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 3i2g_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 TQLITSRSDA 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 0.000 176.122 176.094 0.046 0.000 1.182 2 V CA 0.000 62.318 62.300 0.030 0.000 1.235 2 V CB 0.000 31.835 31.823 0.020 0.000 1.184 3 D N 3.129 123.556 120.400 0.045 0.000 2.488 3 D HA 0.399 5.039 4.640 0.001 0.000 0.238 3 D C 1.269 177.610 176.300 0.068 0.000 1.138 3 D CA 2.001 56.035 54.000 0.057 0.000 0.873 3 D CB 1.424 42.251 40.800 0.045 0.000 1.183 3 D HN 1.256 nan 8.370 nan 0.000 0.458 4 G N 2.534 111.392 108.800 0.097 0.000 2.258 4 G HA2 -0.256 3.704 3.960 0.001 0.000 0.233 4 G HA3 -0.256 3.704 3.960 0.001 0.000 0.233 4 G C 0.433 175.441 174.900 0.181 0.000 1.006 4 G CA -0.308 44.865 45.100 0.121 0.000 0.620 4 G HN 0.504 nan 8.290 nan 0.000 0.511 5 N N 0.464 119.251 118.700 0.145 0.000 2.508 5 N HA 0.718 5.459 4.740 0.001 0.000 0.285 5 N C -0.291 175.358 175.510 0.232 0.000 1.144 5 N CA 0.303 53.423 53.050 0.116 0.000 0.978 5 N CB 1.049 39.553 38.487 0.029 0.000 1.180 5 N HN 0.752 nan 8.380 nan 0.000 0.484 6 Y N -2.705 117.620 120.300 0.043 0.000 2.689 6 Y HA 0.698 5.248 4.550 0.000 0.000 0.333 6 Y C -0.833 175.083 175.900 0.025 0.000 1.208 6 Y CA -1.339 56.790 58.100 0.050 0.000 1.055 6 Y CB 0.632 39.152 38.460 0.101 0.000 1.304 6 Y HN 0.446 nan 8.280 nan 0.000 0.455 7 S N 0.423 116.235 115.700 0.187 0.000 2.599 7 S HA 0.886 5.356 4.470 0.001 0.000 0.294 7 S C -1.740 172.910 174.600 0.084 0.000 1.094 7 S CA -0.736 57.495 58.200 0.051 0.000 0.931 7 S CB 1.808 65.003 63.200 -0.008 0.000 1.093 7 S HN 0.870 nan 8.310 nan 0.000 0.488 8 V N 1.195 121.088 119.914 -0.036 0.000 2.531 8 V HA 0.813 4.933 4.120 0.001 0.000 0.301 8 V C -0.010 175.991 176.094 -0.154 0.000 1.034 8 V CA -0.566 61.616 62.300 -0.196 0.000 0.865 8 V CB 1.152 32.795 31.823 -0.300 0.000 0.995 8 V HN 1.242 nan 8.190 nan 0.000 0.424 9 A N 3.477 126.204 122.820 -0.155 0.000 2.303 9 A HA 0.835 5.155 4.320 0.001 0.000 0.320 9 A C -0.017 177.545 177.584 -0.037 0.000 1.192 9 A CA -0.418 51.577 52.037 -0.070 0.000 0.821 9 A CB 1.134 20.111 19.000 -0.039 0.000 1.188 9 A HN 0.718 nan 8.150 nan 0.000 0.492 10 S N 2.110 117.825 115.700 0.024 0.000 2.525 10 S HA 0.475 4.945 4.470 0.001 0.000 0.290 10 S C 0.143 174.805 174.600 0.103 0.000 1.152 10 S CA -0.621 57.652 58.200 0.122 0.000 1.072 10 S CB 0.700 64.029 63.200 0.215 0.000 1.027 10 S HN 0.747 nan 8.310 nan 0.000 0.500 11 N N 0.217 118.959 118.700 0.071 0.000 2.754 11 N HA -0.129 4.612 4.740 0.001 0.000 0.248 11 N C -0.705 174.806 175.510 0.002 0.000 1.093 11 N CA 0.298 53.352 53.050 0.008 0.000 0.699 11 N CB -1.589 36.926 38.487 0.047 0.000 1.016 11 N HN 0.398 nan 8.380 nan 0.000 0.552 12 V N 1.464 121.381 119.914 0.005 0.000 2.446 12 V HA 0.078 4.198 4.120 0.001 0.000 0.276 12 V C 0.978 177.014 176.094 -0.097 0.000 1.030 12 V CA 0.165 62.473 62.300 0.013 0.000 1.033 12 V CB 0.691 32.580 31.823 0.110 0.000 0.993 12 V HN 0.126 nan 8.190 nan 0.000 0.477 13 M N 5.965 125.512 119.600 -0.088 0.000 2.120 13 M HA 0.361 4.842 4.480 0.001 0.000 0.354 13 M C -0.529 175.613 176.300 -0.263 0.000 1.287 13 M CA -0.249 54.962 55.300 -0.148 0.000 1.103 13 M CB 0.950 33.505 32.600 -0.076 0.000 1.623 13 M HN 0.314 nan 8.290 nan 0.000 0.471 14 V N 7.062 126.731 119.914 -0.408 0.000 2.357 14 V HA 0.431 4.552 4.120 0.001 0.000 0.284 14 V C -2.105 173.789 176.094 -0.333 0.000 1.018 14 V CA -1.507 60.404 62.300 -0.648 0.000 0.841 14 V CB 1.721 32.938 31.823 -1.010 0.000 0.991 14 V HN 0.619 nan 8.190 nan 0.000 0.437 15 P HA 0.366 nan 4.420 nan 0.000 0.285 15 P C -0.702 176.563 177.300 -0.058 0.000 1.259 15 P CA -0.443 62.603 63.100 -0.089 0.000 0.794 15 P CB 1.109 32.796 31.700 -0.023 0.000 0.940 16 M N 2.930 122.505 119.600 -0.043 0.000 2.369 16 M HA 0.270 4.751 4.480 0.001 0.000 0.291 16 M C 2.174 178.474 176.300 0.001 0.000 1.178 16 M CA -0.641 54.648 55.300 -0.018 0.000 0.996 16 M CB 0.387 32.973 32.600 -0.022 0.000 1.472 16 M HN 0.425 nan 8.290 nan 0.000 0.496 17 R N 0.863 121.369 120.500 0.009 0.000 2.139 17 R HA -0.191 4.150 4.340 0.001 0.000 0.243 17 R C 0.471 176.775 176.300 0.007 0.000 1.145 17 R CA 2.167 58.275 56.100 0.012 0.000 0.976 17 R CB -0.665 29.643 30.300 0.014 0.000 0.866 17 R HN 0.711 nan 8.270 nan 0.000 0.449 18 D N -0.828 119.573 120.400 0.002 0.000 2.328 18 D HA 0.103 4.743 4.640 0.001 0.000 0.221 18 D C 1.150 177.448 176.300 -0.003 0.000 1.072 18 D CA 0.524 54.524 54.000 -0.000 0.000 0.850 18 D CB 0.398 41.196 40.800 -0.003 0.000 0.922 18 D HN 0.472 nan 8.370 nan 0.000 0.516 19 G N -0.274 108.524 108.800 -0.003 0.000 2.234 19 G HA2 -0.296 3.665 3.960 0.001 0.000 0.260 19 G HA3 -0.296 3.665 3.960 0.001 0.000 0.260 19 G C 0.302 175.193 174.900 -0.015 0.000 0.987 19 G CA 0.282 45.379 45.100 -0.006 0.000 0.625 19 G HN 0.402 nan 8.290 nan 0.000 0.532 20 V N 1.687 121.590 119.914 -0.018 0.000 2.637 20 V HA 0.400 4.521 4.120 0.001 0.000 0.296 20 V C 1.019 177.087 176.094 -0.043 0.000 1.046 20 V CA 0.189 62.473 62.300 -0.026 0.000 1.066 20 V CB 1.145 32.955 31.823 -0.022 0.000 0.968 20 V HN 0.402 nan 8.190 nan 0.000 0.483 21 R N 4.115 124.584 120.500 -0.052 0.000 2.387 21 R HA 0.585 4.925 4.340 0.001 0.000 0.314 21 R C -1.459 174.786 176.300 -0.091 0.000 0.958 21 R CA -0.850 55.202 56.100 -0.080 0.000 0.846 21 R CB 1.428 31.683 30.300 -0.074 0.000 1.147 21 R HN 0.398 nan 8.270 nan 0.000 0.447 22 L N 2.173 123.320 121.223 -0.126 0.000 2.317 22 L HA 0.475 4.815 4.340 0.001 0.000 0.281 22 L C 0.141 176.911 176.870 -0.166 0.000 1.024 22 L CA -0.286 54.479 54.840 -0.125 0.000 0.810 22 L CB 1.752 43.744 42.059 -0.113 0.000 1.240 22 L HN 0.711 nan 8.230 nan 0.000 0.427 23 A N 3.257 125.993 122.820 -0.141 0.000 2.363 23 A HA 0.689 5.009 4.320 0.001 0.000 0.270 23 A C -0.329 177.161 177.584 -0.155 0.000 1.121 23 A CA -0.331 51.615 52.037 -0.151 0.000 0.800 23 A CB 0.603 19.515 19.000 -0.146 0.000 1.052 23 A HN 0.717 nan 8.150 nan 0.000 0.493 24 V N -0.515 119.315 119.914 -0.139 0.000 3.001 24 V HA 0.770 4.890 4.120 0.001 0.000 0.314 24 V C -1.235 174.849 176.094 -0.015 0.000 1.099 24 V CA -1.079 61.173 62.300 -0.079 0.000 0.989 24 V CB 2.160 33.944 31.823 -0.065 0.000 1.040 24 V HN 0.687 nan 8.190 nan 0.000 0.434 25 D N 2.412 122.842 120.400 0.050 0.000 2.256 25 D HA 0.656 5.296 4.640 0.001 0.000 0.246 25 D C -0.650 175.706 176.300 0.093 0.000 1.042 25 D CA 0.018 54.061 54.000 0.071 0.000 0.841 25 D CB 2.024 42.918 40.800 0.156 0.000 1.223 25 D HN 0.659 nan 8.370 nan 0.000 0.470 26 L N 2.636 123.839 121.223 -0.034 0.000 2.280 26 L HA 0.347 4.687 4.340 0.001 0.000 0.287 26 L C -0.855 175.928 176.870 -0.144 0.000 1.023 26 L CA -0.898 53.907 54.840 -0.057 0.000 0.819 26 L CB 0.554 42.503 42.059 -0.183 0.000 1.212 26 L HN 0.246 nan 8.230 nan 0.000 0.420 27 Y N 3.057 123.371 120.300 0.023 0.000 2.504 27 Y HA 0.448 4.999 4.550 0.000 0.000 0.339 27 Y C 0.173 176.071 175.900 -0.004 0.000 0.974 27 Y CA -0.586 57.564 58.100 0.084 0.000 1.232 27 Y CB 0.728 39.288 38.460 0.167 0.000 1.108 27 Y HN 0.419 nan 8.280 nan 0.000 0.509 28 R N 4.852 125.397 120.500 0.075 0.000 2.437 28 R HA 0.430 4.770 4.340 0.001 0.000 0.310 28 R C -2.774 173.596 176.300 0.117 0.000 0.955 28 R CA -2.080 54.010 56.100 -0.017 0.000 0.851 28 R CB 1.594 31.742 30.300 -0.253 0.000 1.161 28 R HN 0.323 nan 8.270 nan 0.000 0.446 29 P HA 0.021 nan 4.420 nan 0.000 0.274 29 P C -0.860 176.510 177.300 0.117 0.000 1.231 29 P CA -0.358 62.841 63.100 0.164 0.000 0.790 29 P CB 0.617 32.398 31.700 0.134 0.000 0.951 30 D N 0.788 121.259 120.400 0.117 0.000 2.356 30 D HA 0.339 4.980 4.640 0.001 0.000 0.272 30 D C 0.095 176.435 176.300 0.066 0.000 1.337 30 D CA 1.022 55.067 54.000 0.075 0.000 0.970 30 D CB -0.491 40.346 40.800 0.062 0.000 1.092 30 D HN 0.342 nan 8.370 nan 0.000 0.516 31 A N 2.636 125.493 122.820 0.061 0.000 2.475 31 A HA 0.356 4.676 4.320 0.001 0.000 0.301 31 A C 0.675 178.289 177.584 0.050 0.000 1.059 31 A CA -0.750 51.320 52.037 0.055 0.000 0.710 31 A CB 1.462 20.500 19.000 0.063 0.000 1.288 31 A HN 0.256 nan 8.150 nan 0.000 0.408 32 D N 1.138 121.561 120.400 0.038 0.000 2.117 32 D HA 0.047 4.687 4.640 0.001 0.000 0.198 32 D C 1.173 177.494 176.300 0.035 0.000 0.982 32 D CA 2.242 56.261 54.000 0.032 0.000 0.828 32 D CB 0.229 41.042 40.800 0.022 0.000 0.967 32 D HN 0.702 nan 8.370 nan 0.000 0.464 33 G N -0.010 108.811 108.800 0.035 0.000 3.209 33 G HA2 0.472 4.433 3.960 0.001 0.000 0.236 33 G HA3 0.472 4.433 3.960 0.001 0.000 0.236 33 G C -2.655 172.278 174.900 0.056 0.000 1.329 33 G CA -0.752 44.369 45.100 0.036 0.000 1.015 33 G HN -0.109 nan 8.290 nan 0.000 0.571 34 P HA 0.415 nan 4.420 nan 0.000 0.276 34 P C -0.365 176.968 177.300 0.054 0.000 1.244 34 P CA -0.168 62.971 63.100 0.065 0.000 0.801 34 P CB 1.645 33.348 31.700 0.006 0.000 1.006 35 V N -3.334 116.635 119.914 0.092 0.000 3.102 35 V HA 0.664 4.784 4.120 0.001 0.000 0.312 35 V C -2.759 173.365 176.094 0.049 0.000 1.135 35 V CA -3.180 59.148 62.300 0.046 0.000 1.022 35 V CB 1.546 33.409 31.823 0.067 0.000 1.056 35 V HN 0.368 nan 8.190 nan 0.000 0.436 36 P HA 0.321 nan 4.420 nan 0.000 0.271 36 P C -0.821 176.587 177.300 0.181 0.000 1.218 36 P CA 0.030 63.147 63.100 0.029 0.000 0.780 36 P CB 1.302 32.955 31.700 -0.079 0.000 0.901 37 V N 3.535 123.567 119.914 0.197 0.000 2.735 37 V HA 0.422 4.542 4.120 0.001 0.000 0.310 37 V C 0.210 176.377 176.094 0.122 0.000 1.061 37 V CA -0.743 61.699 62.300 0.237 0.000 0.913 37 V CB 1.878 33.868 31.823 0.278 0.000 1.005 37 V HN 0.344 nan 8.190 nan 0.000 0.428 38 L N 4.733 126.024 121.223 0.113 0.000 2.333 38 L HA 0.632 4.973 4.340 0.001 0.000 0.280 38 L C -0.923 175.974 176.870 0.045 0.000 1.004 38 L CA -0.616 54.231 54.840 0.011 0.000 0.820 38 L CB 1.807 43.873 42.059 0.012 0.000 1.247 38 L HN 0.457 nan 8.230 nan 0.000 0.416 39 L N 4.399 125.599 121.223 -0.038 0.000 2.329 39 L HA 0.728 5.068 4.340 0.001 0.000 0.279 39 L C -0.886 175.816 176.870 -0.280 0.000 1.014 39 L CA -0.289 54.498 54.840 -0.089 0.000 0.814 39 L CB 1.930 43.975 42.059 -0.022 0.000 1.257 39 L HN 0.297 nan 8.230 nan 0.000 0.424 40 V N 5.528 125.225 119.914 -0.361 0.000 2.483 40 V HA 0.568 4.688 4.120 0.001 0.000 0.297 40 V C -0.367 175.506 176.094 -0.368 0.000 1.027 40 V CA -0.648 61.326 62.300 -0.542 0.000 0.855 40 V CB 1.685 32.995 31.823 -0.855 0.000 0.995 40 V HN 0.693 nan 8.190 nan 0.000 0.424 41 R N 3.721 124.037 120.500 -0.306 0.000 2.246 41 R HA 0.465 4.805 4.340 0.001 0.000 0.332 41 R C -0.479 175.710 176.300 -0.184 0.000 0.974 41 R CA -0.289 55.699 56.100 -0.185 0.000 0.837 41 R CB 1.487 31.735 30.300 -0.086 0.000 1.145 41 R HN 0.781 nan 8.270 nan 0.000 0.467 42 N N 3.766 122.338 118.700 -0.215 0.000 2.346 42 N HA 0.291 5.031 4.740 0.001 0.000 0.289 42 N C -2.154 173.168 175.510 -0.313 0.000 1.027 42 N CA -1.993 50.882 53.050 -0.290 0.000 0.864 42 N CB 2.084 40.350 38.487 -0.368 0.000 1.370 42 N HN 0.231 nan 8.380 nan 0.000 0.481 43 P HA 0.140 nan 4.420 nan 0.000 0.262 43 P C -0.706 176.215 177.300 -0.631 0.000 1.304 43 P CA 0.265 62.933 63.100 -0.720 0.000 0.859 43 P CB -0.089 30.919 31.700 -1.153 0.000 1.310 44 Y N -0.075 120.158 120.300 -0.113 0.000 2.720 44 Y HA 0.401 4.951 4.550 0.000 0.000 0.268 44 Y C 0.039 175.716 175.900 -0.372 0.000 1.142 44 Y CA -1.302 56.753 58.100 -0.075 0.000 1.193 44 Y CB -0.368 38.091 38.460 -0.001 0.000 1.176 44 Y HN -0.092 nan 8.280 nan 0.000 0.542 45 D N 1.455 121.506 120.400 -0.581 0.000 4.704 45 D HA -0.180 4.460 4.640 0.001 0.000 0.225 45 D C 0.844 176.934 176.300 -0.349 0.000 1.436 45 D CA 0.637 54.058 54.000 -0.965 0.000 1.085 45 D CB 0.314 40.149 40.800 -1.609 0.000 0.518 45 D HN 0.605 nan 8.370 nan 0.000 0.246 46 K N 2.312 122.544 120.400 -0.279 0.000 2.218 46 K HA -0.190 4.130 4.320 0.001 0.000 0.205 46 K C 1.818 178.483 176.600 0.108 0.000 1.046 46 K CA 1.154 57.391 56.287 -0.083 0.000 0.933 46 K CB -0.282 32.139 32.500 -0.132 0.000 0.728 46 K HN 0.284 nan 8.250 nan 0.000 0.454 47 F N 2.266 122.180 119.950 -0.060 0.000 2.186 47 F HA -0.063 4.465 4.527 0.000 0.000 0.299 47 F C 1.105 176.861 175.800 -0.073 0.000 1.090 47 F CA 0.564 58.536 58.000 -0.046 0.000 1.307 47 F CB -0.695 38.251 39.000 -0.090 0.000 1.019 47 F HN 0.097 nan 8.300 nan 0.000 0.489 48 D N 0.830 121.293 120.400 0.106 0.000 2.608 48 D HA 0.082 4.722 4.640 0.001 0.000 0.224 48 D C 1.430 177.790 176.300 0.100 0.000 1.123 48 D CA 0.089 54.107 54.000 0.029 0.000 1.030 48 D CB 0.255 41.064 40.800 0.014 0.000 1.093 48 D HN 0.104 nan 8.370 nan 0.000 0.497 49 V N 0.298 120.193 119.914 -0.031 0.000 2.719 49 V HA -0.079 4.042 4.120 0.001 0.000 0.252 49 V C 1.841 177.838 176.094 -0.162 0.000 1.065 49 V CA 0.769 63.069 62.300 0.001 0.000 1.086 49 V CB -0.942 30.951 31.823 0.116 0.000 0.700 49 V HN 0.146 nan 8.190 nan 0.000 0.467 50 F N 1.980 121.866 119.950 -0.105 0.000 2.293 50 F HA 0.254 4.781 4.527 0.000 0.000 0.300 50 F C 2.684 178.399 175.800 -0.141 0.000 1.086 50 F CA 0.481 58.387 58.000 -0.157 0.000 1.375 50 F CB -1.482 37.462 39.000 -0.095 0.000 1.045 50 F HN 0.265 nan 8.300 nan 0.000 0.516 51 A N 0.884 123.775 122.820 0.119 0.000 1.883 51 A HA -0.188 4.132 4.320 0.001 0.000 0.217 51 A C 2.108 179.765 177.584 0.122 0.000 1.186 51 A CA 1.860 53.967 52.037 0.118 0.000 0.624 51 A CB -1.252 17.838 19.000 0.151 0.000 0.822 51 A HN 0.642 nan 8.150 nan 0.000 0.444 52 W N -1.603 119.732 121.300 0.059 0.000 2.762 52 W HA 0.221 4.881 4.660 0.000 0.000 0.265 52 W C 1.396 177.938 176.519 0.037 0.000 1.263 52 W CA 0.755 58.116 57.345 0.026 0.000 1.411 52 W CB -0.924 28.571 29.460 0.059 0.000 1.065 52 W HN 0.250 nan 8.180 nan 0.000 0.609 53 S N 1.751 117.066 115.700 -0.641 0.000 2.402 53 S HA -0.198 4.272 4.470 0.001 0.000 0.229 53 S C 1.953 176.403 174.600 -0.249 0.000 1.021 53 S CA 2.482 60.292 58.200 -0.650 0.000 0.974 53 S CB -0.772 62.028 63.200 -0.666 0.000 0.800 53 S HN 0.443 nan 8.310 nan 0.000 0.484 54 T N -0.225 114.206 114.554 -0.206 0.000 2.977 54 T HA -0.061 4.289 4.350 0.001 0.000 0.271 54 T C 1.078 175.634 174.700 -0.240 0.000 1.105 54 T CA 0.886 62.880 62.100 -0.178 0.000 1.116 54 T CB -0.276 68.498 68.868 -0.156 0.000 0.878 54 T HN 0.206 nan 8.240 nan 0.000 0.509 55 Q N 0.126 119.762 119.800 -0.272 0.000 2.211 55 Q HA 0.529 4.870 4.340 0.001 0.000 0.231 55 Q C 1.200 176.901 176.000 -0.498 0.000 0.865 55 Q CA -0.186 55.297 55.803 -0.532 0.000 0.997 55 Q CB 0.825 29.332 28.738 -0.386 0.000 1.101 55 Q HN 0.492 nan 8.270 nan 0.000 0.468 56 S N -1.193 114.378 115.700 -0.215 0.000 4.406 56 S HA 0.445 4.915 4.470 0.001 0.000 0.160 56 S C -0.446 174.247 174.600 0.154 0.000 0.981 56 S CA 0.541 58.785 58.200 0.074 0.000 1.170 56 S CB 0.328 63.752 63.200 0.374 0.000 1.909 56 S HN 0.315 nan 8.310 nan 0.000 0.836 57 T N 0.946 115.564 114.554 0.108 0.000 2.885 57 T HA 0.505 4.855 4.350 0.001 0.000 0.322 57 T C -1.727 172.891 174.700 -0.136 0.000 1.387 57 T CA -0.844 61.235 62.100 -0.036 0.000 1.041 57 T CB 1.075 69.857 68.868 -0.143 0.000 1.287 57 T HN 0.222 nan 8.240 nan 0.000 0.491 58 N N 2.638 121.162 118.700 -0.292 0.000 2.971 58 N HA 0.081 4.821 4.740 0.001 0.000 0.294 58 N C 1.076 176.170 175.510 -0.693 0.000 1.210 58 N CA -0.392 52.387 53.050 -0.453 0.000 1.157 58 N CB -0.041 38.236 38.487 -0.350 0.000 1.450 58 N HN 0.804 nan 8.380 nan 0.000 0.527 59 W N 0.310 121.207 121.300 -0.671 0.000 2.825 59 W HA 0.061 4.721 4.660 0.000 0.000 0.243 59 W C 0.531 176.660 176.519 -0.650 0.000 1.293 59 W CA -0.265 56.452 57.345 -1.045 0.000 1.403 59 W CB -0.632 28.544 29.460 -0.473 0.000 1.134 59 W HN 0.204 nan 8.180 nan 0.000 0.666 60 L N 1.154 121.885 121.223 -0.820 0.000 2.265 60 L HA -0.186 4.154 4.340 0.001 0.000 0.215 60 L C 2.726 179.408 176.870 -0.313 0.000 1.117 60 L CA 1.765 56.263 54.840 -0.569 0.000 0.782 60 L CB -0.715 41.000 42.059 -0.574 0.000 0.914 60 L HN 0.058 nan 8.230 nan 0.000 0.441 61 E N 0.284 120.269 120.200 -0.359 0.000 2.153 61 E HA -0.219 4.131 4.350 0.001 0.000 0.194 61 E C 2.068 178.684 176.600 0.026 0.000 0.988 61 E CA 1.193 57.481 56.400 -0.186 0.000 0.811 61 E CB 0.055 29.611 29.700 -0.240 0.000 0.746 61 E HN 0.353 nan 8.360 nan 0.000 0.466 62 F N 0.207 120.178 119.950 0.035 0.000 2.134 62 F HA -0.149 4.378 4.527 0.001 0.000 0.299 62 F C 2.314 178.243 175.800 0.214 0.000 1.097 62 F CA 0.635 58.702 58.000 0.110 0.000 1.264 62 F CB -1.131 37.837 39.000 -0.054 0.000 1.001 62 F HN -0.034 nan 8.300 nan 0.000 0.479 63 V N 0.252 120.316 119.914 0.250 0.000 2.358 63 V HA -0.237 3.884 4.120 0.001 0.000 0.246 63 V C 2.386 178.528 176.094 0.080 0.000 1.047 63 V CA 1.683 64.041 62.300 0.098 0.000 1.035 63 V CB -0.756 30.931 31.823 -0.228 0.000 0.658 63 V HN 0.217 nan 8.190 nan 0.000 0.452 64 R N 0.117 120.652 120.500 0.058 0.000 2.152 64 R HA -0.164 4.176 4.340 0.001 0.000 0.232 64 R C 1.719 178.104 176.300 0.143 0.000 1.117 64 R CA 1.562 57.740 56.100 0.130 0.000 0.981 64 R CB -0.277 30.085 30.300 0.104 0.000 0.870 64 R HN 0.491 nan 8.270 nan 0.000 0.451 65 D N -1.196 119.316 120.400 0.186 0.000 2.339 65 D HA 0.060 4.700 4.640 0.001 0.000 0.217 65 D C 0.640 177.031 176.300 0.153 0.000 1.050 65 D CA 0.707 54.824 54.000 0.194 0.000 0.856 65 D CB 0.497 41.467 40.800 0.283 0.000 0.922 65 D HN 0.310 nan 8.370 nan 0.000 0.518 66 G N -0.470 108.418 108.800 0.148 0.000 2.138 66 G HA2 -0.250 3.711 3.960 0.001 0.000 0.193 66 G HA3 -0.250 3.711 3.960 0.001 0.000 0.193 66 G C -0.250 174.638 174.900 -0.019 0.000 0.998 66 G CA -0.275 44.854 45.100 0.049 0.000 0.668 66 G HN 0.281 nan 8.290 nan 0.000 0.516 67 Y N 0.922 121.295 120.300 0.121 0.000 2.310 67 Y HA 0.628 5.179 4.550 0.001 0.000 0.326 67 Y C 0.887 176.868 175.900 0.135 0.000 1.151 67 Y CA 0.096 58.265 58.100 0.115 0.000 1.195 67 Y CB 1.490 40.012 38.460 0.104 0.000 1.210 67 Y HN 0.425 nan 8.280 nan 0.000 0.483 68 A N 2.508 125.506 122.820 0.298 0.000 2.354 68 A HA 0.645 4.965 4.320 0.001 0.000 0.269 68 A C -0.936 176.817 177.584 0.282 0.000 1.109 68 A CA -0.501 51.684 52.037 0.247 0.000 0.800 68 A CB 0.352 19.490 19.000 0.229 0.000 1.045 68 A HN 0.536 nan 8.150 nan 0.000 0.489 69 V N 2.870 122.943 119.914 0.265 0.000 2.487 69 V HA 0.427 4.548 4.120 0.001 0.000 0.298 69 V C -0.553 175.683 176.094 0.236 0.000 1.028 69 V CA -0.445 61.988 62.300 0.223 0.000 0.860 69 V CB 1.730 33.644 31.823 0.150 0.000 0.991 69 V HN 0.649 nan 8.190 nan 0.000 0.427 70 V N 6.499 126.511 119.914 0.162 0.000 2.409 70 V HA 0.540 4.660 4.120 0.001 0.000 0.291 70 V C -0.279 175.839 176.094 0.039 0.000 1.020 70 V CA -0.386 62.022 62.300 0.180 0.000 0.848 70 V CB 1.622 33.602 31.823 0.262 0.000 0.990 70 V HN 0.680 nan 8.190 nan 0.000 0.430 71 I N 4.556 125.170 120.570 0.074 0.000 2.378 71 I HA 0.530 4.700 4.170 0.001 0.000 0.291 71 I C -0.206 175.889 176.117 -0.037 0.000 0.992 71 I CA -0.379 60.901 61.300 -0.034 0.000 1.154 71 I CB 1.722 39.730 38.000 0.014 0.000 1.315 71 I HN 0.617 nan 8.210 nan 0.000 0.448 72 Q N 4.875 124.612 119.800 -0.105 0.000 2.337 72 Q HA 0.281 4.621 4.340 0.001 0.000 0.266 72 Q C -1.321 174.600 176.000 -0.133 0.000 1.023 72 Q CA -0.863 54.875 55.803 -0.109 0.000 0.829 72 Q CB 1.953 30.634 28.738 -0.095 0.000 1.306 72 Q HN 0.482 nan 8.270 nan 0.000 0.449 73 D N 3.090 123.409 120.400 -0.135 0.000 2.383 73 D HA 0.067 4.707 4.640 0.001 0.000 0.252 73 D C -0.008 176.246 176.300 -0.077 0.000 1.166 73 D CA 0.294 54.225 54.000 -0.115 0.000 0.879 73 D CB 1.170 41.912 40.800 -0.098 0.000 1.164 73 D HN 0.627 nan 8.370 nan 0.000 0.462 74 T N 0.130 114.647 114.554 -0.060 0.000 2.802 74 T HA 0.054 4.405 4.350 0.001 0.000 0.305 74 T C 0.738 175.462 174.700 0.040 0.000 1.053 74 T CA -0.831 61.279 62.100 0.017 0.000 1.058 74 T CB 0.843 69.772 68.868 0.102 0.000 0.988 74 T HN 0.354 nan 8.240 nan 0.000 0.539 75 R N 0.465 121.011 120.500 0.077 0.000 2.494 75 R HA 0.244 4.585 4.340 0.001 0.000 0.291 75 R C 1.531 177.898 176.300 0.111 0.000 0.953 75 R CA 1.357 57.495 56.100 0.063 0.000 1.098 75 R CB -0.893 29.435 30.300 0.047 0.000 0.911 75 R HN 1.228 nan 8.270 nan 0.000 0.407 76 G N 3.303 112.126 108.800 0.037 0.000 2.179 76 G HA2 -0.271 3.689 3.960 0.001 0.000 0.260 76 G HA3 -0.271 3.689 3.960 0.001 0.000 0.260 76 G C -0.174 174.687 174.900 -0.064 0.000 0.977 76 G CA 0.240 45.353 45.100 0.022 0.000 0.641 76 G HN 0.497 nan 8.290 nan 0.000 0.533 77 L N -0.992 120.167 121.223 -0.107 0.000 2.354 77 L HA 0.756 5.097 4.340 0.001 0.000 0.269 77 L C 1.478 178.296 176.870 -0.087 0.000 1.005 77 L CA -1.202 53.500 54.840 -0.231 0.000 0.819 77 L CB 1.114 42.989 42.059 -0.307 0.000 1.311 77 L HN 0.091 nan 8.230 nan 0.000 0.423 78 F N 0.885 120.733 119.950 -0.170 0.000 2.484 78 F HA -0.458 4.070 4.527 0.001 0.000 0.231 78 F C 1.771 177.486 175.800 -0.142 0.000 1.469 78 F CA 1.825 59.735 58.000 -0.150 0.000 1.998 78 F CB -1.332 37.562 39.000 -0.177 0.000 0.484 78 F HN 0.542 nan 8.300 nan 0.000 0.213 79 A N -0.166 122.674 122.820 0.033 0.000 2.251 79 A HA 0.409 4.729 4.320 0.001 0.000 0.209 79 A C 0.797 178.342 177.584 -0.064 0.000 1.187 79 A CA 0.914 52.918 52.037 -0.056 0.000 0.823 79 A CB -0.367 18.538 19.000 -0.158 0.000 0.846 79 A HN 0.347 nan 8.150 nan 0.000 0.486 80 S N 0.659 116.325 115.700 -0.057 0.000 2.610 80 S HA 0.332 4.803 4.470 0.001 0.000 0.273 80 S C 0.146 174.717 174.600 -0.049 0.000 1.274 80 S CA -0.498 57.666 58.200 -0.060 0.000 1.023 80 S CB 0.845 64.012 63.200 -0.054 0.000 0.962 80 S HN 0.589 nan 8.310 nan 0.000 0.523 81 E N 0.363 120.536 120.200 -0.045 0.000 2.359 81 E HA 0.595 4.946 4.350 0.001 0.000 0.255 81 E C 0.693 177.277 176.600 -0.026 0.000 1.191 81 E CA -0.266 56.113 56.400 -0.035 0.000 0.952 81 E CB 0.447 30.127 29.700 -0.034 0.000 1.152 81 E HN 0.835 nan 8.360 nan 0.000 0.496 82 G N 0.331 109.118 108.800 -0.021 0.000 2.698 82 G HA2 -0.159 3.802 3.960 0.001 0.000 0.225 82 G HA3 -0.159 3.802 3.960 0.001 0.000 0.225 82 G C -1.151 173.746 174.900 -0.004 0.000 1.345 82 G CA -0.783 44.309 45.100 -0.012 0.000 0.871 82 G HN 0.390 nan 8.290 nan 0.000 0.540 83 E N -0.739 119.461 120.200 0.001 0.000 2.171 83 E HA 0.542 4.892 4.350 0.001 0.000 0.271 83 E C -0.829 175.790 176.600 0.032 0.000 0.916 83 E CA -0.808 55.598 56.400 0.010 0.000 0.774 83 E CB 1.877 31.570 29.700 -0.011 0.000 1.128 83 E HN 0.500 nan 8.360 nan 0.000 0.403 84 F N 2.911 122.799 119.950 -0.102 0.000 2.445 84 F HA 0.276 4.803 4.527 0.000 0.000 0.359 84 F C -0.732 174.985 175.800 -0.138 0.000 1.101 84 F CA -0.486 57.437 58.000 -0.129 0.000 1.177 84 F CB 0.562 39.456 39.000 -0.176 0.000 1.110 84 F HN 0.082 nan 8.300 nan 0.000 0.522 85 V N 7.948 127.352 119.914 -0.850 0.000 2.577 85 V HA 0.338 4.458 4.120 0.001 0.000 0.303 85 V C -2.253 173.114 176.094 -1.211 0.000 1.042 85 V CA -2.081 59.689 62.300 -0.883 0.000 0.872 85 V CB 1.755 33.361 31.823 -0.361 0.000 0.998 85 V HN 0.629 nan 8.190 nan 0.000 0.423 86 P HA 0.106 nan 4.420 nan 0.000 0.262 86 P C 0.342 177.303 177.300 -0.565 0.000 1.182 86 P CA 0.831 63.279 63.100 -1.087 0.000 0.761 86 P CB 0.122 30.931 31.700 -1.484 0.000 0.795 87 H N -0.287 118.786 119.070 0.004 0.000 4.829 87 H HA -0.195 4.362 4.556 0.001 0.000 0.080 87 H C 1.403 176.742 175.328 0.018 0.000 0.582 87 H CA 1.834 57.913 56.048 0.052 0.000 1.075 87 H CB -2.327 27.538 29.762 0.171 0.000 0.466 87 H HN 0.365 nan 8.280 nan 0.000 0.746 88 V N -0.565 119.392 119.914 0.072 0.000 2.594 88 V HA -0.077 4.043 4.120 0.001 0.000 0.253 88 V C 1.622 177.730 176.094 0.024 0.000 1.069 88 V CA 2.565 64.892 62.300 0.046 0.000 1.082 88 V CB -0.058 31.768 31.823 0.005 0.000 0.680 88 V HN 0.285 nan 8.190 nan 0.000 0.469 89 D N -0.291 120.111 120.400 0.004 0.000 2.369 89 D HA 0.051 4.692 4.640 0.001 0.000 0.211 89 D C 1.391 177.711 176.300 0.033 0.000 1.077 89 D CA 0.480 54.485 54.000 0.009 0.000 0.842 89 D CB 0.242 41.035 40.800 -0.012 0.000 0.947 89 D HN 0.513 nan 8.370 nan 0.000 0.509 90 D N 1.168 121.603 120.400 0.057 0.000 2.183 90 D HA -0.081 4.559 4.640 0.001 0.000 0.203 90 D C 1.701 178.031 176.300 0.050 0.000 0.969 90 D CA 0.565 54.604 54.000 0.065 0.000 0.842 90 D CB 0.374 41.227 40.800 0.088 0.000 0.957 90 D HN 0.355 nan 8.370 nan 0.000 0.484 91 E N 1.016 121.248 120.200 0.052 0.000 2.038 91 E HA -0.157 4.193 4.350 0.001 0.000 0.195 91 E C 2.148 178.770 176.600 0.036 0.000 1.000 91 E CA 1.095 57.523 56.400 0.047 0.000 0.803 91 E CB 0.006 29.736 29.700 0.050 0.000 0.750 91 E HN 0.147 nan 8.360 nan 0.000 0.448 92 A N 1.469 124.308 122.820 0.031 0.000 1.873 92 A HA -0.202 4.118 4.320 0.001 0.000 0.215 92 A C 1.726 179.323 177.584 0.022 0.000 1.186 92 A CA 1.751 53.803 52.037 0.025 0.000 0.616 92 A CB -0.390 18.621 19.000 0.019 0.000 0.823 92 A HN 0.108 nan 8.150 nan 0.000 0.442 93 D N 0.138 120.550 120.400 0.020 0.000 2.144 93 D HA -0.033 4.607 4.640 0.001 0.000 0.199 93 D C 2.203 178.512 176.300 0.015 0.000 0.984 93 D CA 1.478 55.486 54.000 0.013 0.000 0.834 93 D CB -0.400 40.407 40.800 0.012 0.000 0.955 93 D HN 0.418 nan 8.370 nan 0.000 0.465 94 A N 0.808 123.641 122.820 0.021 0.000 1.873 94 A HA -0.211 4.110 4.320 0.001 0.000 0.215 94 A C 2.125 179.726 177.584 0.029 0.000 1.186 94 A CA 1.771 53.819 52.037 0.019 0.000 0.616 94 A CB -0.629 18.380 19.000 0.015 0.000 0.823 94 A HN 0.260 nan 8.150 nan 0.000 0.442 95 E N -0.164 120.054 120.200 0.030 0.000 2.049 95 E HA -0.276 4.074 4.350 0.001 0.000 0.198 95 E C 1.364 177.991 176.600 0.044 0.000 1.007 95 E CA 1.639 58.059 56.400 0.034 0.000 0.809 95 E CB -0.178 29.540 29.700 0.030 0.000 0.749 95 E HN 0.526 nan 8.360 nan 0.000 0.450 96 D N -0.501 119.924 120.400 0.042 0.000 2.144 96 D HA -0.120 4.521 4.640 0.001 0.000 0.199 96 D C 1.923 178.278 176.300 0.092 0.000 0.984 96 D CA 1.525 55.559 54.000 0.056 0.000 0.834 96 D CB -0.427 40.392 40.800 0.033 0.000 0.955 96 D HN 0.211 nan 8.370 nan 0.000 0.465 97 T N 0.789 115.387 114.554 0.074 0.000 2.812 97 T HA 0.004 4.355 4.350 0.001 0.000 0.264 97 T C 2.236 177.046 174.700 0.183 0.000 1.042 97 T CA 0.374 62.541 62.100 0.112 0.000 1.140 97 T CB -0.147 68.748 68.868 0.045 0.000 0.870 97 T HN 0.104 nan 8.240 nan 0.000 0.445 98 L N 0.992 122.281 121.223 0.109 0.000 2.046 98 L HA -0.114 4.226 4.340 0.001 0.000 0.208 98 L C 2.863 179.778 176.870 0.075 0.000 1.077 98 L CA 1.009 55.900 54.840 0.085 0.000 0.747 98 L CB -0.731 41.355 42.059 0.044 0.000 0.896 98 L HN 0.225 nan 8.230 nan 0.000 0.432 99 S N -0.843 114.905 115.700 0.080 0.000 2.359 99 S HA -0.260 4.210 4.470 0.001 0.000 0.224 99 S C 1.535 176.174 174.600 0.064 0.000 1.035 99 S CA 1.673 59.905 58.200 0.054 0.000 1.018 99 S CB -0.596 62.640 63.200 0.060 0.000 0.876 99 S HN 0.562 nan 8.310 nan 0.000 0.448 100 W N 2.231 123.506 121.300 -0.043 0.000 2.335 100 W HA -0.141 4.520 4.660 0.001 0.000 0.311 100 W C 1.787 178.243 176.519 -0.105 0.000 1.213 100 W CA 1.299 58.613 57.345 -0.051 0.000 1.274 100 W CB -0.511 28.941 29.460 -0.014 0.000 1.148 100 W HN 0.190 nan 8.180 nan 0.000 0.498 101 I N 0.396 121.015 120.570 0.082 0.000 2.163 101 I HA -0.371 3.799 4.170 0.001 0.000 0.243 101 I C 2.470 178.318 176.117 -0.447 0.000 1.085 101 I CA 1.571 62.728 61.300 -0.238 0.000 1.347 101 I CB -0.855 37.186 38.000 0.068 0.000 1.044 101 I HN 0.011 nan 8.210 nan 0.000 0.408 102 L N 0.214 121.295 121.223 -0.237 0.000 2.187 102 L HA -0.216 4.124 4.340 0.001 0.000 0.213 102 L C 2.111 178.800 176.870 -0.302 0.000 1.100 102 L CA 1.328 56.032 54.840 -0.226 0.000 0.765 102 L CB -0.438 41.551 42.059 -0.117 0.000 0.904 102 L HN 0.304 nan 8.230 nan 0.000 0.437 103 E N -1.016 118.963 120.200 -0.368 0.000 2.489 103 E HA -0.023 4.327 4.350 0.001 0.000 0.193 103 E C 0.316 176.603 176.600 -0.521 0.000 1.057 103 E CA -0.128 56.051 56.400 -0.368 0.000 0.866 103 E CB 0.300 29.821 29.700 -0.298 0.000 0.916 103 E HN 0.402 nan 8.360 nan 0.000 0.500 104 Q N -0.238 119.087 119.800 -0.791 0.000 2.306 104 Q HA 0.218 4.559 4.340 0.001 0.000 0.241 104 Q C 0.851 176.401 176.000 -0.750 0.000 0.948 104 Q CA -0.024 55.181 55.803 -0.997 0.000 0.886 104 Q CB 1.201 28.857 28.738 -1.803 0.000 1.227 104 Q HN 0.083 nan 8.270 nan 0.000 0.457 105 A N 2.464 124.963 122.820 -0.535 0.000 2.019 105 A HA -0.122 4.198 4.320 0.001 0.000 0.219 105 A C 1.306 178.796 177.584 -0.157 0.000 1.164 105 A CA 1.214 53.106 52.037 -0.242 0.000 0.644 105 A CB -0.525 18.435 19.000 -0.067 0.000 0.805 105 A HN 0.865 nan 8.150 nan 0.000 0.449 106 W N -2.388 118.867 121.300 -0.076 0.000 3.290 106 W HA 0.357 5.017 4.660 0.000 0.000 0.287 106 W C 0.336 176.830 176.519 -0.041 0.000 1.288 106 W CA -0.553 56.768 57.345 -0.041 0.000 1.725 106 W CB -1.332 28.121 29.460 -0.013 0.000 1.103 106 W HN 0.266 nan 8.180 nan 0.000 0.670 107 C N 5.417 124.512 119.300 -0.342 0.000 2.307 107 C HA 0.164 4.625 4.460 0.001 0.000 0.340 107 C C 1.510 176.417 174.990 -0.137 0.000 1.275 107 C CA -0.351 58.529 59.018 -0.229 0.000 1.811 107 C CB 0.320 27.785 27.740 -0.458 0.000 2.372 107 C HN 0.374 nan 8.230 nan 0.000 0.531 108 D N 2.437 122.805 120.400 -0.053 0.000 2.319 108 D HA 0.188 4.828 4.640 0.001 0.000 0.230 108 D C 1.373 177.641 176.300 -0.053 0.000 1.094 108 D CA 0.681 54.653 54.000 -0.047 0.000 0.856 108 D CB -0.253 40.532 40.800 -0.024 0.000 0.915 108 D HN 1.198 nan 8.370 nan 0.000 0.517 109 G N 0.067 108.824 108.800 -0.071 0.000 2.175 109 G HA2 -0.246 3.714 3.960 0.001 0.000 0.244 109 G HA3 -0.246 3.714 3.960 0.001 0.000 0.244 109 G C -0.175 174.706 174.900 -0.032 0.000 0.982 109 G CA -0.165 44.900 45.100 -0.059 0.000 0.641 109 G HN 0.459 nan 8.290 nan 0.000 0.527 110 N N 0.303 118.993 118.700 -0.016 0.000 2.446 110 N HA 0.529 5.270 4.740 0.001 0.000 0.265 110 N C -0.709 174.815 175.510 0.023 0.000 0.975 110 N CA -0.240 52.816 53.050 0.008 0.000 0.928 110 N CB 2.641 41.142 38.487 0.022 0.000 1.160 110 N HN 0.094 nan 8.380 nan 0.000 0.495 111 V N 0.616 120.540 119.914 0.016 0.000 2.680 111 V HA 0.785 4.905 4.120 0.001 0.000 0.309 111 V C 0.592 176.682 176.094 -0.006 0.000 1.052 111 V CA -0.690 61.619 62.300 0.015 0.000 0.908 111 V CB 1.889 33.721 31.823 0.015 0.000 1.001 111 V HN 0.770 nan 8.190 nan 0.000 0.431 112 G N 2.996 111.757 108.800 -0.064 0.000 2.818 112 G HA2 0.863 4.823 3.960 0.001 0.000 0.286 112 G HA3 0.863 4.823 3.960 0.001 0.000 0.286 112 G C -1.330 173.519 174.900 -0.085 0.000 1.364 112 G CA -0.818 44.221 45.100 -0.102 0.000 0.938 112 G HN 0.519 nan 8.290 nan 0.000 0.490 113 M N -0.187 119.430 119.600 0.028 0.000 2.531 113 M HA 0.593 5.074 4.480 0.001 0.000 0.286 113 M C -1.429 175.060 176.300 0.314 0.000 1.232 113 M CA -0.571 54.755 55.300 0.044 0.000 0.877 113 M CB 2.855 35.424 32.600 -0.051 0.000 1.726 113 M HN 0.656 nan 8.290 nan 0.000 0.463 114 F N -0.725 119.265 119.950 0.066 0.000 2.662 114 F HA 1.016 5.543 4.527 0.001 0.000 0.312 114 F C -0.446 175.367 175.800 0.022 0.000 1.113 114 F CA -0.795 57.313 58.000 0.180 0.000 0.951 114 F CB 1.516 40.768 39.000 0.420 0.000 1.344 114 F HN 0.809 nan 8.300 nan 0.000 0.462 115 G N 0.046 108.915 108.800 0.116 0.000 2.347 115 G HA2 0.456 4.417 3.960 0.001 0.000 0.321 115 G HA3 0.456 4.417 3.960 0.001 0.000 0.321 115 G C -2.672 172.221 174.900 -0.011 0.000 1.412 115 G CA -0.269 44.782 45.100 -0.082 0.000 0.990 115 G HN 1.457 nan 8.290 nan 0.000 0.637 116 V N 0.336 120.238 119.914 -0.021 0.000 2.581 116 V HA 0.811 4.931 4.120 0.001 0.000 0.303 116 V C 1.181 177.258 176.094 -0.028 0.000 1.041 116 V CA 1.882 64.171 62.300 -0.018 0.000 0.907 116 V CB 1.080 32.900 31.823 -0.005 0.000 0.994 116 V HN 2.880 nan 8.190 nan 0.000 0.442 117 S N 4.541 120.190 115.700 -0.086 0.000 4.141 117 S HA -0.354 4.116 4.470 0.001 0.000 0.622 117 S C 0.975 175.555 174.600 -0.033 0.000 1.894 117 S CA 1.870 60.035 58.200 -0.057 0.000 4.238 117 S CB -1.764 61.611 63.200 0.293 0.000 0.205 117 S HN 1.363 nan 8.310 nan 0.000 0.486 118 Y N 1.942 122.300 120.300 0.096 0.000 2.274 118 Y HA 0.076 4.626 4.550 0.001 0.000 0.290 118 Y C 1.926 177.820 175.900 -0.010 0.000 1.145 118 Y CA 2.127 60.294 58.100 0.110 0.000 1.203 118 Y CB -0.242 38.362 38.460 0.240 0.000 0.984 118 Y HN 0.406 nan 8.280 nan 0.000 0.533 119 L N -0.792 120.487 121.223 0.094 0.000 2.551 119 L HA 0.035 4.375 4.340 0.001 0.000 0.228 119 L C 2.325 179.095 176.870 -0.168 0.000 1.153 119 L CA 1.413 56.172 54.840 -0.134 0.000 0.851 119 L CB -0.992 40.840 42.059 -0.378 0.000 0.959 119 L HN 0.278 nan 8.230 nan 0.000 0.451 120 G N -1.744 106.979 108.800 -0.130 0.000 2.641 120 G HA2 0.004 3.964 3.960 0.001 0.000 0.207 120 G HA3 0.004 3.964 3.960 0.001 0.000 0.207 120 G C 1.482 176.302 174.900 -0.133 0.000 1.137 120 G CA 0.439 45.448 45.100 -0.152 0.000 0.824 120 G HN 0.110 nan 8.290 nan 0.000 0.547 121 V N 2.454 122.302 119.914 -0.110 0.000 2.332 121 V HA -0.224 3.896 4.120 0.001 0.000 0.248 121 V C 3.335 179.408 176.094 -0.036 0.000 1.055 121 V CA 2.555 64.838 62.300 -0.030 0.000 1.038 121 V CB -1.148 30.579 31.823 -0.159 0.000 0.651 121 V HN 0.621 nan 8.190 nan 0.000 0.450 122 T N -1.830 112.647 114.554 -0.129 0.000 2.929 122 T HA -0.252 4.098 4.350 0.001 0.000 0.271 122 T C 1.685 176.342 174.700 -0.073 0.000 1.085 122 T CA 1.511 63.561 62.100 -0.084 0.000 1.125 122 T CB -0.326 68.501 68.868 -0.068 0.000 0.874 122 T HN 0.598 nan 8.240 nan 0.000 0.494 123 Q N -0.135 119.576 119.800 -0.148 0.000 2.123 123 Q HA 0.022 4.362 4.340 0.001 0.000 0.199 123 Q C 2.000 177.877 176.000 -0.204 0.000 0.966 123 Q CA 1.250 56.919 55.803 -0.223 0.000 0.845 123 Q CB -0.286 28.238 28.738 -0.357 0.000 0.907 123 Q HN 0.704 nan 8.270 nan 0.000 0.439 124 W N 1.540 122.833 121.300 -0.013 0.000 2.363 124 W HA -0.165 4.495 4.660 0.000 0.000 0.296 124 W C 2.246 178.763 176.519 -0.002 0.000 1.212 124 W CA 0.659 58.003 57.345 -0.001 0.000 1.260 124 W CB 0.031 29.494 29.460 0.006 0.000 1.131 124 W HN 0.199 nan 8.180 nan 0.000 0.530 125 Q N -0.142 119.773 119.800 0.192 0.000 2.224 125 Q HA -0.120 4.220 4.340 0.001 0.000 0.203 125 Q C 2.381 178.428 176.000 0.077 0.000 0.970 125 Q CA 1.403 57.276 55.803 0.116 0.000 0.865 125 Q CB -0.439 28.345 28.738 0.076 0.000 0.922 125 Q HN 0.332 nan 8.270 nan 0.000 0.445 126 A N 0.969 123.816 122.820 0.045 0.000 1.898 126 A HA 0.055 4.376 4.320 0.001 0.000 0.214 126 A C 2.263 179.869 177.584 0.037 0.000 1.183 126 A CA 1.162 53.213 52.037 0.024 0.000 0.622 126 A CB -0.527 18.466 19.000 -0.013 0.000 0.824 126 A HN 0.350 nan 8.150 nan 0.000 0.444 127 A N 0.087 122.939 122.820 0.053 0.000 2.067 127 A HA 0.049 4.370 4.320 0.001 0.000 0.219 127 A C 2.070 179.709 177.584 0.092 0.000 1.158 127 A CA 1.695 53.775 52.037 0.071 0.000 0.661 127 A CB -0.951 18.111 19.000 0.103 0.000 0.801 127 A HN 1.135 nan 8.150 nan 0.000 0.452 128 V N -1.462 118.515 119.914 0.104 0.000 3.461 128 V HA -0.043 4.077 4.120 0.001 0.000 0.267 128 V C 2.021 178.146 176.094 0.051 0.000 1.186 128 V CA 1.666 64.013 62.300 0.078 0.000 1.154 128 V CB -0.980 30.892 31.823 0.080 0.000 0.802 128 V HN 0.618 nan 8.190 nan 0.000 0.474 129 S N 0.820 116.548 115.700 0.046 0.000 2.474 129 S HA 0.137 4.607 4.470 0.001 0.000 0.235 129 S C 1.810 176.426 174.600 0.027 0.000 0.997 129 S CA 0.727 58.947 58.200 0.034 0.000 0.949 129 S CB -0.890 62.329 63.200 0.032 0.000 0.766 129 S HN 1.898 nan 8.310 nan 0.000 0.517 130 G N 0.909 109.726 108.800 0.028 0.000 2.356 130 G HA2 -0.220 3.740 3.960 0.001 0.000 0.296 130 G HA3 -0.220 3.740 3.960 0.001 0.000 0.296 130 G C -0.064 174.844 174.900 0.014 0.000 1.022 130 G CA 0.229 45.341 45.100 0.020 0.000 0.961 130 G HN 0.707 nan 8.290 nan 0.000 0.510 131 V N 0.667 120.590 119.914 0.015 0.000 2.415 131 V HA 0.402 4.522 4.120 0.001 0.000 0.267 131 V C 2.105 178.202 176.094 0.005 0.000 1.042 131 V CA 0.767 63.072 62.300 0.010 0.000 1.000 131 V CB 0.646 32.477 31.823 0.012 0.000 1.015 131 V HN 0.623 nan 8.190 nan 0.000 0.478 132 G N 4.738 113.539 108.800 0.001 0.000 2.547 132 G HA2 -0.251 3.709 3.960 0.001 0.000 0.221 132 G HA3 -0.251 3.709 3.960 0.001 0.000 0.221 132 G C 1.527 176.424 174.900 -0.004 0.000 1.140 132 G CA 1.030 46.129 45.100 -0.002 0.000 0.760 132 G HN 0.896 nan 8.290 nan 0.000 0.583 133 G N -0.150 108.645 108.800 -0.008 0.000 2.471 133 G HA2 0.061 4.021 3.960 0.001 0.000 0.219 133 G HA3 0.061 4.021 3.960 0.001 0.000 0.219 133 G C 0.737 175.636 174.900 -0.002 0.000 1.125 133 G CA 0.172 45.266 45.100 -0.010 0.000 0.775 133 G HN 0.456 nan 8.290 nan 0.000 0.548 134 L N 1.017 122.241 121.223 0.002 0.000 2.485 134 L HA 0.311 4.652 4.340 0.001 0.000 0.279 134 L C 1.028 177.902 176.870 0.006 0.000 1.124 134 L CA -0.109 54.734 54.840 0.006 0.000 0.888 134 L CB 0.682 42.745 42.059 0.006 0.000 1.217 134 L HN -0.150 nan 8.230 nan 0.000 0.464 135 K N 4.245 124.653 120.400 0.013 0.000 2.348 135 K HA 0.488 4.808 4.320 0.001 0.000 0.194 135 K C 0.080 176.668 176.600 -0.020 0.000 1.052 135 K CA 0.671 56.963 56.287 0.007 0.000 1.004 135 K CB 0.511 33.032 32.500 0.035 0.000 0.873 135 K HN 0.612 nan 8.250 nan 0.000 0.523 136 A N 1.208 124.052 122.820 0.040 0.000 2.604 136 A HA 0.674 4.994 4.320 0.001 0.000 0.295 136 A C -1.113 176.603 177.584 0.219 0.000 1.067 136 A CA -0.905 51.190 52.037 0.095 0.000 0.683 136 A CB 1.089 20.131 19.000 0.069 0.000 1.281 136 A HN 0.174 nan 8.150 nan 0.000 0.407 137 I N -2.303 118.404 120.570 0.227 0.000 3.042 137 I HA 0.948 5.118 4.170 0.001 0.000 0.310 137 I C -0.145 176.056 176.117 0.139 0.000 1.117 137 I CA -1.106 60.264 61.300 0.116 0.000 1.003 137 I CB 2.599 40.476 38.000 -0.204 0.000 1.228 137 I HN 1.052 nan 8.210 nan 0.000 0.443 138 A N 3.632 126.507 122.820 0.092 0.000 3.266 138 A HA 0.611 4.932 4.320 0.001 0.000 0.310 138 A C -2.894 174.705 177.584 0.025 0.000 1.066 138 A CA -1.157 50.897 52.037 0.028 0.000 0.839 138 A CB 0.027 19.139 19.000 0.188 0.000 1.192 138 A HN 0.527 nan 8.150 nan 0.000 0.496 139 P HA 0.251 nan 4.420 nan 0.000 0.287 139 P C -0.195 177.104 177.300 -0.002 0.000 1.307 139 P CA 0.241 63.255 63.100 -0.143 0.000 0.777 139 P CB 1.562 33.024 31.700 -0.396 0.000 0.883 140 S N 5.182 120.891 115.700 0.016 0.000 2.451 140 S HA 0.492 4.962 4.470 0.001 0.000 0.301 140 S C 0.592 175.170 174.600 -0.037 0.000 1.116 140 S CA -0.448 57.774 58.200 0.037 0.000 1.093 140 S CB -0.219 63.029 63.200 0.080 0.000 1.017 140 S HN 0.375 nan 8.310 nan 0.000 0.482 141 M N 1.621 121.215 119.600 -0.011 0.000 2.303 141 M HA -0.207 4.273 4.480 0.001 0.000 0.189 141 M C -0.006 176.046 176.300 -0.414 0.000 0.688 141 M CA 0.964 56.239 55.300 -0.042 0.000 0.479 141 M CB -3.198 29.413 32.600 0.018 0.000 1.094 141 M HN 0.695 nan 8.290 nan 0.000 0.907 142 A N -0.144 122.497 122.820 -0.300 0.000 2.475 142 A HA 0.950 5.271 4.320 0.001 0.000 0.281 142 A C -0.118 177.464 177.584 -0.002 0.000 1.263 142 A CA 0.090 51.861 52.037 -0.444 0.000 0.776 142 A CB 2.241 21.192 19.000 -0.081 0.000 1.347 142 A HN 0.622 nan 8.150 nan 0.000 0.443 143 S N -2.222 113.557 115.700 0.131 0.000 2.588 143 S HA 0.618 5.088 4.470 0.001 0.000 0.275 143 S C -0.171 174.478 174.600 0.082 0.000 1.130 143 S CA 0.291 58.605 58.200 0.190 0.000 0.855 143 S CB 1.744 65.125 63.200 0.302 0.000 1.116 143 S HN 1.991 nan 8.310 nan 0.000 0.472 144 A N 1.836 124.600 122.820 -0.092 0.000 2.503 144 A HA 0.413 4.733 4.320 0.001 0.000 0.263 144 A C -0.053 177.546 177.584 0.024 0.000 1.258 144 A CA -0.059 51.907 52.037 -0.119 0.000 0.936 144 A CB -0.052 18.692 19.000 -0.427 0.000 1.070 144 A HN 0.670 nan 8.150 nan 0.000 0.522 145 D N 0.371 120.779 120.400 0.013 0.000 2.375 145 D HA 0.223 4.863 4.640 0.001 0.000 0.241 145 D C 0.386 176.694 176.300 0.013 0.000 1.361 145 D CA -0.373 53.642 54.000 0.025 0.000 0.995 145 D CB 0.957 41.723 40.800 -0.056 0.000 1.312 145 D HN -0.054 nan 8.370 nan 0.000 0.576 146 L N 3.217 124.491 121.223 0.085 0.000 2.217 146 L HA -0.090 4.251 4.340 0.001 0.000 0.211 146 L C 1.923 178.774 176.870 -0.033 0.000 1.107 146 L CA 0.982 55.862 54.840 0.067 0.000 0.783 146 L CB -1.299 40.895 42.059 0.225 0.000 0.919 146 L HN 0.559 nan 8.230 nan 0.000 0.442 147 Y N 1.464 121.597 120.300 -0.279 0.000 2.128 147 Y HA -0.258 4.292 4.550 0.000 0.000 0.284 147 Y C 2.827 178.506 175.900 -0.369 0.000 1.154 147 Y CA 1.821 59.496 58.100 -0.707 0.000 1.149 147 Y CB -0.022 37.941 38.460 -0.827 0.000 0.976 147 Y HN 0.046 nan 8.280 nan 0.000 0.505 148 R N -0.039 120.404 120.500 -0.095 0.000 2.148 148 R HA 0.233 4.573 4.340 0.001 0.000 0.223 148 R C -0.065 176.102 176.300 -0.222 0.000 1.088 148 R CA 0.704 56.726 56.100 -0.129 0.000 0.985 148 R CB 0.026 30.268 30.300 -0.098 0.000 0.880 148 R HN 0.245 nan 8.270 nan 0.000 0.451 149 A N 0.352 123.009 122.820 -0.271 0.000 2.513 149 A HA 0.360 4.680 4.320 0.001 0.000 0.296 149 A C -2.491 174.752 177.584 -0.569 0.000 1.052 149 A CA -1.165 50.595 52.037 -0.462 0.000 0.714 149 A CB 1.641 20.415 19.000 -0.375 0.000 1.279 149 A HN -0.112 nan 8.150 nan 0.000 0.397 150 P HA 0.146 nan 4.420 nan 0.000 0.275 150 P C 0.417 177.285 177.300 -0.721 0.000 1.310 150 P CA 0.275 62.684 63.100 -1.150 0.000 0.904 150 P CB -0.012 30.756 31.700 -1.553 0.000 1.381 151 W N -1.364 119.788 121.300 -0.246 0.000 2.481 151 W HA 0.066 4.727 4.660 0.001 0.000 0.293 151 W C 1.481 177.669 176.519 -0.551 0.000 1.201 151 W CA 0.048 57.240 57.345 -0.255 0.000 1.328 151 W CB -0.482 28.982 29.460 0.006 0.000 1.112 151 W HN -0.115 nan 8.180 nan 0.000 0.546 152 Y N -0.703 119.283 120.300 -0.523 0.000 2.603 152 Y HA 0.691 5.242 4.550 0.000 0.000 0.165 152 Y C 0.984 176.606 175.900 -0.463 0.000 1.186 152 Y CA 0.213 57.903 58.100 -0.683 0.000 1.600 152 Y CB 0.118 37.613 38.460 -1.609 0.000 1.092 152 Y HN -0.246 nan 8.280 nan 0.000 0.430 153 G N -1.164 107.433 108.800 -0.338 0.000 2.328 153 G HA2 0.220 4.180 3.960 0.001 0.000 0.295 153 G HA3 0.220 4.180 3.960 0.001 0.000 0.295 153 G C -2.694 172.153 174.900 -0.089 0.000 1.413 153 G CA -0.698 44.309 45.100 -0.154 0.000 0.817 153 G HN 0.078 nan 8.290 nan 0.000 0.546 154 P HA 0.045 nan 4.420 nan 0.000 0.230 154 P C 1.506 178.777 177.300 -0.049 0.000 1.158 154 P CA 1.435 64.510 63.100 -0.042 0.000 0.769 154 P CB 0.159 31.831 31.700 -0.046 0.000 0.807 155 G N -0.521 108.225 108.800 -0.090 0.000 2.744 155 G HA2 0.231 4.191 3.960 0.001 0.000 0.211 155 G HA3 0.231 4.191 3.960 0.001 0.000 0.211 155 G C 1.130 175.994 174.900 -0.060 0.000 1.146 155 G CA 0.481 45.524 45.100 -0.096 0.000 0.787 155 G HN 0.410 nan 8.290 nan 0.000 0.534 156 G N -1.107 107.627 108.800 -0.110 0.000 2.149 156 G HA2 0.196 4.156 3.960 0.001 0.000 0.235 156 G HA3 0.196 4.156 3.960 0.001 0.000 0.235 156 G C 0.249 175.149 174.900 -0.001 0.000 1.018 156 G CA 0.250 45.208 45.100 -0.236 0.000 0.728 156 G HN 1.345 nan 8.290 nan 0.000 0.508 157 A N -0.565 122.242 122.820 -0.022 0.000 2.325 157 A HA 0.864 5.184 4.320 0.001 0.000 0.333 157 A C 0.131 177.752 177.584 0.062 0.000 1.155 157 A CA -0.560 51.504 52.037 0.044 0.000 0.814 157 A CB 1.416 20.333 19.000 -0.138 0.000 1.206 157 A HN 1.536 nan 8.150 nan 0.000 0.482 158 L N 1.723 122.940 121.223 -0.010 0.000 2.410 158 L HA 0.293 4.633 4.340 0.001 0.000 0.273 158 L C 0.473 177.263 176.870 -0.132 0.000 1.152 158 L CA 0.776 55.360 54.840 -0.427 0.000 0.855 158 L CB 0.991 42.855 42.059 -0.324 0.000 1.129 158 L HN 0.488 nan 8.230 nan 0.000 0.463 159 S N 4.458 120.028 115.700 -0.217 0.000 4.087 159 S HA 0.048 4.518 4.470 0.001 0.000 0.213 159 S C 1.269 175.816 174.600 -0.088 0.000 1.415 159 S CA 0.003 58.135 58.200 -0.113 0.000 0.893 159 S CB 0.212 63.329 63.200 -0.138 0.000 1.529 159 S HN 0.668 nan 8.310 nan 0.000 0.457 160 V N 2.885 122.745 119.914 -0.089 0.000 2.343 160 V HA -0.239 3.881 4.120 0.001 0.000 0.247 160 V C 2.364 178.425 176.094 -0.056 0.000 1.051 160 V CA 2.547 64.808 62.300 -0.067 0.000 1.036 160 V CB -0.290 31.514 31.823 -0.032 0.000 0.654 160 V HN 0.815 nan 8.190 nan 0.000 0.451 161 E N 1.296 121.434 120.200 -0.104 0.000 2.110 161 E HA -0.094 4.256 4.350 0.001 0.000 0.193 161 E C 2.022 178.674 176.600 0.087 0.000 0.988 161 E CA 1.850 58.221 56.400 -0.048 0.000 0.804 161 E CB -0.970 28.680 29.700 -0.083 0.000 0.745 161 E HN 0.558 nan 8.360 nan 0.000 0.458 162 A N 0.958 123.851 122.820 0.122 0.000 1.898 162 A HA -0.042 4.278 4.320 0.001 0.000 0.216 162 A C 2.210 180.002 177.584 0.347 0.000 1.181 162 A CA 1.381 53.588 52.037 0.283 0.000 0.620 162 A CB -0.803 18.286 19.000 0.149 0.000 0.819 162 A HN 0.319 nan 8.150 nan 0.000 0.442 163 L N -0.010 121.392 121.223 0.299 0.000 1.970 163 L HA -0.139 4.201 4.340 0.001 0.000 0.212 163 L C 2.336 179.283 176.870 0.130 0.000 1.071 163 L CA 1.951 56.940 54.840 0.248 0.000 0.751 163 L CB -0.528 41.562 42.059 0.052 0.000 0.889 163 L HN 0.414 nan 8.230 nan 0.000 0.432 164 L N -1.080 120.161 121.223 0.029 0.000 2.072 164 L HA -0.030 4.310 4.340 0.001 0.000 0.205 164 L C 2.570 179.373 176.870 -0.110 0.000 1.079 164 L CA 1.010 55.837 54.840 -0.021 0.000 0.752 164 L CB -1.549 40.496 42.059 -0.023 0.000 0.906 164 L HN 0.458 nan 8.230 nan 0.000 0.436 165 G N -0.258 108.411 108.800 -0.218 0.000 2.491 165 G HA2 -0.333 3.628 3.960 0.001 0.000 0.218 165 G HA3 -0.333 3.628 3.960 0.001 0.000 0.218 165 G C 1.276 175.588 174.900 -0.980 0.000 1.180 165 G CA 0.749 45.499 45.100 -0.583 0.000 0.774 165 G HN 0.450 nan 8.290 nan 0.000 0.562 166 W N 1.689 122.315 121.300 -1.124 0.000 2.358 166 W HA -0.043 4.617 4.660 0.001 0.000 0.303 166 W C 2.939 179.388 176.519 -0.117 0.000 1.208 166 W CA 1.748 58.794 57.345 -0.499 0.000 1.274 166 W CB -0.321 29.247 29.460 0.181 0.000 1.138 166 W HN 0.196 nan 8.180 nan 0.000 0.515 167 S N 0.294 115.998 115.700 0.007 0.000 2.382 167 S HA -0.204 4.267 4.470 0.001 0.000 0.228 167 S C 1.995 176.483 174.600 -0.187 0.000 1.027 167 S CA 1.527 59.679 58.200 -0.078 0.000 0.991 167 S CB -0.976 62.270 63.200 0.077 0.000 0.823 167 S HN 0.377 nan 8.310 nan 0.000 0.469 168 A N 1.092 123.810 122.820 -0.171 0.000 1.933 168 A HA -0.040 4.280 4.320 0.001 0.000 0.218 168 A C 2.115 179.578 177.584 -0.202 0.000 1.175 168 A CA 1.311 53.247 52.037 -0.168 0.000 0.628 168 A CB -0.606 18.314 19.000 -0.134 0.000 0.814 168 A HN 0.434 nan 8.150 nan 0.000 0.444 169 L N -0.323 120.765 121.223 -0.225 0.000 2.027 169 L HA -0.100 4.240 4.340 0.001 0.000 0.206 169 L C 2.133 178.857 176.870 -0.243 0.000 1.074 169 L CA 1.566 56.306 54.840 -0.167 0.000 0.745 169 L CB -0.303 41.738 42.059 -0.031 0.000 0.898 169 L HN 0.299 nan 8.230 nan 0.000 0.433 170 I N 0.186 120.481 120.570 -0.457 0.000 2.179 170 I HA -0.206 3.964 4.170 0.001 0.000 0.242 170 I C 2.627 178.549 176.117 -0.325 0.000 1.088 170 I CA 1.487 62.485 61.300 -0.503 0.000 1.357 170 I CB -2.266 35.253 38.000 -0.802 0.000 1.051 170 I HN 0.416 nan 8.210 nan 0.000 0.409 171 G N 0.513 109.157 108.800 -0.260 0.000 2.529 171 G HA2 -0.323 3.637 3.960 0.001 0.000 0.219 171 G HA3 -0.323 3.637 3.960 0.001 0.000 0.219 171 G C 1.670 176.475 174.900 -0.158 0.000 1.177 171 G CA 1.788 46.781 45.100 -0.177 0.000 0.773 171 G HN 0.343 nan 8.290 nan 0.000 0.573 172 T N 0.641 115.089 114.554 -0.177 0.000 2.720 172 T HA -0.141 4.209 4.350 0.001 0.000 0.268 172 T C 2.460 177.137 174.700 -0.038 0.000 1.037 172 T CA 1.696 63.704 62.100 -0.153 0.000 1.144 172 T CB -0.216 68.512 68.868 -0.234 0.000 0.864 172 T HN 0.418 nan 8.240 nan 0.000 0.444 173 Q N 0.331 120.082 119.800 -0.082 0.000 1.993 173 Q HA -0.011 4.329 4.340 0.001 0.000 0.202 173 Q C 2.516 178.357 176.000 -0.265 0.000 0.984 173 Q CA 1.179 56.923 55.803 -0.098 0.000 0.837 173 Q CB -0.481 28.206 28.738 -0.085 0.000 0.902 173 Q HN 0.453 nan 8.270 nan 0.000 0.423 174 L N 0.490 121.536 121.223 -0.295 0.000 2.103 174 L HA -0.286 4.055 4.340 0.001 0.000 0.215 174 L C 2.334 179.095 176.870 -0.183 0.000 1.080 174 L CA 1.200 55.872 54.840 -0.279 0.000 0.764 174 L CB -0.517 41.416 42.059 -0.210 0.000 0.890 174 L HN 0.291 nan 8.230 nan 0.000 0.435 175 I N -0.939 119.575 120.570 -0.094 0.000 2.141 175 I HA -0.243 3.927 4.170 0.001 0.000 0.236 175 I C 2.401 178.512 176.117 -0.010 0.000 1.071 175 I CA 1.652 62.944 61.300 -0.014 0.000 1.345 175 I CB -0.570 37.486 38.000 0.093 0.000 1.066 175 I HN 0.160 nan 8.210 nan 0.000 0.406 176 T N 0.235 114.818 114.554 0.049 0.000 2.918 176 T HA -0.128 4.223 4.350 0.001 0.000 0.271 176 T C 1.420 176.114 174.700 -0.010 0.000 1.104 176 T CA 1.489 63.625 62.100 0.061 0.000 1.114 176 T CB -0.390 68.580 68.868 0.170 0.000 0.855 176 T HN 0.453 nan 8.240 nan 0.000 0.518 177 S N 1.003 116.603 115.700 -0.167 0.000 2.526 177 S HA 0.319 4.789 4.470 0.001 0.000 0.247 177 S C 0.146 174.632 174.600 -0.190 0.000 1.076 177 S CA -0.855 57.178 58.200 -0.279 0.000 1.105 177 S CB -0.065 62.588 63.200 -0.912 0.000 0.793 177 S HN 0.285 nan 8.310 nan 0.000 0.458 178 R N 1.137 121.577 120.500 -0.100 0.000 2.360 178 R HA 0.342 4.682 4.340 0.001 0.000 0.318 178 R C 0.931 177.212 176.300 -0.031 0.000 0.950 178 R CA -0.003 56.057 56.100 -0.067 0.000 0.837 178 R CB 1.520 31.784 30.300 -0.060 0.000 1.165 178 R HN 0.491 nan 8.270 nan 0.000 0.458 179 S N 0.868 116.556 115.700 -0.019 0.000 2.423 179 S HA -0.061 4.410 4.470 0.001 0.000 0.231 179 S C 0.434 175.029 174.600 -0.008 0.000 1.014 179 S CA 0.723 58.922 58.200 -0.002 0.000 0.965 179 S CB 0.088 63.293 63.200 0.008 0.000 0.785 179 S HN 0.491 nan 8.310 nan 0.000 0.495 180 D N 1.905 122.296 120.400 -0.015 0.000 2.344 180 D HA 0.606 5.246 4.640 0.001 0.000 0.239 180 D C -0.788 175.501 176.300 -0.019 0.000 1.064 180 D CA -0.158 53.833 54.000 -0.015 0.000 0.829 180 D CB 1.746 42.538 40.800 -0.013 0.000 1.129 180 D HN 0.329 nan 8.370 nan 0.000 0.506 181 A N 3.535 126.344 122.820 -0.018 0.000 2.309 181 A HA 0.333 4.654 4.320 0.001 0.000 0.290 181 A C 0.592 178.167 177.584 -0.015 0.000 1.206 181 A CA -0.563 51.463 52.037 -0.019 0.000 0.850 181 A CB 0.454 19.439 19.000 -0.024 0.000 1.118 181 A HN 0.435 nan 8.150 nan 0.000 0.523 182 R N 2.935 123.427 120.500 -0.013 0.000 2.734 182 R HA 0.135 4.475 4.340 0.001 0.000 0.266 182 R C -1.670 174.627 176.300 -0.005 0.000 1.044 182 R CA -1.188 54.907 56.100 -0.008 0.000 1.128 182 R CB 0.170 30.465 30.300 -0.008 0.000 1.010 182 R HN 0.464 nan 8.270 nan 0.000 0.461 183 P HA -0.214 nan 4.420 nan 0.000 0.216 183 P C 0.780 178.083 177.300 0.005 0.000 1.150 183 P CA 1.262 64.362 63.100 -0.001 0.000 0.837 183 P CB 0.134 31.833 31.700 -0.001 0.000 0.786 184 E N -0.730 119.475 120.200 0.008 0.000 2.481 184 E HA -0.113 4.237 4.350 0.001 0.000 0.195 184 E C 0.832 177.448 176.600 0.028 0.000 1.047 184 E CA 0.648 57.057 56.400 0.015 0.000 0.867 184 E CB -0.857 28.849 29.700 0.012 0.000 0.858 184 E HN 0.182 nan 8.360 nan 0.000 0.513 185 D N 2.342 122.758 120.400 0.026 0.000 2.104 185 D HA -0.132 4.508 4.640 0.001 0.000 0.194 185 D C 1.954 178.301 176.300 0.079 0.000 0.994 185 D CA 2.268 56.296 54.000 0.047 0.000 0.830 185 D CB -0.356 40.457 40.800 0.022 0.000 0.959 185 D HN 0.357 nan 8.370 nan 0.000 0.452 186 A N 0.892 123.736 122.820 0.039 0.000 1.883 186 A HA -0.101 4.219 4.320 0.001 0.000 0.217 186 A C 2.299 179.941 177.584 0.096 0.000 1.186 186 A CA 2.620 54.680 52.037 0.039 0.000 0.624 186 A CB -0.778 18.222 19.000 0.001 0.000 0.822 186 A HN 0.261 nan 8.150 nan 0.000 0.444 187 A N -0.519 122.343 122.820 0.071 0.000 1.929 187 A HA -0.091 4.229 4.320 0.001 0.000 0.216 187 A C 1.769 179.400 177.584 0.079 0.000 1.176 187 A CA 1.684 53.762 52.037 0.068 0.000 0.628 187 A CB -0.496 18.528 19.000 0.040 0.000 0.816 187 A HN 0.428 nan 8.150 nan 0.000 0.444 188 D N -0.975 119.472 120.400 0.078 0.000 2.144 188 D HA -0.132 4.508 4.640 0.001 0.000 0.199 188 D C 1.548 177.891 176.300 0.072 0.000 0.984 188 D CA 1.002 55.036 54.000 0.058 0.000 0.834 188 D CB -0.385 40.441 40.800 0.044 0.000 0.955 188 D HN 0.452 nan 8.370 nan 0.000 0.465 189 F N 1.090 121.034 119.950 -0.011 0.000 2.095 189 F HA -0.230 4.297 4.527 0.000 0.000 0.298 189 F C 2.292 178.092 175.800 -0.000 0.000 1.104 189 F CA 1.004 58.999 58.000 -0.008 0.000 1.232 189 F CB -0.208 38.788 39.000 -0.006 0.000 0.987 189 F HN -0.208 nan 8.300 nan 0.000 0.475 190 V N 0.206 120.252 119.914 0.219 0.000 2.287 190 V HA -0.374 3.747 4.120 0.001 0.000 0.248 190 V C 2.230 178.339 176.094 0.025 0.000 1.053 190 V CA 2.396 64.769 62.300 0.121 0.000 1.027 190 V CB -0.829 31.059 31.823 0.109 0.000 0.646 190 V HN 0.416 nan 8.190 nan 0.000 0.447 191 Q N -0.672 119.134 119.800 0.010 0.000 2.119 191 Q HA -0.117 4.224 4.340 0.001 0.000 0.201 191 Q C 2.287 178.256 176.000 -0.051 0.000 0.972 191 Q CA 1.365 57.161 55.803 -0.012 0.000 0.847 191 Q CB -0.218 28.517 28.738 -0.005 0.000 0.903 191 Q HN 0.556 nan 8.270 nan 0.000 0.433 192 L N 0.158 121.317 121.223 -0.106 0.000 2.046 192 L HA -0.184 4.156 4.340 0.001 0.000 0.208 192 L C 2.527 179.296 176.870 -0.169 0.000 1.077 192 L CA 1.033 55.774 54.840 -0.166 0.000 0.747 192 L CB -0.618 41.282 42.059 -0.265 0.000 0.896 192 L HN 0.214 nan 8.230 nan 0.000 0.432 193 A N 0.018 122.720 122.820 -0.196 0.000 1.933 193 A HA -0.178 4.142 4.320 0.001 0.000 0.218 193 A C 2.521 180.081 177.584 -0.040 0.000 1.175 193 A CA 1.769 53.734 52.037 -0.120 0.000 0.628 193 A CB -0.697 18.261 19.000 -0.071 0.000 0.814 193 A HN 0.410 nan 8.150 nan 0.000 0.444 194 A N -0.113 122.692 122.820 -0.025 0.000 1.930 194 A HA -0.043 4.277 4.320 0.001 0.000 0.217 194 A C 2.101 179.688 177.584 0.005 0.000 1.175 194 A CA 1.413 53.451 52.037 0.001 0.000 0.627 194 A CB -0.563 18.442 19.000 0.008 0.000 0.815 194 A HN 0.504 nan 8.150 nan 0.000 0.443 195 I N -0.429 120.134 120.570 -0.012 0.000 2.179 195 I HA -0.262 3.908 4.170 0.001 0.000 0.242 195 I C 2.251 178.376 176.117 0.015 0.000 1.088 195 I CA 1.236 62.534 61.300 -0.004 0.000 1.357 195 I CB -0.348 37.635 38.000 -0.027 0.000 1.051 195 I HN 0.265 nan 8.210 nan 0.000 0.409 196 L N 0.456 121.682 121.223 0.005 0.000 2.275 196 L HA -0.160 4.180 4.340 0.001 0.000 0.215 196 L C 1.819 178.729 176.870 0.065 0.000 1.119 196 L CA 0.875 55.743 54.840 0.047 0.000 0.790 196 L CB -0.565 41.513 42.059 0.033 0.000 0.919 196 L HN 0.303 nan 8.230 nan 0.000 0.443 197 N N -0.728 117.999 118.700 0.045 0.000 2.467 197 N HA -0.062 4.678 4.740 0.001 0.000 0.184 197 N C -0.049 175.500 175.510 0.065 0.000 1.106 197 N CA 0.704 53.783 53.050 0.049 0.000 0.892 197 N CB 0.198 38.707 38.487 0.036 0.000 0.969 197 N HN 0.193 nan 8.380 nan 0.000 0.454 198 D N -0.611 119.835 120.400 0.076 0.000 3.118 198 D HA 0.117 4.758 4.640 0.001 0.000 0.259 198 D C 0.729 177.082 176.300 0.089 0.000 1.292 198 D CA -0.138 53.919 54.000 0.095 0.000 0.784 198 D CB -0.040 40.801 40.800 0.069 0.000 1.413 198 D HN -0.308 nan 8.370 nan 0.000 0.583 199 V N 1.021 121.011 119.914 0.128 0.000 2.407 199 V HA -0.166 3.955 4.120 0.001 0.000 0.248 199 V C 2.636 178.703 176.094 -0.044 0.000 1.055 199 V CA 2.127 64.469 62.300 0.069 0.000 1.049 199 V CB -0.661 31.242 31.823 0.133 0.000 0.662 199 V HN 0.537 nan 8.190 nan 0.000 0.455 200 A N 0.708 123.455 122.820 -0.121 0.000 1.908 200 A HA -0.133 4.187 4.320 0.001 0.000 0.218 200 A C 2.434 180.007 177.584 -0.019 0.000 1.181 200 A CA 2.077 53.938 52.037 -0.294 0.000 0.627 200 A CB -1.260 17.500 19.000 -0.398 0.000 0.818 200 A HN 0.528 nan 8.150 nan 0.000 0.445 201 G N -0.526 108.297 108.800 0.039 0.000 2.459 201 G HA2 -0.029 3.931 3.960 0.001 0.000 0.217 201 G HA3 -0.029 3.931 3.960 0.001 0.000 0.217 201 G C 1.782 176.720 174.900 0.064 0.000 1.183 201 G CA 1.583 46.724 45.100 0.068 0.000 0.776 201 G HN 0.850 nan 8.290 nan 0.000 0.552 202 A N 1.091 123.935 122.820 0.040 0.000 1.933 202 A HA 0.273 4.594 4.320 0.001 0.000 0.218 202 A C 2.742 180.356 177.584 0.049 0.000 1.175 202 A CA 2.203 54.260 52.037 0.033 0.000 0.628 202 A CB -0.698 18.310 19.000 0.013 0.000 0.814 202 A HN 0.871 nan 8.150 nan 0.000 0.444 203 A N -0.969 121.878 122.820 0.044 0.000 2.121 203 A HA 0.064 4.384 4.320 0.001 0.000 0.218 203 A C 2.201 179.963 177.584 0.297 0.000 1.154 203 A CA 1.626 53.722 52.037 0.098 0.000 0.679 203 A CB -0.464 18.477 19.000 -0.097 0.000 0.795 203 A HN 0.408 nan 8.150 nan 0.000 0.458 204 S N -0.567 115.292 115.700 0.266 0.000 2.501 204 S HA 0.072 4.542 4.470 0.001 0.000 0.220 204 S C 0.883 175.538 174.600 0.090 0.000 0.997 204 S CA 0.404 58.734 58.200 0.217 0.000 0.919 204 S CB -0.429 62.874 63.200 0.172 0.000 0.778 204 S HN 0.682 nan 8.310 nan 0.000 0.523 205 V N 2.957 122.918 119.914 0.078 0.000 2.599 205 V HA 0.420 4.541 4.120 0.001 0.000 0.300 205 V C 0.036 176.153 176.094 0.038 0.000 1.034 205 V CA -0.454 61.872 62.300 0.044 0.000 1.115 205 V CB 0.101 31.946 31.823 0.036 0.000 0.934 205 V HN 0.313 nan 8.190 nan 0.000 0.485 206 T N 3.664 118.229 114.554 0.019 0.000 2.856 206 T HA 0.722 5.072 4.350 0.001 0.000 0.283 206 T C -2.766 171.940 174.700 0.010 0.000 1.008 206 T CA -2.025 60.083 62.100 0.013 0.000 0.997 206 T CB 1.527 70.394 68.868 -0.002 0.000 0.992 206 T HN 0.683 nan 8.240 nan 0.000 0.454 207 P HA 0.221 nan 4.420 nan 0.000 0.275 207 P C 0.782 178.096 177.300 0.023 0.000 1.228 207 P CA -0.796 62.313 63.100 0.015 0.000 0.786 207 P CB 0.577 32.284 31.700 0.011 0.000 0.927 208 L N 3.292 124.535 121.223 0.034 0.000 2.127 208 L HA -0.142 4.198 4.340 0.001 0.000 0.211 208 L C 2.042 178.929 176.870 0.029 0.000 1.089 208 L CA 2.038 56.903 54.840 0.043 0.000 0.757 208 L CB -1.625 40.470 42.059 0.061 0.000 0.899 208 L HN 0.469 nan 8.230 nan 0.000 0.434 209 A N -1.526 121.308 122.820 0.023 0.000 2.216 209 A HA -0.082 4.239 4.320 0.001 0.000 0.214 209 A C 1.080 178.669 177.584 0.008 0.000 1.160 209 A CA 0.324 52.369 52.037 0.013 0.000 0.725 209 A CB -0.617 18.390 19.000 0.011 0.000 0.784 209 A HN 0.519 nan 8.150 nan 0.000 0.472 210 E N 1.364 121.571 120.200 0.011 0.000 2.001 210 E HA 0.200 4.551 4.350 0.001 0.000 0.279 210 E C -0.811 175.795 176.600 0.009 0.000 1.045 210 E CA -0.123 56.282 56.400 0.008 0.000 0.833 210 E CB 0.374 30.079 29.700 0.009 0.000 1.077 210 E HN 0.283 nan 8.360 nan 0.000 0.397 211 Q N 3.347 123.151 119.800 0.006 0.000 2.932 211 Q HA 0.195 4.535 4.340 0.001 0.000 0.248 211 Q C -2.133 173.869 176.000 0.005 0.000 0.982 211 Q CA -1.743 54.063 55.803 0.006 0.000 0.730 211 Q CB 1.434 30.174 28.738 0.004 0.000 1.249 211 Q HN 0.360 nan 8.270 nan 0.000 0.476 212 P HA -0.130 nan 4.420 nan 0.000 0.215 212 P C 1.395 178.697 177.300 0.003 0.000 1.157 212 P CA 0.475 63.577 63.100 0.004 0.000 0.859 212 P CB 0.450 32.153 31.700 0.005 0.000 0.786 213 L N -0.848 120.375 121.223 -0.000 0.000 1.988 213 L HA -0.086 4.254 4.340 0.001 0.000 0.207 213 L C 2.332 179.199 176.870 -0.006 0.000 1.071 213 L CA 1.781 56.618 54.840 -0.005 0.000 0.744 213 L CB -1.360 40.693 42.059 -0.010 0.000 0.893 213 L HN -0.189 nan 8.230 nan 0.000 0.433 214 L N -0.617 120.602 121.223 -0.006 0.000 2.093 214 L HA -0.096 4.244 4.340 0.001 0.000 0.208 214 L C 2.533 179.414 176.870 0.019 0.000 1.085 214 L CA 1.175 56.015 54.840 0.000 0.000 0.755 214 L CB -1.395 40.665 42.059 0.002 0.000 0.904 214 L HN 0.485 nan 8.230 nan 0.000 0.435 215 G N -0.091 108.719 108.800 0.016 0.000 2.422 215 G HA2 -0.291 3.669 3.960 0.001 0.000 0.218 215 G HA3 -0.291 3.669 3.960 0.001 0.000 0.218 215 G C 1.751 176.664 174.900 0.022 0.000 1.146 215 G CA 0.814 45.926 45.100 0.021 0.000 0.769 215 G HN 0.309 nan 8.290 nan 0.000 0.547 216 R N -0.096 120.411 120.500 0.012 0.000 2.062 216 R HA 0.145 4.485 4.340 0.001 0.000 0.229 216 R C 2.436 178.741 176.300 0.008 0.000 1.128 216 R CA 0.849 56.954 56.100 0.009 0.000 0.960 216 R CB -0.343 29.959 30.300 0.004 0.000 0.855 216 R HN 0.378 nan 8.270 nan 0.000 0.432 217 L N 0.298 121.523 121.223 0.002 0.000 2.072 217 L HA 0.044 4.384 4.340 0.001 0.000 0.205 217 L C 0.718 177.593 176.870 0.009 0.000 1.079 217 L CA 0.924 55.759 54.840 -0.008 0.000 0.752 217 L CB 0.105 42.146 42.059 -0.029 0.000 0.906 217 L HN 0.188 nan 8.230 nan 0.000 0.436 218 I N -1.038 119.555 120.570 0.038 0.000 2.714 218 I HA 0.182 4.352 4.170 0.001 0.000 0.276 218 I C -1.946 174.254 176.117 0.138 0.000 1.196 218 I CA -1.361 59.995 61.300 0.094 0.000 1.068 218 I CB 1.480 39.550 38.000 0.117 0.000 1.291 218 I HN -0.224 nan 8.210 nan 0.000 0.530 219 P HA -0.226 nan 4.420 nan 0.000 0.217 219 P C 1.627 179.004 177.300 0.128 0.000 1.148 219 P CA 1.455 64.610 63.100 0.091 0.000 0.834 219 P CB 0.094 31.833 31.700 0.065 0.000 0.783 220 W N 0.345 121.617 121.300 -0.046 0.000 2.308 220 W HA -0.268 4.392 4.660 0.001 0.000 0.301 220 W C 1.641 178.126 176.519 -0.056 0.000 1.220 220 W CA 1.177 58.484 57.345 -0.064 0.000 1.240 220 W CB -0.999 28.404 29.460 -0.095 0.000 1.142 220 W HN -0.272 nan 8.180 nan 0.000 0.521 221 V N 1.354 121.314 119.914 0.077 0.000 2.250 221 V HA -0.395 3.725 4.120 0.001 0.000 0.250 221 V C 2.205 178.141 176.094 -0.264 0.000 1.060 221 V CA 2.290 64.472 62.300 -0.196 0.000 1.030 221 V CB -0.927 30.906 31.823 0.018 0.000 0.643 221 V HN 0.236 nan 8.190 nan 0.000 0.445 222 I N -0.383 120.117 120.570 -0.117 0.000 2.296 222 I HA -0.058 4.112 4.170 0.001 0.000 0.242 222 I C 2.270 178.335 176.117 -0.087 0.000 1.087 222 I CA 1.195 62.446 61.300 -0.081 0.000 1.393 222 I CB -1.508 36.473 38.000 -0.031 0.000 1.093 222 I HN 0.299 nan 8.210 nan 0.000 0.421 223 D N 0.534 120.892 120.400 -0.070 0.000 2.123 223 D HA -0.227 4.413 4.640 0.001 0.000 0.196 223 D C 2.138 178.420 176.300 -0.030 0.000 0.992 223 D CA 1.450 55.430 54.000 -0.033 0.000 0.833 223 D CB -0.013 40.788 40.800 0.002 0.000 0.954 223 D HN 0.308 nan 8.370 nan 0.000 0.455 224 Q N 0.092 119.751 119.800 -0.234 0.000 2.159 224 Q HA 0.034 4.374 4.340 0.001 0.000 0.194 224 Q C 1.966 177.803 176.000 -0.272 0.000 0.968 224 Q CA 0.900 56.473 55.803 -0.383 0.000 0.837 224 Q CB -0.243 28.040 28.738 -0.759 0.000 0.920 224 Q HN 0.104 nan 8.270 nan 0.000 0.485 225 V N -0.085 119.556 119.914 -0.455 0.000 2.249 225 V HA -0.107 4.013 4.120 0.001 0.000 0.239 225 V C 2.305 178.531 176.094 0.221 0.000 1.038 225 V CA 1.505 63.774 62.300 -0.051 0.000 1.005 225 V CB -0.833 30.720 31.823 -0.450 0.000 0.646 225 V HN 0.224 nan 8.190 nan 0.000 0.455 226 V N 0.609 120.539 119.914 0.027 0.000 2.407 226 V HA -0.235 3.886 4.120 0.001 0.000 0.248 226 V C 2.060 178.233 176.094 0.131 0.000 1.055 226 V CA 2.099 64.458 62.300 0.097 0.000 1.049 226 V CB -0.745 31.087 31.823 0.015 0.000 0.662 226 V HN 0.548 nan 8.190 nan 0.000 0.455 227 D N -1.500 118.931 120.400 0.052 0.000 2.363 227 D HA -0.027 4.614 4.640 0.001 0.000 0.220 227 D C 0.906 177.089 176.300 -0.194 0.000 0.994 227 D CA 0.729 54.684 54.000 -0.075 0.000 0.890 227 D CB -0.161 40.538 40.800 -0.169 0.000 0.906 227 D HN 0.507 nan 8.370 nan 0.000 0.530 228 H N 0.026 119.198 119.070 0.170 0.000 2.340 228 H HA 0.144 4.700 4.556 0.001 0.000 0.233 228 H C -1.589 173.898 175.328 0.265 0.000 1.435 228 H CA -1.291 54.888 56.048 0.218 0.000 1.389 228 H CB 1.479 31.332 29.762 0.153 0.000 1.491 228 H HN 0.060 nan 8.280 nan 0.000 0.518 229 P HA -0.105 nan 4.420 nan 0.000 0.220 229 P C 0.142 177.416 177.300 -0.044 0.000 1.148 229 P CA 0.778 63.949 63.100 0.118 0.000 0.803 229 P CB 0.576 32.455 31.700 0.298 0.000 0.782 230 D N 0.552 121.016 120.400 0.107 0.000 2.264 230 D HA 0.054 4.694 4.640 0.001 0.000 0.249 230 D C 0.381 176.569 176.300 -0.187 0.000 1.070 230 D CA -0.260 53.746 54.000 0.009 0.000 0.912 230 D CB 0.018 40.901 40.800 0.139 0.000 1.193 230 D HN -0.131 nan 8.370 nan 0.000 0.427 231 N N 1.917 120.231 118.700 -0.642 0.000 2.971 231 N HA -0.010 4.730 4.740 0.001 0.000 0.294 231 N C -0.889 174.474 175.510 -0.245 0.000 1.210 231 N CA -0.291 52.198 53.050 -0.935 0.000 1.157 231 N CB -0.225 37.402 38.487 -1.433 0.000 1.450 231 N HN 0.279 nan 8.380 nan 0.000 0.527 232 D N -0.227 120.204 120.400 0.052 0.000 2.567 232 D HA 0.203 4.844 4.640 0.001 0.000 0.275 232 D C 0.870 177.202 176.300 0.053 0.000 1.195 232 D CA -0.378 53.661 54.000 0.064 0.000 1.087 232 D CB 0.245 41.122 40.800 0.127 0.000 1.165 232 D HN -0.015 nan 8.370 nan 0.000 0.609 233 E N -0.566 119.645 120.200 0.018 0.000 2.160 233 E HA -0.163 4.187 4.350 0.001 0.000 0.195 233 E C 2.002 178.566 176.600 -0.059 0.000 0.991 233 E CA 1.915 58.311 56.400 -0.007 0.000 0.810 233 E CB -0.543 29.153 29.700 -0.006 0.000 0.742 233 E HN 0.512 nan 8.360 nan 0.000 0.466 234 S N -0.784 114.808 115.700 -0.180 0.000 2.399 234 S HA -0.180 4.291 4.470 0.001 0.000 0.231 234 S C 1.844 176.235 174.600 -0.349 0.000 1.022 234 S CA 0.836 58.804 58.200 -0.386 0.000 0.983 234 S CB -0.671 62.011 63.200 -0.862 0.000 0.803 234 S HN 0.436 nan 8.310 nan 0.000 0.480 235 W N 1.901 123.147 121.300 -0.089 0.000 2.481 235 W HA 0.197 4.857 4.660 0.000 0.000 0.293 235 W C 2.949 179.467 176.519 -0.002 0.000 1.201 235 W CA 0.336 57.679 57.345 -0.003 0.000 1.328 235 W CB -0.248 29.214 29.460 0.003 0.000 1.112 235 W HN 0.311 nan 8.180 nan 0.000 0.546 236 Q N -0.059 119.848 119.800 0.178 0.000 2.170 236 Q HA -0.189 4.152 4.340 0.001 0.000 0.203 236 Q C 2.238 178.286 176.000 0.081 0.000 0.976 236 Q CA 1.547 57.412 55.803 0.103 0.000 0.858 236 Q CB -0.592 28.176 28.738 0.050 0.000 0.907 236 Q HN 0.171 nan 8.270 nan 0.000 0.433 237 S N 1.336 117.067 115.700 0.051 0.000 2.374 237 S HA -0.161 4.310 4.470 0.001 0.000 0.227 237 S C 1.891 176.528 174.600 0.062 0.000 1.037 237 S CA 1.511 59.730 58.200 0.033 0.000 1.024 237 S CB -0.215 62.979 63.200 -0.011 0.000 0.861 237 S HN 0.539 nan 8.310 nan 0.000 0.456 238 I N -1.055 119.575 120.570 0.100 0.000 3.783 238 I HA 0.327 4.497 4.170 0.001 0.000 0.310 238 I C 0.896 177.094 176.117 0.136 0.000 1.274 238 I CA -0.278 61.098 61.300 0.127 0.000 1.294 238 I CB -0.190 37.914 38.000 0.172 0.000 1.051 238 I HN 0.117 nan 8.210 nan 0.000 0.435 239 S N 1.492 117.281 115.700 0.149 0.000 2.562 239 S HA 0.255 4.725 4.470 0.001 0.000 0.281 239 S C 0.839 175.501 174.600 0.103 0.000 1.333 239 S CA -0.402 57.878 58.200 0.133 0.000 1.052 239 S CB 0.769 64.050 63.200 0.135 0.000 0.884 239 S HN 0.336 nan 8.310 nan 0.000 0.506 240 L N 4.760 126.040 121.223 0.095 0.000 2.609 240 L HA 0.238 4.578 4.340 0.001 0.000 0.230 240 L C 1.576 178.459 176.870 0.023 0.000 1.087 240 L CA 0.489 55.367 54.840 0.063 0.000 0.874 240 L CB -1.777 40.329 42.059 0.077 0.000 1.114 240 L HN 0.746 nan 8.230 nan 0.000 0.488 241 F N 2.127 122.023 119.950 -0.090 0.000 2.154 241 F HA -0.210 4.318 4.527 0.001 0.000 0.301 241 F C 2.401 178.147 175.800 -0.091 0.000 1.087 241 F CA 1.667 59.589 58.000 -0.132 0.000 1.274 241 F CB 0.305 39.237 39.000 -0.114 0.000 1.009 241 F HN 0.096 nan 8.300 nan 0.000 0.485 242 E N 0.005 120.206 120.200 0.002 0.000 2.208 242 E HA -0.110 4.240 4.350 0.001 0.000 0.193 242 E C 2.250 178.779 176.600 -0.118 0.000 0.988 242 E CA 0.762 57.132 56.400 -0.050 0.000 0.828 242 E CB -0.328 29.392 29.700 0.032 0.000 0.763 242 E HN 0.484 nan 8.360 nan 0.000 0.478 243 R N 0.290 120.733 120.500 -0.095 0.000 2.276 243 R HA 0.112 4.453 4.340 0.001 0.000 0.203 243 R C 2.354 178.582 176.300 -0.121 0.000 1.017 243 R CA 0.111 56.164 56.100 -0.078 0.000 1.010 243 R CB -0.041 30.246 30.300 -0.022 0.000 0.900 243 R HN 0.140 nan 8.270 nan 0.000 0.469 244 L N -0.640 120.434 121.223 -0.248 0.000 2.093 244 L HA -0.075 4.265 4.340 0.001 0.000 0.208 244 L C 2.355 179.095 176.870 -0.218 0.000 1.085 244 L CA 1.451 56.128 54.840 -0.273 0.000 0.755 244 L CB -0.725 41.008 42.059 -0.543 0.000 0.904 244 L HN 0.336 nan 8.230 nan 0.000 0.435 245 G N -0.584 108.060 108.800 -0.259 0.000 2.559 245 G HA2 -0.127 3.834 3.960 0.001 0.000 0.216 245 G HA3 -0.127 3.834 3.960 0.001 0.000 0.216 245 G C 1.395 176.236 174.900 -0.098 0.000 1.126 245 G CA 0.656 45.652 45.100 -0.174 0.000 0.778 245 G HN 0.508 nan 8.290 nan 0.000 0.543 246 G N -0.280 108.471 108.800 -0.081 0.000 2.939 246 G HA2 0.351 4.311 3.960 0.001 0.000 0.210 246 G HA3 0.351 4.311 3.960 0.001 0.000 0.210 246 G C 0.623 175.507 174.900 -0.026 0.000 1.160 246 G CA -0.415 44.658 45.100 -0.045 0.000 0.770 246 G HN 0.339 nan 8.290 nan 0.000 0.543 247 L N 0.216 121.425 121.223 -0.023 0.000 2.439 247 L HA 0.568 4.908 4.340 0.001 0.000 0.259 247 L C 0.787 177.658 176.870 0.002 0.000 1.129 247 L CA -0.587 54.257 54.840 0.007 0.000 0.803 247 L CB 1.714 43.801 42.059 0.047 0.000 1.161 247 L HN 0.040 nan 8.230 nan 0.000 0.462 248 A N 0.530 123.354 122.820 0.007 0.000 2.705 248 A HA 0.324 4.644 4.320 0.001 0.000 0.294 248 A C 0.025 177.605 177.584 -0.008 0.000 1.039 248 A CA -0.295 51.740 52.037 -0.002 0.000 1.005 248 A CB -0.006 18.990 19.000 -0.006 0.000 1.192 248 A HN 0.625 nan 8.150 nan 0.000 0.513 249 T N 3.272 117.833 114.554 0.013 0.000 2.743 249 T HA 0.439 4.789 4.350 0.001 0.000 0.293 249 T C -2.713 171.979 174.700 -0.012 0.000 0.945 249 T CA -0.980 61.118 62.100 -0.004 0.000 1.030 249 T CB 0.961 69.846 68.868 0.027 0.000 0.912 249 T HN 0.178 nan 8.240 nan 0.000 0.483 250 P HA 0.326 nan 4.420 nan 0.000 0.264 250 P C -1.184 176.229 177.300 0.189 0.000 1.183 250 P CA -0.197 62.836 63.100 -0.112 0.000 0.763 250 P CB 0.378 31.590 31.700 -0.813 0.000 0.807 251 A N 3.829 126.824 122.820 0.292 0.000 2.375 251 A HA 0.505 4.825 4.320 0.001 0.000 0.295 251 A C -1.144 176.385 177.584 -0.092 0.000 1.066 251 A CA -0.704 51.415 52.037 0.137 0.000 0.722 251 A CB 0.802 19.880 19.000 0.129 0.000 1.206 251 A HN 0.586 nan 8.150 nan 0.000 0.435 252 L N 4.336 125.244 121.223 -0.524 0.000 2.259 252 L HA 0.596 4.936 4.340 0.001 0.000 0.288 252 L C -1.240 175.442 176.870 -0.313 0.000 1.051 252 L CA -0.502 53.882 54.840 -0.759 0.000 0.824 252 L CB 0.127 41.293 42.059 -1.488 0.000 1.206 252 L HN 0.645 nan 8.230 nan 0.000 0.429 253 I N 4.143 124.643 120.570 -0.117 0.000 2.362 253 I HA 0.331 4.501 4.170 0.001 0.000 0.289 253 I C -0.137 175.966 176.117 -0.024 0.000 0.994 253 I CA -0.281 61.029 61.300 0.018 0.000 1.158 253 I CB 1.940 40.054 38.000 0.190 0.000 1.315 253 I HN 0.463 nan 8.210 nan 0.000 0.451 254 T N 5.141 119.713 114.554 0.029 0.000 2.855 254 T HA 0.819 5.169 4.350 0.001 0.000 0.281 254 T C -0.280 174.453 174.700 0.056 0.000 1.007 254 T CA -0.568 61.577 62.100 0.073 0.000 1.009 254 T CB 1.951 70.936 68.868 0.194 0.000 0.983 254 T HN 0.711 nan 8.240 nan 0.000 0.455 255 A N 1.383 124.208 122.820 0.009 0.000 2.569 255 A HA 0.974 5.294 4.320 0.001 0.000 0.290 255 A C -0.417 177.118 177.584 -0.083 0.000 1.136 255 A CA -0.801 51.198 52.037 -0.063 0.000 0.710 255 A CB 1.679 20.530 19.000 -0.249 0.000 1.303 255 A HN 1.064 nan 8.150 nan 0.000 0.413 256 G N -1.608 107.138 108.800 -0.090 0.000 2.591 256 G HA2 0.476 4.437 3.960 0.001 0.000 0.306 256 G HA3 0.476 4.437 3.960 0.001 0.000 0.306 256 G C -0.150 174.595 174.900 -0.258 0.000 1.334 256 G CA -0.533 44.475 45.100 -0.153 0.000 0.981 256 G HN 0.788 nan 8.290 nan 0.000 0.491 257 W N 0.370 121.516 121.300 -0.256 0.000 2.392 257 W HA -0.037 4.624 4.660 0.000 0.000 0.279 257 W C 0.783 177.003 176.519 -0.498 0.000 1.225 257 W CA 0.195 57.292 57.345 -0.413 0.000 1.233 257 W CB 0.058 29.152 29.460 -0.610 0.000 1.122 257 W HN 0.577 nan 8.180 nan 0.000 0.561 258 Y N -0.464 119.946 120.300 0.182 0.000 2.681 258 Y HA 0.195 4.746 4.550 0.001 0.000 0.267 258 Y C -0.178 175.805 175.900 0.138 0.000 1.166 258 Y CA -0.774 57.417 58.100 0.152 0.000 1.209 258 Y CB -0.323 38.225 38.460 0.147 0.000 1.161 258 Y HN -0.272 nan 8.280 nan 0.000 0.534 259 D N -0.718 119.814 120.400 0.220 0.000 2.177 259 D HA 0.297 4.937 4.640 0.001 0.000 0.247 259 D C 1.576 177.972 176.300 0.160 0.000 1.063 259 D CA 0.054 54.201 54.000 0.245 0.000 0.867 259 D CB 1.519 42.493 40.800 0.290 0.000 1.168 259 D HN 0.313 nan 8.370 nan 0.000 0.445 260 G N 2.275 111.122 108.800 0.078 0.000 2.485 260 G HA2 -0.271 3.690 3.960 0.001 0.000 0.221 260 G HA3 -0.271 3.690 3.960 0.001 0.000 0.221 260 G C 1.021 175.780 174.900 -0.235 0.000 1.115 260 G CA 0.523 45.531 45.100 -0.154 0.000 0.751 260 G HN 0.570 nan 8.290 nan 0.000 0.567 261 F N -0.519 119.411 119.950 -0.033 0.000 2.797 261 F HA 0.218 4.745 4.527 0.001 0.000 0.302 261 F C 2.313 178.105 175.800 -0.013 0.000 1.130 261 F CA -0.144 57.834 58.000 -0.036 0.000 1.387 261 F CB 0.218 39.221 39.000 0.005 0.000 1.107 261 F HN 0.022 nan 8.300 nan 0.000 0.577 262 V N 0.503 120.501 119.914 0.140 0.000 2.282 262 V HA -0.286 3.834 4.120 0.001 0.000 0.249 262 V C 2.440 178.569 176.094 0.057 0.000 1.057 262 V CA 2.605 64.944 62.300 0.065 0.000 1.032 262 V CB -0.944 30.907 31.823 0.047 0.000 0.645 262 V HN 0.418 nan 8.190 nan 0.000 0.447 263 G N -1.009 107.831 108.800 0.067 0.000 2.446 263 G HA2 -0.245 3.715 3.960 0.001 0.000 0.217 263 G HA3 -0.245 3.715 3.960 0.001 0.000 0.217 263 G C 1.475 176.405 174.900 0.050 0.000 1.168 263 G CA 0.907 46.047 45.100 0.067 0.000 0.771 263 G HN 0.551 nan 8.290 nan 0.000 0.551 264 E N 0.770 120.993 120.200 0.038 0.000 2.152 264 E HA -0.004 4.347 4.350 0.001 0.000 0.192 264 E C 2.920 179.569 176.600 0.082 0.000 0.983 264 E CA 0.636 57.052 56.400 0.026 0.000 0.818 264 E CB -0.321 29.395 29.700 0.027 0.000 0.758 264 E HN 0.323 nan 8.360 nan 0.000 0.467 265 S N 1.142 116.912 115.700 0.117 0.000 2.359 265 S HA -0.100 4.370 4.470 0.001 0.000 0.224 265 S C 2.128 176.783 174.600 0.092 0.000 1.035 265 S CA 0.870 59.141 58.200 0.119 0.000 1.018 265 S CB -0.225 63.020 63.200 0.075 0.000 0.876 265 S HN 0.185 nan 8.310 nan 0.000 0.448 266 L N 0.695 121.932 121.223 0.024 0.000 2.056 266 L HA -0.065 4.275 4.340 0.001 0.000 0.207 266 L C 2.702 179.710 176.870 0.230 0.000 1.078 266 L CA 1.150 55.996 54.840 0.010 0.000 0.749 266 L CB -0.413 41.604 42.059 -0.069 0.000 0.901 266 L HN 0.192 nan 8.230 nan 0.000 0.433 267 R N -0.243 120.377 120.500 0.200 0.000 2.105 267 R HA -0.174 4.166 4.340 0.001 0.000 0.239 267 R C 2.500 178.998 176.300 0.330 0.000 1.135 267 R CA 2.047 58.294 56.100 0.246 0.000 0.967 267 R CB -0.538 29.789 30.300 0.046 0.000 0.861 267 R HN 0.561 nan 8.270 nan 0.000 0.442 268 T N -1.517 113.166 114.554 0.215 0.000 2.746 268 T HA -0.187 4.164 4.350 0.001 0.000 0.267 268 T C 1.696 176.478 174.700 0.136 0.000 1.039 268 T CA 1.119 63.239 62.100 0.033 0.000 1.142 268 T CB -0.486 68.248 68.868 -0.223 0.000 0.866 268 T HN 0.227 nan 8.240 nan 0.000 0.444 269 F N 2.226 122.251 119.950 0.125 0.000 2.095 269 F HA -0.059 4.468 4.527 0.000 0.000 0.298 269 F C 2.271 178.165 175.800 0.157 0.000 1.104 269 F CA 1.212 59.298 58.000 0.143 0.000 1.232 269 F CB -0.496 38.567 39.000 0.105 0.000 0.987 269 F HN 0.020 nan 8.300 nan 0.000 0.475 270 V N 0.303 120.383 119.914 0.277 0.000 2.515 270 V HA -0.256 3.864 4.120 0.001 0.000 0.250 270 V C 2.647 178.751 176.094 0.017 0.000 1.058 270 V CA 1.625 64.032 62.300 0.178 0.000 1.064 270 V CB -1.462 30.552 31.823 0.318 0.000 0.675 270 V HN 0.489 nan 8.190 nan 0.000 0.461 271 A N 0.303 123.121 122.820 -0.003 0.000 2.014 271 A HA -0.057 4.263 4.320 0.001 0.000 0.218 271 A C 2.225 179.705 177.584 -0.174 0.000 1.163 271 A CA 1.826 53.770 52.037 -0.155 0.000 0.652 271 A CB -0.324 18.414 19.000 -0.437 0.000 0.808 271 A HN 0.629 nan 8.150 nan 0.000 0.449 272 V N -1.770 118.055 119.914 -0.148 0.000 3.565 272 V HA 0.003 4.123 4.120 0.001 0.000 0.260 272 V C 1.963 177.965 176.094 -0.154 0.000 1.231 272 V CA 1.138 63.376 62.300 -0.102 0.000 1.100 272 V CB -0.604 31.242 31.823 0.040 0.000 0.807 272 V HN 0.648 nan 8.190 nan 0.000 0.454 273 K N 0.905 121.124 120.400 -0.301 0.000 2.152 273 K HA -0.224 4.097 4.320 0.001 0.000 0.206 273 K C 1.435 177.943 176.600 -0.153 0.000 1.048 273 K CA 2.229 58.302 56.287 -0.358 0.000 0.933 273 K CB -0.576 31.535 32.500 -0.649 0.000 0.721 273 K HN 0.434 nan 8.250 nan 0.000 0.447 274 D N 0.691 121.029 120.400 -0.102 0.000 2.234 274 D HA -0.062 4.578 4.640 0.001 0.000 0.205 274 D C 1.130 177.409 176.300 -0.035 0.000 0.962 274 D CA 0.807 54.777 54.000 -0.050 0.000 0.855 274 D CB -0.080 40.698 40.800 -0.036 0.000 0.951 274 D HN 0.309 nan 8.370 nan 0.000 0.500 275 N N -0.242 118.433 118.700 -0.042 0.000 2.325 275 N HA 0.231 4.972 4.740 0.001 0.000 0.182 275 N C 0.027 175.527 175.510 -0.017 0.000 1.088 275 N CA 0.157 53.191 53.050 -0.026 0.000 0.879 275 N CB 1.195 39.664 38.487 -0.029 0.000 0.983 275 N HN 0.054 nan 8.380 nan 0.000 0.471 276 A N -0.431 122.377 122.820 -0.020 0.000 2.599 276 A HA 0.348 4.669 4.320 0.001 0.000 0.290 276 A C -1.659 175.931 177.584 0.010 0.000 1.101 276 A CA -0.744 51.286 52.037 -0.011 0.000 0.674 276 A CB 0.670 19.656 19.000 -0.024 0.000 1.277 276 A HN 0.002 nan 8.150 nan 0.000 0.419 277 D N 1.071 121.493 120.400 0.038 0.000 2.357 277 D HA 0.461 5.101 4.640 0.001 0.000 0.265 277 D C 0.286 176.698 176.300 0.187 0.000 1.334 277 D CA 1.020 55.102 54.000 0.138 0.000 0.984 277 D CB 0.230 41.189 40.800 0.266 0.000 1.077 277 D HN 0.810 nan 8.370 nan 0.000 0.514 278 A N 4.760 127.658 122.820 0.130 0.000 2.312 278 A HA 0.787 5.107 4.320 0.001 0.000 0.326 278 A C -0.038 177.773 177.584 0.379 0.000 1.172 278 A CA -0.815 51.322 52.037 0.167 0.000 0.821 278 A CB 1.011 19.931 19.000 -0.134 0.000 1.166 278 A HN 0.503 nan 8.150 nan 0.000 0.493 279 R N 0.338 121.037 120.500 0.332 0.000 2.807 279 R HA 0.706 5.047 4.340 0.001 0.000 0.276 279 R C -1.839 174.514 176.300 0.088 0.000 0.979 279 R CA -0.837 55.391 56.100 0.213 0.000 0.928 279 R CB 1.665 31.922 30.300 -0.072 0.000 1.191 279 R HN 0.606 nan 8.270 nan 0.000 0.471 280 L N 0.748 121.872 121.223 -0.165 0.000 2.436 280 L HA 0.551 4.891 4.340 0.001 0.000 0.268 280 L C -1.488 175.242 176.870 -0.234 0.000 0.974 280 L CA -0.650 53.969 54.840 -0.369 0.000 0.826 280 L CB 2.333 43.827 42.059 -0.941 0.000 1.291 280 L HN 0.331 nan 8.230 nan 0.000 0.406 281 V N 5.288 125.098 119.914 -0.172 0.000 2.577 281 V HA 0.666 4.786 4.120 0.001 0.000 0.303 281 V C -1.001 175.047 176.094 -0.076 0.000 1.042 281 V CA -0.615 61.655 62.300 -0.051 0.000 0.872 281 V CB 2.116 33.944 31.823 0.009 0.000 0.998 281 V HN 0.485 nan 8.190 nan 0.000 0.423 282 V N 3.920 123.752 119.914 -0.138 0.000 2.447 282 V HA 0.786 4.906 4.120 0.001 0.000 0.292 282 V C 0.532 176.192 176.094 -0.723 0.000 1.021 282 V CA -0.237 61.712 62.300 -0.586 0.000 0.850 282 V CB 1.577 32.680 31.823 -1.200 0.000 1.005 282 V HN 0.931 nan 8.190 nan 0.000 0.426 283 G N 4.142 112.178 108.800 -1.273 0.000 2.552 283 G HA2 0.681 4.641 3.960 0.001 0.000 0.324 283 G HA3 0.681 4.641 3.960 0.001 0.000 0.324 283 G C -2.360 171.461 174.900 -1.798 0.000 1.217 283 G CA -1.644 42.194 45.100 -2.103 0.000 0.989 283 G HN 0.500 nan 8.290 nan 0.000 0.490 284 P HA 0.124 nan 4.420 nan 0.000 0.243 284 P C -0.607 176.513 177.300 -0.299 0.000 1.668 284 P CA -0.234 62.413 63.100 -0.756 0.000 0.898 284 P CB -0.037 30.845 31.700 -1.363 0.000 1.637 285 W N 0.954 122.271 121.300 0.028 0.000 2.375 285 W HA 0.358 5.019 4.660 0.000 0.000 0.336 285 W C 0.977 177.600 176.519 0.173 0.000 1.160 285 W CA -0.498 56.902 57.345 0.090 0.000 1.266 285 W CB 0.511 29.992 29.460 0.035 0.000 1.195 285 W HN -0.005 nan 8.180 nan 0.000 0.599 286 S N -0.729 115.198 115.700 0.377 0.000 2.745 286 S HA 0.166 4.636 4.470 0.001 0.000 0.292 286 S C 0.665 175.400 174.600 0.224 0.000 1.133 286 S CA -0.258 58.114 58.200 0.287 0.000 0.998 286 S CB 1.531 64.849 63.200 0.195 0.000 1.087 286 S HN 0.517 nan 8.310 nan 0.000 0.551 287 H N 0.964 120.089 119.070 0.093 0.000 2.422 287 H HA -0.037 4.519 4.556 0.001 0.000 0.298 287 H C 1.955 177.266 175.328 -0.029 0.000 1.098 287 H CA 2.343 58.419 56.048 0.046 0.000 1.315 287 H CB -0.008 29.775 29.762 0.035 0.000 1.382 287 H HN 0.696 nan 8.280 nan 0.000 0.523 288 S N -1.687 114.031 115.700 0.029 0.000 2.559 288 S HA 0.079 4.550 4.470 0.001 0.000 0.226 288 S C 0.320 174.894 174.600 -0.043 0.000 1.000 288 S CA -0.372 57.796 58.200 -0.054 0.000 0.948 288 S CB 0.280 63.430 63.200 -0.084 0.000 0.870 288 S HN 0.295 nan 8.310 nan 0.000 0.497 289 N N 1.111 119.814 118.700 0.006 0.000 2.623 289 N HA 0.410 5.150 4.740 0.001 0.000 0.256 289 N C -1.095 174.469 175.510 0.089 0.000 1.045 289 N CA -0.513 52.555 53.050 0.030 0.000 0.863 289 N CB 0.982 39.496 38.487 0.045 0.000 1.182 289 N HN 0.144 nan 8.380 nan 0.000 0.523 290 L N 2.538 123.748 121.223 -0.021 0.000 3.062 290 L HA 0.281 4.622 4.340 0.001 0.000 0.255 290 L C 1.805 178.684 176.870 0.015 0.000 1.274 290 L CA 0.016 54.782 54.840 -0.123 0.000 1.047 290 L CB 0.340 42.057 42.059 -0.570 0.000 1.402 290 L HN 0.642 nan 8.230 nan 0.000 0.550 291 T N -4.827 109.798 114.554 0.118 0.000 3.051 291 T HA 0.226 4.576 4.350 0.001 0.000 0.255 291 T C 1.652 176.470 174.700 0.197 0.000 1.085 291 T CA 0.667 62.839 62.100 0.121 0.000 1.109 291 T CB 0.253 69.159 68.868 0.064 0.000 0.921 291 T HN 0.382 nan 8.240 nan 0.000 0.488 292 G N 1.604 110.577 108.800 0.288 0.000 2.176 292 G HA2 -0.235 3.725 3.960 0.001 0.000 0.253 292 G HA3 -0.235 3.725 3.960 0.001 0.000 0.253 292 G C 0.102 175.137 174.900 0.225 0.000 0.979 292 G CA -0.027 45.263 45.100 0.318 0.000 0.641 292 G HN 0.713 nan 8.290 nan 0.000 0.530 293 R N 0.554 121.121 120.500 0.113 0.000 2.494 293 R HA 0.607 4.947 4.340 0.001 0.000 0.305 293 R C -0.449 175.830 176.300 -0.035 0.000 0.959 293 R CA -0.689 55.411 56.100 -0.001 0.000 0.864 293 R CB 1.155 31.454 30.300 -0.000 0.000 1.159 293 R HN 0.265 nan 8.270 nan 0.000 0.446 294 N N 0.406 119.033 118.700 -0.123 0.000 2.571 294 N HA 0.222 4.962 4.740 0.001 0.000 0.273 294 N C 0.342 175.762 175.510 -0.151 0.000 1.340 294 N CA -0.428 52.542 53.050 -0.135 0.000 0.789 294 N CB 1.877 40.257 38.487 -0.179 0.000 1.514 294 N HN 0.480 nan 8.380 nan 0.000 0.499 295 A N 0.246 122.986 122.820 -0.133 0.000 1.927 295 A HA -0.183 4.137 4.320 0.001 0.000 0.220 295 A C 0.812 178.308 177.584 -0.148 0.000 1.185 295 A CA 1.819 53.783 52.037 -0.122 0.000 0.639 295 A CB -0.191 18.745 19.000 -0.106 0.000 0.820 295 A HN 0.675 nan 8.150 nan 0.000 0.451 296 D N -2.574 117.711 120.400 -0.192 0.000 2.513 296 D HA 0.253 4.893 4.640 0.001 0.000 0.222 296 D C -0.064 176.039 176.300 -0.327 0.000 1.210 296 D CA 0.051 53.913 54.000 -0.229 0.000 0.825 296 D CB 0.580 41.252 40.800 -0.213 0.000 1.037 296 D HN 0.265 nan 8.370 nan 0.000 0.506 297 R N 0.878 121.164 120.500 -0.356 0.000 2.518 297 R HA 0.278 4.619 4.340 0.001 0.000 0.287 297 R C -1.730 174.231 176.300 -0.566 0.000 1.135 297 R CA -0.451 55.344 56.100 -0.507 0.000 0.967 297 R CB 0.941 30.880 30.300 -0.601 0.000 1.212 297 R HN -0.345 nan 8.270 nan 0.000 0.422 298 K N 3.796 123.922 120.400 -0.457 0.000 2.274 298 K HA 0.392 4.713 4.320 0.001 0.000 0.262 298 K C -0.399 176.018 176.600 -0.305 0.000 0.961 298 K CA -0.281 55.813 56.287 -0.321 0.000 0.833 298 K CB 0.742 33.161 32.500 -0.135 0.000 1.102 298 K HN 0.438 nan 8.250 nan 0.000 0.436 299 F N 1.045 121.015 119.950 0.033 0.000 2.749 299 F HA 0.305 4.833 4.527 0.001 0.000 0.300 299 F C 1.075 176.959 175.800 0.139 0.000 1.103 299 F CA 0.155 58.203 58.000 0.079 0.000 1.342 299 F CB 0.160 39.114 39.000 -0.077 0.000 1.098 299 F HN 0.725 nan 8.300 nan 0.000 0.586 300 G N 0.668 109.602 108.800 0.222 0.000 2.663 300 G HA2 -0.227 3.733 3.960 0.001 0.000 0.686 300 G HA3 -0.227 3.733 3.960 0.001 0.000 0.686 300 G C 0.548 175.561 174.900 0.187 0.000 1.246 300 G CA -0.344 44.873 45.100 0.195 0.000 0.795 300 G HN 0.241 nan 8.290 nan 0.000 0.627 301 I N 0.955 121.619 120.570 0.157 0.000 2.423 301 I HA -0.057 4.113 4.170 0.001 0.000 0.254 301 I C 2.689 178.925 176.117 0.198 0.000 1.151 301 I CA 2.399 63.787 61.300 0.146 0.000 1.421 301 I CB -0.151 37.913 38.000 0.107 0.000 1.079 301 I HN 0.901 nan 8.210 nan 0.000 0.431 302 A N 0.337 123.316 122.820 0.266 0.000 2.015 302 A HA -0.038 4.283 4.320 0.001 0.000 0.219 302 A C 2.395 180.295 177.584 0.526 0.000 1.163 302 A CA 1.304 53.583 52.037 0.403 0.000 0.646 302 A CB -0.657 18.628 19.000 0.475 0.000 0.806 302 A HN 0.521 nan 8.150 nan 0.000 0.448 303 A N -0.590 122.368 122.820 0.229 0.000 2.066 303 A HA 0.120 4.440 4.320 0.001 0.000 0.218 303 A C 1.358 179.107 177.584 0.275 0.000 1.157 303 A CA 1.159 53.084 52.037 -0.187 0.000 0.670 303 A CB -0.979 17.662 19.000 -0.598 0.000 0.804 303 A HN 0.347 nan 8.150 nan 0.000 0.453 304 T N 0.413 115.139 114.554 0.287 0.000 2.905 304 T HA 0.060 4.410 4.350 0.001 0.000 0.299 304 T C -0.012 174.883 174.700 0.326 0.000 1.024 304 T CA 0.091 62.361 62.100 0.283 0.000 1.151 304 T CB -0.197 68.768 68.868 0.161 0.000 0.987 304 T HN 0.292 nan 8.240 nan 0.000 0.535 305 Y N 6.714 127.040 120.300 0.043 0.000 2.863 305 Y HA 0.070 4.620 4.550 0.001 0.000 0.359 305 Y C -1.712 174.149 175.900 -0.065 0.000 1.312 305 Y CA -1.981 55.979 58.100 -0.233 0.000 1.650 305 Y CB 0.251 38.283 38.460 -0.712 0.000 1.201 305 Y HN 0.380 nan 8.280 nan 0.000 0.531 306 P HA 0.081 nan 4.420 nan 0.000 0.238 306 P C 0.885 177.926 177.300 -0.431 0.000 1.794 306 P CA 0.205 63.116 63.100 -0.315 0.000 1.088 306 P CB 0.138 31.672 31.700 -0.277 0.000 1.923 307 I N 1.376 121.795 120.570 -0.253 0.000 2.264 307 I HA -0.325 3.845 4.170 0.001 0.000 0.248 307 I C 2.163 178.203 176.117 -0.128 0.000 1.111 307 I CA 1.752 62.986 61.300 -0.111 0.000 1.382 307 I CB 0.165 38.185 38.000 0.035 0.000 1.060 307 I HN 0.116 nan 8.210 nan 0.000 0.418 308 Q N 1.033 120.757 119.800 -0.127 0.000 2.083 308 Q HA -0.206 4.134 4.340 0.001 0.000 0.198 308 Q C 1.971 177.911 176.000 -0.101 0.000 0.969 308 Q CA 1.852 57.590 55.803 -0.109 0.000 0.838 308 Q CB -0.201 28.482 28.738 -0.092 0.000 0.900 308 Q HN 0.551 nan 8.270 nan 0.000 0.436 309 E N -0.384 119.737 120.200 -0.132 0.000 2.110 309 E HA -0.180 4.170 4.350 0.001 0.000 0.193 309 E C 1.801 178.330 176.600 -0.119 0.000 0.988 309 E CA 0.926 57.244 56.400 -0.138 0.000 0.804 309 E CB -0.175 29.401 29.700 -0.206 0.000 0.745 309 E HN 0.451 nan 8.360 nan 0.000 0.458 310 A N 0.915 123.645 122.820 -0.151 0.000 1.902 310 A HA -0.176 4.144 4.320 0.001 0.000 0.217 310 A C 2.370 180.027 177.584 0.121 0.000 1.181 310 A CA 1.842 53.859 52.037 -0.033 0.000 0.623 310 A CB -0.803 18.125 19.000 -0.119 0.000 0.818 310 A HN 0.175 nan 8.150 nan 0.000 0.443 311 T N -0.172 114.392 114.554 0.016 0.000 2.708 311 T HA -0.124 4.226 4.350 0.001 0.000 0.266 311 T C 2.027 176.841 174.700 0.191 0.000 1.037 311 T CA 1.962 64.099 62.100 0.060 0.000 1.146 311 T CB -0.616 68.183 68.868 -0.116 0.000 0.865 311 T HN 0.550 nan 8.240 nan 0.000 0.435 312 T N 2.231 116.835 114.554 0.084 0.000 2.708 312 T HA -0.046 4.304 4.350 0.001 0.000 0.266 312 T C 1.959 176.704 174.700 0.074 0.000 1.037 312 T CA 1.206 63.352 62.100 0.078 0.000 1.146 312 T CB -0.357 68.520 68.868 0.016 0.000 0.865 312 T HN 0.279 nan 8.240 nan 0.000 0.435 313 M N 0.087 119.712 119.600 0.041 0.000 2.086 313 M HA -0.176 4.304 4.480 0.001 0.000 0.261 313 M C 2.199 178.462 176.300 -0.062 0.000 1.067 313 M CA 1.832 57.120 55.300 -0.019 0.000 1.116 313 M CB -0.228 32.325 32.600 -0.078 0.000 1.348 313 M HN 0.298 nan 8.290 nan 0.000 0.407 314 H N -0.128 118.862 119.070 -0.133 0.000 2.352 314 H HA -0.144 4.412 4.556 0.001 0.000 0.299 314 H C 2.067 177.130 175.328 -0.443 0.000 1.097 314 H CA 1.971 57.799 56.048 -0.366 0.000 1.311 314 H CB -0.147 29.499 29.762 -0.192 0.000 1.377 314 H HN 0.345 nan 8.280 nan 0.000 0.504 315 K N 0.063 120.479 120.400 0.027 0.000 2.057 315 K HA -0.076 4.244 4.320 0.001 0.000 0.206 315 K C 2.281 178.916 176.600 0.057 0.000 1.050 315 K CA 0.914 57.226 56.287 0.042 0.000 0.935 315 K CB -0.050 32.612 32.500 0.269 0.000 0.715 315 K HN 0.283 nan 8.250 nan 0.000 0.439 316 A N 0.610 123.457 122.820 0.045 0.000 1.898 316 A HA -0.151 4.169 4.320 0.001 0.000 0.216 316 A C 1.943 179.537 177.584 0.017 0.000 1.181 316 A CA 1.095 53.156 52.037 0.040 0.000 0.620 316 A CB -0.727 18.291 19.000 0.030 0.000 0.819 316 A HN 0.456 nan 8.150 nan 0.000 0.442 317 F N -0.016 119.811 119.950 -0.205 0.000 2.069 317 F HA -0.174 4.353 4.527 0.001 0.000 0.298 317 F C 1.848 177.585 175.800 -0.106 0.000 1.113 317 F CA 1.746 59.609 58.000 -0.228 0.000 1.214 317 F CB -0.429 38.297 39.000 -0.457 0.000 0.978 317 F HN 0.224 nan 8.300 nan 0.000 0.474 318 F N 0.728 120.670 119.950 -0.015 0.000 2.234 318 F HA -0.127 4.400 4.527 0.000 0.000 0.299 318 F C 2.323 178.139 175.800 0.027 0.000 1.087 318 F CA 1.156 59.106 58.000 -0.083 0.000 1.340 318 F CB -1.304 37.529 39.000 -0.278 0.000 1.031 318 F HN -0.010 nan 8.300 nan 0.000 0.500 319 D N -0.166 120.362 120.400 0.213 0.000 2.144 319 D HA -0.156 4.484 4.640 0.001 0.000 0.199 319 D C 2.358 178.653 176.300 -0.009 0.000 0.984 319 D CA 0.980 55.069 54.000 0.148 0.000 0.834 319 D CB -0.257 40.616 40.800 0.120 0.000 0.955 319 D HN 0.102 nan 8.370 nan 0.000 0.465 320 R N 0.037 120.448 120.500 -0.147 0.000 2.066 320 R HA -0.089 4.252 4.340 0.001 0.000 0.232 320 R C 1.933 177.984 176.300 -0.416 0.000 1.131 320 R CA 1.547 57.440 56.100 -0.345 0.000 0.955 320 R CB -0.279 29.683 30.300 -0.563 0.000 0.851 320 R HN 0.289 nan 8.270 nan 0.000 0.432 321 H N -1.387 117.589 119.070 -0.157 0.000 2.553 321 H HA 0.167 4.724 4.556 0.001 0.000 0.276 321 H C 1.342 176.640 175.328 -0.050 0.000 0.979 321 H CA 0.844 56.799 56.048 -0.155 0.000 1.268 321 H CB 0.517 30.085 29.762 -0.323 0.000 1.450 321 H HN 0.148 nan 8.280 nan 0.000 0.527 322 L N -0.183 121.111 121.223 0.118 0.000 2.408 322 L HA 0.143 4.484 4.340 0.001 0.000 0.215 322 L C 2.067 178.972 176.870 0.059 0.000 1.081 322 L CA 0.831 55.738 54.840 0.111 0.000 0.840 322 L CB 0.217 42.389 42.059 0.188 0.000 1.002 322 L HN -0.040 nan 8.230 nan 0.000 0.468 323 R N -0.697 119.831 120.500 0.046 0.000 2.365 323 R HA 0.291 4.631 4.340 0.001 0.000 0.223 323 R C 1.058 177.348 176.300 -0.016 0.000 0.899 323 R CA 0.589 56.688 56.100 -0.002 0.000 1.059 323 R CB 0.390 30.686 30.300 -0.008 0.000 1.086 323 R HN 0.288 nan 8.270 nan 0.000 0.522 324 G N 2.238 111.023 108.800 -0.025 0.000 2.203 324 G HA2 -0.314 3.646 3.960 0.001 0.000 0.263 324 G HA3 -0.314 3.646 3.960 0.001 0.000 0.263 324 G C -0.275 174.597 174.900 -0.046 0.000 1.012 324 G CA 0.213 45.290 45.100 -0.038 0.000 0.749 324 G HN 0.411 nan 8.290 nan 0.000 0.512 325 E N 0.970 121.139 120.200 -0.051 0.000 1.858 325 E HA 0.254 4.605 4.350 0.001 0.000 0.267 325 E C 1.839 178.400 176.600 -0.066 0.000 1.215 325 E CA 0.370 56.744 56.400 -0.044 0.000 0.952 325 E CB 0.182 29.867 29.700 -0.025 0.000 1.058 325 E HN 0.507 nan 8.360 nan 0.000 0.407 326 T N -0.347 114.175 114.554 -0.053 0.000 3.007 326 T HA -0.118 4.233 4.350 0.001 0.000 0.270 326 T C 0.789 175.460 174.700 -0.049 0.000 1.107 326 T CA 0.747 62.812 62.100 -0.058 0.000 1.118 326 T CB 0.150 68.997 68.868 -0.036 0.000 0.889 326 T HN 0.179 nan 8.240 nan 0.000 0.506 327 D N 0.608 120.987 120.400 -0.035 0.000 2.363 327 D HA 0.431 5.071 4.640 0.001 0.000 0.214 327 D C 2.008 178.295 176.300 -0.022 0.000 1.093 327 D CA 0.427 54.414 54.000 -0.023 0.000 0.837 327 D CB 0.204 40.997 40.800 -0.011 0.000 0.948 327 D HN 0.523 nan 8.370 nan 0.000 0.507 328 A N 0.409 123.207 122.820 -0.037 0.000 2.024 328 A HA -0.098 4.222 4.320 0.001 0.000 0.220 328 A C 1.854 179.429 177.584 -0.015 0.000 1.164 328 A CA 0.876 52.899 52.037 -0.025 0.000 0.643 328 A CB -0.347 18.633 19.000 -0.035 0.000 0.806 328 A HN 0.254 nan 8.150 nan 0.000 0.451 329 L N -0.281 120.928 121.223 -0.024 0.000 2.741 329 L HA 0.282 4.623 4.340 0.001 0.000 0.237 329 L C 1.003 177.881 176.870 0.012 0.000 1.178 329 L CA -0.379 54.464 54.840 0.005 0.000 0.973 329 L CB -0.127 41.945 42.059 0.022 0.000 1.255 329 L HN 0.340 nan 8.230 nan 0.000 0.498 330 A N 0.106 122.929 122.820 0.005 0.000 2.546 330 A HA 0.362 4.683 4.320 0.001 0.000 0.243 330 A C 1.540 179.131 177.584 0.012 0.000 1.063 330 A CA 0.779 52.822 52.037 0.010 0.000 0.757 330 A CB -0.213 18.791 19.000 0.006 0.000 0.991 330 A HN 0.643 nan 8.150 nan 0.000 0.503 331 G N 1.008 109.817 108.800 0.016 0.000 2.189 331 G HA2 -0.195 3.765 3.960 0.001 0.000 0.267 331 G HA3 -0.195 3.765 3.960 0.001 0.000 0.267 331 G C 0.242 175.149 174.900 0.011 0.000 0.975 331 G CA 0.354 45.462 45.100 0.014 0.000 0.644 331 G HN 1.484 nan 8.290 nan 0.000 0.537 332 V N 3.187 123.110 119.914 0.015 0.000 2.461 332 V HA 0.450 4.570 4.120 0.001 0.000 0.275 332 V C -0.759 175.350 176.094 0.026 0.000 1.047 332 V CA -1.284 61.022 62.300 0.011 0.000 0.955 332 V CB 1.225 33.056 31.823 0.013 0.000 0.988 332 V HN 0.293 nan 8.190 nan 0.000 0.471 333 P HA 0.208 nan 4.420 nan 0.000 0.272 333 P C 0.288 177.621 177.300 0.055 0.000 1.223 333 P CA -0.494 62.628 63.100 0.038 0.000 0.784 333 P CB 1.364 33.082 31.700 0.031 0.000 0.923 334 K N 0.712 121.166 120.400 0.091 0.000 2.097 334 K HA 0.036 4.357 4.320 0.001 0.000 0.205 334 K C 0.279 176.939 176.600 0.099 0.000 1.050 334 K CA 1.229 57.601 56.287 0.143 0.000 0.938 334 K CB -0.151 32.466 32.500 0.194 0.000 0.718 334 K HN 0.325 nan 8.250 nan 0.000 0.442 335 V N 0.161 120.108 119.914 0.055 0.000 2.808 335 V HA 0.430 4.551 4.120 0.001 0.000 0.308 335 V C -1.256 174.856 176.094 0.030 0.000 1.099 335 V CA -1.000 61.291 62.300 -0.015 0.000 0.920 335 V CB 1.966 33.803 31.823 0.022 0.000 1.014 335 V HN 0.092 nan 8.190 nan 0.000 0.425 336 R N 4.207 124.720 120.500 0.021 0.000 2.502 336 R HA 0.757 5.097 4.340 0.001 0.000 0.298 336 R C -1.945 174.506 176.300 0.251 0.000 1.018 336 R CA -0.443 55.731 56.100 0.123 0.000 0.899 336 R CB 1.237 31.561 30.300 0.040 0.000 1.181 336 R HN 0.729 nan 8.270 nan 0.000 0.444 337 L N 4.351 125.761 121.223 0.313 0.000 2.346 337 L HA 0.526 4.866 4.340 0.001 0.000 0.274 337 L C -0.640 176.329 176.870 0.165 0.000 1.007 337 L CA -1.026 53.973 54.840 0.265 0.000 0.818 337 L CB 1.834 44.065 42.059 0.287 0.000 1.284 337 L HN 0.529 nan 8.230 nan 0.000 0.424 338 F N 3.091 122.802 119.950 -0.399 0.000 2.413 338 F HA 0.345 4.872 4.527 0.000 0.000 0.359 338 F C -0.010 175.621 175.800 -0.281 0.000 1.122 338 F CA -0.434 57.068 58.000 -0.831 0.000 1.160 338 F CB 0.896 38.978 39.000 -1.530 0.000 1.146 338 F HN 0.058 nan 8.300 nan 0.000 0.514 339 V N 8.410 127.975 119.914 -0.582 0.000 2.372 339 V HA 0.109 4.229 4.120 0.001 0.000 0.261 339 V C 0.617 176.408 176.094 -0.504 0.000 1.055 339 V CA -0.382 61.676 62.300 -0.404 0.000 0.930 339 V CB 0.348 31.991 31.823 -0.301 0.000 1.031 339 V HN 0.777 nan 8.190 nan 0.000 0.479 340 M N 3.380 122.784 119.600 -0.326 0.000 2.198 340 M HA 0.447 4.928 4.480 0.001 0.000 0.315 340 M C 1.572 177.761 176.300 -0.184 0.000 1.134 340 M CA 1.377 56.587 55.300 -0.150 0.000 1.171 340 M CB 0.426 32.978 32.600 -0.081 0.000 1.413 340 M HN 0.861 nan 8.290 nan 0.000 0.467 341 G N 1.029 109.795 108.800 -0.057 0.000 4.365 341 G HA2 -0.307 3.654 3.960 0.001 0.000 0.214 341 G HA3 -0.307 3.654 3.960 0.001 0.000 0.214 341 G C 0.632 175.453 174.900 -0.131 0.000 1.450 341 G CA 0.458 45.455 45.100 -0.172 0.000 0.937 341 G HN 0.856 nan 8.290 nan 0.000 0.625 342 I N -1.331 119.135 120.570 -0.173 0.000 2.928 342 I HA 0.251 4.421 4.170 0.001 0.000 0.266 342 I C 0.411 176.433 176.117 -0.158 0.000 1.234 342 I CA 1.127 62.338 61.300 -0.148 0.000 1.483 342 I CB -0.414 37.490 38.000 -0.161 0.000 1.097 342 I HN 0.179 nan 8.210 nan 0.000 0.455 343 D N 2.729 122.998 120.400 -0.218 0.000 2.735 343 D HA -0.177 4.464 4.640 0.001 0.000 0.235 343 D C -0.289 175.654 176.300 -0.595 0.000 1.175 343 D CA 1.029 54.874 54.000 -0.258 0.000 0.683 343 D CB -1.007 39.935 40.800 0.236 0.000 1.008 343 D HN 0.725 nan 8.370 nan 0.000 0.416 344 E N -1.086 118.524 120.200 -0.984 0.000 2.340 344 E HA 0.415 4.765 4.350 0.001 0.000 0.273 344 E C -0.325 175.809 176.600 -0.777 0.000 0.891 344 E CA -0.890 55.123 56.400 -0.644 0.000 0.757 344 E CB 1.104 30.648 29.700 -0.260 0.000 1.231 344 E HN 0.057 nan 8.360 nan 0.000 0.439 345 W N 1.897 123.030 121.300 -0.279 0.000 2.190 345 W HA 0.285 4.945 4.660 0.001 0.000 0.330 345 W C 0.591 177.057 176.519 -0.089 0.000 1.299 345 W CA 0.073 57.359 57.345 -0.098 0.000 1.215 345 W CB 0.669 30.163 29.460 0.056 0.000 1.147 345 W HN 0.169 nan 8.180 nan 0.000 0.563 346 R N 2.012 122.638 120.500 0.210 0.000 2.604 346 R HA 0.203 4.543 4.340 0.001 0.000 0.281 346 R C -1.320 175.066 176.300 0.143 0.000 1.020 346 R CA -0.779 55.392 56.100 0.117 0.000 0.899 346 R CB 1.294 31.613 30.300 0.032 0.000 1.205 346 R HN 0.335 nan 8.270 nan 0.000 0.450 347 D N 2.189 122.650 120.400 0.101 0.000 2.283 347 D HA 0.314 4.954 4.640 0.001 0.000 0.248 347 D C -0.288 176.062 176.300 0.082 0.000 1.072 347 D CA 0.098 54.150 54.000 0.087 0.000 0.929 347 D CB 1.322 42.159 40.800 0.061 0.000 1.182 347 D HN 0.327 nan 8.370 nan 0.000 0.433 348 E N -0.653 119.601 120.200 0.090 0.000 2.433 348 E HA 0.227 4.577 4.350 0.001 0.000 0.278 348 E C 0.257 176.920 176.600 0.105 0.000 0.976 348 E CA -0.455 56.004 56.400 0.098 0.000 0.793 348 E CB 1.553 31.331 29.700 0.129 0.000 1.311 348 E HN 0.400 nan 8.360 nan 0.000 0.460 349 T N -3.059 111.560 114.554 0.109 0.000 3.037 349 T HA 0.174 4.525 4.350 0.001 0.000 0.251 349 T C 0.225 175.031 174.700 0.177 0.000 1.079 349 T CA 0.335 62.508 62.100 0.123 0.000 1.067 349 T CB 0.343 69.267 68.868 0.094 0.000 0.948 349 T HN 0.245 nan 8.240 nan 0.000 0.496 350 D N -1.112 119.409 120.400 0.201 0.000 2.648 350 D HA 0.321 4.962 4.640 0.001 0.000 0.244 350 D C -2.251 174.251 176.300 0.337 0.000 1.244 350 D CA -0.687 53.490 54.000 0.295 0.000 0.772 350 D CB 1.713 42.641 40.800 0.213 0.000 1.379 350 D HN 0.159 nan 8.370 nan 0.000 0.428 351 W N 3.481 124.950 121.300 0.281 0.000 2.781 351 W HA 0.460 5.120 4.660 0.000 0.000 0.333 351 W C -2.865 173.832 176.519 0.296 0.000 1.047 351 W CA -1.843 55.619 57.345 0.195 0.000 1.236 351 W CB 1.556 31.010 29.460 -0.010 0.000 1.394 351 W HN 0.195 nan 8.180 nan 0.000 0.466 352 P HA -0.058 nan 4.420 nan 0.000 0.267 352 P C -0.175 176.947 177.300 -0.296 0.000 1.201 352 P CA 0.115 62.763 63.100 -0.754 0.000 0.775 352 P CB 0.642 32.121 31.700 -0.369 0.000 0.854 353 L N 5.244 126.273 121.223 -0.324 0.000 2.485 353 L HA 0.053 4.393 4.340 0.001 0.000 0.275 353 L C -1.208 175.607 176.870 -0.091 0.000 1.207 353 L CA -0.496 54.274 54.840 -0.117 0.000 0.855 353 L CB -0.405 41.587 42.059 -0.112 0.000 1.114 353 L HN 0.429 nan 8.230 nan 0.000 0.485 354 P HA -0.097 nan 4.420 nan 0.000 0.220 354 P C 0.063 177.347 177.300 -0.027 0.000 1.148 354 P CA 1.081 64.177 63.100 -0.007 0.000 0.803 354 P CB 0.250 31.960 31.700 0.017 0.000 0.782 355 D N -2.197 118.172 120.400 -0.052 0.000 2.388 355 D HA 0.049 4.690 4.640 0.001 0.000 0.221 355 D C -0.085 176.151 176.300 -0.107 0.000 1.133 355 D CA 0.264 54.230 54.000 -0.057 0.000 0.831 355 D CB -0.641 40.135 40.800 -0.040 0.000 0.962 355 D HN 0.036 nan 8.370 nan 0.000 0.502 356 T N 1.195 115.643 114.554 -0.176 0.000 2.853 356 T HA 0.368 4.718 4.350 0.001 0.000 0.298 356 T C 0.423 174.920 174.700 -0.340 0.000 0.978 356 T CA -0.221 61.672 62.100 -0.345 0.000 1.152 356 T CB 1.011 69.519 68.868 -0.601 0.000 0.914 356 T HN 0.071 nan 8.240 nan 0.000 0.539 357 A N 4.265 126.913 122.820 -0.287 0.000 2.341 357 A HA 0.471 4.792 4.320 0.001 0.000 0.326 357 A C -0.532 176.940 177.584 -0.186 0.000 1.402 357 A CA -0.681 51.259 52.037 -0.162 0.000 0.957 357 A CB -0.221 18.738 19.000 -0.068 0.000 1.151 357 A HN 0.827 nan 8.150 nan 0.000 0.533 358 Y N 2.032 122.327 120.300 -0.008 0.000 2.730 358 Y HA 0.201 4.751 4.550 0.000 0.000 0.354 358 Y C 0.778 176.688 175.900 0.017 0.000 1.139 358 Y CA 0.868 58.970 58.100 0.002 0.000 1.516 358 Y CB 0.183 38.640 38.460 -0.004 0.000 1.204 358 Y HN 0.522 nan 8.280 nan 0.000 0.520 359 T N 6.496 121.139 114.554 0.148 0.000 2.786 359 T HA 0.315 4.665 4.350 0.001 0.000 0.283 359 T C -2.705 172.074 174.700 0.133 0.000 0.992 359 T CA -1.993 60.176 62.100 0.114 0.000 0.954 359 T CB 1.413 70.372 68.868 0.152 0.000 0.934 359 T HN 0.154 nan 8.240 nan 0.000 0.440 360 P HA 0.339 nan 4.420 nan 0.000 0.271 360 P C -1.006 176.081 177.300 -0.355 0.000 1.220 360 P CA -0.365 62.537 63.100 -0.330 0.000 0.768 360 P CB 0.181 31.340 31.700 -0.901 0.000 0.848 361 F N 2.787 122.520 119.950 -0.361 0.000 2.427 361 F HA 0.358 4.886 4.527 0.000 0.000 0.348 361 F C 0.041 175.704 175.800 -0.228 0.000 1.125 361 F CA -0.429 57.431 58.000 -0.234 0.000 0.989 361 F CB 0.790 39.720 39.000 -0.116 0.000 1.165 361 F HN 0.237 nan 8.300 nan 0.000 0.442 362 Y N 3.552 123.924 120.300 0.120 0.000 2.308 362 Y HA 0.440 4.991 4.550 0.001 0.000 0.329 362 Y C 0.303 176.237 175.900 0.057 0.000 1.111 362 Y CA -0.845 57.314 58.100 0.098 0.000 1.179 362 Y CB 0.686 39.169 38.460 0.038 0.000 1.201 362 Y HN 0.298 nan 8.280 nan 0.000 0.483 363 L N 3.276 124.577 121.223 0.130 0.000 2.416 363 L HA 0.540 4.880 4.340 0.001 0.000 0.272 363 L C 0.767 177.698 176.870 0.102 0.000 1.161 363 L CA 0.152 54.954 54.840 -0.063 0.000 0.845 363 L CB 0.098 41.891 42.059 -0.443 0.000 1.119 363 L HN 0.908 nan 8.230 nan 0.000 0.464 364 G N 0.676 109.593 108.800 0.196 0.000 2.650 364 G HA2 0.721 4.681 3.960 0.001 0.000 0.310 364 G HA3 0.721 4.681 3.960 0.001 0.000 0.310 364 G C -0.726 174.304 174.900 0.217 0.000 1.270 364 G CA -0.163 45.048 45.100 0.185 0.000 0.810 364 G HN 0.975 nan 8.290 nan 0.000 0.493 365 G N -1.539 107.343 108.800 0.136 0.000 2.428 365 G HA2 0.454 4.414 3.960 0.001 0.000 0.681 365 G HA3 0.454 4.414 3.960 0.001 0.000 0.681 365 G C -0.406 174.538 174.900 0.073 0.000 1.340 365 G CA 0.094 45.256 45.100 0.102 0.000 0.915 365 G HN 1.388 nan 8.290 nan 0.000 0.645 366 S N 0.527 116.256 115.700 0.049 0.000 2.584 366 S HA 0.762 5.232 4.470 0.001 0.000 0.273 366 S C 1.269 175.887 174.600 0.031 0.000 1.311 366 S CA 1.422 59.644 58.200 0.036 0.000 1.034 366 S CB 1.000 64.214 63.200 0.025 0.000 0.939 366 S HN 2.587 nan 8.310 nan 0.000 0.513 367 G N 1.584 110.402 108.800 0.029 0.000 2.509 367 G HA2 0.136 4.096 3.960 0.001 0.000 0.256 367 G HA3 0.136 4.096 3.960 0.001 0.000 0.256 367 G C -0.303 174.614 174.900 0.028 0.000 1.152 367 G CA -0.186 44.928 45.100 0.022 0.000 0.951 367 G HN 1.480 nan 8.290 nan 0.000 0.559 368 A N -0.893 121.936 122.820 0.016 0.000 2.386 368 A HA 0.978 5.298 4.320 0.001 0.000 0.311 368 A C 0.731 178.299 177.584 -0.027 0.000 1.068 368 A CA 0.552 52.599 52.037 0.016 0.000 0.743 368 A CB 1.674 20.687 19.000 0.022 0.000 1.258 368 A HN 2.432 nan 8.150 nan 0.000 0.429 369 A N 1.732 124.518 122.820 -0.057 0.000 2.251 369 A HA 0.201 4.522 4.320 0.001 0.000 0.209 369 A C 0.456 177.910 177.584 -0.218 0.000 1.187 369 A CA -0.076 51.821 52.037 -0.234 0.000 0.823 369 A CB -0.724 17.946 19.000 -0.550 0.000 0.846 369 A HN 0.821 nan 8.150 nan 0.000 0.486 370 N N 2.143 120.791 118.700 -0.087 0.000 2.359 370 N HA 0.322 5.063 4.740 0.001 0.000 0.261 370 N C 0.347 175.811 175.510 -0.076 0.000 1.267 370 N CA 1.493 54.509 53.050 -0.057 0.000 0.864 370 N CB -0.091 38.401 38.487 0.009 0.000 1.063 370 N HN 0.594 nan 8.380 nan 0.000 0.474 371 T N -1.374 113.132 114.554 -0.080 0.000 0.541 371 T HA -0.235 4.115 4.350 0.001 0.000 0.774 371 T C 0.841 175.452 174.700 -0.147 0.000 0.992 371 T CA 0.289 62.344 62.100 -0.075 0.000 4.077 371 T CB -1.256 67.588 68.868 -0.041 0.000 2.303 371 T HN 0.741 nan 8.240 nan 0.000 0.398 372 S N -0.698 114.869 115.700 -0.223 0.000 2.522 372 S HA 0.093 4.564 4.470 0.001 0.000 0.227 372 S C 1.787 176.254 174.600 -0.221 0.000 0.986 372 S CA 1.194 59.174 58.200 -0.367 0.000 0.929 372 S CB -0.648 62.010 63.200 -0.903 0.000 0.769 372 S HN 1.961 nan 8.310 nan 0.000 0.529 373 T N -1.444 113.025 114.554 -0.142 0.000 3.145 373 T HA 0.472 4.823 4.350 0.001 0.000 0.255 373 T C 0.929 175.587 174.700 -0.071 0.000 1.039 373 T CA -0.018 62.030 62.100 -0.087 0.000 0.928 373 T CB -0.006 68.830 68.868 -0.054 0.000 1.029 373 T HN 0.369 nan 8.240 nan 0.000 0.554 374 G N 0.343 109.088 108.800 -0.092 0.000 2.588 374 G HA2 0.467 4.428 3.960 0.001 0.000 0.278 374 G HA3 0.467 4.428 3.960 0.001 0.000 0.278 374 G C 0.790 175.647 174.900 -0.072 0.000 1.307 374 G CA -0.426 44.626 45.100 -0.081 0.000 1.016 374 G HN 0.372 nan 8.290 nan 0.000 0.503 375 G N -1.023 107.745 108.800 -0.053 0.000 3.523 375 G HA2 0.444 4.405 3.960 0.001 0.000 0.270 375 G HA3 0.444 4.405 3.960 0.001 0.000 0.270 375 G C 0.738 175.631 174.900 -0.011 0.000 1.134 375 G CA 0.376 45.463 45.100 -0.023 0.000 0.825 375 G HN 0.837 nan 8.290 nan 0.000 0.534 376 G N 0.923 109.675 108.800 -0.080 0.000 2.340 376 G HA2 0.423 4.384 3.960 0.001 0.000 0.245 376 G HA3 0.423 4.384 3.960 0.001 0.000 0.245 376 G C 0.344 175.311 174.900 0.111 0.000 1.294 376 G CA 0.617 45.685 45.100 -0.053 0.000 0.896 376 G HN 0.438 nan 8.290 nan 0.000 0.522 377 T N -0.167 114.541 114.554 0.257 0.000 2.924 377 T HA 0.721 5.071 4.350 0.001 0.000 0.291 377 T C -0.311 174.547 174.700 0.263 0.000 1.045 377 T CA -0.980 61.248 62.100 0.213 0.000 1.015 377 T CB 1.820 70.773 68.868 0.142 0.000 1.103 377 T HN 0.305 nan 8.240 nan 0.000 0.496 378 L N 1.602 122.950 121.223 0.210 0.000 2.346 378 L HA 0.778 5.119 4.340 0.001 0.000 0.276 378 L C -0.174 176.823 176.870 0.210 0.000 1.006 378 L CA -0.787 54.188 54.840 0.225 0.000 0.817 378 L CB 2.050 44.251 42.059 0.238 0.000 1.272 378 L HN 0.927 nan 8.230 nan 0.000 0.421 379 S N -0.551 115.256 115.700 0.178 0.000 2.533 379 S HA 0.243 4.713 4.470 0.001 0.000 0.271 379 S C 0.580 175.127 174.600 -0.088 0.000 1.143 379 S CA -0.048 58.182 58.200 0.049 0.000 0.891 379 S CB 1.718 64.955 63.200 0.061 0.000 1.105 379 S HN 0.770 nan 8.310 nan 0.000 0.468 380 T N 0.847 115.191 114.554 -0.350 0.000 3.051 380 T HA 0.126 4.476 4.350 0.001 0.000 0.269 380 T C 0.652 175.350 174.700 -0.003 0.000 1.127 380 T CA 0.550 62.416 62.100 -0.389 0.000 1.107 380 T CB -0.302 68.260 68.868 -0.509 0.000 0.898 380 T HN 0.380 nan 8.240 nan 0.000 0.517 381 S N 1.056 116.764 115.700 0.013 0.000 2.508 381 S HA 0.541 5.011 4.470 0.001 0.000 0.284 381 S C 0.246 174.757 174.600 -0.149 0.000 1.192 381 S CA -0.846 57.327 58.200 -0.045 0.000 1.070 381 S CB 0.756 63.915 63.200 -0.069 0.000 1.004 381 S HN 0.380 nan 8.310 nan 0.000 0.493 382 I N 2.460 122.710 120.570 -0.534 0.000 2.845 382 I HA -0.066 4.104 4.170 0.001 0.000 0.296 382 I C 1.094 177.027 176.117 -0.308 0.000 1.216 382 I CA 0.268 61.107 61.300 -0.769 0.000 1.438 382 I CB 0.350 37.953 38.000 -0.662 0.000 1.342 382 I HN 0.524 nan 8.210 nan 0.000 0.577 383 S N 4.440 120.020 115.700 -0.201 0.000 2.549 383 S HA 0.147 4.618 4.470 0.001 0.000 0.286 383 S C 1.304 175.853 174.600 -0.086 0.000 1.314 383 S CA 0.007 58.163 58.200 -0.073 0.000 1.062 383 S CB 1.020 64.220 63.200 0.000 0.000 0.865 383 S HN 0.812 nan 8.310 nan 0.000 0.498 384 G N 2.457 111.225 108.800 -0.054 0.000 2.430 384 G HA2 0.100 4.061 3.960 0.001 0.000 0.216 384 G HA3 0.100 4.061 3.960 0.001 0.000 0.216 384 G C 0.613 175.490 174.900 -0.038 0.000 1.146 384 G CA 0.896 45.964 45.100 -0.053 0.000 0.793 384 G HN 0.896 nan 8.290 nan 0.000 0.537 385 T N -0.806 113.738 114.554 -0.016 0.000 2.824 385 T HA 0.471 4.821 4.350 0.001 0.000 0.282 385 T C -0.816 173.893 174.700 0.015 0.000 0.993 385 T CA -0.744 61.354 62.100 -0.003 0.000 0.967 385 T CB 2.296 71.167 68.868 0.006 0.000 0.960 385 T HN -0.097 nan 8.240 nan 0.000 0.441 386 E N 2.551 122.762 120.200 0.020 0.000 2.328 386 E HA 0.323 4.673 4.350 0.001 0.000 0.265 386 E C -0.260 176.379 176.600 0.065 0.000 1.057 386 E CA 0.230 56.662 56.400 0.054 0.000 0.916 386 E CB 1.094 30.832 29.700 0.064 0.000 0.993 386 E HN 0.661 nan 8.360 nan 0.000 0.446 387 S N 1.106 116.853 115.700 0.079 0.000 2.697 387 S HA 0.849 5.320 4.470 0.001 0.000 0.289 387 S C -1.638 172.996 174.600 0.057 0.000 1.149 387 S CA -0.343 57.897 58.200 0.067 0.000 0.850 387 S CB 1.646 64.886 63.200 0.067 0.000 1.151 387 S HN 0.474 nan 8.310 nan 0.000 0.491 388 A N 1.801 124.633 122.820 0.020 0.000 2.459 388 A HA 0.636 4.956 4.320 0.001 0.000 0.296 388 A C -1.886 175.692 177.584 -0.010 0.000 1.039 388 A CA -0.716 51.281 52.037 -0.068 0.000 0.698 388 A CB 1.166 20.044 19.000 -0.203 0.000 1.261 388 A HN 0.702 nan 8.150 nan 0.000 0.405 389 D N 1.661 122.080 120.400 0.032 0.000 2.168 389 D HA 0.615 5.255 4.640 0.001 0.000 0.246 389 D C -0.542 175.819 176.300 0.101 0.000 1.050 389 D CA 0.338 54.403 54.000 0.108 0.000 0.857 389 D CB 1.972 42.899 40.800 0.211 0.000 1.169 389 D HN 0.404 nan 8.370 nan 0.000 0.453 390 T N 1.558 116.184 114.554 0.120 0.000 2.886 390 T HA 0.559 4.909 4.350 0.001 0.000 0.292 390 T C -0.870 173.934 174.700 0.173 0.000 1.012 390 T CA -0.723 61.410 62.100 0.055 0.000 0.982 390 T CB 1.053 69.923 68.868 0.003 0.000 1.018 390 T HN 0.374 nan 8.240 nan 0.000 0.451 391 Y N 0.541 120.890 120.300 0.083 0.000 2.638 391 Y HA 0.811 5.362 4.550 0.000 0.000 0.335 391 Y C -1.774 174.181 175.900 0.091 0.000 1.155 391 Y CA -1.805 56.343 58.100 0.081 0.000 1.046 391 Y CB 0.859 39.375 38.460 0.092 0.000 1.303 391 Y HN 0.520 nan 8.280 nan 0.000 0.460 392 L N 3.221 124.588 121.223 0.240 0.000 2.264 392 L HA 0.434 4.774 4.340 0.001 0.000 0.289 392 L C -1.217 175.842 176.870 0.314 0.000 1.044 392 L CA -0.654 54.281 54.840 0.159 0.000 0.807 392 L CB 0.496 42.611 42.059 0.093 0.000 1.192 392 L HN 0.687 nan 8.230 nan 0.000 0.425 393 Y N 4.921 125.293 120.300 0.120 0.000 2.353 393 Y HA 0.470 5.021 4.550 0.001 0.000 0.340 393 Y C -0.971 174.949 175.900 0.033 0.000 0.972 393 Y CA -1.205 56.966 58.100 0.119 0.000 1.157 393 Y CB 0.809 39.336 38.460 0.111 0.000 1.157 393 Y HN 0.696 nan 8.280 nan 0.000 0.495 394 D N 8.748 129.007 120.400 -0.235 0.000 2.414 394 D HA 0.353 4.993 4.640 0.001 0.000 0.232 394 D C -2.238 173.806 176.300 -0.427 0.000 1.070 394 D CA -2.672 51.106 54.000 -0.369 0.000 0.839 394 D CB 2.234 42.960 40.800 -0.124 0.000 1.079 394 D HN 0.322 nan 8.370 nan 0.000 0.521 395 P HA -0.118 nan 4.420 nan 0.000 0.218 395 P C 0.858 178.050 177.300 -0.180 0.000 1.146 395 P CA 1.138 64.045 63.100 -0.321 0.000 0.813 395 P CB 0.288 31.816 31.700 -0.286 0.000 0.778 396 A N -1.224 121.497 122.820 -0.164 0.000 2.119 396 A HA -0.072 4.248 4.320 0.001 0.000 0.216 396 A C 1.184 178.715 177.584 -0.088 0.000 1.152 396 A CA 1.021 52.984 52.037 -0.122 0.000 0.708 396 A CB -0.585 18.359 19.000 -0.093 0.000 0.805 396 A HN 0.066 nan 8.150 nan 0.000 0.460 397 D N -0.109 120.259 120.400 -0.053 0.000 2.441 397 D HA 0.284 4.924 4.640 0.001 0.000 0.287 397 D C -2.887 173.455 176.300 0.070 0.000 1.198 397 D CA -2.140 51.861 54.000 0.002 0.000 0.894 397 D CB 1.164 41.975 40.800 0.017 0.000 1.070 397 D HN 0.148 nan 8.370 nan 0.000 0.499 398 P HA 0.138 nan 4.420 nan 0.000 0.276 398 P C -0.044 177.332 177.300 0.127 0.000 1.244 398 P CA -0.575 62.609 63.100 0.140 0.000 0.801 398 P CB 1.308 33.031 31.700 0.040 0.000 1.006 399 V N 3.970 123.951 119.914 0.112 0.000 2.458 399 V HA 0.049 4.169 4.120 0.001 0.000 0.287 399 V C -1.600 174.573 176.094 0.132 0.000 1.009 399 V CA -0.865 61.489 62.300 0.091 0.000 1.091 399 V CB -0.368 31.483 31.823 0.047 0.000 0.960 399 V HN 0.602 nan 8.190 nan 0.000 0.476 400 P HA 0.117 nan 4.420 nan 0.000 0.271 400 P C -0.208 177.156 177.300 0.105 0.000 1.218 400 P CA -0.106 63.077 63.100 0.138 0.000 0.780 400 P CB 0.564 32.336 31.700 0.119 0.000 0.901 401 S N 2.074 117.830 115.700 0.094 0.000 2.531 401 S HA 0.312 4.782 4.470 0.001 0.000 0.279 401 S C 0.193 174.845 174.600 0.088 0.000 1.305 401 S CA -0.208 58.037 58.200 0.075 0.000 1.058 401 S CB -0.338 62.886 63.200 0.039 0.000 0.899 401 S HN 0.286 nan 8.310 nan 0.000 0.493 402 L N 3.125 124.381 121.223 0.055 0.000 2.457 402 L HA 0.528 4.869 4.340 0.001 0.000 0.266 402 L C 0.867 177.749 176.870 0.019 0.000 0.979 402 L CA -0.464 54.392 54.840 0.026 0.000 0.857 402 L CB 0.959 43.023 42.059 0.007 0.000 1.213 402 L HN 0.959 nan 8.230 nan 0.000 0.418 403 G N 2.424 111.224 108.800 -0.001 0.000 2.583 403 G HA2 0.008 3.968 3.960 0.001 0.000 0.292 403 G HA3 0.008 3.968 3.960 0.001 0.000 0.292 403 G C 0.591 175.531 174.900 0.066 0.000 1.203 403 G CA 0.047 45.144 45.100 -0.005 0.000 0.987 403 G HN 1.454 nan 8.290 nan 0.000 0.554 404 G N -2.179 106.716 108.800 0.157 0.000 2.574 404 G HA2 0.103 4.063 3.960 0.001 0.000 0.286 404 G HA3 0.103 4.063 3.960 0.001 0.000 0.286 404 G C 1.275 176.328 174.900 0.255 0.000 1.212 404 G CA 2.653 47.907 45.100 0.257 0.000 0.979 404 G HN 2.675 nan 8.290 nan 0.000 0.557 405 T N -0.653 113.981 114.554 0.134 0.000 3.251 405 T HA 0.612 4.962 4.350 0.001 0.000 0.259 405 T C 1.060 175.766 174.700 0.011 0.000 0.998 405 T CA 0.237 62.395 62.100 0.096 0.000 0.905 405 T CB -0.264 68.630 68.868 0.045 0.000 1.067 405 T HN 0.638 nan 8.240 nan 0.000 0.569 406 L N 1.162 122.391 121.223 0.009 0.000 2.573 406 L HA 0.105 4.446 4.340 0.001 0.000 0.290 406 L C 1.346 178.218 176.870 0.003 0.000 1.247 406 L CA 0.024 54.858 54.840 -0.010 0.000 0.876 406 L CB 0.482 42.551 42.059 0.017 0.000 1.123 406 L HN 0.300 nan 8.230 nan 0.000 0.505 407 L N 1.890 123.121 121.223 0.015 0.000 2.347 407 L HA 0.090 4.430 4.340 0.001 0.000 0.196 407 L C 1.260 178.051 176.870 -0.132 0.000 1.072 407 L CA 0.779 55.602 54.840 -0.029 0.000 0.817 407 L CB 0.057 42.134 42.059 0.029 0.000 1.029 407 L HN 0.522 nan 8.230 nan 0.000 0.478 408 F N -2.597 117.395 119.950 0.070 0.000 2.711 408 F HA 0.145 4.673 4.527 0.001 0.000 0.296 408 F C 0.848 176.692 175.800 0.074 0.000 1.096 408 F CA -0.489 57.564 58.000 0.089 0.000 1.280 408 F CB 0.313 39.388 39.000 0.124 0.000 1.060 408 F HN -0.040 nan 8.300 nan 0.000 0.608 409 H N 1.830 120.987 119.070 0.145 0.000 2.846 409 H HA 0.226 4.782 4.556 0.001 0.000 0.278 409 H C 0.075 175.409 175.328 0.011 0.000 1.117 409 H CA -0.651 55.425 56.048 0.047 0.000 1.406 409 H CB -0.354 29.394 29.762 -0.023 0.000 1.445 409 H HN 0.003 nan 8.280 nan 0.000 0.469 410 N N 3.344 121.806 118.700 -0.397 0.000 2.689 410 N HA -0.165 4.575 4.740 0.001 0.000 0.263 410 N C 0.849 176.275 175.510 -0.139 0.000 0.987 410 N CA 1.101 53.976 53.050 -0.291 0.000 0.782 410 N CB -1.035 37.212 38.487 -0.401 0.000 0.903 410 N HN 0.916 nan 8.380 nan 0.000 0.547 411 G N -0.068 108.684 108.800 -0.079 0.000 3.210 411 G HA2 -0.048 3.912 3.960 0.001 0.000 0.220 411 G HA3 -0.048 3.912 3.960 0.001 0.000 0.220 411 G C 0.602 175.483 174.900 -0.031 0.000 1.200 411 G CA 0.259 45.334 45.100 -0.042 0.000 0.834 411 G HN 0.471 nan 8.290 nan 0.000 0.524 412 D N -1.119 119.251 120.400 -0.051 0.000 2.501 412 D HA 0.082 4.722 4.640 0.001 0.000 0.226 412 D C 0.409 176.675 176.300 -0.055 0.000 1.198 412 D CA -0.704 53.273 54.000 -0.038 0.000 0.830 412 D CB 0.067 40.841 40.800 -0.043 0.000 1.014 412 D HN 0.097 nan 8.370 nan 0.000 0.496 413 N N 0.022 118.675 118.700 -0.078 0.000 2.646 413 N HA 0.227 4.967 4.740 0.001 0.000 0.296 413 N C 1.379 176.782 175.510 -0.179 0.000 1.886 413 N CA 0.090 53.067 53.050 -0.121 0.000 0.855 413 N CB 0.609 39.028 38.487 -0.113 0.000 1.336 413 N HN 0.036 nan 8.380 nan 0.000 0.496 414 G N 1.426 110.082 108.800 -0.240 0.000 2.631 414 G HA2 -0.202 3.758 3.960 0.001 0.000 0.219 414 G HA3 -0.202 3.758 3.960 0.001 0.000 0.219 414 G C -1.340 173.121 174.900 -0.733 0.000 1.214 414 G CA 0.667 45.485 45.100 -0.470 0.000 0.785 414 G HN 0.440 nan 8.290 nan 0.000 0.596 415 P HA 0.411 nan 4.420 nan 0.000 0.226 415 P C -0.271 176.901 177.300 -0.214 0.000 1.783 415 P CA -0.122 62.722 63.100 -0.426 0.000 0.980 415 P CB 0.049 31.606 31.700 -0.238 0.000 1.967 416 A N 1.738 124.470 122.820 -0.146 0.000 2.388 416 A HA 0.218 4.539 4.320 0.001 0.000 0.257 416 A C 0.314 177.849 177.584 -0.083 0.000 1.095 416 A CA -0.345 51.625 52.037 -0.113 0.000 0.791 416 A CB 0.018 18.970 19.000 -0.079 0.000 1.029 416 A HN 0.224 nan 8.150 nan 0.000 0.489 417 D N 1.014 121.349 120.400 -0.107 0.000 2.417 417 D HA 0.080 4.720 4.640 0.001 0.000 0.250 417 D C 0.721 176.964 176.300 -0.096 0.000 1.166 417 D CA 0.224 54.164 54.000 -0.100 0.000 0.881 417 D CB 0.777 41.506 40.800 -0.119 0.000 1.164 417 D HN 0.391 nan 8.370 nan 0.000 0.467 418 Q N 3.367 123.109 119.800 -0.096 0.000 2.403 418 Q HA 0.061 4.402 4.340 0.001 0.000 0.203 418 Q C 1.663 177.415 176.000 -0.413 0.000 0.932 418 Q CA 0.141 55.856 55.803 -0.147 0.000 0.945 418 Q CB 0.108 28.823 28.738 -0.038 0.000 1.045 418 Q HN 0.554 nan 8.270 nan 0.000 0.511 419 R N 0.687 120.916 120.500 -0.451 0.000 2.119 419 R HA -0.169 4.171 4.340 0.001 0.000 0.246 419 R C -0.731 175.322 176.300 -0.413 0.000 1.146 419 R CA 1.537 57.243 56.100 -0.657 0.000 0.962 419 R CB -1.121 29.054 30.300 -0.207 0.000 0.863 419 R HN 0.206 nan 8.270 nan 0.000 0.442 420 P HA -0.144 nan 4.420 nan 0.000 0.223 420 P C 0.901 178.158 177.300 -0.072 0.000 1.144 420 P CA 1.323 64.362 63.100 -0.102 0.000 0.783 420 P CB -0.009 31.653 31.700 -0.064 0.000 0.771 421 I N -5.278 115.226 120.570 -0.110 0.000 4.124 421 I HA 0.110 4.280 4.170 0.001 0.000 0.311 421 I C 1.843 177.986 176.117 0.044 0.000 1.259 421 I CA 0.128 61.414 61.300 -0.023 0.000 1.315 421 I CB -1.439 36.559 38.000 -0.004 0.000 1.223 421 I HN -0.044 nan 8.210 nan 0.000 0.441 422 H N 0.966 120.041 119.070 0.008 0.000 2.606 422 H HA 0.084 4.640 4.556 0.000 0.000 0.283 422 H C -0.130 175.191 175.328 -0.011 0.000 1.084 422 H CA 0.656 56.701 56.048 -0.004 0.000 1.191 422 H CB -0.908 28.856 29.762 0.004 0.000 1.289 422 H HN 0.600 nan 8.280 nan 0.000 0.628 423 D N -0.176 120.346 120.400 0.205 0.000 2.433 423 D HA 0.085 4.726 4.640 0.001 0.000 0.211 423 D C 0.284 176.621 176.300 0.062 0.000 1.114 423 D CA -0.509 53.565 54.000 0.123 0.000 0.837 423 D CB 0.238 41.107 40.800 0.115 0.000 0.984 423 D HN 0.192 nan 8.370 nan 0.000 0.505 424 R N 0.719 121.250 120.500 0.051 0.000 2.390 424 R HA 0.180 4.520 4.340 0.001 0.000 0.291 424 R C 0.272 176.578 176.300 0.011 0.000 1.070 424 R CA -0.298 55.820 56.100 0.031 0.000 1.014 424 R CB 0.966 31.282 30.300 0.026 0.000 1.007 424 R HN -0.048 nan 8.270 nan 0.000 0.466 425 D N 1.444 121.858 120.400 0.024 0.000 2.265 425 D HA -0.182 4.459 4.640 0.001 0.000 0.208 425 D C 0.863 177.166 176.300 0.005 0.000 0.977 425 D CA 1.378 55.396 54.000 0.029 0.000 0.871 425 D CB 0.239 41.075 40.800 0.061 0.000 0.925 425 D HN 0.597 nan 8.370 nan 0.000 0.485 426 D N -0.657 119.719 120.400 -0.040 0.000 2.328 426 D HA -0.035 4.605 4.640 0.001 0.000 0.221 426 D C -0.156 175.879 176.300 -0.443 0.000 1.072 426 D CA -0.047 53.788 54.000 -0.275 0.000 0.850 426 D CB -0.037 40.732 40.800 -0.053 0.000 0.922 426 D HN 0.022 nan 8.370 nan 0.000 0.516 427 V N 1.898 121.686 119.914 -0.209 0.000 2.294 427 V HA 0.243 4.364 4.120 0.001 0.000 0.272 427 V C 0.180 176.198 176.094 -0.126 0.000 1.027 427 V CA -0.748 61.466 62.300 -0.142 0.000 0.823 427 V CB 1.066 32.875 31.823 -0.022 0.000 1.030 427 V HN 0.109 nan 8.190 nan 0.000 0.457 428 L N 4.270 125.409 121.223 -0.140 0.000 2.305 428 L HA 0.493 4.834 4.340 0.001 0.000 0.281 428 L C -0.258 176.505 176.870 -0.178 0.000 1.085 428 L CA -0.110 54.639 54.840 -0.151 0.000 0.813 428 L CB 1.014 43.072 42.059 -0.002 0.000 1.157 428 L HN 0.523 nan 8.230 nan 0.000 0.436 429 C N 2.997 122.059 119.300 -0.397 0.000 2.369 429 C HA 0.624 5.084 4.460 0.001 0.000 0.322 429 C C -0.632 174.067 174.990 -0.484 0.000 1.258 429 C CA -0.773 58.084 59.018 -0.268 0.000 1.487 429 C CB 0.445 28.077 27.740 -0.180 0.000 2.165 429 C HN 0.534 nan 8.230 nan 0.000 0.483 430 Y N 1.275 121.599 120.300 0.040 0.000 2.373 430 Y HA 0.592 5.143 4.550 0.001 0.000 0.336 430 Y C 0.371 176.297 175.900 0.042 0.000 0.979 430 Y CA -0.378 57.751 58.100 0.048 0.000 1.080 430 Y CB 1.664 40.166 38.460 0.070 0.000 1.190 430 Y HN 0.576 nan 8.280 nan 0.000 0.446 431 S N 0.923 116.720 115.700 0.161 0.000 2.568 431 S HA 0.579 5.049 4.470 0.001 0.000 0.293 431 S C -0.254 174.407 174.600 0.102 0.000 1.089 431 S CA -0.979 57.281 58.200 0.101 0.000 0.945 431 S CB 1.581 64.816 63.200 0.058 0.000 1.077 431 S HN 0.713 nan 8.310 nan 0.000 0.485 432 T N 0.048 114.647 114.554 0.075 0.000 2.816 432 T HA 0.448 4.799 4.350 0.001 0.000 0.282 432 T C 0.142 174.878 174.700 0.060 0.000 0.993 432 T CA -0.725 61.424 62.100 0.082 0.000 0.994 432 T CB 0.151 69.061 68.868 0.070 0.000 1.025 432 T HN 0.572 nan 8.240 nan 0.000 0.529 433 E N -0.033 120.201 120.200 0.057 0.000 2.428 433 E HA 0.271 4.621 4.350 0.001 0.000 0.257 433 E C -0.164 176.461 176.600 0.042 0.000 1.197 433 E CA -0.663 55.763 56.400 0.043 0.000 0.974 433 E CB 0.392 30.114 29.700 0.038 0.000 0.976 433 E HN 0.417 nan 8.360 nan 0.000 0.463 434 V N 2.591 122.528 119.914 0.037 0.000 2.599 434 V HA -0.072 4.048 4.120 0.001 0.000 0.300 434 V C 0.407 176.527 176.094 0.044 0.000 1.034 434 V CA 0.391 62.716 62.300 0.041 0.000 1.115 434 V CB -0.332 31.509 31.823 0.029 0.000 0.934 434 V HN 0.391 nan 8.190 nan 0.000 0.485 435 L N 4.985 126.242 121.223 0.057 0.000 2.349 435 L HA 0.279 4.619 4.340 0.001 0.000 0.275 435 L C 1.482 178.379 176.870 0.046 0.000 1.115 435 L CA 0.093 54.965 54.840 0.053 0.000 0.820 435 L CB 1.154 43.252 42.059 0.064 0.000 1.135 435 L HN 0.893 nan 8.230 nan 0.000 0.445 436 T N -3.373 111.201 114.554 0.034 0.000 3.014 436 T HA 0.146 4.496 4.350 0.001 0.000 0.250 436 T C 0.395 175.109 174.700 0.023 0.000 1.060 436 T CA -0.129 61.987 62.100 0.027 0.000 1.040 436 T CB 0.258 69.138 68.868 0.020 0.000 0.971 436 T HN 0.419 nan 8.240 nan 0.000 0.497 437 D N 2.535 122.949 120.400 0.024 0.000 2.457 437 D HA 0.470 5.110 4.640 0.001 0.000 0.240 437 D C -2.709 173.602 176.300 0.019 0.000 1.041 437 D CA -1.844 52.166 54.000 0.017 0.000 0.861 437 D CB 2.364 43.172 40.800 0.014 0.000 1.394 437 D HN 0.107 nan 8.370 nan 0.000 0.473 438 P HA 0.125 nan 4.420 nan 0.000 0.271 438 P C -0.644 176.667 177.300 0.018 0.000 1.218 438 P CA -0.334 62.767 63.100 0.001 0.000 0.780 438 P CB 0.904 32.588 31.700 -0.027 0.000 0.901 439 V N 2.901 122.844 119.914 0.048 0.000 2.376 439 V HA 0.232 4.353 4.120 0.001 0.000 0.287 439 V C 0.371 176.521 176.094 0.095 0.000 1.015 439 V CA -0.568 61.765 62.300 0.055 0.000 0.834 439 V CB 1.122 32.956 31.823 0.018 0.000 1.001 439 V HN 0.581 nan 8.190 nan 0.000 0.428 440 E N 4.077 124.292 120.200 0.026 0.000 2.200 440 E HA 0.518 4.869 4.350 0.001 0.000 0.283 440 E C -1.338 175.254 176.600 -0.012 0.000 1.015 440 E CA -0.405 55.992 56.400 -0.005 0.000 0.819 440 E CB 1.659 31.327 29.700 -0.054 0.000 1.081 440 E HN 0.473 nan 8.360 nan 0.000 0.397 441 V N 4.872 124.785 119.914 -0.002 0.000 2.326 441 V HA 0.304 4.425 4.120 0.001 0.000 0.281 441 V C -0.625 175.396 176.094 -0.121 0.000 1.015 441 V CA -0.497 61.780 62.300 -0.039 0.000 0.823 441 V CB 1.574 33.440 31.823 0.072 0.000 1.009 441 V HN 0.728 nan 8.190 nan 0.000 0.436 442 T N 3.679 118.150 114.554 -0.138 0.000 2.985 442 T HA 0.790 5.140 4.350 0.001 0.000 0.315 442 T C 0.184 174.786 174.700 -0.163 0.000 1.001 442 T CA -0.001 62.023 62.100 -0.127 0.000 1.016 442 T CB 1.408 70.233 68.868 -0.072 0.000 0.993 442 T HN 1.175 nan 8.240 nan 0.000 0.454 443 G N 1.979 110.738 108.800 -0.070 0.000 2.352 443 G HA2 0.386 4.346 3.960 0.001 0.000 0.283 443 G HA3 0.386 4.346 3.960 0.001 0.000 0.283 443 G C -0.473 174.507 174.900 0.134 0.000 1.308 443 G CA -0.354 44.604 45.100 -0.236 0.000 0.892 443 G HN 0.816 nan 8.290 nan 0.000 0.504 444 T N -1.681 112.969 114.554 0.160 0.000 2.919 444 T HA 0.579 4.929 4.350 0.001 0.000 0.302 444 T C -0.010 174.798 174.700 0.179 0.000 1.031 444 T CA -0.323 61.924 62.100 0.245 0.000 1.127 444 T CB 1.583 70.589 68.868 0.231 0.000 0.952 444 T HN 1.235 nan 8.240 nan 0.000 0.540 445 V N 2.906 122.902 119.914 0.138 0.000 2.656 445 V HA 0.783 4.903 4.120 0.001 0.000 0.307 445 V C 0.028 176.165 176.094 0.072 0.000 1.051 445 V CA -0.731 61.626 62.300 0.094 0.000 0.893 445 V CB 1.787 33.646 31.823 0.060 0.000 0.999 445 V HN 1.339 nan 8.190 nan 0.000 0.426 446 S N 2.829 118.562 115.700 0.054 0.000 2.607 446 S HA 0.968 5.439 4.470 0.001 0.000 0.273 446 S C -0.770 173.823 174.600 -0.012 0.000 1.148 446 S CA -0.339 57.872 58.200 0.018 0.000 0.833 446 S CB 2.238 65.441 63.200 0.004 0.000 1.130 446 S HN 1.505 nan 8.310 nan 0.000 0.470 447 A N 1.247 124.035 122.820 -0.054 0.000 2.374 447 A HA 0.888 5.209 4.320 0.001 0.000 0.317 447 A C -0.737 176.720 177.584 -0.213 0.000 1.094 447 A CA -0.933 51.029 52.037 -0.124 0.000 0.765 447 A CB 1.249 20.199 19.000 -0.082 0.000 1.268 447 A HN 0.665 nan 8.150 nan 0.000 0.438 448 R N 1.860 122.114 120.500 -0.410 0.000 2.337 448 R HA 0.500 4.840 4.340 0.001 0.000 0.319 448 R C -1.495 174.565 176.300 -0.400 0.000 0.954 448 R CA -0.204 55.627 56.100 -0.448 0.000 0.840 448 R CB 0.908 30.851 30.300 -0.595 0.000 1.164 448 R HN 0.685 nan 8.270 nan 0.000 0.472 449 L N 3.448 124.478 121.223 -0.323 0.000 2.346 449 L HA 0.553 4.893 4.340 0.001 0.000 0.274 449 L C -0.454 176.221 176.870 -0.325 0.000 1.007 449 L CA -0.929 53.775 54.840 -0.228 0.000 0.818 449 L CB 1.368 43.308 42.059 -0.198 0.000 1.284 449 L HN 0.327 nan 8.230 nan 0.000 0.424 450 F N 2.860 122.788 119.950 -0.036 0.000 2.390 450 F HA 0.454 4.981 4.527 0.001 0.000 0.361 450 F C 0.359 176.158 175.800 -0.002 0.000 1.124 450 F CA -0.616 57.385 58.000 0.002 0.000 1.149 450 F CB 1.321 40.370 39.000 0.082 0.000 1.160 450 F HN 0.129 nan 8.300 nan 0.000 0.501 451 V N 0.259 120.204 119.914 0.052 0.000 3.074 451 V HA 0.973 5.093 4.120 0.001 0.000 0.314 451 V C -0.560 175.631 176.094 0.161 0.000 1.117 451 V CA -0.880 61.374 62.300 -0.077 0.000 1.014 451 V CB 1.792 33.117 31.823 -0.831 0.000 1.057 451 V HN 0.687 nan 8.190 nan 0.000 0.438 452 S N 0.844 116.688 115.700 0.241 0.000 2.570 452 S HA 0.844 5.314 4.470 0.001 0.000 0.270 452 S C -0.736 174.046 174.600 0.302 0.000 1.149 452 S CA -0.239 58.143 58.200 0.303 0.000 0.837 452 S CB 1.618 65.004 63.200 0.309 0.000 1.124 452 S HN 1.758 nan 8.310 nan 0.000 0.465 453 S N -0.039 115.814 115.700 0.256 0.000 2.595 453 S HA 0.631 5.101 4.470 0.001 0.000 0.281 453 S C 0.715 175.383 174.600 0.114 0.000 1.117 453 S CA -0.029 58.279 58.200 0.180 0.000 0.873 453 S CB 1.649 64.955 63.200 0.177 0.000 1.108 453 S HN 1.363 nan 8.310 nan 0.000 0.477 454 S N 1.662 117.401 115.700 0.065 0.000 2.562 454 S HA 0.436 4.906 4.470 0.001 0.000 0.221 454 S C 0.649 175.271 174.600 0.035 0.000 0.975 454 S CA 0.154 58.380 58.200 0.043 0.000 0.918 454 S CB -0.192 63.020 63.200 0.019 0.000 0.772 454 S HN 0.940 nan 8.310 nan 0.000 0.531 455 A N 1.254 124.097 122.820 0.039 0.000 2.299 455 A HA 0.705 5.025 4.320 0.001 0.000 0.332 455 A C 0.953 178.555 177.584 0.030 0.000 1.131 455 A CA -0.304 51.746 52.037 0.021 0.000 0.844 455 A CB 1.178 20.182 19.000 0.007 0.000 1.251 455 A HN 0.828 nan 8.150 nan 0.000 0.486 456 V N -2.153 117.768 119.914 0.011 0.000 3.623 456 V HA 0.315 4.435 4.120 0.001 0.000 0.271 456 V C 0.060 176.138 176.094 -0.027 0.000 1.248 456 V CA 1.387 63.688 62.300 0.002 0.000 1.156 456 V CB -1.024 30.798 31.823 -0.003 0.000 0.870 456 V HN 0.803 nan 8.190 nan 0.000 0.453 457 D N -1.775 118.612 120.400 -0.021 0.000 2.663 457 D HA 0.602 5.242 4.640 0.001 0.000 0.233 457 D C -0.815 175.478 176.300 -0.012 0.000 1.240 457 D CA 0.345 54.323 54.000 -0.037 0.000 0.774 457 D CB 2.212 42.979 40.800 -0.056 0.000 1.443 457 D HN 0.189 nan 8.370 nan 0.000 0.441 458 T N 0.710 115.248 114.554 -0.026 0.000 2.677 458 T HA 0.403 4.754 4.350 0.001 0.000 0.305 458 T C -1.954 172.662 174.700 -0.140 0.000 1.569 458 T CA -0.589 61.477 62.100 -0.056 0.000 0.984 458 T CB 0.995 69.795 68.868 -0.113 0.000 1.629 458 T HN 0.281 nan 8.240 nan 0.000 0.494 459 D N 0.317 120.552 120.400 -0.275 0.000 2.272 459 D HA 0.703 5.343 4.640 0.001 0.000 0.247 459 D C -1.075 174.876 176.300 -0.581 0.000 0.990 459 D CA 0.029 53.862 54.000 -0.279 0.000 0.931 459 D CB 1.005 41.678 40.800 -0.211 0.000 1.195 459 D HN 0.312 nan 8.370 nan 0.000 0.477 460 F N 0.057 119.997 119.950 -0.016 0.000 2.547 460 F HA 0.365 4.892 4.527 0.000 0.000 0.316 460 F C 0.441 176.238 175.800 -0.006 0.000 1.121 460 F CA -0.721 57.289 58.000 0.016 0.000 0.911 460 F CB 2.094 41.119 39.000 0.042 0.000 1.179 460 F HN 0.062 nan 8.300 nan 0.000 0.443 461 T N 0.096 114.760 114.554 0.185 0.000 2.912 461 T HA 0.938 5.288 4.350 0.001 0.000 0.288 461 T C -0.826 173.956 174.700 0.136 0.000 1.030 461 T CA -0.912 61.256 62.100 0.115 0.000 1.020 461 T CB 1.987 70.903 68.868 0.081 0.000 1.056 461 T HN 0.867 nan 8.240 nan 0.000 0.480 462 A N 1.907 124.793 122.820 0.110 0.000 2.398 462 A HA 0.784 5.104 4.320 0.001 0.000 0.301 462 A C -0.626 177.022 177.584 0.105 0.000 1.041 462 A CA -0.948 51.152 52.037 0.104 0.000 0.711 462 A CB 1.582 20.625 19.000 0.071 0.000 1.240 462 A HN 0.941 nan 8.150 nan 0.000 0.420 463 K N 1.930 122.399 120.400 0.114 0.000 2.378 463 K HA 0.640 4.960 4.320 0.001 0.000 0.252 463 K C -1.766 174.906 176.600 0.120 0.000 0.931 463 K CA -0.725 55.633 56.287 0.120 0.000 0.794 463 K CB 1.714 34.291 32.500 0.127 0.000 1.181 463 K HN 0.603 nan 8.250 nan 0.000 0.425 464 L N 4.511 125.805 121.223 0.119 0.000 2.289 464 L HA 0.506 4.847 4.340 0.001 0.000 0.285 464 L C -1.455 175.526 176.870 0.185 0.000 1.049 464 L CA -0.303 54.615 54.840 0.131 0.000 0.804 464 L CB 1.643 43.768 42.059 0.110 0.000 1.195 464 L HN 0.388 nan 8.230 nan 0.000 0.428 465 V N 3.877 123.927 119.914 0.226 0.000 2.760 465 V HA 0.383 4.503 4.120 0.001 0.000 0.309 465 V C -1.135 175.198 176.094 0.398 0.000 1.077 465 V CA -0.802 61.656 62.300 0.263 0.000 0.910 465 V CB 1.992 33.946 31.823 0.219 0.000 1.008 465 V HN 0.707 nan 8.190 nan 0.000 0.424 466 D N 3.296 123.938 120.400 0.402 0.000 2.359 466 D HA 0.360 5.000 4.640 0.001 0.000 0.230 466 D C -0.545 176.046 176.300 0.485 0.000 1.118 466 D CA -0.079 54.211 54.000 0.483 0.000 0.844 466 D CB 1.737 42.644 40.800 0.178 0.000 1.059 466 D HN 0.249 nan 8.370 nan 0.000 0.493 467 V N 5.333 125.493 119.914 0.410 0.000 2.408 467 V HA 0.233 4.354 4.120 0.001 0.000 0.267 467 V C 0.455 176.688 176.094 0.231 0.000 1.047 467 V CA -0.600 61.891 62.300 0.318 0.000 0.937 467 V CB -0.015 31.926 31.823 0.197 0.000 0.999 467 V HN 0.350 nan 8.190 nan 0.000 0.472 468 F N 6.678 126.604 119.950 -0.041 0.000 2.380 468 F HA 0.357 4.884 4.527 0.000 0.000 0.325 468 F C -0.880 174.756 175.800 -0.274 0.000 1.136 468 F CA -1.807 56.007 58.000 -0.310 0.000 1.171 468 F CB 0.676 39.595 39.000 -0.135 0.000 1.230 468 F HN 0.353 nan 8.300 nan 0.000 0.554 469 P HA -0.214 nan 4.420 nan 0.000 0.217 469 P C 0.848 178.148 177.300 0.000 0.000 1.151 469 P CA 1.738 64.776 63.100 -0.103 0.000 0.849 469 P CB -0.025 31.613 31.700 -0.104 0.000 0.787 470 D N -2.131 118.300 120.400 0.051 0.000 2.363 470 D HA 0.044 4.684 4.640 0.001 0.000 0.226 470 D C 1.466 177.791 176.300 0.042 0.000 1.020 470 D CA 0.894 54.919 54.000 0.042 0.000 0.892 470 D CB -0.714 40.108 40.800 0.038 0.000 0.900 470 D HN 0.289 nan 8.370 nan 0.000 0.531 471 G N 0.206 109.045 108.800 0.065 0.000 2.259 471 G HA2 -0.287 3.673 3.960 0.001 0.000 0.217 471 G HA3 -0.287 3.673 3.960 0.001 0.000 0.217 471 G C 0.359 175.311 174.900 0.087 0.000 1.001 471 G CA -0.187 44.957 45.100 0.073 0.000 0.627 471 G HN 0.427 nan 8.290 nan 0.000 0.501 472 R N 1.038 121.568 120.500 0.049 0.000 2.523 472 R HA 0.384 4.725 4.340 0.001 0.000 0.281 472 R C 0.508 176.866 176.300 0.097 0.000 0.969 472 R CA 0.864 56.956 56.100 -0.014 0.000 1.093 472 R CB 0.404 30.572 30.300 -0.220 0.000 0.917 472 R HN 0.680 nan 8.270 nan 0.000 0.408 473 A N 5.916 128.784 122.820 0.081 0.000 2.644 473 A HA 0.286 4.606 4.320 0.001 0.000 0.343 473 A C -0.299 177.353 177.584 0.113 0.000 1.324 473 A CA -0.681 51.453 52.037 0.162 0.000 0.846 473 A CB 0.366 19.494 19.000 0.212 0.000 1.128 473 A HN 0.477 nan 8.150 nan 0.000 0.484 474 I N 2.446 123.111 120.570 0.158 0.000 2.352 474 I HA 0.284 4.454 4.170 0.001 0.000 0.290 474 I C 1.056 177.278 176.117 0.176 0.000 1.036 474 I CA -0.100 61.262 61.300 0.104 0.000 1.336 474 I CB 0.683 38.728 38.000 0.075 0.000 1.407 474 I HN 0.644 nan 8.210 nan 0.000 0.497 475 A N 7.410 130.317 122.820 0.146 0.000 2.477 475 A HA 0.423 4.743 4.320 0.001 0.000 0.246 475 A C 0.633 178.409 177.584 0.321 0.000 1.078 475 A CA 0.111 52.269 52.037 0.203 0.000 0.770 475 A CB 0.510 19.612 19.000 0.170 0.000 1.011 475 A HN 0.799 nan 8.150 nan 0.000 0.494 476 L N 1.519 122.895 121.223 0.256 0.000 2.739 476 L HA 0.264 4.605 4.340 0.001 0.000 0.196 476 L C 0.798 177.730 176.870 0.103 0.000 1.405 476 L CA -0.198 54.747 54.840 0.175 0.000 2.722 476 L CB -0.555 41.534 42.059 0.050 0.000 2.563 476 L HN 0.908 nan 8.230 nan 0.000 1.005 477 C N -0.494 118.833 119.300 0.044 0.000 2.349 477 C HA 0.778 5.238 4.460 0.001 0.000 0.361 477 C C -0.623 174.427 174.990 0.100 0.000 1.189 477 C CA -0.702 58.351 59.018 0.058 0.000 2.155 477 C CB 0.719 28.478 27.740 0.033 0.000 2.336 477 C HN 0.737 nan 8.230 nan 0.000 0.540 478 D N -0.940 119.527 120.400 0.112 0.000 2.622 478 D HA 0.724 5.365 4.640 0.001 0.000 0.255 478 D C -0.437 175.947 176.300 0.139 0.000 1.246 478 D CA -0.148 53.928 54.000 0.127 0.000 0.795 478 D CB 1.242 42.132 40.800 0.148 0.000 1.369 478 D HN 1.114 nan 8.370 nan 0.000 0.425 479 G N -0.797 108.081 108.800 0.130 0.000 2.749 479 G HA2 0.651 4.612 3.960 0.001 0.000 0.300 479 G HA3 0.651 4.612 3.960 0.001 0.000 0.300 479 G C -1.757 173.166 174.900 0.039 0.000 1.352 479 G CA -0.915 44.245 45.100 0.100 0.000 0.789 479 G HN 0.820 nan 8.290 nan 0.000 0.509 480 I N -0.707 119.803 120.570 -0.099 0.000 2.775 480 I HA 0.634 4.804 4.170 0.001 0.000 0.295 480 I C -1.560 174.485 176.117 -0.120 0.000 1.287 480 I CA -1.078 60.123 61.300 -0.165 0.000 1.029 480 I CB 2.304 40.008 38.000 -0.493 0.000 1.282 480 I HN 0.493 nan 8.210 nan 0.000 0.426 481 V N 7.444 127.344 119.914 -0.023 0.000 2.409 481 V HA 0.540 4.660 4.120 0.001 0.000 0.291 481 V C -0.388 175.734 176.094 0.048 0.000 1.020 481 V CA -0.522 61.790 62.300 0.021 0.000 0.848 481 V CB 1.691 33.550 31.823 0.060 0.000 0.990 481 V HN 0.792 nan 8.190 nan 0.000 0.430 482 R N 6.309 126.852 120.500 0.073 0.000 2.248 482 R HA 0.284 4.624 4.340 0.001 0.000 0.328 482 R C 1.204 177.559 176.300 0.092 0.000 1.067 482 R CA -0.474 55.694 56.100 0.113 0.000 0.924 482 R CB 0.848 31.299 30.300 0.253 0.000 1.013 482 R HN 0.757 nan 8.270 nan 0.000 0.454 483 M N 4.001 123.616 119.600 0.025 0.000 2.202 483 M HA -0.201 4.279 4.480 0.001 0.000 0.262 483 M C 1.829 178.053 176.300 -0.126 0.000 1.063 483 M CA 1.744 57.028 55.300 -0.027 0.000 1.097 483 M CB -0.744 31.840 32.600 -0.027 0.000 1.382 483 M HN 0.638 nan 8.290 nan 0.000 0.413 484 R N -0.643 119.735 120.500 -0.203 0.000 2.193 484 R HA -0.168 4.173 4.340 0.001 0.000 0.229 484 R C 0.654 176.723 176.300 -0.386 0.000 1.110 484 R CA 1.408 57.298 56.100 -0.349 0.000 0.988 484 R CB -0.617 29.387 30.300 -0.493 0.000 0.871 484 R HN 0.309 nan 8.270 nan 0.000 0.458 485 Y N 1.629 121.909 120.300 -0.033 0.000 2.555 485 Y HA 0.270 4.820 4.550 0.001 0.000 0.259 485 Y C 1.857 177.734 175.900 -0.038 0.000 1.179 485 Y CA -0.824 57.258 58.100 -0.030 0.000 1.230 485 Y CB 0.110 38.565 38.460 -0.010 0.000 1.146 485 Y HN 0.094 nan 8.280 nan 0.000 0.526 486 R N 0.142 120.671 120.500 0.048 0.000 2.117 486 R HA -0.164 4.176 4.340 0.001 0.000 0.243 486 R C 0.748 177.057 176.300 0.014 0.000 1.143 486 R CA 1.895 58.003 56.100 0.013 0.000 0.968 486 R CB -0.119 30.152 30.300 -0.048 0.000 0.863 486 R HN 0.182 nan 8.270 nan 0.000 0.444 487 E N 0.273 120.482 120.200 0.016 0.000 2.447 487 E HA 0.085 4.435 4.350 0.001 0.000 0.204 487 E C 0.017 176.631 176.600 0.023 0.000 0.977 487 E CA 0.545 56.954 56.400 0.014 0.000 0.950 487 E CB 1.194 30.901 29.700 0.011 0.000 0.975 487 E HN 0.335 nan 8.360 nan 0.000 0.496 488 T N -0.954 113.631 114.554 0.051 0.000 2.957 488 T HA 0.322 4.673 4.350 0.001 0.000 0.336 488 T C -0.066 174.706 174.700 0.121 0.000 1.462 488 T CA -0.541 61.587 62.100 0.048 0.000 1.073 488 T CB 0.486 69.371 68.868 0.030 0.000 1.319 488 T HN -0.079 nan 8.240 nan 0.000 0.485 489 L N 3.601 124.830 121.223 0.010 0.000 2.558 489 L HA 0.194 4.535 4.340 0.001 0.000 0.225 489 L C 1.861 178.680 176.870 -0.085 0.000 1.128 489 L CA 0.171 54.945 54.840 -0.110 0.000 0.868 489 L CB 0.003 41.855 42.059 -0.346 0.000 1.006 489 L HN 0.521 nan 8.230 nan 0.000 0.454 490 V N -1.586 118.320 119.914 -0.012 0.000 2.581 490 V HA 0.078 4.198 4.120 0.001 0.000 0.240 490 V C 0.572 176.697 176.094 0.052 0.000 1.054 490 V CA 0.696 62.984 62.300 -0.021 0.000 1.076 490 V CB -0.094 31.705 31.823 -0.041 0.000 0.748 490 V HN 0.420 nan 8.190 nan 0.000 0.474 491 N N 1.468 120.202 118.700 0.058 0.000 2.918 491 N HA 0.303 5.044 4.740 0.001 0.000 0.270 491 N C -2.857 172.664 175.510 0.018 0.000 1.536 491 N CA -0.930 52.142 53.050 0.037 0.000 0.877 491 N CB 0.981 39.478 38.487 0.016 0.000 1.190 491 N HN 0.350 nan 8.380 nan 0.000 0.492 492 P HA 0.033 nan 4.420 nan 0.000 0.267 492 P C 0.071 177.291 177.300 -0.134 0.000 1.200 492 P CA 0.275 63.279 63.100 -0.161 0.000 0.772 492 P CB 0.788 32.222 31.700 -0.443 0.000 0.855 493 T N -0.198 114.270 114.554 -0.143 0.000 2.906 493 T HA 0.602 4.952 4.350 0.001 0.000 0.295 493 T C 0.144 174.765 174.700 -0.131 0.000 1.061 493 T CA -0.964 61.073 62.100 -0.105 0.000 1.000 493 T CB 0.809 69.644 68.868 -0.055 0.000 1.103 493 T HN 0.143 nan 8.240 nan 0.000 0.486 494 L N 1.711 122.876 121.223 -0.097 0.000 2.479 494 L HA 0.624 4.965 4.340 0.001 0.000 0.249 494 L C 0.492 177.309 176.870 -0.088 0.000 1.178 494 L CA -1.226 53.556 54.840 -0.096 0.000 0.811 494 L CB 0.416 42.439 42.059 -0.060 0.000 1.187 494 L HN 0.738 nan 8.230 nan 0.000 0.480 495 I N -2.549 117.967 120.570 -0.091 0.000 2.863 495 I HA 0.438 4.608 4.170 0.001 0.000 0.311 495 I C -0.593 175.582 176.117 0.096 0.000 1.026 495 I CA -0.909 60.352 61.300 -0.064 0.000 1.077 495 I CB 1.646 39.449 38.000 -0.328 0.000 1.262 495 I HN 0.405 nan 8.210 nan 0.000 0.461 496 E N 2.744 123.096 120.200 0.252 0.000 2.229 496 E HA 0.365 4.715 4.350 0.001 0.000 0.283 496 E C -0.234 176.475 176.600 0.181 0.000 1.030 496 E CA -0.573 55.932 56.400 0.175 0.000 0.836 496 E CB 1.637 31.424 29.700 0.145 0.000 1.068 496 E HN 0.775 nan 8.360 nan 0.000 0.401 497 A N 2.164 125.051 122.820 0.111 0.000 2.566 497 A HA 0.325 4.646 4.320 0.001 0.000 0.245 497 A C 1.397 179.037 177.584 0.094 0.000 1.056 497 A CA 0.979 53.075 52.037 0.098 0.000 0.757 497 A CB -0.450 18.586 19.000 0.060 0.000 0.979 497 A HN 0.862 nan 8.150 nan 0.000 0.508 498 G N 1.500 110.365 108.800 0.108 0.000 2.268 498 G HA2 -0.192 3.768 3.960 0.001 0.000 0.240 498 G HA3 -0.192 3.768 3.960 0.001 0.000 0.240 498 G C 0.139 175.064 174.900 0.041 0.000 1.010 498 G CA 0.310 45.456 45.100 0.076 0.000 0.618 498 G HN 0.808 nan 8.290 nan 0.000 0.516 499 E N 0.675 120.896 120.200 0.035 0.000 2.354 499 E HA 0.488 4.838 4.350 0.001 0.000 0.269 499 E C 0.763 177.242 176.600 -0.202 0.000 1.036 499 E CA -0.398 55.925 56.400 -0.129 0.000 0.876 499 E CB 0.980 30.543 29.700 -0.229 0.000 1.009 499 E HN 0.485 nan 8.360 nan 0.000 0.416 500 I N 3.295 123.686 120.570 -0.298 0.000 2.441 500 I HA 0.068 4.238 4.170 0.001 0.000 0.287 500 I C -0.304 175.611 176.117 -0.336 0.000 1.049 500 I CA -0.113 61.028 61.300 -0.264 0.000 1.381 500 I CB 0.231 37.995 38.000 -0.393 0.000 1.409 500 I HN 0.307 nan 8.210 nan 0.000 0.523 501 Y N 4.103 124.401 120.300 -0.003 0.000 2.429 501 Y HA 0.331 4.881 4.550 0.000 0.000 0.342 501 Y C 0.148 175.977 175.900 -0.117 0.000 1.004 501 Y CA -0.824 57.262 58.100 -0.024 0.000 1.075 501 Y CB 1.503 39.945 38.460 -0.030 0.000 1.214 501 Y HN 0.464 nan 8.280 nan 0.000 0.455 502 E N 3.301 123.459 120.200 -0.069 0.000 2.130 502 E HA 0.491 4.841 4.350 0.001 0.000 0.284 502 E C -1.345 175.108 176.600 -0.244 0.000 1.018 502 E CA -0.587 55.538 56.400 -0.458 0.000 0.817 502 E CB 0.775 30.079 29.700 -0.659 0.000 1.078 502 E HN 0.536 nan 8.360 nan 0.000 0.396 503 V N 0.958 120.715 119.914 -0.263 0.000 2.864 503 V HA 0.889 5.009 4.120 0.001 0.000 0.314 503 V C -0.359 175.635 176.094 -0.167 0.000 1.073 503 V CA -0.978 61.231 62.300 -0.151 0.000 0.956 503 V CB 1.547 33.316 31.823 -0.090 0.000 1.023 503 V HN 0.669 nan 8.190 nan 0.000 0.435 504 A N 4.351 127.106 122.820 -0.107 0.000 2.301 504 A HA 0.866 5.187 4.320 0.001 0.000 0.312 504 A C -0.400 177.150 177.584 -0.058 0.000 1.182 504 A CA -0.687 51.293 52.037 -0.095 0.000 0.826 504 A CB 0.435 19.392 19.000 -0.072 0.000 1.134 504 A HN 0.901 nan 8.150 nan 0.000 0.501 505 I N 2.407 122.944 120.570 -0.054 0.000 2.355 505 I HA 0.176 4.347 4.170 0.001 0.000 0.288 505 I C -0.623 175.486 176.117 -0.014 0.000 0.999 505 I CA -0.625 60.661 61.300 -0.022 0.000 1.163 505 I CB 1.681 39.680 38.000 -0.001 0.000 1.316 505 I HN 0.624 nan 8.210 nan 0.000 0.454 506 D N 7.695 128.089 120.400 -0.009 0.000 2.338 506 D HA 0.170 4.811 4.640 0.001 0.000 0.255 506 D C 0.236 176.553 176.300 0.029 0.000 1.237 506 D CA 0.093 54.097 54.000 0.007 0.000 0.883 506 D CB 1.050 41.848 40.800 -0.003 0.000 1.087 506 D HN 0.469 nan 8.370 nan 0.000 0.485 507 M N 4.392 124.020 119.600 0.046 0.000 2.549 507 M HA 0.165 4.645 4.480 0.001 0.000 0.273 507 M C 0.743 177.094 176.300 0.084 0.000 1.213 507 M CA -0.325 55.015 55.300 0.066 0.000 0.976 507 M CB 0.007 32.642 32.600 0.059 0.000 1.457 507 M HN 0.425 nan 8.290 nan 0.000 0.485 508 L N -1.061 120.216 121.223 0.090 0.000 6.783 508 L HA -0.331 4.009 4.340 0.001 0.000 0.053 508 L C 0.091 177.063 176.870 0.169 0.000 2.106 508 L CA 0.993 55.905 54.840 0.119 0.000 1.534 508 L CB -1.520 40.604 42.059 0.109 0.000 2.866 508 L HN 0.403 nan 8.230 nan 0.000 1.099 509 A N -1.292 121.648 122.820 0.200 0.000 2.609 509 A HA 0.839 5.159 4.320 0.001 0.000 0.291 509 A C -0.717 176.949 177.584 0.137 0.000 1.096 509 A CA 0.500 52.703 52.037 0.275 0.000 0.684 509 A CB 2.221 21.545 19.000 0.540 0.000 1.282 509 A HN 0.619 nan 8.150 nan 0.000 0.412 510 T N -0.697 113.798 114.554 -0.099 0.000 2.769 510 T HA 0.657 5.007 4.350 0.001 0.000 0.306 510 T C -1.582 172.475 174.700 -1.072 0.000 1.400 510 T CA 0.245 61.913 62.100 -0.720 0.000 1.007 510 T CB 1.582 70.180 68.868 -0.450 0.000 1.392 510 T HN 1.640 nan 8.240 nan 0.000 0.500 511 S N 2.086 116.852 115.700 -1.556 0.000 2.789 511 S HA 0.668 5.138 4.470 0.001 0.000 0.286 511 S C -1.458 172.746 174.600 -0.661 0.000 1.153 511 S CA -0.620 57.045 58.200 -0.893 0.000 1.084 511 S CB 0.094 62.877 63.200 -0.695 0.000 1.036 511 S HN 0.701 nan 8.310 nan 0.000 0.484 512 N N 2.899 121.331 118.700 -0.446 0.000 2.369 512 N HA 0.439 5.179 4.740 0.001 0.000 0.287 512 N C -1.633 173.660 175.510 -0.362 0.000 1.067 512 N CA -0.439 52.341 53.050 -0.451 0.000 0.888 512 N CB 1.884 40.005 38.487 -0.610 0.000 1.616 512 N HN 0.296 nan 8.380 nan 0.000 0.482 513 V N 3.912 123.622 119.914 -0.340 0.000 2.385 513 V HA 0.394 4.514 4.120 0.001 0.000 0.269 513 V C -0.401 175.477 176.094 -0.360 0.000 1.043 513 V CA -0.360 61.797 62.300 -0.238 0.000 0.906 513 V CB -0.194 31.516 31.823 -0.190 0.000 0.995 513 V HN 0.525 nan 8.190 nan 0.000 0.467 514 F N 5.696 125.502 119.950 -0.239 0.000 2.434 514 F HA 0.390 4.917 4.527 0.000 0.000 0.358 514 F C 0.520 176.133 175.800 -0.311 0.000 1.136 514 F CA -0.088 57.732 58.000 -0.301 0.000 1.157 514 F CB 0.262 39.161 39.000 -0.168 0.000 1.167 514 F HN 0.266 nan 8.300 nan 0.000 0.539 515 L N 5.214 126.171 121.223 -0.442 0.000 2.456 515 L HA 0.371 4.712 4.340 0.001 0.000 0.257 515 L C -2.040 174.830 176.870 0.001 0.000 1.162 515 L CA -2.114 52.576 54.840 -0.249 0.000 0.808 515 L CB 0.539 42.386 42.059 -0.353 0.000 1.136 515 L HN 0.291 nan 8.230 nan 0.000 0.466 516 P HA 0.043 nan 4.420 nan 0.000 0.266 516 P C 0.559 177.937 177.300 0.130 0.000 1.195 516 P CA 0.793 63.936 63.100 0.071 0.000 0.768 516 P CB 0.636 32.359 31.700 0.038 0.000 0.838 517 G N 0.662 109.521 108.800 0.098 0.000 2.213 517 G HA2 -0.191 3.770 3.960 0.001 0.000 0.236 517 G HA3 -0.191 3.770 3.960 0.001 0.000 0.236 517 G C 0.291 175.188 174.900 -0.004 0.000 0.991 517 G CA -0.278 44.849 45.100 0.045 0.000 0.629 517 G HN 0.647 nan 8.290 nan 0.000 0.517 518 H N 0.161 119.212 119.070 -0.032 0.000 2.500 518 H HA 0.680 5.236 4.556 0.001 0.000 0.351 518 H C 0.385 175.741 175.328 0.046 0.000 1.281 518 H CA -0.258 55.783 56.048 -0.013 0.000 1.368 518 H CB 0.925 30.658 29.762 -0.048 0.000 1.616 518 H HN 0.209 nan 8.280 nan 0.000 0.591 519 R N 0.506 121.134 120.500 0.213 0.000 2.750 519 R HA 0.384 4.724 4.340 0.001 0.000 0.281 519 R C -0.662 175.692 176.300 0.090 0.000 0.972 519 R CA -0.815 55.355 56.100 0.118 0.000 0.912 519 R CB 1.946 32.298 30.300 0.087 0.000 1.187 519 R HN 0.400 nan 8.270 nan 0.000 0.464 520 I N 3.192 123.661 120.570 -0.167 0.000 2.352 520 I HA 0.251 4.421 4.170 0.001 0.000 0.290 520 I C 0.238 176.287 176.117 -0.113 0.000 1.036 520 I CA 0.281 61.332 61.300 -0.415 0.000 1.336 520 I CB 0.814 38.315 38.000 -0.831 0.000 1.407 520 I HN 0.376 nan 8.210 nan 0.000 0.497 521 M N 7.166 126.770 119.600 0.007 0.000 2.591 521 M HA 0.631 5.111 4.480 0.001 0.000 0.306 521 M C -1.961 174.398 176.300 0.099 0.000 1.190 521 M CA -0.765 54.583 55.300 0.080 0.000 0.889 521 M CB 2.601 35.276 32.600 0.125 0.000 1.728 521 M HN 0.367 nan 8.290 nan 0.000 0.458 522 V N 4.043 124.043 119.914 0.144 0.000 2.588 522 V HA 0.454 4.574 4.120 0.001 0.000 0.304 522 V C -1.234 174.996 176.094 0.227 0.000 1.042 522 V CA -0.348 62.049 62.300 0.161 0.000 0.877 522 V CB 2.394 34.288 31.823 0.119 0.000 0.996 522 V HN 0.956 nan 8.190 nan 0.000 0.425 523 Q N 4.337 124.245 119.800 0.180 0.000 2.257 523 Q HA 0.662 5.002 4.340 0.001 0.000 0.255 523 Q C -1.169 174.932 176.000 0.169 0.000 0.920 523 Q CA -0.526 55.375 55.803 0.164 0.000 0.927 523 Q CB 2.393 31.208 28.738 0.127 0.000 1.229 523 Q HN 0.605 nan 8.270 nan 0.000 0.433 524 V N 1.661 121.689 119.914 0.191 0.000 2.495 524 V HA 0.648 4.768 4.120 0.001 0.000 0.298 524 V C -0.314 175.825 176.094 0.074 0.000 1.031 524 V CA -0.252 62.164 62.300 0.194 0.000 0.871 524 V CB 1.789 33.799 31.823 0.312 0.000 0.988 524 V HN 0.833 nan 8.190 nan 0.000 0.432 525 S N 2.532 118.280 115.700 0.080 0.000 2.800 525 S HA 0.521 4.991 4.470 0.001 0.000 0.293 525 S C 0.143 174.777 174.600 0.057 0.000 1.209 525 S CA 0.089 58.239 58.200 -0.083 0.000 0.884 525 S CB 2.045 65.162 63.200 -0.137 0.000 1.244 525 S HN 0.569 nan 8.310 nan 0.000 0.540 526 S N 0.687 116.317 115.700 -0.117 0.000 2.819 526 S HA 0.455 4.925 4.470 0.001 0.000 0.249 526 S C -0.737 173.477 174.600 -0.642 0.000 1.030 526 S CA 0.084 58.048 58.200 -0.393 0.000 1.052 526 S CB 0.367 63.291 63.200 -0.461 0.000 1.017 526 S HN 0.903 nan 8.310 nan 0.000 0.576 527 S N 1.344 116.822 115.700 -0.370 0.000 2.565 527 S HA 0.705 5.175 4.470 0.001 0.000 0.269 527 S C -1.444 173.157 174.600 0.002 0.000 1.153 527 S CA -0.801 57.259 58.200 -0.233 0.000 0.835 527 S CB 1.771 64.797 63.200 -0.289 0.000 1.122 527 S HN 0.040 nan 8.310 nan 0.000 0.462 528 N N 0.370 119.149 118.700 0.131 0.000 2.946 528 N HA 0.291 5.032 4.740 0.001 0.000 0.213 528 N C -2.117 173.512 175.510 0.200 0.000 1.440 528 N CA -0.287 52.867 53.050 0.173 0.000 0.745 528 N CB 0.393 39.013 38.487 0.222 0.000 1.471 528 N HN 0.658 nan 8.380 nan 0.000 0.569 529 F N 3.167 123.134 119.950 0.027 0.000 2.469 529 F HA 0.701 5.229 4.527 0.001 0.000 0.332 529 F C -1.742 174.019 175.800 -0.064 0.000 1.103 529 F CA -2.156 55.842 58.000 -0.004 0.000 0.979 529 F CB 2.106 41.117 39.000 0.019 0.000 1.137 529 F HN 0.140 nan 8.300 nan 0.000 0.463 530 P HA 0.059 nan 4.420 nan 0.000 0.258 530 P C 0.598 177.589 177.300 -0.516 0.000 1.416 530 P CA 0.185 62.549 63.100 -1.228 0.000 0.927 530 P CB 0.432 31.300 31.700 -1.385 0.000 1.444 531 K N 0.805 121.005 120.400 -0.333 0.000 2.044 531 K HA -0.147 4.173 4.320 0.001 0.000 0.210 531 K C 0.015 176.281 176.600 -0.557 0.000 1.049 531 K CA 1.575 57.612 56.287 -0.415 0.000 0.927 531 K CB -0.651 31.580 32.500 -0.449 0.000 0.713 531 K HN 0.085 nan 8.250 nan 0.000 0.443 532 Y N 0.897 121.169 120.300 -0.046 0.000 2.524 532 Y HA 0.222 4.772 4.550 0.000 0.000 0.344 532 Y C -0.241 175.710 175.900 0.086 0.000 1.012 532 Y CA -2.073 56.022 58.100 -0.010 0.000 1.068 532 Y CB 1.068 39.536 38.460 0.012 0.000 1.249 532 Y HN 0.158 nan 8.280 nan 0.000 0.468 533 D N 1.378 121.939 120.400 0.267 0.000 2.368 533 D HA 0.086 4.726 4.640 0.001 0.000 0.240 533 D C -0.553 175.936 176.300 0.315 0.000 1.169 533 D CA -0.378 53.817 54.000 0.325 0.000 0.906 533 D CB 0.770 41.693 40.800 0.206 0.000 1.187 533 D HN 0.515 nan 8.370 nan 0.000 0.435 534 R N 1.034 121.701 120.500 0.277 0.000 2.390 534 R HA 0.194 4.534 4.340 0.001 0.000 0.291 534 R C 0.539 176.941 176.300 0.170 0.000 1.070 534 R CA -0.724 55.485 56.100 0.181 0.000 1.014 534 R CB 0.368 30.684 30.300 0.027 0.000 1.007 534 R HN 0.431 nan 8.270 nan 0.000 0.466 535 N N 0.790 119.613 118.700 0.205 0.000 2.497 535 N HA -0.048 4.693 4.740 0.001 0.000 0.271 535 N C 0.593 176.204 175.510 0.169 0.000 1.142 535 N CA 0.105 53.263 53.050 0.180 0.000 0.965 535 N CB 1.195 39.770 38.487 0.146 0.000 1.077 535 N HN 0.648 nan 8.380 nan 0.000 0.462 536 S N 2.310 118.053 115.700 0.071 0.000 2.522 536 S HA -0.022 4.448 4.470 0.001 0.000 0.227 536 S C 0.337 174.919 174.600 -0.029 0.000 0.986 536 S CA 0.009 58.210 58.200 0.000 0.000 0.929 536 S CB -0.134 63.066 63.200 -0.001 0.000 0.769 536 S HN 0.721 nan 8.310 nan 0.000 0.529 537 N N 0.939 119.644 118.700 0.008 0.000 2.776 537 N HA -0.139 4.601 4.740 0.001 0.000 0.250 537 N C 0.676 176.173 175.510 -0.022 0.000 1.112 537 N CA 1.511 54.555 53.050 -0.009 0.000 0.733 537 N CB -2.119 36.334 38.487 -0.056 0.000 1.097 537 N HN 0.865 nan 8.380 nan 0.000 0.558 538 T N -5.701 108.843 114.554 -0.017 0.000 2.964 538 T HA 0.420 4.771 4.350 0.001 0.000 0.249 538 T C 1.387 176.076 174.700 -0.018 0.000 1.000 538 T CA 1.347 63.435 62.100 -0.019 0.000 0.992 538 T CB 0.845 69.702 68.868 -0.018 0.000 1.087 538 T HN 0.776 nan 8.240 nan 0.000 0.489 539 G N 1.001 109.789 108.800 -0.020 0.000 2.157 539 G HA2 -0.022 3.938 3.960 0.001 0.000 0.248 539 G HA3 -0.022 3.938 3.960 0.001 0.000 0.248 539 G C 0.531 175.416 174.900 -0.025 0.000 0.979 539 G CA 0.033 45.113 45.100 -0.032 0.000 0.650 539 G HN 1.013 nan 8.290 nan 0.000 0.529 540 G N -1.026 107.767 108.800 -0.012 0.000 2.535 540 G HA2 0.546 4.506 3.960 0.001 0.000 0.282 540 G HA3 0.546 4.506 3.960 0.001 0.000 0.282 540 G C 0.358 175.262 174.900 0.008 0.000 1.350 540 G CA 0.090 45.188 45.100 -0.004 0.000 1.039 540 G HN 0.907 nan 8.290 nan 0.000 0.509 541 V N 1.531 121.453 119.914 0.014 0.000 2.364 541 V HA 0.028 4.148 4.120 0.001 0.000 0.252 541 V C 1.647 177.766 176.094 0.043 0.000 1.075 541 V CA 0.039 62.359 62.300 0.032 0.000 1.033 541 V CB -0.179 31.657 31.823 0.023 0.000 1.116 541 V HN 0.599 nan 8.190 nan 0.000 0.488 542 I N 3.730 124.338 120.570 0.063 0.000 2.145 542 I HA -0.311 3.860 4.170 0.001 0.000 0.244 542 I C 2.474 178.630 176.117 0.065 0.000 1.075 542 I CA 2.149 63.490 61.300 0.068 0.000 1.332 542 I CB -0.208 37.852 38.000 0.100 0.000 1.033 542 I HN 0.672 nan 8.210 nan 0.000 0.410 543 A N -0.210 122.658 122.820 0.080 0.000 2.172 543 A HA -0.076 4.245 4.320 0.001 0.000 0.216 543 A C 2.069 179.678 177.584 0.042 0.000 1.154 543 A CA 1.023 53.100 52.037 0.068 0.000 0.701 543 A CB -0.275 18.774 19.000 0.081 0.000 0.789 543 A HN 0.257 nan 8.150 nan 0.000 0.465 544 R N 0.271 120.791 120.500 0.033 0.000 2.362 544 R HA 0.178 4.519 4.340 0.001 0.000 0.227 544 R C -0.393 175.915 176.300 0.012 0.000 0.905 544 R CA 0.120 56.231 56.100 0.019 0.000 1.067 544 R CB 0.073 30.381 30.300 0.012 0.000 1.078 544 R HN 0.632 nan 8.270 nan 0.000 0.516 545 E N 1.303 121.511 120.200 0.014 0.000 2.266 545 E HA 0.127 4.477 4.350 0.001 0.000 0.277 545 E C -0.115 176.485 176.600 -0.000 0.000 1.018 545 E CA -0.438 55.965 56.400 0.004 0.000 0.840 545 E CB 1.107 30.808 29.700 0.002 0.000 1.082 545 E HN -0.136 nan 8.360 nan 0.000 0.395 546 Q N 1.914 121.710 119.800 -0.007 0.000 2.373 546 Q HA 0.002 4.343 4.340 0.001 0.000 0.255 546 Q C 0.931 176.918 176.000 -0.023 0.000 0.980 546 Q CA -0.054 55.742 55.803 -0.012 0.000 0.882 546 Q CB 1.189 29.920 28.738 -0.012 0.000 1.249 546 Q HN 0.510 nan 8.270 nan 0.000 0.438 547 L N 3.197 124.402 121.223 -0.030 0.000 2.013 547 L HA -0.287 4.053 4.340 0.001 0.000 0.212 547 L C 2.131 178.971 176.870 -0.049 0.000 1.073 547 L CA 2.468 57.280 54.840 -0.048 0.000 0.753 547 L CB -0.624 41.404 42.059 -0.053 0.000 0.890 547 L HN 0.822 nan 8.230 nan 0.000 0.432 548 E N -0.175 120.003 120.200 -0.038 0.000 2.130 548 E HA -0.283 4.068 4.350 0.001 0.000 0.196 548 E C 1.989 178.568 176.600 -0.035 0.000 0.998 548 E CA 1.977 58.356 56.400 -0.035 0.000 0.806 548 E CB -0.267 29.418 29.700 -0.025 0.000 0.738 548 E HN 0.669 nan 8.360 nan 0.000 0.459 549 E N -0.458 119.723 120.200 -0.031 0.000 2.338 549 E HA -0.071 4.280 4.350 0.001 0.000 0.197 549 E C 0.329 176.906 176.600 -0.037 0.000 1.007 549 E CA 0.250 56.633 56.400 -0.029 0.000 0.849 549 E CB -0.048 29.640 29.700 -0.021 0.000 0.774 549 E HN 0.413 nan 8.360 nan 0.000 0.506 550 M N -0.018 119.552 119.600 -0.050 0.000 2.227 550 M HA 0.183 4.663 4.480 0.001 0.000 0.316 550 M C -0.103 176.147 176.300 -0.083 0.000 1.144 550 M CA -0.329 54.931 55.300 -0.067 0.000 1.121 550 M CB 1.019 33.569 32.600 -0.084 0.000 1.440 550 M HN -0.057 nan 8.290 nan 0.000 0.473 551 C N 0.187 119.428 119.300 -0.099 0.000 2.562 551 C HA 0.665 5.126 4.460 0.001 0.000 0.332 551 C C 0.694 175.582 174.990 -0.169 0.000 1.201 551 C CA -0.814 58.141 59.018 -0.105 0.000 1.803 551 C CB 1.665 29.362 27.740 -0.072 0.000 2.328 551 C HN 0.911 nan 8.230 nan 0.000 0.500 552 T N 0.020 114.480 114.554 -0.156 0.000 2.849 552 T HA 0.678 5.028 4.350 0.001 0.000 0.284 552 T C -0.337 174.279 174.700 -0.140 0.000 1.004 552 T CA -0.339 61.641 62.100 -0.199 0.000 1.021 552 T CB 1.086 69.874 68.868 -0.133 0.000 1.013 552 T HN 1.192 nan 8.240 nan 0.000 0.527 553 A N 1.102 123.848 122.820 -0.125 0.000 2.422 553 A HA 0.635 4.955 4.320 0.001 0.000 0.302 553 A C -0.586 176.980 177.584 -0.031 0.000 1.041 553 A CA -0.901 51.108 52.037 -0.046 0.000 0.708 553 A CB 1.704 20.704 19.000 -0.001 0.000 1.257 553 A HN 0.831 nan 8.150 nan 0.000 0.414 554 V N 3.553 123.447 119.914 -0.034 0.000 2.353 554 V HA 0.188 4.308 4.120 0.001 0.000 0.264 554 V C 0.211 176.251 176.094 -0.090 0.000 1.049 554 V CA -0.161 62.104 62.300 -0.059 0.000 0.896 554 V CB -0.081 31.726 31.823 -0.027 0.000 1.025 554 V HN 0.899 nan 8.190 nan 0.000 0.475 555 N N 4.138 122.685 118.700 -0.254 0.000 2.466 555 N HA 0.747 5.487 4.740 0.001 0.000 0.294 555 N C -0.440 174.888 175.510 -0.303 0.000 1.129 555 N CA -0.938 51.972 53.050 -0.233 0.000 0.931 555 N CB 1.849 40.129 38.487 -0.345 0.000 1.193 555 N HN 0.558 nan 8.380 nan 0.000 0.500 556 R N 1.986 122.473 120.500 -0.023 0.000 2.564 556 R HA 0.379 4.720 4.340 0.001 0.000 0.284 556 R C -1.758 174.485 176.300 -0.096 0.000 1.031 556 R CA -0.589 55.451 56.100 -0.101 0.000 0.904 556 R CB 0.878 31.077 30.300 -0.168 0.000 1.199 556 R HN 0.448 nan 8.270 nan 0.000 0.443 557 I N 5.022 125.552 120.570 -0.066 0.000 2.312 557 I HA 0.307 4.478 4.170 0.001 0.000 0.290 557 I C 0.122 176.155 176.117 -0.139 0.000 1.008 557 I CA -0.513 60.769 61.300 -0.031 0.000 1.226 557 I CB 1.052 39.142 38.000 0.149 0.000 1.371 557 I HN 0.585 nan 8.210 nan 0.000 0.468 558 H N 7.164 126.251 119.070 0.028 0.000 2.467 558 H HA 0.630 5.187 4.556 0.001 0.000 0.331 558 H C -0.037 175.335 175.328 0.073 0.000 1.120 558 H CA -0.580 55.462 56.048 -0.010 0.000 1.270 558 H CB 1.783 31.415 29.762 -0.216 0.000 1.466 558 H HN 0.526 nan 8.280 nan 0.000 0.504 559 R N 0.871 121.473 120.500 0.169 0.000 2.566 559 R HA 0.637 4.978 4.340 0.001 0.000 0.271 559 R C -0.805 175.559 176.300 0.107 0.000 1.071 559 R CA -0.944 55.243 56.100 0.145 0.000 0.915 559 R CB 1.930 32.301 30.300 0.119 0.000 1.228 559 R HN 0.856 nan 8.270 nan 0.000 0.449 560 G N 1.677 110.512 108.800 0.059 0.000 2.352 560 G HA2 0.126 4.086 3.960 0.001 0.000 0.283 560 G HA3 0.126 4.086 3.960 0.001 0.000 0.283 560 G C -2.698 172.148 174.900 -0.090 0.000 1.308 560 G CA -0.753 44.346 45.100 -0.002 0.000 0.892 560 G HN 0.315 nan 8.290 nan 0.000 0.504 561 P HA 0.018 nan 4.420 nan 0.000 0.215 561 P C 1.378 178.536 177.300 -0.238 0.000 1.153 561 P CA 1.529 64.527 63.100 -0.170 0.000 0.853 561 P CB 0.231 31.849 31.700 -0.136 0.000 0.788 562 E N -1.682 118.328 120.200 -0.316 0.000 2.318 562 E HA -0.038 4.313 4.350 0.001 0.000 0.193 562 E C 0.169 176.192 176.600 -0.963 0.000 0.998 562 E CA 0.773 56.841 56.400 -0.553 0.000 0.859 562 E CB -0.428 28.915 29.700 -0.595 0.000 0.812 562 E HN 0.532 nan 8.360 nan 0.000 0.492 563 H N 0.570 119.329 119.070 -0.519 0.000 2.340 563 H HA 0.190 4.746 4.556 0.001 0.000 0.233 563 H C -2.210 172.802 175.328 -0.526 0.000 1.435 563 H CA -1.822 53.597 56.048 -1.048 0.000 1.389 563 H CB 0.669 30.033 29.762 -0.663 0.000 1.491 563 H HN -0.071 nan 8.280 nan 0.000 0.518 564 P HA 0.035 nan 4.420 nan 0.000 0.230 564 P C -0.231 177.483 177.300 0.691 0.000 1.791 564 P CA -0.168 63.088 63.100 0.260 0.000 1.020 564 P CB 0.036 31.853 31.700 0.195 0.000 1.977 565 S N 3.140 119.183 115.700 0.570 0.000 2.552 565 S HA 0.124 4.594 4.470 0.001 0.000 0.289 565 S C 0.528 175.320 174.600 0.320 0.000 1.304 565 S CA 0.250 58.691 58.200 0.402 0.000 1.063 565 S CB -0.277 63.056 63.200 0.222 0.000 0.848 565 S HN 0.575 nan 8.310 nan 0.000 0.499 566 H N 0.268 119.375 119.070 0.063 0.000 3.014 566 H HA 0.509 5.065 4.556 0.000 0.000 0.337 566 H C -1.239 174.046 175.328 -0.072 0.000 1.320 566 H CA -1.014 54.984 56.048 -0.082 0.000 1.128 566 H CB 0.781 30.329 29.762 -0.355 0.000 1.862 566 H HN 0.546 nan 8.280 nan 0.000 0.536 567 I N 1.955 122.545 120.570 0.033 0.000 2.392 567 I HA 0.301 4.471 4.170 0.001 0.000 0.295 567 I C -0.714 175.484 176.117 0.135 0.000 0.985 567 I CA -0.963 60.350 61.300 0.021 0.000 1.221 567 I CB 1.034 39.029 38.000 -0.008 0.000 1.366 567 I HN 0.376 nan 8.210 nan 0.000 0.467 568 V N 8.406 128.398 119.914 0.130 0.000 2.348 568 V HA 0.288 4.409 4.120 0.001 0.000 0.270 568 V C 0.119 176.286 176.094 0.123 0.000 1.037 568 V CA -0.428 61.978 62.300 0.178 0.000 0.872 568 V CB 0.777 32.712 31.823 0.187 0.000 1.002 568 V HN 0.511 nan 8.190 nan 0.000 0.464 569 L N 7.919 129.205 121.223 0.105 0.000 2.295 569 L HA 0.456 4.796 4.340 0.001 0.000 0.285 569 L C -2.049 174.815 176.870 -0.010 0.000 1.035 569 L CA -1.806 53.030 54.840 -0.006 0.000 0.806 569 L CB 2.306 44.240 42.059 -0.208 0.000 1.214 569 L HN 0.409 nan 8.230 nan 0.000 0.426 570 P HA 0.074 nan 4.420 nan 0.000 0.249 570 P C -0.361 176.802 177.300 -0.227 0.000 1.737 570 P CA -0.292 62.636 63.100 -0.286 0.000 1.128 570 P CB -0.186 31.346 31.700 -0.280 0.000 1.942 571 I N 4.437 124.908 120.570 -0.165 0.000 2.618 571 I HA 0.115 4.285 4.170 0.001 0.000 0.284 571 I C 1.016 177.058 176.117 -0.124 0.000 1.146 571 I CA -0.214 61.030 61.300 -0.092 0.000 1.425 571 I CB -0.033 37.966 38.000 -0.002 0.000 1.383 571 I HN 0.203 nan 8.210 nan 0.000 0.562 572 I N 6.151 126.666 120.570 -0.093 0.000 2.433 572 I HA 0.340 4.511 4.170 0.001 0.000 0.292 572 I C 0.017 176.103 176.117 -0.051 0.000 1.001 572 I CA -0.981 60.267 61.300 -0.085 0.000 1.119 572 I CB 1.621 39.568 38.000 -0.087 0.000 1.289 572 I HN 0.471 nan 8.210 nan 0.000 0.438 573 K N 6.521 126.895 120.400 -0.044 0.000 2.502 573 K HA 0.541 4.861 4.320 0.001 0.000 0.254 573 K C -1.080 175.505 176.600 -0.025 0.000 0.947 573 K CA -0.506 55.764 56.287 -0.028 0.000 0.834 573 K CB 1.268 33.755 32.500 -0.021 0.000 1.112 573 K HN 0.450 nan 8.250 nan 0.000 0.427 574 R N 4.199 124.685 120.500 -0.023 0.000 2.502 574 R HA 0.348 4.689 4.340 0.001 0.000 0.298 574 R C -0.736 175.555 176.300 -0.015 0.000 1.018 574 R CA -0.828 55.261 56.100 -0.019 0.000 0.899 574 R CB 1.738 32.025 30.300 -0.021 0.000 1.181 574 R HN 0.585 nan 8.270 nan 0.000 0.444 575 K N 0.000 120.393 120.400 -0.011 0.000 2.780 575 K HA 0.000 4.320 4.320 0.001 0.000 0.191 575 K CA 0.000 56.282 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