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 1uko_1_A DATA FIRST_RESID 6 DATA SEQUENCE NMLLNYVPVY VMLPLGVVNV DNVFEDPDGL KEQLLQLRAA GVDGVMVDVW DATA SEQUENCE WGIIELKGPK QYDWRAYRSL LQLVQECGLT LQAIMSFHQC GGNVGDIVNI DATA SEQUENCE PIPQWVLDIG ESNHDIFYTN RSGTRNKEYL TVGVDNEPIF HGRTAIEIYS DATA SEQUENCE DYMKSFRENM SDFLESGLII DIEVGLGPAG ELRYPSYPQS QGWEFPGIGE DATA SEQUENCE FQCYDKYLKA DFKAAVARAG HPEWELPDDA GKYNDVPEST GFFKSNGTYV DATA SEQUENCE TEKGKFFLTW YSNKLLNHGD QILDEANKAF LGCKVKLAIK VSGIHWWYKV DATA SEQUENCE ENHAAELTAG YYNLNDRDGY RPIARMLSRH HAILNFTCLE MRDSEQPSDA DATA SEQUENCE KSGPQELVQQ VLSGGWREYI RVAGENALPR YDATAYNQII LNARPQGVNN DATA SEQUENCE NGPPKLSMFG VTYLRLSDDL LQKSNFNIFK KFVLKMHADQ DYCANPQKYN DATA SEQUENCE HAITPLKPSA PKIPIEVLLE ATKPTRPFPW LDETDMKVDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.499 175.510 -0.018 0.000 1.280 6 N CA 0.000 53.035 53.050 -0.024 0.000 0.885 6 N CB 0.000 38.469 38.487 -0.031 0.000 1.341 7 M N 1.324 120.916 119.600 -0.015 0.000 2.460 7 M HA -0.011 4.470 4.480 0.002 0.000 0.263 7 M C 1.630 177.943 176.300 0.021 0.000 1.071 7 M CA 0.753 56.050 55.300 -0.005 0.000 1.096 7 M CB -0.522 32.073 32.600 -0.008 0.000 1.408 7 M HN 0.474 nan 8.290 nan 0.000 0.463 8 L N 0.272 121.499 121.223 0.007 0.000 2.093 8 L HA -0.087 4.254 4.340 0.002 0.000 0.208 8 L C 2.149 179.041 176.870 0.037 0.000 1.085 8 L CA 1.463 56.304 54.840 0.003 0.000 0.755 8 L CB -0.860 41.156 42.059 -0.072 0.000 0.904 8 L HN 0.249 nan 8.230 nan 0.000 0.435 9 L N -0.836 120.398 121.223 0.018 0.000 2.353 9 L HA -0.176 4.165 4.340 0.002 0.000 0.220 9 L C 1.557 178.460 176.870 0.055 0.000 1.133 9 L CA 0.838 55.698 54.840 0.032 0.000 0.798 9 L CB -0.507 41.553 42.059 0.003 0.000 0.922 9 L HN 0.393 nan 8.230 nan 0.000 0.445 10 N N -1.166 117.561 118.700 0.044 0.000 2.280 10 N HA -0.035 4.706 4.740 0.002 0.000 0.192 10 N C 0.017 175.554 175.510 0.045 0.000 1.109 10 N CA -0.095 52.969 53.050 0.023 0.000 0.855 10 N CB 0.495 38.973 38.487 -0.015 0.000 0.974 10 N HN 0.168 nan 8.380 nan 0.000 0.482 11 Y N 2.160 122.403 120.300 -0.096 0.000 2.496 11 Y HA 0.119 4.670 4.550 0.002 0.000 0.334 11 Y C -0.336 175.409 175.900 -0.259 0.000 1.080 11 Y CA -0.172 57.810 58.100 -0.198 0.000 1.355 11 Y CB 0.481 38.769 38.460 -0.286 0.000 1.193 11 Y HN -0.294 nan 8.280 nan 0.000 0.523 12 V N 9.994 129.772 119.914 -0.226 0.000 2.334 12 V HA 0.310 4.431 4.120 0.002 0.000 0.281 12 V C -2.080 173.806 176.094 -0.346 0.000 1.016 12 V CA -2.102 60.089 62.300 -0.183 0.000 0.832 12 V CB 1.224 32.997 31.823 -0.084 0.000 0.999 12 V HN 0.736 nan 8.190 nan 0.000 0.439 13 P HA 0.085 nan 4.420 nan 0.000 0.266 13 P C -0.690 176.438 177.300 -0.287 0.000 1.195 13 P CA 0.253 63.140 63.100 -0.354 0.000 0.768 13 P CB 1.289 32.796 31.700 -0.321 0.000 0.838 14 V N 4.566 124.230 119.914 -0.417 0.000 2.495 14 V HA 0.365 4.486 4.120 0.002 0.000 0.298 14 V C -0.379 175.439 176.094 -0.461 0.000 1.031 14 V CA -0.391 61.722 62.300 -0.313 0.000 0.871 14 V CB 1.037 32.639 31.823 -0.369 0.000 0.988 14 V HN 0.430 nan 8.190 nan 0.000 0.432 15 Y N 2.476 122.896 120.300 0.202 0.000 2.562 15 Y HA 0.753 5.304 4.550 0.002 0.000 0.343 15 Y C -0.104 175.975 175.900 0.299 0.000 1.025 15 Y CA -1.094 57.138 58.100 0.220 0.000 1.082 15 Y CB 2.196 40.764 38.460 0.180 0.000 1.264 15 Y HN 0.314 nan 8.280 nan 0.000 0.478 16 V N 3.302 123.457 119.914 0.401 0.000 2.487 16 V HA 0.276 4.397 4.120 0.002 0.000 0.298 16 V C -0.283 175.968 176.094 0.263 0.000 1.028 16 V CA -0.902 61.620 62.300 0.369 0.000 0.860 16 V CB 1.548 33.552 31.823 0.302 0.000 0.991 16 V HN 0.772 nan 8.190 nan 0.000 0.427 17 M N 5.657 125.388 119.600 0.218 0.000 2.239 17 M HA 0.331 4.812 4.480 0.002 0.000 0.348 17 M C -0.508 175.868 176.300 0.126 0.000 1.239 17 M CA 0.665 56.049 55.300 0.141 0.000 1.114 17 M CB 0.172 32.826 32.600 0.090 0.000 1.641 17 M HN 0.509 nan 8.290 nan 0.000 0.453 18 L N 6.359 127.649 121.223 0.111 0.000 2.466 18 L HA 0.405 4.746 4.340 0.002 0.000 0.257 18 L C -1.990 174.943 176.870 0.104 0.000 1.189 18 L CA -2.057 52.844 54.840 0.101 0.000 0.813 18 L CB 0.081 42.193 42.059 0.088 0.000 1.118 18 L HN 0.559 nan 8.230 nan 0.000 0.471 19 P HA 0.058 nan 4.420 nan 0.000 0.268 19 P C -0.601 176.775 177.300 0.126 0.000 1.205 19 P CA -0.121 63.036 63.100 0.095 0.000 0.771 19 P CB 0.397 32.143 31.700 0.077 0.000 0.858 20 L N 2.255 123.556 121.223 0.131 0.000 2.485 20 L HA 0.205 4.547 4.340 0.002 0.000 0.275 20 L C 1.632 178.588 176.870 0.143 0.000 1.207 20 L CA 0.733 55.681 54.840 0.180 0.000 0.855 20 L CB -0.609 41.535 42.059 0.142 0.000 1.114 20 L HN 0.786 nan 8.230 nan 0.000 0.485 21 G N 2.093 111.009 108.800 0.194 0.000 2.147 21 G HA2 -0.274 3.687 3.960 0.002 0.000 0.244 21 G HA3 -0.274 3.687 3.960 0.002 0.000 0.244 21 G C 0.746 175.720 174.900 0.124 0.000 1.005 21 G CA 0.380 45.556 45.100 0.126 0.000 0.713 21 G HN 0.608 nan 8.290 nan 0.000 0.515 22 V N -0.942 119.053 119.914 0.136 0.000 2.453 22 V HA 0.001 4.122 4.120 0.002 0.000 0.252 22 V C 1.401 177.570 176.094 0.125 0.000 1.068 22 V CA 2.379 64.756 62.300 0.127 0.000 1.070 22 V CB 0.023 31.893 31.823 0.079 0.000 0.664 22 V HN 0.574 nan 8.190 nan 0.000 0.461 23 V N 2.881 122.806 119.914 0.019 0.000 2.357 23 V HA 0.371 4.492 4.120 0.002 0.000 0.284 23 V C -0.031 176.115 176.094 0.087 0.000 1.018 23 V CA -0.565 61.715 62.300 -0.032 0.000 0.841 23 V CB 1.401 32.972 31.823 -0.420 0.000 0.991 23 V HN 0.819 nan 8.190 nan 0.000 0.437 24 N N 4.301 123.054 118.700 0.088 0.000 2.317 24 N HA 0.078 4.819 4.740 0.002 0.000 0.245 24 N C 1.057 176.604 175.510 0.061 0.000 1.294 24 N CA -0.150 52.939 53.050 0.064 0.000 0.924 24 N CB 0.849 39.363 38.487 0.045 0.000 1.186 24 N HN 0.215 nan 8.380 nan 0.000 0.495 25 V N -0.454 119.467 119.914 0.011 0.000 2.660 25 V HA -0.206 3.915 4.120 0.002 0.000 0.257 25 V C 0.357 176.467 176.094 0.028 0.000 1.088 25 V CA 2.037 64.334 62.300 -0.006 0.000 1.106 25 V CB -0.767 31.027 31.823 -0.049 0.000 0.686 25 V HN 0.624 nan 8.190 nan 0.000 0.481 26 D N 0.443 120.866 120.400 0.038 0.000 2.336 26 D HA 0.086 4.727 4.640 0.002 0.000 0.228 26 D C 0.815 177.159 176.300 0.073 0.000 1.120 26 D CA 0.183 54.211 54.000 0.046 0.000 0.839 26 D CB -0.447 40.374 40.800 0.035 0.000 0.932 26 D HN 0.556 nan 8.370 nan 0.000 0.509 27 N N 0.526 119.287 118.700 0.102 0.000 2.727 27 N HA -0.186 4.555 4.740 0.002 0.000 0.251 27 N C -1.460 174.123 175.510 0.122 0.000 1.040 27 N CA 0.248 53.381 53.050 0.139 0.000 0.712 27 N CB -1.210 37.363 38.487 0.143 0.000 0.912 27 N HN -0.039 nan 8.380 nan 0.000 0.545 28 V N 2.120 122.099 119.914 0.109 0.000 2.656 28 V HA 0.428 4.549 4.120 0.002 0.000 0.307 28 V C -0.073 176.121 176.094 0.167 0.000 1.051 28 V CA -0.964 61.407 62.300 0.118 0.000 0.893 28 V CB 1.573 33.444 31.823 0.081 0.000 0.999 28 V HN 0.214 nan 8.190 nan 0.000 0.426 29 F N 4.307 124.249 119.950 -0.015 0.000 2.515 29 F HA 0.388 4.917 4.527 0.002 0.000 0.353 29 F C 1.291 177.081 175.800 -0.016 0.000 1.213 29 F CA -0.627 57.350 58.000 -0.039 0.000 1.194 29 F CB -0.156 38.821 39.000 -0.038 0.000 1.488 29 F HN 0.732 nan 8.300 nan 0.000 0.619 30 E N 1.902 122.158 120.200 0.092 0.000 2.005 30 E HA -0.236 4.115 4.350 0.002 0.000 0.198 30 E C 0.067 176.547 176.600 -0.200 0.000 1.010 30 E CA 1.581 57.950 56.400 -0.051 0.000 0.825 30 E CB 0.013 29.719 29.700 0.011 0.000 0.769 30 E HN 0.446 nan 8.360 nan 0.000 0.456 31 D N -0.353 119.923 120.400 -0.208 0.000 2.590 31 D HA 0.127 4.769 4.640 0.002 0.000 0.280 31 D C -2.061 174.018 176.300 -0.369 0.000 1.197 31 D CA -2.194 51.669 54.000 -0.228 0.000 0.967 31 D CB 0.913 41.662 40.800 -0.086 0.000 0.987 31 D HN -0.153 nan 8.370 nan 0.000 0.508 32 P HA -0.080 nan 4.420 nan 0.000 0.215 32 P C 0.968 178.140 177.300 -0.214 0.000 1.157 32 P CA 0.787 63.463 63.100 -0.707 0.000 0.863 32 P CB 0.436 31.693 31.700 -0.737 0.000 0.787 33 D N -0.649 119.645 120.400 -0.176 0.000 2.104 33 D HA -0.110 4.531 4.640 0.002 0.000 0.194 33 D C 2.240 178.507 176.300 -0.055 0.000 0.994 33 D CA 1.785 55.733 54.000 -0.086 0.000 0.830 33 D CB -0.962 39.791 40.800 -0.078 0.000 0.959 33 D HN 0.190 nan 8.370 nan 0.000 0.452 34 G N 0.998 109.760 108.800 -0.063 0.000 2.402 34 G HA2 -0.196 3.765 3.960 0.002 0.000 0.216 34 G HA3 -0.196 3.765 3.960 0.002 0.000 0.216 34 G C 1.657 176.551 174.900 -0.010 0.000 1.162 34 G CA 0.334 45.412 45.100 -0.037 0.000 0.777 34 G HN 0.193 nan 8.290 nan 0.000 0.539 35 L N 0.869 122.103 121.223 0.020 0.000 2.027 35 L HA 0.095 4.436 4.340 0.002 0.000 0.206 35 L C 2.665 179.573 176.870 0.063 0.000 1.074 35 L CA 2.320 57.204 54.840 0.075 0.000 0.745 35 L CB -0.495 41.681 42.059 0.194 0.000 0.898 35 L HN 0.224 nan 8.230 nan 0.000 0.433 36 K N -0.773 119.664 120.400 0.062 0.000 2.074 36 K HA -0.254 4.068 4.320 0.002 0.000 0.209 36 K C 2.067 178.680 176.600 0.022 0.000 1.048 36 K CA 1.611 57.929 56.287 0.052 0.000 0.926 36 K CB -0.161 32.364 32.500 0.041 0.000 0.713 36 K HN 0.331 nan 8.250 nan 0.000 0.444 37 E N 1.174 121.375 120.200 0.001 0.000 2.031 37 E HA -0.206 4.145 4.350 0.002 0.000 0.193 37 E C 2.068 178.649 176.600 -0.031 0.000 0.994 37 E CA 1.555 57.945 56.400 -0.017 0.000 0.800 37 E CB -0.124 29.558 29.700 -0.030 0.000 0.752 37 E HN 0.458 nan 8.360 nan 0.000 0.447 38 Q N 0.016 119.793 119.800 -0.038 0.000 2.084 38 Q HA -0.107 4.234 4.340 0.002 0.000 0.202 38 Q C 2.535 178.513 176.000 -0.036 0.000 0.978 38 Q CA 1.182 56.943 55.803 -0.070 0.000 0.844 38 Q CB -0.161 28.544 28.738 -0.056 0.000 0.898 38 Q HN 0.284 nan 8.270 nan 0.000 0.426 39 L N 0.299 121.527 121.223 0.008 0.000 2.083 39 L HA -0.195 4.146 4.340 0.002 0.000 0.209 39 L C 2.275 179.165 176.870 0.032 0.000 1.083 39 L CA 0.852 55.712 54.840 0.033 0.000 0.752 39 L CB -0.421 41.668 42.059 0.051 0.000 0.899 39 L HN 0.267 nan 8.230 nan 0.000 0.433 40 L N -0.741 120.494 121.223 0.021 0.000 2.131 40 L HA -0.217 4.124 4.340 0.002 0.000 0.210 40 L C 2.705 179.600 176.870 0.043 0.000 1.092 40 L CA 1.199 56.053 54.840 0.024 0.000 0.759 40 L CB -0.405 41.664 42.059 0.016 0.000 0.903 40 L HN 0.347 nan 8.230 nan 0.000 0.435 41 Q N -0.294 119.529 119.800 0.038 0.000 2.083 41 Q HA -0.141 4.200 4.340 0.002 0.000 0.198 41 Q C 2.376 178.538 176.000 0.271 0.000 0.969 41 Q CA 1.117 56.985 55.803 0.107 0.000 0.838 41 Q CB -0.091 28.595 28.738 -0.087 0.000 0.900 41 Q HN 0.515 nan 8.270 nan 0.000 0.436 42 L N 0.413 121.753 121.223 0.195 0.000 2.017 42 L HA -0.203 4.138 4.340 0.002 0.000 0.208 42 L C 2.647 179.607 176.870 0.151 0.000 1.073 42 L CA 1.324 56.321 54.840 0.260 0.000 0.745 42 L CB -0.474 41.682 42.059 0.162 0.000 0.894 42 L HN 0.182 nan 8.230 nan 0.000 0.432 43 R N 1.073 121.609 120.500 0.061 0.000 2.080 43 R HA -0.172 4.169 4.340 0.002 0.000 0.236 43 R C 2.228 178.502 176.300 -0.044 0.000 1.137 43 R CA 1.919 57.992 56.100 -0.043 0.000 0.943 43 R CB -0.724 29.548 30.300 -0.047 0.000 0.846 43 R HN 0.281 nan 8.270 nan 0.000 0.431 44 A N 0.302 123.139 122.820 0.029 0.000 1.972 44 A HA -0.014 4.307 4.320 0.002 0.000 0.219 44 A C 2.325 179.929 177.584 0.033 0.000 1.169 44 A CA 1.682 53.741 52.037 0.037 0.000 0.635 44 A CB -0.971 18.075 19.000 0.077 0.000 0.810 44 A HN 0.560 nan 8.150 nan 0.000 0.446 45 A N -1.923 120.940 122.820 0.072 0.000 2.209 45 A HA 0.375 4.697 4.320 0.002 0.000 0.212 45 A C 1.848 179.398 177.584 -0.057 0.000 1.158 45 A CA 1.337 53.361 52.037 -0.023 0.000 0.742 45 A CB -0.904 18.095 19.000 -0.002 0.000 0.790 45 A HN 1.921 nan 8.150 nan 0.000 0.472 46 G N -1.734 107.055 108.800 -0.019 0.000 2.141 46 G HA2 -0.186 3.775 3.960 0.002 0.000 0.231 46 G HA3 -0.186 3.775 3.960 0.002 0.000 0.231 46 G C 0.193 175.140 174.900 0.079 0.000 0.984 46 G CA 0.028 45.148 45.100 0.035 0.000 0.660 46 G HN 0.739 nan 8.290 nan 0.000 0.525 47 V N 0.716 120.639 119.914 0.014 0.000 2.673 47 V HA 0.165 4.286 4.120 0.002 0.000 0.303 47 V C 1.627 177.731 176.094 0.018 0.000 1.046 47 V CA 1.315 63.634 62.300 0.030 0.000 1.126 47 V CB 1.019 32.922 31.823 0.134 0.000 0.934 47 V HN 0.427 nan 8.190 nan 0.000 0.487 48 D N 2.205 122.599 120.400 -0.011 0.000 2.103 48 D HA 0.235 4.877 4.640 0.002 0.000 0.199 48 D C 0.868 177.194 176.300 0.042 0.000 0.978 48 D CA 1.527 55.553 54.000 0.042 0.000 0.829 48 D CB 0.066 40.734 40.800 -0.220 0.000 0.981 48 D HN 0.770 nan 8.370 nan 0.000 0.464 49 G N -1.202 107.583 108.800 -0.025 0.000 2.706 49 G HA2 0.539 4.500 3.960 0.002 0.000 0.307 49 G HA3 0.539 4.500 3.960 0.002 0.000 0.307 49 G C -1.479 173.647 174.900 0.377 0.000 1.307 49 G CA -0.277 45.008 45.100 0.309 0.000 0.790 49 G HN 0.210 nan 8.290 nan 0.000 0.503 50 V N -2.793 117.334 119.914 0.356 0.000 3.141 50 V HA 0.909 5.031 4.120 0.002 0.000 0.312 50 V C -0.388 175.829 176.094 0.205 0.000 1.157 50 V CA -1.084 61.375 62.300 0.266 0.000 1.041 50 V CB 2.004 33.924 31.823 0.163 0.000 1.071 50 V HN 1.046 nan 8.190 nan 0.000 0.441 51 M N 2.235 121.927 119.600 0.153 0.000 2.464 51 M HA 0.851 5.332 4.480 0.002 0.000 0.308 51 M C -2.062 174.272 176.300 0.058 0.000 1.127 51 M CA -0.718 54.627 55.300 0.076 0.000 0.913 51 M CB 2.069 34.710 32.600 0.068 0.000 1.689 51 M HN 0.848 nan 8.290 nan 0.000 0.445 52 V N 3.950 123.876 119.914 0.020 0.000 2.888 52 V HA 0.461 4.582 4.120 0.002 0.000 0.309 52 V C -1.368 174.687 176.094 -0.064 0.000 1.114 52 V CA -0.628 61.690 62.300 0.030 0.000 0.940 52 V CB 2.490 34.368 31.823 0.092 0.000 1.021 52 V HN 0.896 nan 8.190 nan 0.000 0.426 53 D N 3.772 124.087 120.400 -0.141 0.000 2.312 53 D HA 0.281 4.922 4.640 0.002 0.000 0.252 53 D C -0.384 175.630 176.300 -0.477 0.000 1.150 53 D CA 0.184 53.856 54.000 -0.548 0.000 0.870 53 D CB 2.027 42.163 40.800 -1.107 0.000 1.153 53 D HN 0.342 nan 8.370 nan 0.000 0.457 54 V N 4.414 124.013 119.914 -0.524 0.000 2.217 54 V HA 0.089 4.210 4.120 0.002 0.000 0.264 54 V C -0.208 175.683 176.094 -0.339 0.000 1.107 54 V CA -0.870 61.132 62.300 -0.496 0.000 0.913 54 V CB -0.518 31.078 31.823 -0.379 0.000 1.153 54 V HN 0.457 nan 8.190 nan 0.000 0.469 55 W N 3.219 124.526 121.300 0.012 0.000 2.505 55 W HA 0.015 4.677 4.660 0.003 0.000 0.332 55 W C 1.134 177.747 176.519 0.158 0.000 1.434 55 W CA -0.137 57.237 57.345 0.048 0.000 1.320 55 W CB 0.240 29.748 29.460 0.079 0.000 1.363 55 W HN 0.757 nan 8.180 nan 0.000 0.565 56 W N 3.599 124.969 121.300 0.117 0.000 2.338 56 W HA -0.154 4.509 4.660 0.005 0.000 0.304 56 W C 1.954 178.595 176.519 0.203 0.000 1.212 56 W CA 2.112 59.502 57.345 0.075 0.000 1.264 56 W CB -0.857 28.568 29.460 -0.058 0.000 1.142 56 W HN 0.386 nan 8.180 nan 0.000 0.512 57 G N 0.208 109.095 108.800 0.146 0.000 2.586 57 G HA2 -0.143 3.818 3.960 0.002 0.000 0.215 57 G HA3 -0.143 3.818 3.960 0.002 0.000 0.215 57 G C 1.396 176.310 174.900 0.023 0.000 1.128 57 G CA 1.095 46.142 45.100 -0.090 0.000 0.774 57 G HN 0.395 nan 8.290 nan 0.000 0.543 58 I N -0.241 120.440 120.570 0.186 0.000 3.136 58 I HA 0.105 4.276 4.170 0.002 0.000 0.262 58 I C 2.192 178.413 176.117 0.173 0.000 1.132 58 I CA -0.177 61.241 61.300 0.197 0.000 1.450 58 I CB 0.034 38.241 38.000 0.346 0.000 1.315 58 I HN -0.046 nan 8.210 nan 0.000 0.460 59 I N 1.025 121.713 120.570 0.196 0.000 2.142 59 I HA -0.253 3.918 4.170 0.002 0.000 0.240 59 I C 1.791 177.983 176.117 0.125 0.000 1.078 59 I CA 1.772 63.091 61.300 0.031 0.000 1.343 59 I CB -0.900 36.991 38.000 -0.181 0.000 1.046 59 I HN 0.318 nan 8.210 nan 0.000 0.405 60 E N 0.799 121.207 120.200 0.345 0.000 2.405 60 E HA 0.029 4.380 4.350 0.002 0.000 0.214 60 E C 1.469 178.245 176.600 0.294 0.000 1.101 60 E CA -0.242 56.375 56.400 0.361 0.000 1.254 60 E CB 0.158 30.303 29.700 0.743 0.000 1.240 60 E HN 0.178 nan 8.360 nan 0.000 0.439 61 L N 0.674 121.992 121.223 0.158 0.000 2.131 61 L HA -0.001 4.340 4.340 0.002 0.000 0.206 61 L C 1.851 178.827 176.870 0.177 0.000 1.087 61 L CA 1.588 56.509 54.840 0.135 0.000 0.767 61 L CB -0.042 42.053 42.059 0.059 0.000 0.917 61 L HN -0.010 nan 8.230 nan 0.000 0.441 62 K N 0.256 120.711 120.400 0.091 0.000 2.103 62 K HA 0.152 4.473 4.320 0.002 0.000 0.207 62 K C 0.689 177.280 176.600 -0.014 0.000 1.048 62 K CA 0.895 57.203 56.287 0.034 0.000 0.930 62 K CB -0.461 32.034 32.500 -0.009 0.000 0.716 62 K HN 0.555 nan 8.250 nan 0.000 0.444 63 G N -1.805 106.935 108.800 -0.100 0.000 2.325 63 G HA2 0.193 4.154 3.960 0.002 0.000 0.297 63 G HA3 0.193 4.154 3.960 0.002 0.000 0.297 63 G C -3.074 171.352 174.900 -0.789 0.000 1.448 63 G CA -1.240 43.580 45.100 -0.466 0.000 0.838 63 G HN -0.293 nan 8.290 nan 0.000 0.579 64 P HA 0.150 nan 4.420 nan 0.000 0.258 64 P C 0.222 177.204 177.300 -0.531 0.000 1.172 64 P CA 0.734 63.178 63.100 -1.093 0.000 0.762 64 P CB 0.266 31.355 31.700 -1.018 0.000 0.764 65 K N 0.551 120.689 120.400 -0.438 0.000 3.341 65 K HA -0.237 4.084 4.320 0.002 0.000 0.305 65 K C -0.339 175.796 176.600 -0.776 0.000 1.270 65 K CA 0.810 56.711 56.287 -0.644 0.000 0.897 65 K CB -1.410 30.955 32.500 -0.224 0.000 1.264 65 K HN 0.647 nan 8.250 nan 0.000 0.468 66 Q N 0.828 120.252 119.800 -0.627 0.000 2.465 66 Q HA 0.242 4.583 4.340 0.002 0.000 0.237 66 Q C -1.087 174.715 176.000 -0.331 0.000 1.051 66 Q CA -0.347 55.240 55.803 -0.360 0.000 0.874 66 Q CB 0.439 29.051 28.738 -0.209 0.000 1.207 66 Q HN 0.095 nan 8.270 nan 0.000 0.508 67 Y N 0.767 121.062 120.300 -0.008 0.000 2.328 67 Y HA 0.265 4.816 4.550 0.002 0.000 0.337 67 Y C 0.082 175.837 175.900 -0.242 0.000 1.008 67 Y CA -1.342 56.640 58.100 -0.196 0.000 1.129 67 Y CB 1.098 39.467 38.460 -0.152 0.000 1.185 67 Y HN 0.401 nan 8.280 nan 0.000 0.476 68 D N 2.730 123.014 120.400 -0.194 0.000 2.461 68 D HA 0.187 4.828 4.640 0.002 0.000 0.240 68 D C -0.772 175.467 176.300 -0.101 0.000 1.094 68 D CA -0.696 53.271 54.000 -0.056 0.000 0.868 68 D CB 0.377 41.192 40.800 0.025 0.000 1.062 68 D HN 0.596 nan 8.370 nan 0.000 0.530 69 W N 2.834 124.248 121.300 0.190 0.000 3.220 69 W HA 0.234 4.897 4.660 0.004 0.000 0.328 69 W C 2.029 178.666 176.519 0.196 0.000 1.205 69 W CA -0.519 56.938 57.345 0.186 0.000 1.773 69 W CB 0.370 29.889 29.460 0.098 0.000 1.086 69 W HN 0.259 nan 8.180 nan 0.000 0.622 70 R N 1.078 121.787 120.500 0.348 0.000 2.115 70 R HA -0.249 4.092 4.340 0.002 0.000 0.239 70 R C 2.364 178.815 176.300 0.251 0.000 1.133 70 R CA 2.178 58.436 56.100 0.262 0.000 0.935 70 R CB -1.076 29.340 30.300 0.192 0.000 0.853 70 R HN 0.196 nan 8.270 nan 0.000 0.433 71 A N 0.056 123.017 122.820 0.235 0.000 1.933 71 A HA -0.181 4.140 4.320 0.002 0.000 0.218 71 A C 1.942 179.555 177.584 0.048 0.000 1.175 71 A CA 1.260 53.397 52.037 0.167 0.000 0.628 71 A CB -0.655 18.429 19.000 0.140 0.000 0.814 71 A HN 0.379 nan 8.150 nan 0.000 0.444 72 Y N -0.432 119.957 120.300 0.150 0.000 2.314 72 Y HA -0.085 4.466 4.550 0.002 0.000 0.293 72 Y C 2.652 178.563 175.900 0.018 0.000 1.129 72 Y CA 1.487 59.642 58.100 0.092 0.000 1.201 72 Y CB -0.104 38.522 38.460 0.278 0.000 0.999 72 Y HN 0.219 nan 8.280 nan 0.000 0.541 73 R N -0.820 119.840 120.500 0.266 0.000 2.096 73 R HA -0.141 4.200 4.340 0.002 0.000 0.235 73 R C 2.304 178.708 176.300 0.173 0.000 1.127 73 R CA 1.568 57.834 56.100 0.276 0.000 0.968 73 R CB -0.360 30.157 30.300 0.362 0.000 0.861 73 R HN 0.191 nan 8.270 nan 0.000 0.440 74 S N 1.135 116.915 115.700 0.133 0.000 2.383 74 S HA -0.115 4.356 4.470 0.002 0.000 0.227 74 S C 1.747 176.318 174.600 -0.048 0.000 1.026 74 S CA 0.790 59.085 58.200 0.158 0.000 0.981 74 S CB -0.177 63.208 63.200 0.309 0.000 0.818 74 S HN 0.169 nan 8.310 nan 0.000 0.472 75 L N 1.681 122.635 121.223 -0.449 0.000 1.976 75 L HA -0.018 4.323 4.340 0.002 0.000 0.209 75 L C 1.891 178.532 176.870 -0.383 0.000 1.071 75 L CA 1.699 56.062 54.840 -0.795 0.000 0.746 75 L CB -0.842 40.711 42.059 -0.843 0.000 0.890 75 L HN 0.157 nan 8.230 nan 0.000 0.432 76 L N -0.429 120.553 121.223 -0.402 0.000 2.127 76 L HA -0.213 4.128 4.340 0.002 0.000 0.211 76 L C 2.615 179.141 176.870 -0.574 0.000 1.089 76 L CA 1.742 56.202 54.840 -0.633 0.000 0.757 76 L CB -1.029 40.293 42.059 -1.227 0.000 0.899 76 L HN 0.479 nan 8.230 nan 0.000 0.434 77 Q N -0.525 119.125 119.800 -0.251 0.000 2.046 77 Q HA -0.201 4.140 4.340 0.002 0.000 0.200 77 Q C 2.128 178.192 176.000 0.107 0.000 0.975 77 Q CA 1.645 57.550 55.803 0.171 0.000 0.836 77 Q CB -0.490 28.436 28.738 0.314 0.000 0.896 77 Q HN 0.373 nan 8.270 nan 0.000 0.428 78 L N -0.454 120.820 121.223 0.086 0.000 2.012 78 L HA -0.128 4.213 4.340 0.002 0.000 0.210 78 L C 2.119 179.031 176.870 0.070 0.000 1.073 78 L CA 1.730 56.643 54.840 0.121 0.000 0.748 78 L CB -0.953 41.242 42.059 0.228 0.000 0.891 78 L HN 0.174 nan 8.230 nan 0.000 0.431 79 V N -0.061 119.859 119.914 0.010 0.000 2.332 79 V HA -0.374 3.747 4.120 0.002 0.000 0.248 79 V C 2.659 178.775 176.094 0.037 0.000 1.055 79 V CA 2.195 64.502 62.300 0.012 0.000 1.038 79 V CB -0.816 30.987 31.823 -0.033 0.000 0.651 79 V HN 0.712 nan 8.190 nan 0.000 0.450 80 Q N 0.025 119.848 119.800 0.039 0.000 2.050 80 Q HA -0.264 4.077 4.340 0.002 0.000 0.202 80 Q C 2.194 178.251 176.000 0.095 0.000 0.980 80 Q CA 2.113 57.973 55.803 0.094 0.000 0.840 80 Q CB -0.138 28.706 28.738 0.176 0.000 0.898 80 Q HN 0.752 nan 8.270 nan 0.000 0.424 81 E N -0.571 119.687 120.200 0.096 0.000 2.204 81 E HA -0.172 4.179 4.350 0.002 0.000 0.195 81 E C 1.871 178.508 176.600 0.063 0.000 0.990 81 E CA 1.021 57.470 56.400 0.083 0.000 0.821 81 E CB -0.035 29.717 29.700 0.087 0.000 0.750 81 E HN 0.402 nan 8.360 nan 0.000 0.477 82 C N 0.113 119.448 119.300 0.058 0.000 2.562 82 C HA 0.193 4.654 4.460 0.002 0.000 0.266 82 C C 1.661 176.666 174.990 0.024 0.000 1.382 82 C CA 0.488 59.530 59.018 0.040 0.000 1.742 82 C CB -1.051 26.714 27.740 0.042 0.000 1.812 82 C HN 0.702 nan 8.230 nan 0.000 0.559 83 G N 0.621 109.446 108.800 0.041 0.000 2.149 83 G HA2 -0.220 3.741 3.960 0.002 0.000 0.235 83 G HA3 -0.220 3.741 3.960 0.002 0.000 0.235 83 G C -0.250 174.670 174.900 0.033 0.000 1.018 83 G CA -0.070 45.052 45.100 0.038 0.000 0.728 83 G HN 0.506 nan 8.290 nan 0.000 0.508 84 L N 0.711 121.969 121.223 0.058 0.000 2.330 84 L HA 0.744 5.085 4.340 0.002 0.000 0.271 84 L C 1.161 178.112 176.870 0.135 0.000 1.013 84 L CA -0.582 54.309 54.840 0.086 0.000 0.816 84 L CB 1.986 44.090 42.059 0.076 0.000 1.287 84 L HN 0.320 nan 8.230 nan 0.000 0.435 85 T N -0.137 114.537 114.554 0.200 0.000 2.881 85 T HA 0.583 4.934 4.350 0.002 0.000 0.278 85 T C -0.573 174.251 174.700 0.207 0.000 0.982 85 T CA -0.746 61.486 62.100 0.219 0.000 0.989 85 T CB 1.812 70.862 68.868 0.305 0.000 1.058 85 T HN 0.362 nan 8.240 nan 0.000 0.529 86 L N 0.806 122.115 121.223 0.145 0.000 2.431 86 L HA 0.410 4.751 4.340 0.002 0.000 0.266 86 L C -1.301 175.586 176.870 0.028 0.000 0.978 86 L CA -0.644 54.251 54.840 0.092 0.000 0.822 86 L CB 2.185 44.270 42.059 0.044 0.000 1.310 86 L HN 0.912 nan 8.230 nan 0.000 0.409 87 Q N 3.857 123.646 119.800 -0.019 0.000 2.368 87 Q HA 0.641 4.982 4.340 0.002 0.000 0.256 87 Q C -0.364 175.590 176.000 -0.076 0.000 0.980 87 Q CA -0.522 55.225 55.803 -0.093 0.000 0.887 87 Q CB 1.993 30.633 28.738 -0.164 0.000 1.221 87 Q HN 0.677 nan 8.270 nan 0.000 0.458 88 A N 4.184 126.938 122.820 -0.109 0.000 2.274 88 A HA 0.543 4.865 4.320 0.002 0.000 0.309 88 A C -0.365 177.057 177.584 -0.270 0.000 1.226 88 A CA -0.613 51.329 52.037 -0.159 0.000 0.853 88 A CB 0.314 19.226 19.000 -0.147 0.000 1.146 88 A HN 0.786 nan 8.150 nan 0.000 0.518 89 I N 3.530 123.938 120.570 -0.271 0.000 2.315 89 I HA 0.173 4.344 4.170 0.002 0.000 0.291 89 I C -0.039 175.829 176.117 -0.414 0.000 1.006 89 I CA -0.371 60.743 61.300 -0.309 0.000 1.265 89 I CB 1.391 39.225 38.000 -0.277 0.000 1.387 89 I HN 0.507 nan 8.210 nan 0.000 0.475 90 M N 5.228 124.565 119.600 -0.439 0.000 2.775 90 M HA 0.131 4.612 4.480 0.002 0.000 0.313 90 M C 0.033 175.830 176.300 -0.838 0.000 1.429 90 M CA 0.188 55.115 55.300 -0.622 0.000 1.494 90 M CB -0.481 31.801 32.600 -0.531 0.000 1.274 90 M HN 0.402 nan 8.290 nan 0.000 0.491 91 S N 3.275 118.568 115.700 -0.680 0.000 3.072 91 S HA 0.245 4.716 4.470 0.002 0.000 0.306 91 S C 0.349 174.779 174.600 -0.284 0.000 1.207 91 S CA -0.385 57.533 58.200 -0.471 0.000 1.008 91 S CB -0.709 61.916 63.200 -0.957 0.000 1.390 91 S HN 0.382 nan 8.310 nan 0.000 0.523 92 F N 3.524 123.527 119.950 0.089 0.000 2.757 92 F HA 0.175 4.703 4.527 0.002 0.000 0.292 92 F C 1.484 177.624 175.800 0.567 0.000 1.204 92 F CA -0.473 57.589 58.000 0.103 0.000 1.417 92 F CB -0.495 38.212 39.000 -0.489 0.000 1.001 92 F HN 0.553 nan 8.300 nan 0.000 0.508 93 H N -1.697 117.714 119.070 0.569 0.000 2.949 93 H HA 0.375 4.933 4.556 0.003 0.000 0.356 93 H C -0.835 174.800 175.328 0.513 0.000 1.212 93 H CA -1.299 55.087 56.048 0.565 0.000 1.136 93 H CB 0.820 30.827 29.762 0.408 0.000 1.869 93 H HN 0.160 nan 8.280 nan 0.000 0.556 94 Q N 0.681 120.693 119.800 0.353 0.000 2.352 94 Q HA 0.330 4.671 4.340 0.002 0.000 0.260 94 Q C -0.872 175.111 176.000 -0.028 0.000 0.976 94 Q CA -0.442 55.414 55.803 0.088 0.000 0.881 94 Q CB 0.798 29.573 28.738 0.063 0.000 1.235 94 Q HN 0.589 nan 8.270 nan 0.000 0.419 95 C N 4.157 123.198 119.300 -0.430 0.000 2.355 95 C HA 0.835 5.296 4.460 0.002 0.000 0.332 95 C C 0.906 175.720 174.990 -0.294 0.000 1.255 95 C CA 0.951 59.618 59.018 -0.585 0.000 1.792 95 C CB -0.367 26.483 27.740 -1.484 0.000 2.300 95 C HN 1.143 nan 8.230 nan 0.000 0.515 96 G N 3.601 112.314 108.800 -0.144 0.000 2.552 96 G HA2 0.299 4.260 3.960 0.002 0.000 0.265 96 G HA3 0.299 4.260 3.960 0.002 0.000 0.265 96 G C 0.941 175.797 174.900 -0.074 0.000 1.234 96 G CA 0.857 45.899 45.100 -0.097 0.000 0.944 96 G HN 2.631 nan 8.290 nan 0.000 0.568 97 G N -2.195 106.560 108.800 -0.074 0.000 2.253 97 G HA2 -0.176 3.785 3.960 0.002 0.000 0.209 97 G HA3 -0.176 3.785 3.960 0.002 0.000 0.209 97 G C 0.218 175.090 174.900 -0.047 0.000 0.997 97 G CA 0.987 46.049 45.100 -0.063 0.000 0.640 97 G HN 1.454 nan 8.290 nan 0.000 0.496 98 N N 0.656 119.334 118.700 -0.036 0.000 2.489 98 N HA 0.528 5.269 4.740 0.002 0.000 0.284 98 N C 0.610 176.105 175.510 -0.025 0.000 1.158 98 N CA 0.230 53.265 53.050 -0.025 0.000 0.965 98 N CB 2.001 40.481 38.487 -0.011 0.000 1.195 98 N HN 0.817 nan 8.380 nan 0.000 0.506 99 V N -1.320 118.581 119.914 -0.021 0.000 2.599 99 V HA 0.437 4.559 4.120 0.002 0.000 0.300 99 V C 1.347 177.430 176.094 -0.018 0.000 1.034 99 V CA 0.504 62.792 62.300 -0.020 0.000 1.115 99 V CB -0.038 31.775 31.823 -0.017 0.000 0.934 99 V HN 0.993 nan 8.190 nan 0.000 0.485 100 G N 3.030 111.818 108.800 -0.019 0.000 2.254 100 G HA2 -0.210 3.751 3.960 0.002 0.000 0.225 100 G HA3 -0.210 3.751 3.960 0.002 0.000 0.225 100 G C -0.082 174.807 174.900 -0.018 0.000 1.003 100 G CA 0.077 45.167 45.100 -0.017 0.000 0.622 100 G HN 0.851 nan 8.290 nan 0.000 0.507 101 D N 0.875 121.261 120.400 -0.022 0.000 2.434 101 D HA 0.339 4.981 4.640 0.002 0.000 0.252 101 D C 1.843 178.123 176.300 -0.033 0.000 1.185 101 D CA 0.015 53.999 54.000 -0.027 0.000 0.886 101 D CB 0.710 41.488 40.800 -0.037 0.000 1.148 101 D HN 0.331 nan 8.370 nan 0.000 0.483 102 I N 1.460 122.014 120.570 -0.027 0.000 2.193 102 I HA -0.159 4.012 4.170 0.002 0.000 0.240 102 I C 0.940 177.031 176.117 -0.044 0.000 1.084 102 I CA 0.808 62.091 61.300 -0.028 0.000 1.365 102 I CB 0.089 38.081 38.000 -0.015 0.000 1.064 102 I HN 0.110 nan 8.210 nan 0.000 0.410 103 V N 3.462 123.343 119.914 -0.055 0.000 2.348 103 V HA 0.211 4.332 4.120 0.002 0.000 0.270 103 V C -0.517 175.484 176.094 -0.156 0.000 1.037 103 V CA -0.442 61.801 62.300 -0.094 0.000 0.872 103 V CB 0.528 32.300 31.823 -0.085 0.000 1.002 103 V HN 0.276 nan 8.190 nan 0.000 0.464 104 N N 6.094 124.696 118.700 -0.162 0.000 2.417 104 N HA 0.563 5.304 4.740 0.002 0.000 0.274 104 N C -0.789 174.569 175.510 -0.253 0.000 0.987 104 N CA -0.273 52.661 53.050 -0.193 0.000 0.912 104 N CB 2.543 40.953 38.487 -0.128 0.000 1.177 104 N HN 0.518 nan 8.380 nan 0.000 0.490 105 I N 3.642 123.988 120.570 -0.374 0.000 2.623 105 I HA 0.231 4.403 4.170 0.002 0.000 0.275 105 I C -2.211 173.720 176.117 -0.309 0.000 1.108 105 I CA -1.728 59.332 61.300 -0.400 0.000 1.120 105 I CB 1.971 39.537 38.000 -0.724 0.000 1.249 105 I HN 0.129 nan 8.210 nan 0.000 0.500 106 P HA 0.169 nan 4.420 nan 0.000 0.273 106 P C 0.143 177.340 177.300 -0.172 0.000 1.250 106 P CA -0.166 62.840 63.100 -0.155 0.000 0.793 106 P CB 1.011 32.631 31.700 -0.134 0.000 1.011 107 I N -2.844 117.625 120.570 -0.170 0.000 3.194 107 I HA 0.268 4.439 4.170 0.002 0.000 0.283 107 I C -2.285 173.497 176.117 -0.557 0.000 1.199 107 I CA -2.621 58.462 61.300 -0.362 0.000 1.328 107 I CB -1.231 36.589 38.000 -0.299 0.000 1.404 107 I HN 0.087 nan 8.210 nan 0.000 0.618 108 P HA -0.105 nan 4.420 nan 0.000 0.259 108 P C -0.018 176.910 177.300 -0.621 0.000 1.163 108 P CA 0.491 63.090 63.100 -0.835 0.000 0.760 108 P CB 0.428 31.304 31.700 -1.373 0.000 0.762 109 Q N 5.272 124.906 119.800 -0.277 0.000 2.135 109 Q HA -0.176 4.166 4.340 0.002 0.000 0.204 109 Q C 1.563 177.540 176.000 -0.038 0.000 0.981 109 Q CA 1.937 57.674 55.803 -0.111 0.000 0.856 109 Q CB -0.641 28.094 28.738 -0.005 0.000 0.902 109 Q HN 0.695 nan 8.270 nan 0.000 0.425 110 W N -1.265 120.029 121.300 -0.010 0.000 2.465 110 W HA -0.016 4.644 4.660 -0.000 0.000 0.268 110 W C 1.103 177.682 176.519 0.100 0.000 1.242 110 W CA 0.815 58.201 57.345 0.068 0.000 1.248 110 W CB -0.633 28.878 29.460 0.086 0.000 1.118 110 W HN -0.006 nan 8.180 nan 0.000 0.587 111 V N 2.119 121.631 119.914 -0.671 0.000 2.446 111 V HA -0.241 3.880 4.120 0.002 0.000 0.244 111 V C 2.668 178.698 176.094 -0.107 0.000 1.039 111 V CA 1.383 63.348 62.300 -0.557 0.000 1.045 111 V CB -0.722 30.537 31.823 -0.941 0.000 0.681 111 V HN 0.082 nan 8.190 nan 0.000 0.459 112 L N -0.141 121.033 121.223 -0.082 0.000 2.083 112 L HA -0.176 4.165 4.340 0.002 0.000 0.209 112 L C 2.323 179.290 176.870 0.162 0.000 1.083 112 L CA 1.455 56.371 54.840 0.127 0.000 0.752 112 L CB -0.732 41.356 42.059 0.048 0.000 0.899 112 L HN 0.331 nan 8.230 nan 0.000 0.433 113 D N 0.282 120.758 120.400 0.127 0.000 2.144 113 D HA -0.160 4.481 4.640 0.002 0.000 0.199 113 D C 2.275 178.664 176.300 0.149 0.000 0.984 113 D CA 1.302 55.392 54.000 0.150 0.000 0.834 113 D CB -0.032 40.873 40.800 0.176 0.000 0.955 113 D HN 0.366 nan 8.370 nan 0.000 0.465 114 I N 0.889 121.546 120.570 0.145 0.000 2.394 114 I HA -0.135 4.037 4.170 0.002 0.000 0.251 114 I C 2.499 178.654 176.117 0.065 0.000 1.136 114 I CA 1.067 62.417 61.300 0.084 0.000 1.425 114 I CB -0.312 37.743 38.000 0.091 0.000 1.079 114 I HN -0.001 nan 8.210 nan 0.000 0.425 115 G N 0.269 109.140 108.800 0.119 0.000 2.422 115 G HA2 -0.180 3.781 3.960 0.002 0.000 0.218 115 G HA3 -0.180 3.781 3.960 0.002 0.000 0.218 115 G C 1.497 176.611 174.900 0.356 0.000 1.140 115 G CA 0.267 45.463 45.100 0.160 0.000 0.775 115 G HN 0.295 nan 8.290 nan 0.000 0.545 116 E N 0.950 121.324 120.200 0.289 0.000 2.118 116 E HA -0.079 4.273 4.350 0.002 0.000 0.195 116 E C 2.389 179.057 176.600 0.113 0.000 0.992 116 E CA 1.149 57.717 56.400 0.280 0.000 0.804 116 E CB -0.182 29.628 29.700 0.184 0.000 0.741 116 E HN 0.374 nan 8.360 nan 0.000 0.458 117 S N 0.102 115.822 115.700 0.034 0.000 2.556 117 S HA 0.056 4.527 4.470 0.002 0.000 0.216 117 S C 0.510 175.038 174.600 -0.120 0.000 0.970 117 S CA -0.253 57.910 58.200 -0.063 0.000 0.912 117 S CB 0.086 63.274 63.200 -0.019 0.000 0.790 117 S HN 0.218 nan 8.310 nan 0.000 0.504 118 N N 0.264 118.916 118.700 -0.081 0.000 2.751 118 N HA 0.186 4.927 4.740 0.002 0.000 0.238 118 N C -0.028 175.506 175.510 0.041 0.000 1.351 118 N CA -0.125 52.886 53.050 -0.064 0.000 0.751 118 N CB 0.380 38.831 38.487 -0.060 0.000 1.342 118 N HN 0.223 nan 8.380 nan 0.000 0.540 119 H N 0.243 119.361 119.070 0.081 0.000 2.518 119 H HA -0.053 4.504 4.556 0.002 0.000 0.289 119 H C 0.356 175.775 175.328 0.151 0.000 1.051 119 H CA 0.510 56.664 56.048 0.176 0.000 1.280 119 H CB 0.476 30.355 29.762 0.195 0.000 1.380 119 H HN 0.512 nan 8.280 nan 0.000 0.566 120 D N 1.250 121.773 120.400 0.205 0.000 2.352 120 D HA -0.037 4.604 4.640 0.002 0.000 0.232 120 D C 1.696 178.123 176.300 0.213 0.000 1.055 120 D CA 0.408 54.535 54.000 0.212 0.000 0.891 120 D CB 0.125 40.992 40.800 0.111 0.000 0.897 120 D HN 0.668 nan 8.370 nan 0.000 0.529 121 I N -3.430 117.102 120.570 -0.063 0.000 3.578 121 I HA 0.106 4.277 4.170 0.002 0.000 0.295 121 I C -0.104 175.822 176.117 -0.318 0.000 1.280 121 I CA 0.096 61.263 61.300 -0.222 0.000 1.347 121 I CB -0.068 37.732 38.000 -0.334 0.000 1.051 121 I HN -0.339 nan 8.210 nan 0.000 0.460 122 F N 0.206 120.242 119.950 0.142 0.000 2.470 122 F HA 0.494 5.022 4.527 0.002 0.000 0.329 122 F C -0.036 175.861 175.800 0.161 0.000 1.072 122 F CA -1.276 56.793 58.000 0.116 0.000 0.989 122 F CB 0.254 39.345 39.000 0.151 0.000 1.193 122 F HN -0.240 nan 8.300 nan 0.000 0.481 123 Y N 0.899 121.464 120.300 0.443 0.000 2.632 123 Y HA 0.233 4.784 4.550 0.002 0.000 0.329 123 Y C 0.635 176.743 175.900 0.347 0.000 1.174 123 Y CA 0.167 58.491 58.100 0.373 0.000 1.469 123 Y CB 0.015 38.686 38.460 0.352 0.000 1.242 123 Y HN 0.415 nan 8.280 nan 0.000 0.540 124 T N 5.240 120.110 114.554 0.527 0.000 2.841 124 T HA 0.270 4.622 4.350 0.002 0.000 0.283 124 T C -0.187 174.766 174.700 0.422 0.000 1.000 124 T CA -1.182 61.163 62.100 0.407 0.000 0.977 124 T CB 0.819 69.900 68.868 0.355 0.000 0.979 124 T HN 0.615 nan 8.240 nan 0.000 0.446 125 N N 1.809 120.679 118.700 0.283 0.000 2.405 125 N HA 0.219 4.960 4.740 0.002 0.000 0.269 125 N C 1.140 176.525 175.510 -0.208 0.000 1.249 125 N CA -0.889 52.255 53.050 0.158 0.000 0.974 125 N CB 0.700 39.257 38.487 0.117 0.000 1.204 125 N HN 0.548 nan 8.380 nan 0.000 0.565 126 R N -0.127 119.946 120.500 -0.712 0.000 2.103 126 R HA -0.076 4.265 4.340 0.002 0.000 0.242 126 R C 1.447 177.473 176.300 -0.457 0.000 1.142 126 R CA 1.907 57.338 56.100 -1.114 0.000 0.960 126 R CB -0.425 29.324 30.300 -0.919 0.000 0.858 126 R HN 0.650 nan 8.270 nan 0.000 0.439 127 S N -1.210 114.343 115.700 -0.245 0.000 2.481 127 S HA 0.084 4.555 4.470 0.002 0.000 0.231 127 S C 1.145 175.718 174.600 -0.045 0.000 0.996 127 S CA 0.927 59.060 58.200 -0.112 0.000 0.942 127 S CB 0.502 63.670 63.200 -0.054 0.000 0.768 127 S HN 0.758 nan 8.310 nan 0.000 0.520 128 G N 0.879 109.667 108.800 -0.020 0.000 2.163 128 G HA2 -0.209 3.752 3.960 0.002 0.000 0.213 128 G HA3 -0.209 3.752 3.960 0.002 0.000 0.213 128 G C 0.127 175.078 174.900 0.085 0.000 0.991 128 G CA 0.028 45.160 45.100 0.053 0.000 0.653 128 G HN 0.436 nan 8.290 nan 0.000 0.518 129 T N 2.583 117.189 114.554 0.087 0.000 2.901 129 T HA 0.492 4.843 4.350 0.002 0.000 0.301 129 T C 0.527 175.304 174.700 0.128 0.000 1.012 129 T CA -0.015 62.140 62.100 0.091 0.000 1.135 129 T CB 0.823 69.756 68.868 0.108 0.000 0.936 129 T HN 0.265 nan 8.240 nan 0.000 0.539 130 R N 3.420 123.968 120.500 0.081 0.000 2.346 130 R HA 0.322 4.663 4.340 0.002 0.000 0.311 130 R C -0.118 176.188 176.300 0.011 0.000 0.983 130 R CA -0.700 55.467 56.100 0.112 0.000 0.880 130 R CB 0.583 30.940 30.300 0.094 0.000 1.100 130 R HN 0.495 nan 8.270 nan 0.000 0.453 131 N N 2.560 121.319 118.700 0.099 0.000 2.457 131 N HA 0.089 4.830 4.740 0.002 0.000 0.250 131 N C -0.314 175.127 175.510 -0.116 0.000 0.982 131 N CA -0.181 52.892 53.050 0.038 0.000 0.941 131 N CB 0.887 39.491 38.487 0.193 0.000 1.120 131 N HN 0.395 nan 8.380 nan 0.000 0.505 132 K N 2.131 122.302 120.400 -0.381 0.000 2.520 132 K HA 0.033 4.354 4.320 0.002 0.000 0.205 132 K C 0.890 177.433 176.600 -0.095 0.000 1.035 132 K CA 0.060 55.964 56.287 -0.638 0.000 1.188 132 K CB 0.353 32.371 32.500 -0.803 0.000 0.894 132 K HN 0.651 nan 8.250 nan 0.000 0.497 133 E N -0.199 120.058 120.200 0.095 0.000 2.442 133 E HA -0.063 4.288 4.350 0.002 0.000 0.195 133 E C -0.170 176.696 176.600 0.443 0.000 1.030 133 E CA 0.263 56.793 56.400 0.216 0.000 0.869 133 E CB 0.095 29.907 29.700 0.186 0.000 0.857 133 E HN 0.205 nan 8.360 nan 0.000 0.505 134 Y N -0.079 120.410 120.300 0.315 0.000 2.641 134 Y HA 0.336 4.887 4.550 0.002 0.000 0.333 134 Y C -1.779 174.306 175.900 0.308 0.000 1.174 134 Y CA -1.177 57.132 58.100 0.349 0.000 1.057 134 Y CB 1.259 39.919 38.460 0.333 0.000 1.322 134 Y HN -0.124 nan 8.280 nan 0.000 0.457 135 L N 3.626 124.643 121.223 -0.345 0.000 2.305 135 L HA 0.352 4.693 4.340 0.002 0.000 0.281 135 L C 0.680 177.290 176.870 -0.432 0.000 1.085 135 L CA -0.568 54.096 54.840 -0.293 0.000 0.813 135 L CB 1.329 43.172 42.059 -0.360 0.000 1.157 135 L HN 0.752 nan 8.230 nan 0.000 0.436 136 T N 1.467 115.723 114.554 -0.497 0.000 2.908 136 T HA 0.024 4.375 4.350 0.002 0.000 0.325 136 T C 1.378 175.838 174.700 -0.401 0.000 1.092 136 T CA -0.537 61.046 62.100 -0.863 0.000 1.125 136 T CB 0.827 69.430 68.868 -0.441 0.000 1.016 136 T HN 0.368 nan 8.240 nan 0.000 0.550 137 V N 4.315 124.045 119.914 -0.308 0.000 2.594 137 V HA -0.033 4.088 4.120 0.002 0.000 0.253 137 V C 2.865 178.925 176.094 -0.056 0.000 1.069 137 V CA 1.992 64.178 62.300 -0.190 0.000 1.082 137 V CB -1.607 30.093 31.823 -0.205 0.000 0.680 137 V HN 1.057 nan 8.190 nan 0.000 0.469 138 G N 0.911 109.706 108.800 -0.009 0.000 2.507 138 G HA2 -0.226 3.735 3.960 0.002 0.000 0.221 138 G HA3 -0.226 3.735 3.960 0.002 0.000 0.221 138 G C 1.423 176.251 174.900 -0.119 0.000 1.119 138 G CA 1.648 46.790 45.100 0.070 0.000 0.751 138 G HN 0.824 nan 8.290 nan 0.000 0.574 139 V N -2.534 117.246 119.914 -0.223 0.000 3.376 139 V HA 0.293 4.414 4.120 0.002 0.000 0.313 139 V C 1.367 177.384 176.094 -0.127 0.000 1.393 139 V CA 0.543 62.646 62.300 -0.328 0.000 1.125 139 V CB 0.368 31.980 31.823 -0.351 0.000 1.037 139 V HN -0.035 nan 8.190 nan 0.000 0.440 140 D N 2.864 123.222 120.400 -0.070 0.000 2.149 140 D HA -0.182 4.459 4.640 0.002 0.000 0.194 140 D C 1.388 177.655 176.300 -0.055 0.000 1.001 140 D CA 2.318 56.303 54.000 -0.025 0.000 0.849 140 D CB -0.221 40.631 40.800 0.086 0.000 0.939 140 D HN 0.727 nan 8.370 nan 0.000 0.449 141 N N -0.087 118.585 118.700 -0.047 0.000 2.275 141 N HA 0.065 4.806 4.740 0.002 0.000 0.236 141 N C -0.750 174.723 175.510 -0.061 0.000 1.154 141 N CA -0.146 52.880 53.050 -0.040 0.000 0.866 141 N CB 0.916 39.398 38.487 -0.008 0.000 1.093 141 N HN -0.025 nan 8.380 nan 0.000 0.515 142 E N 1.924 122.054 120.200 -0.118 0.000 2.109 142 E HA 0.141 4.493 4.350 0.002 0.000 0.278 142 E C -2.284 174.219 176.600 -0.162 0.000 0.954 142 E CA -1.871 54.423 56.400 -0.176 0.000 0.779 142 E CB 1.629 31.097 29.700 -0.387 0.000 1.093 142 E HN 0.117 nan 8.360 nan 0.000 0.401 143 P HA 0.099 nan 4.420 nan 0.000 0.226 143 P C 0.554 177.760 177.300 -0.156 0.000 1.783 143 P CA 0.169 63.221 63.100 -0.080 0.000 0.980 143 P CB -0.725 30.954 31.700 -0.035 0.000 1.967 144 I N -4.677 115.674 120.570 -0.364 0.000 3.976 144 I HA 0.342 4.514 4.170 0.002 0.000 0.337 144 I C -0.343 175.375 176.117 -0.666 0.000 1.359 144 I CA -0.418 60.573 61.300 -0.515 0.000 1.098 144 I CB -0.217 37.393 38.000 -0.651 0.000 1.027 144 I HN -0.255 nan 8.210 nan 0.000 0.394 145 F N 3.494 123.407 119.950 -0.063 0.000 2.344 145 F HA 0.462 4.990 4.527 0.002 0.000 0.344 145 F C 0.312 176.146 175.800 0.056 0.000 1.140 145 F CA -0.889 57.107 58.000 -0.007 0.000 1.256 145 F CB -0.633 38.443 39.000 0.127 0.000 1.573 145 F HN 0.142 nan 8.300 nan 0.000 0.547 146 H N 0.744 119.917 119.070 0.172 0.000 2.692 146 H HA -0.190 4.367 4.556 0.002 0.000 0.316 146 H C 1.519 176.879 175.328 0.054 0.000 1.176 146 H CA 0.762 56.859 56.048 0.081 0.000 1.142 146 H CB -1.212 28.572 29.762 0.036 0.000 1.475 146 H HN 0.904 nan 8.280 nan 0.000 0.423 147 G N -0.740 108.124 108.800 0.106 0.000 2.284 147 G HA2 -0.311 3.651 3.960 0.002 0.000 0.230 147 G HA3 -0.311 3.651 3.960 0.002 0.000 0.230 147 G C 0.549 175.491 174.900 0.070 0.000 1.021 147 G CA 0.330 45.472 45.100 0.069 0.000 0.619 147 G HN 0.579 nan 8.290 nan 0.000 0.510 148 R N 1.136 121.713 120.500 0.129 0.000 2.573 148 R HA 0.609 4.950 4.340 0.002 0.000 0.272 148 R C 0.746 177.141 176.300 0.157 0.000 1.009 148 R CA 0.118 56.292 56.100 0.124 0.000 1.059 148 R CB 0.916 31.303 30.300 0.145 0.000 1.112 148 R HN 0.381 nan 8.270 nan 0.000 0.517 149 T N -2.044 112.554 114.554 0.073 0.000 2.881 149 T HA 0.339 4.690 4.350 0.002 0.000 0.278 149 T C 1.314 175.996 174.700 -0.029 0.000 0.982 149 T CA -0.390 61.743 62.100 0.055 0.000 0.989 149 T CB 1.539 70.385 68.868 -0.035 0.000 1.058 149 T HN 0.589 nan 8.240 nan 0.000 0.529 150 A N 0.459 123.203 122.820 -0.126 0.000 1.902 150 A HA 0.032 4.354 4.320 0.002 0.000 0.217 150 A C 2.285 179.219 177.584 -1.083 0.000 1.181 150 A CA 1.250 52.887 52.037 -0.666 0.000 0.623 150 A CB -1.102 17.572 19.000 -0.543 0.000 0.818 150 A HN 0.864 nan 8.150 nan 0.000 0.443 151 I N -0.450 119.783 120.570 -0.562 0.000 2.226 151 I HA -0.255 3.916 4.170 0.002 0.000 0.245 151 I C 2.437 178.359 176.117 -0.325 0.000 1.100 151 I CA 1.560 62.620 61.300 -0.401 0.000 1.374 151 I CB -0.510 37.410 38.000 -0.134 0.000 1.057 151 I HN 0.447 nan 8.210 nan 0.000 0.413 152 E N 0.922 120.990 120.200 -0.220 0.000 2.118 152 E HA -0.212 4.139 4.350 0.002 0.000 0.195 152 E C 2.281 178.812 176.600 -0.114 0.000 0.992 152 E CA 1.193 57.530 56.400 -0.104 0.000 0.804 152 E CB -0.064 29.616 29.700 -0.033 0.000 0.741 152 E HN 0.511 nan 8.360 nan 0.000 0.458 153 I N 0.480 120.887 120.570 -0.271 0.000 2.142 153 I HA -0.298 3.873 4.170 0.002 0.000 0.240 153 I C 2.143 178.107 176.117 -0.255 0.000 1.078 153 I CA 1.231 62.396 61.300 -0.225 0.000 1.343 153 I CB -0.354 37.365 38.000 -0.468 0.000 1.046 153 I HN 0.127 nan 8.210 nan 0.000 0.405 154 Y N 0.195 120.145 120.300 -0.584 0.000 2.224 154 Y HA -0.231 4.320 4.550 0.001 0.000 0.289 154 Y C 3.004 178.803 175.900 -0.168 0.000 1.146 154 Y CA 1.195 58.771 58.100 -0.873 0.000 1.182 154 Y CB -1.429 36.356 38.460 -1.125 0.000 0.983 154 Y HN 0.136 nan 8.280 nan 0.000 0.524 155 S N -0.198 115.516 115.700 0.023 0.000 2.356 155 S HA -0.168 4.303 4.470 0.002 0.000 0.223 155 S C 1.753 176.421 174.600 0.114 0.000 1.032 155 S CA 1.575 59.815 58.200 0.068 0.000 1.005 155 S CB -0.351 62.858 63.200 0.015 0.000 0.867 155 S HN 0.424 nan 8.310 nan 0.000 0.449 156 D N -0.272 120.219 120.400 0.152 0.000 2.144 156 D HA -0.101 4.540 4.640 0.002 0.000 0.199 156 D C 1.606 178.040 176.300 0.222 0.000 0.984 156 D CA 1.113 55.240 54.000 0.212 0.000 0.834 156 D CB -0.534 40.461 40.800 0.324 0.000 0.955 156 D HN 0.577 nan 8.370 nan 0.000 0.465 157 Y N 1.103 121.520 120.300 0.195 0.000 2.097 157 Y HA -0.211 4.340 4.550 0.001 0.000 0.282 157 Y C 2.478 178.496 175.900 0.197 0.000 1.152 157 Y CA 1.647 59.873 58.100 0.209 0.000 1.136 157 Y CB -0.184 38.575 38.460 0.498 0.000 0.975 157 Y HN -0.136 nan 8.280 nan 0.000 0.498 158 M N -0.310 119.521 119.600 0.384 0.000 2.175 158 M HA -0.214 4.267 4.480 0.002 0.000 0.264 158 M C 2.034 178.253 176.300 -0.135 0.000 1.063 158 M CA 1.709 57.118 55.300 0.181 0.000 1.119 158 M CB -0.256 32.463 32.600 0.199 0.000 1.377 158 M HN 0.147 nan 8.290 nan 0.000 0.415 159 K N -0.446 119.883 120.400 -0.118 0.000 2.097 159 K HA -0.099 4.222 4.320 0.002 0.000 0.205 159 K C 2.260 178.763 176.600 -0.162 0.000 1.050 159 K CA 1.465 57.644 56.287 -0.179 0.000 0.938 159 K CB -0.232 32.219 32.500 -0.081 0.000 0.718 159 K HN 0.156 nan 8.250 nan 0.000 0.442 160 S N 0.455 116.067 115.700 -0.146 0.000 2.383 160 S HA -0.137 4.335 4.470 0.002 0.000 0.227 160 S C 1.727 176.087 174.600 -0.400 0.000 1.026 160 S CA 0.818 58.912 58.200 -0.177 0.000 0.981 160 S CB -0.260 62.735 63.200 -0.341 0.000 0.818 160 S HN 0.333 nan 8.310 nan 0.000 0.472 161 F N 2.934 122.500 119.950 -0.640 0.000 2.102 161 F HA 0.001 4.529 4.527 0.001 0.000 0.298 161 F C 2.566 178.050 175.800 -0.528 0.000 1.105 161 F CA 1.808 59.202 58.000 -1.009 0.000 1.239 161 F CB -0.401 38.239 39.000 -0.600 0.000 0.991 161 F HN 0.095 nan 8.300 nan 0.000 0.474 162 R N 0.648 121.077 120.500 -0.119 0.000 2.105 162 R HA -0.213 4.128 4.340 0.002 0.000 0.239 162 R C 2.101 178.276 176.300 -0.208 0.000 1.135 162 R CA 1.954 58.000 56.100 -0.089 0.000 0.967 162 R CB -0.584 29.541 30.300 -0.292 0.000 0.861 162 R HN 0.405 nan 8.270 nan 0.000 0.442 163 E N 0.761 120.811 120.200 -0.250 0.000 2.028 163 E HA -0.084 4.267 4.350 0.002 0.000 0.190 163 E C 1.493 177.937 176.600 -0.260 0.000 0.984 163 E CA 1.564 57.844 56.400 -0.200 0.000 0.800 163 E CB -0.347 29.272 29.700 -0.136 0.000 0.758 163 E HN 0.313 nan 8.360 nan 0.000 0.448 164 N N -0.470 117.977 118.700 -0.422 0.000 2.459 164 N HA -0.064 4.677 4.740 0.002 0.000 0.181 164 N C 0.423 175.670 175.510 -0.438 0.000 1.046 164 N CA 0.771 53.558 53.050 -0.437 0.000 0.904 164 N CB 0.126 38.212 38.487 -0.668 0.000 0.964 164 N HN 0.283 nan 8.380 nan 0.000 0.444 165 M N 0.206 119.474 119.600 -0.553 0.000 2.576 165 M HA 0.141 4.622 4.480 0.002 0.000 0.322 165 M C 1.576 177.745 176.300 -0.217 0.000 1.184 165 M CA 0.012 55.085 55.300 -0.379 0.000 0.967 165 M CB -0.437 31.708 32.600 -0.759 0.000 1.372 165 M HN -0.029 nan 8.290 nan 0.000 0.509 166 S N 1.351 116.923 115.700 -0.213 0.000 2.387 166 S HA -0.202 4.269 4.470 0.002 0.000 0.230 166 S C 1.420 175.942 174.600 -0.129 0.000 1.035 166 S CA 1.901 60.022 58.200 -0.132 0.000 1.014 166 S CB -0.509 62.620 63.200 -0.119 0.000 0.836 166 S HN 0.564 nan 8.310 nan 0.000 0.466 167 D N 1.301 121.562 120.400 -0.233 0.000 2.117 167 D HA -0.121 4.520 4.640 0.002 0.000 0.198 167 D C 1.603 177.759 176.300 -0.239 0.000 0.982 167 D CA 0.878 54.706 54.000 -0.287 0.000 0.828 167 D CB -0.932 39.595 40.800 -0.455 0.000 0.967 167 D HN 0.470 nan 8.370 nan 0.000 0.464 168 F N 0.822 120.732 119.950 -0.067 0.000 2.186 168 F HA 0.082 4.610 4.527 0.001 0.000 0.299 168 F C 2.561 178.351 175.800 -0.017 0.000 1.090 168 F CA 0.500 58.475 58.000 -0.041 0.000 1.307 168 F CB -0.680 38.280 39.000 -0.066 0.000 1.019 168 F HN -0.075 nan 8.300 nan 0.000 0.489 169 L N -0.697 120.607 121.223 0.134 0.000 2.141 169 L HA -0.136 4.205 4.340 0.002 0.000 0.209 169 L C 2.536 179.451 176.870 0.076 0.000 1.094 169 L CA 1.020 55.925 54.840 0.108 0.000 0.763 169 L CB -0.453 41.668 42.059 0.103 0.000 0.908 169 L HN 0.054 nan 8.230 nan 0.000 0.437 170 E N 0.070 120.292 120.200 0.037 0.000 2.072 170 E HA -0.137 4.214 4.350 0.002 0.000 0.190 170 E C 2.278 178.899 176.600 0.034 0.000 0.982 170 E CA 1.455 57.867 56.400 0.021 0.000 0.803 170 E CB 0.071 29.762 29.700 -0.014 0.000 0.755 170 E HN 0.453 nan 8.360 nan 0.000 0.453 171 S N -0.961 114.766 115.700 0.044 0.000 2.603 171 S HA 0.078 4.549 4.470 0.002 0.000 0.229 171 S C 1.477 176.129 174.600 0.087 0.000 0.972 171 S CA 0.863 59.099 58.200 0.060 0.000 0.935 171 S CB 0.027 63.270 63.200 0.072 0.000 0.769 171 S HN 0.316 nan 8.310 nan 0.000 0.536 172 G N 0.746 109.603 108.800 0.096 0.000 2.136 172 G HA2 -0.265 3.696 3.960 0.002 0.000 0.242 172 G HA3 -0.265 3.696 3.960 0.002 0.000 0.242 172 G C 0.396 175.372 174.900 0.128 0.000 0.989 172 G CA 0.362 45.524 45.100 0.103 0.000 0.682 172 G HN 0.631 nan 8.290 nan 0.000 0.522 173 L N 0.236 121.552 121.223 0.154 0.000 2.056 173 L HA 0.363 4.704 4.340 0.002 0.000 0.207 173 L C 1.543 178.487 176.870 0.124 0.000 1.078 173 L CA 1.483 56.415 54.840 0.153 0.000 0.749 173 L CB 0.015 42.192 42.059 0.196 0.000 0.901 173 L HN 0.389 nan 8.230 nan 0.000 0.433 174 I N 0.987 121.630 120.570 0.121 0.000 2.301 174 I HA 0.065 4.236 4.170 0.002 0.000 0.292 174 I C 0.908 177.072 176.117 0.079 0.000 1.046 174 I CA -0.425 60.930 61.300 0.092 0.000 1.282 174 I CB 1.086 39.151 38.000 0.108 0.000 1.409 174 I HN 0.184 nan 8.210 nan 0.000 0.484 175 I N 2.745 123.360 120.570 0.074 0.000 2.480 175 I HA 0.117 4.288 4.170 0.002 0.000 0.251 175 I C 0.368 176.512 176.117 0.044 0.000 1.124 175 I CA 0.540 61.895 61.300 0.091 0.000 1.444 175 I CB -0.619 37.465 38.000 0.140 0.000 1.098 175 I HN 0.634 nan 8.210 nan 0.000 0.428 176 D N -0.462 119.921 120.400 -0.029 0.000 2.609 176 D HA 0.483 5.124 4.640 0.002 0.000 0.239 176 D C -0.983 175.208 176.300 -0.182 0.000 1.229 176 D CA -0.627 53.322 54.000 -0.085 0.000 0.808 176 D CB 1.522 42.303 40.800 -0.032 0.000 1.448 176 D HN -0.108 nan 8.370 nan 0.000 0.433 177 I N 1.152 121.557 120.570 -0.274 0.000 2.354 177 I HA 0.284 4.455 4.170 0.002 0.000 0.286 177 I C -0.144 175.817 176.117 -0.260 0.000 1.007 177 I CA -0.495 60.574 61.300 -0.386 0.000 1.167 177 I CB 0.855 38.401 38.000 -0.758 0.000 1.320 177 I HN 0.637 nan 8.210 nan 0.000 0.458 178 E N 6.084 126.150 120.200 -0.222 0.000 2.167 178 E HA 0.374 4.725 4.350 0.002 0.000 0.284 178 E C -1.183 175.310 176.600 -0.178 0.000 1.016 178 E CA -0.482 55.819 56.400 -0.166 0.000 0.817 178 E CB 1.372 30.987 29.700 -0.140 0.000 1.080 178 E HN 0.358 nan 8.360 nan 0.000 0.397 179 V N 4.842 124.678 119.914 -0.131 0.000 2.364 179 V HA 0.317 4.438 4.120 0.002 0.000 0.272 179 V C 0.881 176.914 176.094 -0.102 0.000 1.036 179 V CA -0.374 61.868 62.300 -0.096 0.000 0.880 179 V CB 1.107 32.903 31.823 -0.044 0.000 0.991 179 V HN 0.820 nan 8.190 nan 0.000 0.460 180 G N 4.205 112.935 108.800 -0.117 0.000 2.380 180 G HA2 0.370 4.331 3.960 0.002 0.000 0.242 180 G HA3 0.370 4.331 3.960 0.002 0.000 0.242 180 G C 0.242 175.114 174.900 -0.047 0.000 1.298 180 G CA -0.168 44.876 45.100 -0.094 0.000 0.878 180 G HN 0.754 nan 8.290 nan 0.000 0.542 181 L N 1.917 123.049 121.223 -0.153 0.000 3.259 181 L HA 0.434 4.775 4.340 0.002 0.000 0.292 181 L C 1.061 177.723 176.870 -0.346 0.000 1.219 181 L CA 0.324 55.090 54.840 -0.122 0.000 1.035 181 L CB 0.201 42.196 42.059 -0.106 0.000 1.424 181 L HN 0.872 nan 8.230 nan 0.000 0.603 182 G N -0.693 107.566 108.800 -0.901 0.000 2.335 182 G HA2 0.196 4.157 3.960 0.002 0.000 0.291 182 G HA3 0.196 4.157 3.960 0.002 0.000 0.291 182 G C -3.167 171.202 174.900 -0.886 0.000 1.261 182 G CA -0.702 43.522 45.100 -1.460 0.000 0.871 182 G HN -0.338 nan 8.290 nan 0.000 0.491 183 P HA 0.362 nan 4.420 nan 0.000 0.264 183 P C 0.627 177.739 177.300 -0.315 0.000 1.183 183 P CA 1.912 64.886 63.100 -0.210 0.000 0.763 183 P CB 1.141 32.743 31.700 -0.163 0.000 0.807 184 A N 3.700 126.373 122.820 -0.245 0.000 2.816 184 A HA -0.105 4.216 4.320 0.002 0.000 0.270 184 A C 1.541 178.678 177.584 -0.745 0.000 1.413 184 A CA 1.368 53.242 52.037 -0.272 0.000 0.866 184 A CB -2.450 16.497 19.000 -0.088 0.000 1.032 184 A HN 1.051 nan 8.150 nan 0.000 0.642 185 G N -2.006 105.938 108.800 -1.426 0.000 2.166 185 G HA2 -0.269 3.692 3.960 0.002 0.000 0.260 185 G HA3 -0.269 3.692 3.960 0.002 0.000 0.260 185 G C -0.168 174.496 174.900 -0.393 0.000 0.986 185 G CA 1.076 45.665 45.100 -0.851 0.000 0.683 185 G HN 1.278 nan 8.290 nan 0.000 0.527 186 E N -0.817 119.181 120.200 -0.337 0.000 2.242 186 E HA 0.522 4.873 4.350 0.002 0.000 0.275 186 E C -0.036 176.464 176.600 -0.166 0.000 1.002 186 E CA -1.165 55.135 56.400 -0.167 0.000 0.841 186 E CB 1.668 31.325 29.700 -0.070 0.000 1.109 186 E HN 0.134 nan 8.360 nan 0.000 0.394 187 L N 4.385 125.580 121.223 -0.046 0.000 2.415 187 L HA 0.128 4.470 4.340 0.002 0.000 0.269 187 L C -0.243 176.588 176.870 -0.065 0.000 1.244 187 L CA 0.793 55.614 54.840 -0.032 0.000 1.113 187 L CB -1.222 40.869 42.059 0.053 0.000 1.352 187 L HN 0.569 nan 8.230 nan 0.000 0.433 188 R N 1.669 122.005 120.500 -0.273 0.000 2.764 188 R HA 0.375 4.716 4.340 0.002 0.000 0.276 188 R C -1.559 174.403 176.300 -0.563 0.000 1.021 188 R CA -0.991 54.847 56.100 -0.436 0.000 0.870 188 R CB 0.492 30.621 30.300 -0.286 0.000 1.293 188 R HN 0.071 nan 8.270 nan 0.000 0.469 189 Y N 0.542 120.561 120.300 -0.467 0.000 2.376 189 Y HA 0.391 4.942 4.550 0.002 0.000 0.325 189 Y C -1.698 173.955 175.900 -0.412 0.000 1.199 189 Y CA -2.304 55.433 58.100 -0.606 0.000 1.206 189 Y CB 1.388 39.583 38.460 -0.443 0.000 1.229 189 Y HN 0.388 nan 8.280 nan 0.000 0.480 190 P HA 0.023 nan 4.420 nan 0.000 0.230 190 P C 0.121 177.371 177.300 -0.083 0.000 1.791 190 P CA 0.125 63.109 63.100 -0.193 0.000 1.020 190 P CB -0.054 31.599 31.700 -0.079 0.000 1.977 191 S N 0.486 116.175 115.700 -0.018 0.000 2.522 191 S HA -0.099 4.373 4.470 0.002 0.000 0.227 191 S C 0.737 175.443 174.600 0.176 0.000 0.986 191 S CA 0.127 58.417 58.200 0.149 0.000 0.929 191 S CB -0.940 62.353 63.200 0.156 0.000 0.769 191 S HN 0.413 nan 8.310 nan 0.000 0.529 192 Y N 0.062 120.179 120.300 -0.304 0.000 2.473 192 Y HA 0.599 5.151 4.550 0.002 0.000 0.345 192 Y C -3.165 172.373 175.900 -0.604 0.000 0.932 192 Y CA -4.012 53.576 58.100 -0.852 0.000 1.124 192 Y CB -0.406 36.980 38.460 -1.790 0.000 1.162 192 Y HN 0.002 nan 8.280 nan 0.000 0.629 193 P HA 0.012 nan 4.420 nan 0.000 0.276 193 P C 0.395 177.634 177.300 -0.101 0.000 1.243 193 P CA 0.177 63.107 63.100 -0.283 0.000 0.768 193 P CB 2.085 33.628 31.700 -0.262 0.000 0.856 194 Q N 3.435 123.246 119.800 0.019 0.000 2.119 194 Q HA -0.134 4.208 4.340 0.002 0.000 0.201 194 Q C 1.707 177.715 176.000 0.012 0.000 0.972 194 Q CA 2.219 58.087 55.803 0.109 0.000 0.847 194 Q CB -0.204 28.598 28.738 0.106 0.000 0.903 194 Q HN 0.571 nan 8.270 nan 0.000 0.433 195 S N -0.184 115.497 115.700 -0.032 0.000 2.465 195 S HA -0.160 4.311 4.470 0.002 0.000 0.241 195 S C 1.307 175.876 174.600 -0.052 0.000 1.000 195 S CA 1.086 59.262 58.200 -0.041 0.000 0.964 195 S CB -0.091 63.080 63.200 -0.049 0.000 0.763 195 S HN 0.456 nan 8.310 nan 0.000 0.512 196 Q N 0.218 119.955 119.800 -0.105 0.000 2.198 196 Q HA 0.389 4.730 4.340 0.002 0.000 0.209 196 Q C 1.118 177.075 176.000 -0.073 0.000 0.848 196 Q CA 0.187 55.923 55.803 -0.112 0.000 0.974 196 Q CB 0.665 29.266 28.738 -0.229 0.000 1.115 196 Q HN 0.730 nan 8.270 nan 0.000 0.494 197 G N 0.824 109.607 108.800 -0.029 0.000 2.194 197 G HA2 -0.271 3.690 3.960 0.002 0.000 0.236 197 G HA3 -0.271 3.690 3.960 0.002 0.000 0.236 197 G C -0.238 174.696 174.900 0.056 0.000 0.987 197 G CA -0.187 44.925 45.100 0.021 0.000 0.635 197 G HN 0.471 nan 8.290 nan 0.000 0.520 198 W N 2.137 123.351 121.300 -0.144 0.000 2.231 198 W HA 0.528 5.188 4.660 0.001 0.000 0.341 198 W C 0.249 176.770 176.519 0.003 0.000 1.298 198 W CA 0.685 58.006 57.345 -0.041 0.000 1.266 198 W CB 0.419 29.843 29.460 -0.061 0.000 1.172 198 W HN 0.226 nan 8.180 nan 0.000 0.568 199 E N 5.759 125.307 120.200 -1.087 0.000 2.290 199 E HA 0.113 4.464 4.350 0.002 0.000 0.274 199 E C -1.346 174.289 176.600 -1.610 0.000 0.889 199 E CA -1.246 54.484 56.400 -1.117 0.000 0.760 199 E CB 1.526 30.936 29.700 -0.484 0.000 1.206 199 E HN 0.331 nan 8.360 nan 0.000 0.419 200 F N 5.479 124.407 119.950 -1.704 0.000 2.629 200 F HA 0.044 4.572 4.527 0.002 0.000 0.377 200 F C -1.527 173.870 175.800 -0.672 0.000 1.101 200 F CA -0.704 56.588 58.000 -1.180 0.000 1.301 200 F CB 0.738 39.286 39.000 -0.752 0.000 1.062 200 F HN 0.251 nan 8.300 nan 0.000 0.583 201 P HA 0.224 nan 4.420 nan 0.000 0.223 201 P C -0.133 177.016 177.300 -0.252 0.000 1.878 201 P CA -0.221 62.019 63.100 -1.434 0.000 1.038 201 P CB 0.126 30.765 31.700 -1.767 0.000 1.774 202 G N 1.500 110.194 108.800 -0.177 0.000 2.391 202 G HA2 0.047 4.009 3.960 0.002 0.000 0.234 202 G HA3 0.047 4.009 3.960 0.002 0.000 0.234 202 G C 1.248 176.622 174.900 0.789 0.000 1.284 202 G CA -0.533 44.745 45.100 0.296 0.000 0.873 202 G HN 0.390 nan 8.290 nan 0.000 0.549 203 I N 0.663 121.500 120.570 0.446 0.000 2.700 203 I HA 0.212 4.383 4.170 0.002 0.000 0.261 203 I C 1.309 177.523 176.117 0.163 0.000 1.219 203 I CA 0.593 61.984 61.300 0.151 0.000 1.463 203 I CB -0.968 36.795 38.000 -0.395 0.000 1.092 203 I HN 0.960 nan 8.210 nan 0.000 0.452 204 G N 1.240 110.268 108.800 0.381 0.000 2.760 204 G HA2 -0.188 3.773 3.960 0.002 0.000 0.246 204 G HA3 -0.188 3.773 3.960 0.002 0.000 0.246 204 G C -0.738 174.173 174.900 0.018 0.000 1.359 204 G CA -0.249 45.059 45.100 0.346 0.000 0.861 204 G HN 0.572 nan 8.290 nan 0.000 0.541 205 E N -1.230 118.949 120.200 -0.036 0.000 2.340 205 E HA 0.554 4.905 4.350 0.002 0.000 0.273 205 E C -0.732 175.791 176.600 -0.127 0.000 0.891 205 E CA -0.858 55.378 56.400 -0.273 0.000 0.757 205 E CB 1.494 30.826 29.700 -0.613 0.000 1.231 205 E HN 0.324 nan 8.360 nan 0.000 0.439 206 F N 1.508 121.429 119.950 -0.048 0.000 2.518 206 F HA 0.045 4.574 4.527 0.002 0.000 0.359 206 F C 1.229 177.098 175.800 0.115 0.000 1.118 206 F CA 0.183 58.133 58.000 -0.083 0.000 1.287 206 F CB 0.547 39.366 39.000 -0.303 0.000 1.132 206 F HN 0.199 nan 8.300 nan 0.000 0.587 207 Q N 2.664 122.654 119.800 0.315 0.000 2.462 207 Q HA 0.197 4.538 4.340 0.002 0.000 0.395 207 Q C -0.010 176.237 176.000 0.412 0.000 0.911 207 Q CA 0.027 56.048 55.803 0.364 0.000 1.112 207 Q CB 0.714 29.602 28.738 0.249 0.000 1.350 207 Q HN 0.800 nan 8.270 nan 0.000 0.407 208 C N -2.357 117.102 119.300 0.266 0.000 2.742 208 C HA 0.442 4.903 4.460 0.002 0.000 0.283 208 C C 0.720 175.671 174.990 -0.065 0.000 1.451 208 C CA -0.633 58.498 59.018 0.190 0.000 1.785 208 C CB -1.593 26.284 27.740 0.230 0.000 2.664 208 C HN 0.347 nan 8.230 nan 0.000 0.544 209 Y N 1.951 122.395 120.300 0.239 0.000 2.458 209 Y HA 0.184 4.735 4.550 0.002 0.000 0.256 209 Y C 0.987 176.996 175.900 0.182 0.000 1.159 209 Y CA -0.572 57.625 58.100 0.162 0.000 1.261 209 Y CB -0.385 38.131 38.460 0.094 0.000 1.119 209 Y HN 0.515 nan 8.280 nan 0.000 0.524 210 D N 0.117 120.720 120.400 0.338 0.000 2.368 210 D HA -0.003 4.638 4.640 0.002 0.000 0.240 210 D C 1.274 177.686 176.300 0.186 0.000 1.169 210 D CA -0.404 53.761 54.000 0.275 0.000 0.906 210 D CB 0.840 41.828 40.800 0.314 0.000 1.187 210 D HN 0.279 nan 8.370 nan 0.000 0.435 211 K N 0.447 120.876 120.400 0.048 0.000 2.152 211 K HA -0.287 4.034 4.320 0.002 0.000 0.206 211 K C 1.267 177.798 176.600 -0.115 0.000 1.048 211 K CA 1.140 57.373 56.287 -0.090 0.000 0.933 211 K CB -0.539 31.810 32.500 -0.253 0.000 0.721 211 K HN 0.537 nan 8.250 nan 0.000 0.447 212 Y N 1.680 122.051 120.300 0.119 0.000 2.133 212 Y HA -0.076 4.475 4.550 0.002 0.000 0.287 212 Y C 2.324 178.344 175.900 0.201 0.000 1.134 212 Y CA 1.117 59.292 58.100 0.124 0.000 1.133 212 Y CB -0.423 38.089 38.460 0.085 0.000 0.987 212 Y HN -0.093 nan 8.280 nan 0.000 0.502 213 L N 0.011 121.477 121.223 0.405 0.000 2.141 213 L HA -0.208 4.133 4.340 0.002 0.000 0.209 213 L C 2.464 179.604 176.870 0.450 0.000 1.094 213 L CA 1.397 56.537 54.840 0.499 0.000 0.763 213 L CB -0.446 41.926 42.059 0.521 0.000 0.908 213 L HN 0.200 nan 8.230 nan 0.000 0.437 214 K N 0.497 121.055 120.400 0.264 0.000 2.057 214 K HA -0.158 4.163 4.320 0.002 0.000 0.206 214 K C 2.125 178.828 176.600 0.172 0.000 1.050 214 K CA 1.283 57.670 56.287 0.167 0.000 0.935 214 K CB -0.021 32.546 32.500 0.111 0.000 0.715 214 K HN 0.255 nan 8.250 nan 0.000 0.439 215 A N 1.226 124.140 122.820 0.157 0.000 1.929 215 A HA -0.172 4.149 4.320 0.002 0.000 0.216 215 A C 1.922 179.610 177.584 0.172 0.000 1.176 215 A CA 1.668 53.780 52.037 0.124 0.000 0.628 215 A CB -0.554 18.500 19.000 0.090 0.000 0.816 215 A HN 0.480 nan 8.150 nan 0.000 0.444 216 D N -0.783 119.789 120.400 0.286 0.000 2.092 216 D HA -0.190 4.451 4.640 0.002 0.000 0.193 216 D C 1.731 178.233 176.300 0.337 0.000 0.994 216 D CA 1.497 55.730 54.000 0.390 0.000 0.828 216 D CB -0.300 40.858 40.800 0.597 0.000 0.963 216 D HN 0.340 nan 8.370 nan 0.000 0.450 217 F N 1.778 121.732 119.950 0.007 0.000 2.134 217 F HA -0.097 4.431 4.527 0.002 0.000 0.299 217 F C 2.399 178.070 175.800 -0.216 0.000 1.097 217 F CA 1.604 59.266 58.000 -0.564 0.000 1.264 217 F CB -0.291 38.139 39.000 -0.951 0.000 1.001 217 F HN -0.125 nan 8.300 nan 0.000 0.479 218 K N 0.226 120.563 120.400 -0.104 0.000 2.057 218 K HA -0.163 4.158 4.320 0.002 0.000 0.207 218 K C 2.170 178.682 176.600 -0.147 0.000 1.049 218 K CA 1.295 57.496 56.287 -0.144 0.000 0.931 218 K CB -0.420 32.073 32.500 -0.013 0.000 0.714 218 K HN 0.314 nan 8.250 nan 0.000 0.440 219 A N 0.724 123.514 122.820 -0.049 0.000 1.969 219 A HA -0.010 4.311 4.320 0.002 0.000 0.218 219 A C 2.225 179.796 177.584 -0.021 0.000 1.169 219 A CA 1.553 53.582 52.037 -0.013 0.000 0.635 219 A CB -0.521 18.514 19.000 0.058 0.000 0.810 219 A HN 0.476 nan 8.150 nan 0.000 0.445 220 A N 0.026 122.829 122.820 -0.029 0.000 1.872 220 A HA 0.044 4.365 4.320 0.002 0.000 0.214 220 A C 2.277 179.848 177.584 -0.022 0.000 1.187 220 A CA 1.881 53.963 52.037 0.076 0.000 0.614 220 A CB -1.158 17.946 19.000 0.173 0.000 0.826 220 A HN 1.065 nan 8.150 nan 0.000 0.442 221 V N -2.306 117.402 119.914 -0.342 0.000 2.515 221 V HA -0.011 4.110 4.120 0.002 0.000 0.250 221 V C 2.479 178.352 176.094 -0.369 0.000 1.058 221 V CA 1.662 63.668 62.300 -0.490 0.000 1.064 221 V CB -1.460 30.023 31.823 -0.567 0.000 0.675 221 V HN 0.479 nan 8.190 nan 0.000 0.461 222 A N 0.719 123.387 122.820 -0.254 0.000 1.902 222 A HA -0.143 4.179 4.320 0.002 0.000 0.217 222 A C 2.449 179.927 177.584 -0.175 0.000 1.181 222 A CA 1.869 53.785 52.037 -0.203 0.000 0.623 222 A CB -0.604 18.317 19.000 -0.133 0.000 0.818 222 A HN 0.533 nan 8.150 nan 0.000 0.443 223 R N -0.648 119.789 120.500 -0.105 0.000 2.120 223 R HA -0.082 4.259 4.340 0.002 0.000 0.234 223 R C 2.129 178.377 176.300 -0.086 0.000 1.123 223 R CA 1.112 57.180 56.100 -0.054 0.000 0.975 223 R CB -0.376 29.944 30.300 0.034 0.000 0.866 223 R HN 0.498 nan 8.270 nan 0.000 0.446 224 A N 0.076 122.808 122.820 -0.146 0.000 2.235 224 A HA 0.148 4.469 4.320 0.002 0.000 0.208 224 A C 1.308 178.667 177.584 -0.375 0.000 1.172 224 A CA 0.804 52.723 52.037 -0.197 0.000 0.786 224 A CB -0.187 18.585 19.000 -0.380 0.000 0.804 224 A HN 0.462 nan 8.150 nan 0.000 0.479 225 G N -1.026 107.530 108.800 -0.407 0.000 2.176 225 G HA2 -0.225 3.736 3.960 0.002 0.000 0.252 225 G HA3 -0.225 3.736 3.960 0.002 0.000 0.252 225 G C -0.026 174.349 174.900 -0.874 0.000 1.024 225 G CA 0.403 45.183 45.100 -0.532 0.000 0.755 225 G HN 0.692 nan 8.290 nan 0.000 0.507 226 H N -0.469 118.200 119.070 -0.667 0.000 2.379 226 H HA 0.207 4.764 4.556 0.002 0.000 0.229 226 H C -1.665 173.271 175.328 -0.653 0.000 1.423 226 H CA -0.783 54.703 56.048 -0.937 0.000 1.375 226 H CB 1.442 29.975 29.762 -2.048 0.000 1.592 226 H HN 0.268 nan 8.280 nan 0.000 0.507 227 P HA -0.147 nan 4.420 nan 0.000 0.225 227 P C 1.258 178.487 177.300 -0.119 0.000 1.148 227 P CA 0.937 63.916 63.100 -0.201 0.000 0.779 227 P CB 0.430 32.032 31.700 -0.163 0.000 0.780 228 E N -1.321 118.803 120.200 -0.127 0.000 2.482 228 E HA -0.113 4.238 4.350 0.002 0.000 0.196 228 E C -0.041 176.658 176.600 0.165 0.000 1.047 228 E CA 0.155 56.553 56.400 -0.002 0.000 0.869 228 E CB -0.570 29.130 29.700 0.001 0.000 0.836 228 E HN 0.196 nan 8.360 nan 0.000 0.520 229 W N 2.669 123.936 121.300 -0.056 0.000 2.345 229 W HA 0.320 4.981 4.660 0.002 0.000 0.308 229 W C 0.574 177.141 176.519 0.079 0.000 1.273 229 W CA -0.897 56.431 57.345 -0.029 0.000 1.243 229 W CB 0.411 29.807 29.460 -0.107 0.000 1.260 229 W HN -0.104 nan 8.180 nan 0.000 0.509 230 E N 1.975 122.359 120.200 0.305 0.000 2.243 230 E HA 0.421 4.773 4.350 0.002 0.000 0.260 230 E C 0.056 176.691 176.600 0.059 0.000 0.985 230 E CA -1.236 55.305 56.400 0.235 0.000 0.858 230 E CB 1.729 31.483 29.700 0.089 0.000 1.210 230 E HN 0.232 nan 8.360 nan 0.000 0.411 231 L N 1.700 122.789 121.223 -0.225 0.000 2.482 231 L HA 0.085 4.426 4.340 0.002 0.000 0.273 231 L C -1.920 174.594 176.870 -0.593 0.000 1.228 231 L CA -1.384 52.978 54.840 -0.798 0.000 0.827 231 L CB -0.362 41.197 42.059 -0.832 0.000 1.099 231 L HN 0.154 nan 8.230 nan 0.000 0.494 232 P HA -0.087 nan 4.420 nan 0.000 0.261 232 P C -0.687 176.437 177.300 -0.292 0.000 1.173 232 P CA 0.450 63.118 63.100 -0.719 0.000 0.760 232 P CB 0.296 31.236 31.700 -1.267 0.000 0.783 233 D N 1.193 121.477 120.400 -0.195 0.000 2.540 233 D HA 0.011 4.652 4.640 0.002 0.000 0.229 233 D C -0.098 176.151 176.300 -0.086 0.000 1.250 233 D CA -0.044 53.887 54.000 -0.115 0.000 0.817 233 D CB -0.162 40.592 40.800 -0.077 0.000 1.060 233 D HN 0.298 nan 8.370 nan 0.000 0.508 234 D N -0.497 119.857 120.400 -0.076 0.000 2.692 234 D HA 0.227 4.868 4.640 0.002 0.000 0.290 234 D C 0.928 177.238 176.300 0.016 0.000 1.455 234 D CA -0.314 53.675 54.000 -0.019 0.000 0.796 234 D CB -0.074 40.733 40.800 0.011 0.000 1.131 234 D HN 0.094 nan 8.370 nan 0.000 0.467 235 A N 0.343 123.135 122.820 -0.046 0.000 2.251 235 A HA 0.595 4.916 4.320 0.002 0.000 0.209 235 A C 1.556 179.168 177.584 0.046 0.000 1.187 235 A CA 0.704 52.739 52.037 -0.003 0.000 0.823 235 A CB -0.519 18.436 19.000 -0.076 0.000 0.846 235 A HN 0.717 nan 8.150 nan 0.000 0.486 236 G N -0.460 108.333 108.800 -0.012 0.000 2.525 236 G HA2 -0.229 3.733 3.960 0.002 0.000 0.248 236 G HA3 -0.229 3.733 3.960 0.002 0.000 0.248 236 G C -0.190 174.658 174.900 -0.088 0.000 1.238 236 G CA 0.315 45.399 45.100 -0.027 0.000 0.926 236 G HN 0.648 nan 8.290 nan 0.000 0.574 237 K N -1.467 118.887 120.400 -0.077 0.000 2.433 237 K HA 0.616 4.937 4.320 0.002 0.000 0.252 237 K C 0.880 177.448 176.600 -0.053 0.000 1.015 237 K CA -0.843 55.361 56.287 -0.139 0.000 0.860 237 K CB 1.273 33.737 32.500 -0.060 0.000 1.359 237 K HN 0.377 nan 8.250 nan 0.000 0.452 238 Y N 0.766 121.139 120.300 0.123 0.000 2.096 238 Y HA -0.321 4.231 4.550 0.002 0.000 0.276 238 Y C 1.212 177.280 175.900 0.280 0.000 1.209 238 Y CA 2.012 60.271 58.100 0.265 0.000 1.137 238 Y CB -0.566 38.099 38.460 0.341 0.000 0.956 238 Y HN 0.592 nan 8.280 nan 0.000 0.506 239 N N -0.302 118.562 118.700 0.274 0.000 2.268 239 N HA -0.003 4.738 4.740 0.002 0.000 0.204 239 N C -0.394 175.155 175.510 0.065 0.000 1.124 239 N CA -0.291 52.822 53.050 0.104 0.000 0.838 239 N CB 0.174 38.668 38.487 0.011 0.000 0.994 239 N HN 0.236 nan 8.380 nan 0.000 0.489 240 D N 0.891 121.328 120.400 0.062 0.000 2.398 240 D HA 0.105 4.746 4.640 0.002 0.000 0.247 240 D C 0.345 176.635 176.300 -0.018 0.000 1.227 240 D CA -0.040 53.967 54.000 0.012 0.000 0.980 240 D CB 1.445 42.239 40.800 -0.009 0.000 1.106 240 D HN -0.145 nan 8.370 nan 0.000 0.493 241 V N -1.557 118.311 119.914 -0.076 0.000 2.630 241 V HA 0.326 4.447 4.120 0.002 0.000 0.305 241 V C -1.692 174.179 176.094 -0.371 0.000 1.046 241 V CA -1.491 60.669 62.300 -0.233 0.000 0.934 241 V CB 1.574 33.357 31.823 -0.067 0.000 1.003 241 V HN 0.352 nan 8.190 nan 0.000 0.451 242 P HA -0.226 nan 4.420 nan 0.000 0.216 242 P C 1.216 178.429 177.300 -0.145 0.000 1.154 242 P CA 1.738 64.576 63.100 -0.438 0.000 0.865 242 P CB 0.449 31.755 31.700 -0.656 0.000 0.789 243 E N 0.237 120.344 120.200 -0.155 0.000 2.338 243 E HA -0.078 4.273 4.350 0.002 0.000 0.197 243 E C 1.804 178.392 176.600 -0.020 0.000 1.007 243 E CA 0.919 57.289 56.400 -0.050 0.000 0.849 243 E CB -0.724 28.955 29.700 -0.036 0.000 0.774 243 E HN 0.313 nan 8.360 nan 0.000 0.506 244 S N -1.327 114.354 115.700 -0.033 0.000 2.631 244 S HA 0.052 4.523 4.470 0.002 0.000 0.217 244 S C 0.648 175.255 174.600 0.011 0.000 0.958 244 S CA 0.114 58.309 58.200 -0.009 0.000 0.920 244 S CB -0.336 62.856 63.200 -0.014 0.000 0.776 244 S HN 0.146 nan 8.310 nan 0.000 0.517 245 T N -3.359 111.217 114.554 0.036 0.000 2.908 245 T HA 0.705 5.056 4.350 0.002 0.000 0.290 245 T C 1.156 175.902 174.700 0.077 0.000 1.034 245 T CA -0.238 61.906 62.100 0.073 0.000 1.010 245 T CB 1.372 70.333 68.868 0.154 0.000 1.068 245 T HN 0.036 nan 8.240 nan 0.000 0.481 246 G N 0.123 108.960 108.800 0.061 0.000 2.448 246 G HA2 -0.013 3.948 3.960 0.002 0.000 0.218 246 G HA3 -0.013 3.948 3.960 0.002 0.000 0.218 246 G C 0.949 175.869 174.900 0.033 0.000 1.135 246 G CA 0.059 45.181 45.100 0.036 0.000 0.784 246 G HN 0.683 nan 8.290 nan 0.000 0.543 247 F N 0.322 120.201 119.950 -0.118 0.000 2.128 247 F HA 0.207 4.736 4.527 0.002 0.000 0.295 247 F C 1.757 177.413 175.800 -0.241 0.000 1.100 247 F CA 0.950 58.795 58.000 -0.258 0.000 1.260 247 F CB 0.174 38.882 39.000 -0.486 0.000 1.009 247 F HN 0.098 nan 8.300 nan 0.000 0.476 248 F N 0.795 120.846 119.950 0.170 0.000 2.749 248 F HA 0.155 4.683 4.527 0.002 0.000 0.300 248 F C 1.036 176.802 175.800 -0.056 0.000 1.103 248 F CA -0.312 57.649 58.000 -0.065 0.000 1.342 248 F CB -0.751 38.158 39.000 -0.153 0.000 1.098 248 F HN -0.187 nan 8.300 nan 0.000 0.586 249 K N -0.089 120.406 120.400 0.158 0.000 2.120 249 K HA 0.253 4.574 4.320 0.002 0.000 0.245 249 K C 0.643 177.340 176.600 0.162 0.000 1.024 249 K CA -0.509 55.843 56.287 0.108 0.000 0.906 249 K CB 0.549 33.084 32.500 0.057 0.000 1.051 249 K HN -0.088 nan 8.250 nan 0.000 0.491 250 S N 1.497 117.262 115.700 0.109 0.000 2.563 250 S HA -0.066 4.405 4.470 0.002 0.000 0.294 250 S C -0.079 174.546 174.600 0.041 0.000 1.279 250 S CA 0.187 58.446 58.200 0.097 0.000 1.069 250 S CB -0.788 62.445 63.200 0.055 0.000 0.828 250 S HN 0.831 nan 8.310 nan 0.000 0.497 251 N N 1.814 120.507 118.700 -0.011 0.000 2.725 251 N HA -0.135 4.606 4.740 0.002 0.000 0.249 251 N C 0.250 175.692 175.510 -0.113 0.000 1.103 251 N CA 1.100 54.091 53.050 -0.097 0.000 0.707 251 N CB -1.771 36.680 38.487 -0.061 0.000 1.043 251 N HN 0.746 nan 8.380 nan 0.000 0.553 252 G N -0.580 108.168 108.800 -0.086 0.000 2.563 252 G HA2 0.306 4.268 3.960 0.002 0.000 0.283 252 G HA3 0.306 4.268 3.960 0.002 0.000 0.283 252 G C 1.112 175.849 174.900 -0.272 0.000 1.309 252 G CA 0.412 45.457 45.100 -0.092 0.000 1.022 252 G HN 0.110 nan 8.290 nan 0.000 0.501 253 T N -0.181 114.178 114.554 -0.326 0.000 2.778 253 T HA -0.256 4.095 4.350 0.002 0.000 0.269 253 T C 1.994 176.253 174.700 -0.735 0.000 1.050 253 T CA 2.244 64.066 62.100 -0.463 0.000 1.137 253 T CB -0.485 68.175 68.868 -0.348 0.000 0.860 253 T HN 0.643 nan 8.240 nan 0.000 0.468 254 Y N 2.002 121.561 120.300 -1.235 0.000 2.556 254 Y HA 0.024 4.575 4.550 0.002 0.000 0.290 254 Y C 1.939 177.623 175.900 -0.360 0.000 1.149 254 Y CA 0.272 57.766 58.100 -1.009 0.000 1.329 254 Y CB -0.944 36.996 38.460 -0.866 0.000 0.975 254 Y HN 0.199 nan 8.280 nan 0.000 0.561 255 V N -1.966 117.440 119.914 -0.846 0.000 3.660 255 V HA 0.179 4.301 4.120 0.002 0.000 0.276 255 V C 0.957 176.860 176.094 -0.318 0.000 1.317 255 V CA 0.172 62.108 62.300 -0.606 0.000 1.097 255 V CB -1.171 30.257 31.823 -0.659 0.000 0.863 255 V HN 0.476 nan 8.190 nan 0.000 0.438 256 T N -2.498 111.872 114.554 -0.306 0.000 2.828 256 T HA 0.225 4.576 4.350 0.002 0.000 0.290 256 T C 0.993 175.594 174.700 -0.165 0.000 1.019 256 T CA 0.492 62.467 62.100 -0.209 0.000 1.031 256 T CB 1.558 70.292 68.868 -0.222 0.000 1.001 256 T HN 0.426 nan 8.240 nan 0.000 0.531 257 E N 0.395 120.530 120.200 -0.108 0.000 2.085 257 E HA -0.227 4.124 4.350 0.002 0.000 0.194 257 E C 2.061 178.515 176.600 -0.244 0.000 0.994 257 E CA 1.381 57.754 56.400 -0.044 0.000 0.801 257 E CB -0.085 29.663 29.700 0.080 0.000 0.743 257 E HN 0.774 nan 8.360 nan 0.000 0.453 258 K N -0.258 119.795 120.400 -0.578 0.000 2.026 258 K HA -0.127 4.194 4.320 0.002 0.000 0.208 258 K C 2.152 178.434 176.600 -0.530 0.000 1.048 258 K CA 1.517 57.054 56.287 -1.251 0.000 0.929 258 K CB -0.423 31.328 32.500 -1.248 0.000 0.713 258 K HN 0.179 nan 8.250 nan 0.000 0.439 259 G N 1.474 110.089 108.800 -0.308 0.000 2.446 259 G HA2 -0.259 3.702 3.960 0.002 0.000 0.217 259 G HA3 -0.259 3.702 3.960 0.002 0.000 0.217 259 G C 1.349 176.273 174.900 0.040 0.000 1.168 259 G CA 0.919 45.950 45.100 -0.115 0.000 0.771 259 G HN 0.322 nan 8.290 nan 0.000 0.551 260 K N -0.617 119.793 120.400 0.016 0.000 2.097 260 K HA -0.037 4.285 4.320 0.002 0.000 0.206 260 K C 2.167 178.880 176.600 0.188 0.000 1.049 260 K CA 0.992 57.373 56.287 0.156 0.000 0.933 260 K CB -0.281 32.317 32.500 0.163 0.000 0.717 260 K HN 0.360 nan 8.250 nan 0.000 0.442 261 F N 1.145 121.113 119.950 0.030 0.000 2.102 261 F HA -0.226 4.302 4.527 0.002 0.000 0.298 261 F C 2.093 178.031 175.800 0.229 0.000 1.105 261 F CA 1.253 59.332 58.000 0.131 0.000 1.239 261 F CB -0.340 38.711 39.000 0.086 0.000 0.991 261 F HN -0.035 nan 8.300 nan 0.000 0.474 262 F N 0.905 120.995 119.950 0.235 0.000 2.069 262 F HA -0.219 4.309 4.527 0.002 0.000 0.298 262 F C 1.901 177.749 175.800 0.079 0.000 1.113 262 F CA 1.922 60.029 58.000 0.179 0.000 1.214 262 F CB -0.881 38.029 39.000 -0.149 0.000 0.978 262 F HN -0.032 nan 8.300 nan 0.000 0.474 263 L N -0.197 120.822 121.223 -0.340 0.000 2.042 263 L HA -0.262 4.079 4.340 0.002 0.000 0.210 263 L C 2.374 179.010 176.870 -0.390 0.000 1.076 263 L CA 1.922 56.387 54.840 -0.625 0.000 0.749 263 L CB -1.260 40.194 42.059 -1.010 0.000 0.893 263 L HN 0.224 nan 8.230 nan 0.000 0.432 264 T N -1.495 112.999 114.554 -0.101 0.000 2.737 264 T HA -0.240 4.111 4.350 0.002 0.000 0.265 264 T C 1.328 176.012 174.700 -0.026 0.000 1.038 264 T CA 1.496 63.644 62.100 0.079 0.000 1.144 264 T CB -0.389 68.521 68.868 0.070 0.000 0.866 264 T HN 0.528 nan 8.240 nan 0.000 0.434 265 W N 0.914 122.042 121.300 -0.287 0.000 2.355 265 W HA -0.214 4.447 4.660 0.002 0.000 0.309 265 W C 2.100 178.545 176.519 -0.123 0.000 1.206 265 W CA 0.941 58.170 57.345 -0.194 0.000 1.284 265 W CB -0.700 28.703 29.460 -0.095 0.000 1.145 265 W HN 0.246 nan 8.180 nan 0.000 0.502 266 Y N 1.967 122.030 120.300 -0.395 0.000 2.128 266 Y HA -0.303 4.248 4.550 0.002 0.000 0.284 266 Y C 2.942 178.643 175.900 -0.331 0.000 1.154 266 Y CA 3.004 60.719 58.100 -0.641 0.000 1.149 266 Y CB -1.024 36.845 38.460 -0.986 0.000 0.976 266 Y HN 0.092 nan 8.280 nan 0.000 0.505 267 S N -0.808 114.791 115.700 -0.169 0.000 2.387 267 S HA -0.177 4.294 4.470 0.002 0.000 0.226 267 S C 1.768 176.288 174.600 -0.132 0.000 1.026 267 S CA 1.248 59.383 58.200 -0.108 0.000 0.972 267 S CB -0.941 62.300 63.200 0.068 0.000 0.814 267 S HN 0.630 nan 8.310 nan 0.000 0.477 268 N N 1.522 120.134 118.700 -0.146 0.000 2.223 268 N HA -0.068 4.673 4.740 0.002 0.000 0.185 268 N C 1.562 176.963 175.510 -0.182 0.000 1.016 268 N CA 0.988 53.960 53.050 -0.130 0.000 0.863 268 N CB -0.064 38.356 38.487 -0.111 0.000 0.983 268 N HN 0.274 nan 8.380 nan 0.000 0.429 269 K N 1.248 121.454 120.400 -0.323 0.000 2.063 269 K HA -0.115 4.206 4.320 0.002 0.000 0.208 269 K C 1.991 178.478 176.600 -0.189 0.000 1.048 269 K CA 0.865 56.970 56.287 -0.304 0.000 0.928 269 K CB -0.553 31.685 32.500 -0.438 0.000 0.713 269 K HN 0.323 nan 8.250 nan 0.000 0.442 270 L N 0.382 121.467 121.223 -0.231 0.000 2.056 270 L HA -0.127 4.214 4.340 0.002 0.000 0.207 270 L C 2.515 179.370 176.870 -0.025 0.000 1.078 270 L CA 0.790 55.530 54.840 -0.167 0.000 0.749 270 L CB -0.511 41.397 42.059 -0.251 0.000 0.901 270 L HN 0.082 nan 8.230 nan 0.000 0.433 271 L N -0.105 121.098 121.223 -0.034 0.000 2.012 271 L HA -0.231 4.110 4.340 0.002 0.000 0.210 271 L C 2.427 179.302 176.870 0.010 0.000 1.073 271 L CA 1.281 56.120 54.840 -0.002 0.000 0.748 271 L CB -0.582 41.474 42.059 -0.005 0.000 0.891 271 L HN 0.381 nan 8.230 nan 0.000 0.431 272 N N -1.174 117.528 118.700 0.004 0.000 2.270 272 N HA -0.202 4.539 4.740 0.002 0.000 0.181 272 N C 1.797 177.334 175.510 0.044 0.000 1.016 272 N CA 1.067 54.130 53.050 0.020 0.000 0.870 272 N CB -0.333 38.160 38.487 0.010 0.000 0.979 272 N HN 0.412 nan 8.380 nan 0.000 0.431 273 H N 0.493 119.528 119.070 -0.058 0.000 2.319 273 H HA -0.036 4.521 4.556 0.002 0.000 0.299 273 H C 2.022 177.328 175.328 -0.038 0.000 1.092 273 H CA 2.210 58.231 56.048 -0.045 0.000 1.302 273 H CB -0.594 29.123 29.762 -0.075 0.000 1.373 273 H HN 0.196 nan 8.280 nan 0.000 0.497 274 G N -0.713 108.031 108.800 -0.092 0.000 2.403 274 G HA2 -0.258 3.703 3.960 0.002 0.000 0.216 274 G HA3 -0.258 3.703 3.960 0.002 0.000 0.216 274 G C 1.556 176.359 174.900 -0.162 0.000 1.154 274 G CA 0.856 45.852 45.100 -0.172 0.000 0.784 274 G HN 0.510 nan 8.290 nan 0.000 0.538 275 D N 0.203 120.571 120.400 -0.054 0.000 2.117 275 D HA -0.081 4.560 4.640 0.002 0.000 0.197 275 D C 2.585 178.888 176.300 0.005 0.000 0.987 275 D CA 1.054 55.078 54.000 0.041 0.000 0.829 275 D CB -0.126 40.736 40.800 0.103 0.000 0.961 275 D HN 0.384 nan 8.370 nan 0.000 0.460 276 Q N -0.512 119.274 119.800 -0.023 0.000 2.079 276 Q HA -0.039 4.302 4.340 0.002 0.000 0.200 276 Q C 2.395 178.359 176.000 -0.060 0.000 0.974 276 Q CA 0.940 56.733 55.803 -0.017 0.000 0.840 276 Q CB 0.061 28.796 28.738 -0.005 0.000 0.898 276 Q HN 0.419 nan 8.270 nan 0.000 0.430 277 I N 0.228 120.716 120.570 -0.137 0.000 2.439 277 I HA -0.224 3.947 4.170 0.002 0.000 0.251 277 I C 1.930 177.962 176.117 -0.142 0.000 1.139 277 I CA 0.779 61.998 61.300 -0.134 0.000 1.438 277 I CB -0.076 37.788 38.000 -0.227 0.000 1.085 277 I HN 0.208 nan 8.210 nan 0.000 0.427 278 L N 0.280 121.339 121.223 -0.274 0.000 2.275 278 L HA -0.182 4.159 4.340 0.002 0.000 0.215 278 L C 1.985 178.704 176.870 -0.251 0.000 1.119 278 L CA 0.889 55.472 54.840 -0.428 0.000 0.790 278 L CB -0.539 40.893 42.059 -1.045 0.000 0.919 278 L HN 0.266 nan 8.230 nan 0.000 0.443 279 D N 0.039 120.398 120.400 -0.068 0.000 2.149 279 D HA -0.175 4.466 4.640 0.002 0.000 0.198 279 D C 2.071 178.414 176.300 0.071 0.000 0.990 279 D CA 1.076 55.150 54.000 0.124 0.000 0.839 279 D CB 0.121 40.986 40.800 0.110 0.000 0.948 279 D HN 0.303 nan 8.370 nan 0.000 0.460 280 E N 0.513 120.730 120.200 0.028 0.000 2.152 280 E HA -0.023 4.328 4.350 0.002 0.000 0.192 280 E C 2.060 178.692 176.600 0.052 0.000 0.983 280 E CA 0.461 56.880 56.400 0.032 0.000 0.818 280 E CB -0.194 29.519 29.700 0.021 0.000 0.758 280 E HN 0.196 nan 8.360 nan 0.000 0.467 281 A N 1.925 124.796 122.820 0.085 0.000 1.898 281 A HA -0.156 4.165 4.320 0.002 0.000 0.216 281 A C 2.008 179.741 177.584 0.250 0.000 1.181 281 A CA 1.204 53.368 52.037 0.212 0.000 0.620 281 A CB -0.438 18.677 19.000 0.191 0.000 0.819 281 A HN 0.145 nan 8.150 nan 0.000 0.442 282 N N -0.058 118.752 118.700 0.184 0.000 2.166 282 N HA -0.133 4.608 4.740 0.002 0.000 0.186 282 N C 1.666 177.262 175.510 0.143 0.000 1.019 282 N CA 1.472 54.645 53.050 0.205 0.000 0.856 282 N CB -0.197 38.431 38.487 0.235 0.000 0.993 282 N HN 0.557 nan 8.380 nan 0.000 0.426 283 K N 0.881 121.334 120.400 0.089 0.000 2.031 283 K HA 0.038 4.359 4.320 0.002 0.000 0.205 283 K C 2.174 178.759 176.600 -0.026 0.000 1.049 283 K CA 1.061 57.370 56.287 0.037 0.000 0.939 283 K CB -0.084 32.431 32.500 0.024 0.000 0.717 283 K HN 0.074 nan 8.250 nan 0.000 0.438 284 A N 0.738 123.498 122.820 -0.099 0.000 1.902 284 A HA -0.108 4.214 4.320 0.002 0.000 0.217 284 A C 1.405 178.702 177.584 -0.477 0.000 1.181 284 A CA 1.310 53.142 52.037 -0.342 0.000 0.623 284 A CB -0.427 18.251 19.000 -0.538 0.000 0.818 284 A HN 0.240 nan 8.150 nan 0.000 0.443 285 F N -0.786 119.197 119.950 0.054 0.000 2.639 285 F HA 0.327 4.855 4.527 0.001 0.000 0.300 285 F C 0.398 176.226 175.800 0.047 0.000 1.109 285 F CA -1.250 56.781 58.000 0.053 0.000 1.335 285 F CB -0.279 38.757 39.000 0.059 0.000 1.014 285 F HN 0.116 nan 8.300 nan 0.000 0.537 286 L N 1.106 122.408 121.223 0.132 0.000 2.578 286 L HA 0.307 4.648 4.340 0.002 0.000 0.279 286 L C 1.251 178.172 176.870 0.086 0.000 1.227 286 L CA 1.051 55.951 54.840 0.100 0.000 0.900 286 L CB 0.014 42.107 42.059 0.057 0.000 1.144 286 L HN 0.509 nan 8.230 nan 0.000 0.496 287 G N 2.368 111.213 108.800 0.075 0.000 2.267 287 G HA2 -0.305 3.656 3.960 0.002 0.000 0.257 287 G HA3 -0.305 3.656 3.960 0.002 0.000 0.257 287 G C 0.607 175.549 174.900 0.070 0.000 0.998 287 G CA 0.127 45.261 45.100 0.056 0.000 0.620 287 G HN 0.893 nan 8.290 nan 0.000 0.529 288 C N 1.603 120.971 119.300 0.113 0.000 2.662 288 C HA 0.406 4.867 4.460 0.002 0.000 0.420 288 C C 1.429 176.471 174.990 0.088 0.000 1.314 288 C CA -0.039 59.052 59.018 0.121 0.000 1.963 288 C CB 0.692 28.558 27.740 0.210 0.000 2.686 288 C HN 0.444 nan 8.230 nan 0.000 0.609 289 K N 2.175 122.617 120.400 0.071 0.000 3.006 289 K HA 0.278 4.599 4.320 0.002 0.000 0.265 289 K C 0.085 176.722 176.600 0.063 0.000 1.279 289 K CA 0.004 56.326 56.287 0.059 0.000 1.229 289 K CB -0.314 32.217 32.500 0.052 0.000 1.555 289 K HN 0.659 nan 8.250 nan 0.000 0.300 290 V N -2.938 117.006 119.914 0.051 0.000 3.155 290 V HA 0.570 4.691 4.120 0.002 0.000 0.313 290 V C -0.837 175.265 176.094 0.015 0.000 1.162 290 V CA -1.269 61.044 62.300 0.023 0.000 1.048 290 V CB 2.279 34.069 31.823 -0.054 0.000 1.092 290 V HN -0.038 nan 8.190 nan 0.000 0.447 291 K N 1.346 121.745 120.400 -0.001 0.000 2.267 291 K HA 0.694 5.015 4.320 0.002 0.000 0.246 291 K C -0.955 175.608 176.600 -0.062 0.000 0.954 291 K CA -0.586 55.694 56.287 -0.013 0.000 0.824 291 K CB 2.374 34.865 32.500 -0.015 0.000 1.167 291 K HN 0.732 nan 8.250 nan 0.000 0.431 292 L N 0.866 122.064 121.223 -0.042 0.000 2.416 292 L HA 0.730 5.071 4.340 0.002 0.000 0.262 292 L C 0.077 176.906 176.870 -0.068 0.000 1.093 292 L CA -0.722 54.077 54.840 -0.067 0.000 0.801 292 L CB 1.491 43.546 42.059 -0.007 0.000 1.191 292 L HN 0.740 nan 8.230 nan 0.000 0.459 293 A N 1.710 124.480 122.820 -0.083 0.000 2.608 293 A HA 0.796 5.117 4.320 0.002 0.000 0.292 293 A C -1.256 176.283 177.584 -0.075 0.000 1.066 293 A CA -0.493 51.503 52.037 -0.068 0.000 0.676 293 A CB 1.710 20.675 19.000 -0.057 0.000 1.277 293 A HN 0.686 nan 8.150 nan 0.000 0.413 294 I N -2.042 118.494 120.570 -0.056 0.000 3.042 294 I HA 0.916 5.087 4.170 0.002 0.000 0.310 294 I C -0.866 175.233 176.117 -0.030 0.000 1.117 294 I CA -1.139 60.126 61.300 -0.058 0.000 1.003 294 I CB 2.266 40.233 38.000 -0.055 0.000 1.228 294 I HN 0.486 nan 8.210 nan 0.000 0.443 295 K N 2.938 123.319 120.400 -0.031 0.000 2.307 295 K HA 0.613 4.934 4.320 0.002 0.000 0.263 295 K C -1.709 174.919 176.600 0.048 0.000 0.973 295 K CA -0.542 55.745 56.287 -0.001 0.000 0.846 295 K CB 1.615 34.090 32.500 -0.041 0.000 1.100 295 K HN 0.583 nan 8.250 nan 0.000 0.438 296 V N 3.597 123.581 119.914 0.118 0.000 2.394 296 V HA 0.319 4.440 4.120 0.002 0.000 0.282 296 V C 0.155 176.385 176.094 0.226 0.000 1.031 296 V CA -0.735 61.681 62.300 0.192 0.000 0.881 296 V CB 1.359 33.267 31.823 0.143 0.000 0.982 296 V HN 0.898 nan 8.190 nan 0.000 0.451 297 S N 3.600 119.468 115.700 0.281 0.000 2.572 297 S HA 0.409 4.880 4.470 0.002 0.000 0.279 297 S C 0.609 175.307 174.600 0.163 0.000 1.341 297 S CA -0.005 58.325 58.200 0.216 0.000 1.043 297 S CB 0.746 64.142 63.200 0.327 0.000 0.887 297 S HN 1.054 nan 8.310 nan 0.000 0.516 298 G N 4.257 113.016 108.800 -0.067 0.000 2.741 298 G HA2 0.468 4.429 3.960 0.002 0.000 0.336 298 G HA3 0.468 4.429 3.960 0.002 0.000 0.336 298 G C -0.337 174.547 174.900 -0.027 0.000 1.022 298 G CA -0.495 44.505 45.100 -0.166 0.000 1.193 298 G HN 0.650 nan 8.290 nan 0.000 0.455 299 I N 3.954 124.482 120.570 -0.069 0.000 2.276 299 I HA 0.144 4.316 4.170 0.002 0.000 0.290 299 I C 0.979 176.870 176.117 -0.376 0.000 1.109 299 I CA -0.655 60.293 61.300 -0.587 0.000 1.229 299 I CB 0.085 37.795 38.000 -0.483 0.000 1.452 299 I HN 0.734 nan 8.210 nan 0.000 0.497 300 H N 3.463 122.464 119.070 -0.115 0.000 2.562 300 H HA 0.069 4.626 4.556 0.002 0.000 0.267 300 H C 0.159 175.592 175.328 0.174 0.000 0.959 300 H CA -0.733 55.357 56.048 0.069 0.000 1.204 300 H CB -0.454 29.368 29.762 0.100 0.000 1.430 300 H HN 0.527 nan 8.280 nan 0.000 0.545 301 W N -0.101 121.149 121.300 -0.084 0.000 2.266 301 W HA 0.328 4.989 4.660 0.002 0.000 0.317 301 W C -0.496 175.933 176.519 -0.151 0.000 1.310 301 W CA -1.243 55.977 57.345 -0.208 0.000 1.207 301 W CB 0.195 29.355 29.460 -0.501 0.000 1.199 301 W HN 0.334 nan 8.180 nan 0.000 0.544 302 W N 0.772 122.132 121.300 0.100 0.000 1.619 302 W HA -0.364 4.297 4.660 0.002 0.000 0.250 302 W C 1.404 177.829 176.519 -0.156 0.000 1.014 302 W CA 0.479 57.785 57.345 -0.065 0.000 0.427 302 W CB -2.250 27.117 29.460 -0.156 0.000 2.027 302 W HN 0.690 nan 8.180 nan 0.000 1.216 303 Y N 1.506 121.804 120.300 -0.004 0.000 2.403 303 Y HA -0.079 4.472 4.550 0.002 0.000 0.291 303 Y C 2.023 177.800 175.900 -0.204 0.000 1.143 303 Y CA 2.208 60.268 58.100 -0.066 0.000 1.257 303 Y CB -0.063 38.457 38.460 0.100 0.000 0.984 303 Y HN -0.057 nan 8.280 nan 0.000 0.550 304 K N 0.374 120.787 120.400 0.021 0.000 2.444 304 K HA 0.113 4.434 4.320 0.002 0.000 0.193 304 K C -0.163 176.401 176.600 -0.060 0.000 1.024 304 K CA 0.466 56.753 56.287 0.000 0.000 1.077 304 K CB 0.186 32.735 32.500 0.080 0.000 0.833 304 K HN 0.170 nan 8.250 nan 0.000 0.517 305 V N -2.595 117.244 119.914 -0.125 0.000 2.864 305 V HA 0.250 4.371 4.120 0.002 0.000 0.314 305 V C 0.918 176.914 176.094 -0.164 0.000 1.073 305 V CA -0.909 61.357 62.300 -0.056 0.000 0.956 305 V CB 1.991 33.866 31.823 0.087 0.000 1.023 305 V HN 0.025 nan 8.190 nan 0.000 0.435 306 E N 2.139 122.338 120.200 -0.002 0.000 2.147 306 E HA -0.257 4.094 4.350 0.002 0.000 0.199 306 E C 1.730 178.453 176.600 0.205 0.000 1.005 306 E CA 2.146 58.624 56.400 0.130 0.000 0.810 306 E CB -0.130 29.677 29.700 0.177 0.000 0.736 306 E HN 0.963 nan 8.360 nan 0.000 0.460 307 N N 0.319 119.026 118.700 0.011 0.000 2.396 307 N HA -0.184 4.557 4.740 0.002 0.000 0.180 307 N C -0.040 175.468 175.510 -0.004 0.000 1.028 307 N CA 0.724 53.647 53.050 -0.211 0.000 0.893 307 N CB -0.339 37.929 38.487 -0.366 0.000 0.967 307 N HN 0.283 nan 8.380 nan 0.000 0.440 308 H N 0.079 119.109 119.070 -0.067 0.000 2.594 308 H HA -0.179 4.378 4.556 0.002 0.000 0.316 308 H C 1.516 176.777 175.328 -0.112 0.000 1.107 308 H CA 0.401 56.438 56.048 -0.017 0.000 1.133 308 H CB -1.219 28.555 29.762 0.021 0.000 1.459 308 H HN 0.541 nan 8.280 nan 0.000 0.411 309 A N 0.823 123.457 122.820 -0.310 0.000 1.884 309 A HA -0.194 4.127 4.320 0.002 0.000 0.219 309 A C 2.582 179.819 177.584 -0.577 0.000 1.197 309 A CA 2.622 54.115 52.037 -0.907 0.000 0.637 309 A CB -0.880 17.220 19.000 -1.499 0.000 0.827 309 A HN 0.657 nan 8.150 nan 0.000 0.450 310 A N -0.778 121.869 122.820 -0.289 0.000 1.940 310 A HA -0.201 4.120 4.320 0.002 0.000 0.219 310 A C 1.937 179.377 177.584 -0.239 0.000 1.176 310 A CA 1.879 53.757 52.037 -0.265 0.000 0.631 310 A CB -0.542 18.102 19.000 -0.594 0.000 0.814 310 A HN 0.691 nan 8.150 nan 0.000 0.446 311 E N -0.752 119.396 120.200 -0.088 0.000 2.072 311 E HA -0.125 4.226 4.350 0.002 0.000 0.190 311 E C 1.843 178.528 176.600 0.141 0.000 0.982 311 E CA 1.009 57.476 56.400 0.112 0.000 0.803 311 E CB -0.214 29.652 29.700 0.277 0.000 0.755 311 E HN 0.449 nan 8.360 nan 0.000 0.453 312 L N 0.742 122.063 121.223 0.164 0.000 2.017 312 L HA -0.194 4.147 4.340 0.002 0.000 0.208 312 L C 2.727 179.783 176.870 0.310 0.000 1.073 312 L CA 2.163 57.185 54.840 0.303 0.000 0.745 312 L CB -1.183 41.178 42.059 0.504 0.000 0.894 312 L HN 0.291 nan 8.230 nan 0.000 0.432 313 T N -3.678 110.861 114.554 -0.026 0.000 2.915 313 T HA -0.080 4.272 4.350 0.002 0.000 0.269 313 T C 1.790 176.577 174.700 0.145 0.000 1.071 313 T CA 0.850 62.816 62.100 -0.224 0.000 1.132 313 T CB -0.451 68.110 68.868 -0.511 0.000 0.878 313 T HN 0.247 nan 8.240 nan 0.000 0.479 314 A N 0.877 123.737 122.820 0.066 0.000 2.119 314 A HA 0.560 4.881 4.320 0.002 0.000 0.216 314 A C 2.129 179.630 177.584 -0.138 0.000 1.152 314 A CA 0.883 52.910 52.037 -0.017 0.000 0.708 314 A CB -0.854 18.083 19.000 -0.106 0.000 0.805 314 A HN 1.338 nan 8.150 nan 0.000 0.460 315 G N -2.987 105.795 108.800 -0.030 0.000 2.192 315 G HA2 -0.172 3.789 3.960 0.002 0.000 0.193 315 G HA3 -0.172 3.789 3.960 0.002 0.000 0.193 315 G C -0.277 174.508 174.900 -0.192 0.000 0.999 315 G CA -0.033 44.972 45.100 -0.160 0.000 0.659 315 G HN 0.339 nan 8.290 nan 0.000 0.503 316 Y N 0.952 121.299 120.300 0.078 0.000 2.434 316 Y HA 0.450 5.001 4.550 0.002 0.000 0.341 316 Y C 0.545 176.458 175.900 0.022 0.000 0.965 316 Y CA -1.861 56.200 58.100 -0.065 0.000 1.205 316 Y CB 0.329 38.683 38.460 -0.177 0.000 1.121 316 Y HN 0.278 nan 8.280 nan 0.000 0.507 317 Y N 4.493 124.804 120.300 0.018 0.000 2.603 317 Y HA 0.099 4.650 4.550 0.002 0.000 0.341 317 Y C -0.122 175.720 175.900 -0.096 0.000 1.272 317 Y CA -0.485 57.629 58.100 0.022 0.000 1.891 317 Y CB -0.200 38.278 38.460 0.031 0.000 1.910 317 Y HN 0.609 nan 8.280 nan 0.000 0.432 318 N N 4.208 122.930 118.700 0.036 0.000 2.408 318 N HA 0.469 5.210 4.740 0.002 0.000 0.280 318 N C -1.551 173.678 175.510 -0.468 0.000 1.002 318 N CA -0.231 52.666 53.050 -0.256 0.000 0.907 318 N CB 0.940 39.262 38.487 -0.275 0.000 1.161 318 N HN 0.525 nan 8.380 nan 0.000 0.488 319 L N 1.886 122.819 121.223 -0.484 0.000 2.277 319 L HA 0.493 4.834 4.340 0.002 0.000 0.254 319 L C 1.005 177.674 176.870 -0.335 0.000 1.044 319 L CA -1.069 53.504 54.840 -0.445 0.000 0.842 319 L CB 1.211 43.218 42.059 -0.087 0.000 1.422 319 L HN 0.423 nan 8.230 nan 0.000 0.422 320 N N 0.903 119.570 118.700 -0.055 0.000 2.348 320 N HA -0.140 4.601 4.740 0.002 0.000 0.185 320 N C 0.328 175.817 175.510 -0.035 0.000 1.019 320 N CA 1.168 54.224 53.050 0.010 0.000 0.880 320 N CB -0.231 38.304 38.487 0.080 0.000 0.965 320 N HN 0.640 nan 8.380 nan 0.000 0.437 321 D N -1.460 118.906 120.400 -0.057 0.000 2.650 321 D HA 0.109 4.750 4.640 0.002 0.000 0.265 321 D C -0.203 176.033 176.300 -0.106 0.000 1.339 321 D CA -0.279 53.684 54.000 -0.062 0.000 0.816 321 D CB 0.008 40.787 40.800 -0.035 0.000 1.091 321 D HN -0.008 nan 8.370 nan 0.000 0.483 322 R N 0.810 121.215 120.500 -0.159 0.000 2.531 322 R HA 0.142 4.483 4.340 0.002 0.000 0.293 322 R C -1.635 174.539 176.300 -0.211 0.000 1.124 322 R CA -0.458 55.512 56.100 -0.216 0.000 0.945 322 R CB 1.069 31.152 30.300 -0.361 0.000 1.195 322 R HN -0.158 nan 8.270 nan 0.000 0.433 323 D N 3.285 123.594 120.400 -0.152 0.000 2.383 323 D HA 0.087 4.729 4.640 0.002 0.000 0.245 323 D C 0.827 177.027 176.300 -0.166 0.000 1.263 323 D CA 0.340 54.271 54.000 -0.116 0.000 0.936 323 D CB 1.159 41.920 40.800 -0.065 0.000 1.053 323 D HN 0.837 nan 8.370 nan 0.000 0.507 324 G N 2.520 111.156 108.800 -0.274 0.000 2.848 324 G HA2 -0.176 3.785 3.960 0.002 0.000 0.208 324 G HA3 -0.176 3.785 3.960 0.002 0.000 0.208 324 G C 0.679 175.268 174.900 -0.518 0.000 1.152 324 G CA 0.368 45.246 45.100 -0.371 0.000 0.789 324 G HN 0.454 nan 8.290 nan 0.000 0.531 325 Y N -0.937 119.302 120.300 -0.103 0.000 2.539 325 Y HA 0.280 4.831 4.550 0.002 0.000 0.284 325 Y C 2.606 178.420 175.900 -0.144 0.000 1.134 325 Y CA -0.108 57.888 58.100 -0.173 0.000 1.251 325 Y CB -0.136 38.150 38.460 -0.290 0.000 1.260 325 Y HN 0.048 nan 8.280 nan 0.000 0.528 326 R N 0.671 121.179 120.500 0.014 0.000 2.117 326 R HA -0.156 4.185 4.340 0.002 0.000 0.243 326 R C -1.026 175.264 176.300 -0.018 0.000 1.143 326 R CA 1.878 57.966 56.100 -0.020 0.000 0.968 326 R CB -1.158 29.125 30.300 -0.029 0.000 0.863 326 R HN 0.207 nan 8.270 nan 0.000 0.444 327 P HA -0.136 nan 4.420 nan 0.000 0.219 327 P C 0.833 178.132 177.300 -0.002 0.000 1.146 327 P CA 1.278 64.369 63.100 -0.015 0.000 0.808 327 P CB 0.023 31.709 31.700 -0.024 0.000 0.779 328 I N -1.105 119.466 120.570 0.001 0.000 2.353 328 I HA -0.173 3.998 4.170 0.002 0.000 0.248 328 I C 2.249 178.367 176.117 0.002 0.000 1.119 328 I CA 1.151 62.460 61.300 0.014 0.000 1.417 328 I CB -0.689 37.330 38.000 0.032 0.000 1.078 328 I HN -0.083 nan 8.210 nan 0.000 0.421 329 A N 0.915 123.726 122.820 -0.015 0.000 1.930 329 A HA -0.215 4.107 4.320 0.002 0.000 0.217 329 A C 2.434 180.018 177.584 -0.000 0.000 1.175 329 A CA 1.519 53.541 52.037 -0.025 0.000 0.627 329 A CB -0.565 18.404 19.000 -0.051 0.000 0.815 329 A HN 0.338 nan 8.150 nan 0.000 0.443 330 R N -1.075 119.428 120.500 0.005 0.000 2.092 330 R HA -0.090 4.252 4.340 0.002 0.000 0.231 330 R C 2.195 178.499 176.300 0.006 0.000 1.119 330 R CA 1.558 57.666 56.100 0.013 0.000 0.970 330 R CB -0.275 30.032 30.300 0.012 0.000 0.864 330 R HN 0.489 nan 8.270 nan 0.000 0.440 331 M N 0.789 120.399 119.600 0.016 0.000 2.117 331 M HA -0.138 4.343 4.480 0.002 0.000 0.262 331 M C 1.780 178.128 176.300 0.081 0.000 1.065 331 M CA 1.667 56.990 55.300 0.038 0.000 1.114 331 M CB -0.361 32.267 32.600 0.048 0.000 1.361 331 M HN 0.293 nan 8.290 nan 0.000 0.408 332 L N 0.367 121.629 121.223 0.064 0.000 2.201 332 L HA -0.173 4.168 4.340 0.002 0.000 0.212 332 L C 2.629 179.511 176.870 0.021 0.000 1.105 332 L CA 1.314 56.200 54.840 0.078 0.000 0.775 332 L CB -0.859 41.213 42.059 0.021 0.000 0.913 332 L HN 0.451 nan 8.230 nan 0.000 0.440 333 S N 1.118 116.808 115.700 -0.016 0.000 2.383 333 S HA -0.253 4.218 4.470 0.002 0.000 0.229 333 S C 2.004 176.489 174.600 -0.192 0.000 1.030 333 S CA 1.277 59.448 58.200 -0.049 0.000 1.002 333 S CB -0.516 62.687 63.200 0.005 0.000 0.829 333 S HN 0.589 nan 8.310 nan 0.000 0.467 334 R N 0.334 120.672 120.500 -0.270 0.000 2.235 334 R HA 0.060 4.401 4.340 0.002 0.000 0.213 334 R C 1.343 177.157 176.300 -0.810 0.000 1.059 334 R CA 1.346 57.160 56.100 -0.477 0.000 0.997 334 R CB -0.710 29.330 30.300 -0.432 0.000 0.884 334 R HN 0.543 nan 8.270 nan 0.000 0.462 335 H N 0.282 119.108 119.070 -0.407 0.000 2.586 335 H HA 0.107 4.665 4.556 0.002 0.000 0.273 335 H C -0.286 174.850 175.328 -0.319 0.000 0.997 335 H CA 0.302 56.145 56.048 -0.342 0.000 1.177 335 H CB 0.094 29.782 29.762 -0.122 0.000 1.471 335 H HN 0.485 nan 8.280 nan 0.000 0.538 336 H N -0.858 118.243 119.070 0.052 0.000 2.820 336 H HA -0.122 4.435 4.556 0.002 0.000 0.295 336 H C 0.487 175.808 175.328 -0.012 0.000 1.187 336 H CA 0.292 56.345 56.048 0.008 0.000 1.144 336 H CB -1.647 28.116 29.762 0.002 0.000 1.354 336 H HN 0.486 nan 8.280 nan 0.000 0.395 337 A N 0.369 123.216 122.820 0.044 0.000 2.264 337 A HA 0.673 4.994 4.320 0.002 0.000 0.304 337 A C 0.508 178.059 177.584 -0.054 0.000 1.100 337 A CA -0.586 51.451 52.037 -0.001 0.000 0.839 337 A CB 0.830 19.835 19.000 0.007 0.000 1.121 337 A HN 0.314 nan 8.150 nan 0.000 0.496 338 I N 0.578 121.098 120.570 -0.083 0.000 2.440 338 I HA 0.259 4.430 4.170 0.002 0.000 0.294 338 I C -0.192 175.900 176.117 -0.042 0.000 0.995 338 I CA -0.166 61.078 61.300 -0.094 0.000 1.306 338 I CB 1.369 39.314 38.000 -0.092 0.000 1.407 338 I HN 0.536 nan 8.210 nan 0.000 0.501 339 L N 7.105 128.308 121.223 -0.034 0.000 2.272 339 L HA 0.349 4.690 4.340 0.002 0.000 0.284 339 L C -0.136 176.747 176.870 0.022 0.000 1.045 339 L CA -0.151 54.673 54.840 -0.027 0.000 0.842 339 L CB 0.155 42.165 42.059 -0.081 0.000 1.224 339 L HN 0.655 nan 8.230 nan 0.000 0.430 340 N N 3.906 122.637 118.700 0.051 0.000 2.406 340 N HA 0.154 4.895 4.740 0.002 0.000 0.251 340 N C -0.840 174.765 175.510 0.159 0.000 1.069 340 N CA -0.403 52.704 53.050 0.094 0.000 0.947 340 N CB 0.663 39.183 38.487 0.055 0.000 1.111 340 N HN 0.413 nan 8.380 nan 0.000 0.497 341 F N 2.093 122.020 119.950 -0.039 0.000 2.590 341 F HA 0.561 5.089 4.527 0.002 0.000 0.379 341 F C 0.718 176.498 175.800 -0.033 0.000 1.154 341 F CA -0.355 57.601 58.000 -0.074 0.000 1.136 341 F CB 1.427 40.346 39.000 -0.135 0.000 1.601 341 F HN 0.309 nan 8.300 nan 0.000 0.504 342 T N -1.883 112.178 114.554 -0.822 0.000 2.612 342 T HA 0.324 4.676 4.350 0.002 0.000 0.296 342 T C -0.617 173.766 174.700 -0.528 0.000 1.148 342 T CA 0.301 62.087 62.100 -0.524 0.000 1.077 342 T CB 0.321 68.932 68.868 -0.428 0.000 1.591 342 T HN 0.819 nan 8.240 nan 0.000 0.479 343 C N 0.683 119.797 119.300 -0.309 0.000 4.326 343 C HA -0.112 4.349 4.460 0.002 0.000 0.284 343 C C 1.749 176.664 174.990 -0.124 0.000 1.419 343 C CA 0.422 59.314 59.018 -0.211 0.000 1.920 343 C CB -3.075 24.529 27.740 -0.228 0.000 1.306 343 C HN 0.777 nan 8.230 nan 0.000 0.786 344 L N 1.472 122.657 121.223 -0.065 0.000 2.265 344 L HA -0.090 4.251 4.340 0.002 0.000 0.215 344 L C 2.560 179.441 176.870 0.018 0.000 1.117 344 L CA 2.432 57.294 54.840 0.035 0.000 0.782 344 L CB -0.469 41.655 42.059 0.109 0.000 0.914 344 L HN 0.689 nan 8.230 nan 0.000 0.441 345 E N -0.699 119.471 120.200 -0.050 0.000 2.474 345 E HA -0.025 4.326 4.350 0.002 0.000 0.194 345 E C 0.713 177.251 176.600 -0.104 0.000 1.041 345 E CA 0.093 56.444 56.400 -0.081 0.000 0.874 345 E CB 0.041 29.650 29.700 -0.151 0.000 0.914 345 E HN 0.353 nan 8.360 nan 0.000 0.498 346 M N 1.470 120.997 119.600 -0.122 0.000 2.250 346 M HA 0.328 4.809 4.480 0.002 0.000 0.344 346 M C 0.282 176.506 176.300 -0.127 0.000 1.150 346 M CA 0.023 55.230 55.300 -0.155 0.000 1.147 346 M CB 1.187 33.648 32.600 -0.233 0.000 1.498 346 M HN -0.228 nan 8.290 nan 0.000 0.461 347 R N 1.018 121.443 120.500 -0.125 0.000 2.599 347 R HA 0.216 4.557 4.340 0.002 0.000 0.295 347 R C -0.243 175.991 176.300 -0.110 0.000 0.963 347 R CA -0.845 55.198 56.100 -0.094 0.000 0.883 347 R CB 1.561 31.825 30.300 -0.061 0.000 1.171 347 R HN 0.646 nan 8.270 nan 0.000 0.450 348 D N 0.579 120.923 120.400 -0.093 0.000 2.158 348 D HA -0.190 4.451 4.640 0.002 0.000 0.197 348 D C 1.660 177.925 176.300 -0.059 0.000 0.995 348 D CA 2.086 56.039 54.000 -0.079 0.000 0.846 348 D CB 0.006 40.777 40.800 -0.049 0.000 0.941 348 D HN 0.546 nan 8.370 nan 0.000 0.456 349 S N -0.095 115.577 115.700 -0.047 0.000 2.537 349 S HA -0.126 4.345 4.470 0.002 0.000 0.240 349 S C 1.375 175.947 174.600 -0.046 0.000 0.981 349 S CA 0.619 58.797 58.200 -0.036 0.000 0.948 349 S CB -0.322 62.862 63.200 -0.027 0.000 0.759 349 S HN 0.344 nan 8.310 nan 0.000 0.531 350 E N 0.534 120.692 120.200 -0.069 0.000 2.479 350 E HA 0.118 4.470 4.350 0.002 0.000 0.193 350 E C 0.033 176.583 176.600 -0.083 0.000 1.049 350 E CA 0.078 56.430 56.400 -0.081 0.000 0.870 350 E CB 0.174 29.810 29.700 -0.107 0.000 0.944 350 E HN 0.538 nan 8.360 nan 0.000 0.492 351 Q N 1.417 121.181 119.800 -0.060 0.000 2.266 351 Q HA 0.310 4.651 4.340 0.002 0.000 0.261 351 Q C -2.236 173.775 176.000 0.019 0.000 0.985 351 Q CA -2.414 53.383 55.803 -0.010 0.000 0.873 351 Q CB 0.761 29.523 28.738 0.039 0.000 1.306 351 Q HN 0.019 nan 8.270 nan 0.000 0.447 352 P HA 0.084 nan 4.420 nan 0.000 0.268 352 P C 0.172 177.466 177.300 -0.010 0.000 1.205 352 P CA 0.083 63.195 63.100 0.021 0.000 0.771 352 P CB 0.878 32.600 31.700 0.037 0.000 0.858 353 S N 1.243 116.930 115.700 -0.022 0.000 2.383 353 S HA -0.155 4.316 4.470 0.002 0.000 0.229 353 S C 1.326 175.886 174.600 -0.068 0.000 1.030 353 S CA 1.606 59.787 58.200 -0.032 0.000 1.002 353 S CB -0.671 62.520 63.200 -0.014 0.000 0.829 353 S HN 0.696 nan 8.310 nan 0.000 0.467 354 D N 1.287 121.640 120.400 -0.078 0.000 2.403 354 D HA -0.016 4.625 4.640 0.002 0.000 0.227 354 D C 1.172 177.288 176.300 -0.307 0.000 0.995 354 D CA 0.774 54.710 54.000 -0.107 0.000 0.928 354 D CB -0.017 40.742 40.800 -0.068 0.000 0.887 354 D HN 0.465 nan 8.370 nan 0.000 0.529 355 A N 0.608 123.197 122.820 -0.384 0.000 2.343 355 A HA 0.048 4.369 4.320 0.002 0.000 0.223 355 A C 0.768 177.904 177.584 -0.745 0.000 1.214 355 A CA -0.326 51.270 52.037 -0.734 0.000 0.900 355 A CB 0.094 18.808 19.000 -0.476 0.000 0.942 355 A HN -0.040 nan 8.150 nan 0.000 0.507 356 K N 0.688 120.864 120.400 -0.373 0.000 3.177 356 K HA -0.151 4.170 4.320 0.002 0.000 0.266 356 K C 0.092 176.657 176.600 -0.058 0.000 0.937 356 K CA 1.011 57.205 56.287 -0.156 0.000 0.702 356 K CB -2.331 30.134 32.500 -0.058 0.000 1.365 356 K HN 0.530 nan 8.250 nan 0.000 0.466 357 S N -0.419 115.288 115.700 0.012 0.000 2.513 357 S HA 0.545 5.016 4.470 0.002 0.000 0.276 357 S C 0.817 175.488 174.600 0.119 0.000 1.254 357 S CA 0.191 58.500 58.200 0.182 0.000 1.053 357 S CB 1.125 64.514 63.200 0.315 0.000 0.958 357 S HN 0.456 nan 8.310 nan 0.000 0.491 358 G N 5.333 114.214 108.800 0.136 0.000 4.904 358 G HA2 0.321 4.282 3.960 0.002 0.000 0.265 358 G HA3 0.321 4.282 3.960 0.002 0.000 0.265 358 G C -1.593 173.192 174.900 -0.192 0.000 1.227 358 G CA -0.877 44.226 45.100 0.006 0.000 0.926 358 G HN 0.601 nan 8.290 nan 0.000 0.581 359 P HA -0.235 nan 4.420 nan 0.000 0.216 359 P C 1.488 178.650 177.300 -0.229 0.000 1.150 359 P CA 1.157 64.130 63.100 -0.212 0.000 0.843 359 P CB 0.492 31.991 31.700 -0.335 0.000 0.787 360 Q N -0.104 119.569 119.800 -0.212 0.000 2.030 360 Q HA -0.200 4.142 4.340 0.002 0.000 0.204 360 Q C 2.294 178.103 176.000 -0.319 0.000 0.986 360 Q CA 1.713 57.381 55.803 -0.225 0.000 0.843 360 Q CB -0.392 28.244 28.738 -0.169 0.000 0.904 360 Q HN 0.266 nan 8.270 nan 0.000 0.420 361 E N 0.545 120.570 120.200 -0.293 0.000 2.077 361 E HA -0.183 4.168 4.350 0.002 0.000 0.193 361 E C 1.717 178.046 176.600 -0.451 0.000 0.989 361 E CA 0.627 56.855 56.400 -0.287 0.000 0.800 361 E CB -0.242 29.424 29.700 -0.056 0.000 0.746 361 E HN 0.158 nan 8.360 nan 0.000 0.452 362 L N 0.208 120.996 121.223 -0.725 0.000 2.012 362 L HA -0.161 4.180 4.340 0.002 0.000 0.210 362 L C 2.064 178.714 176.870 -0.367 0.000 1.073 362 L CA 1.522 55.947 54.840 -0.692 0.000 0.748 362 L CB -0.619 41.111 42.059 -0.549 0.000 0.891 362 L HN 0.032 nan 8.230 nan 0.000 0.431 363 V N -0.386 119.410 119.914 -0.198 0.000 2.332 363 V HA -0.351 3.770 4.120 0.002 0.000 0.248 363 V C 2.614 178.522 176.094 -0.310 0.000 1.055 363 V CA 2.116 64.365 62.300 -0.084 0.000 1.038 363 V CB -0.694 31.123 31.823 -0.009 0.000 0.651 363 V HN 0.579 nan 8.190 nan 0.000 0.450 364 Q N -0.715 118.775 119.800 -0.518 0.000 2.079 364 Q HA -0.264 4.078 4.340 0.002 0.000 0.200 364 Q C 2.399 178.205 176.000 -0.323 0.000 0.974 364 Q CA 1.883 57.250 55.803 -0.727 0.000 0.840 364 Q CB -0.186 27.990 28.738 -0.936 0.000 0.898 364 Q HN 0.697 nan 8.270 nan 0.000 0.430 365 Q N 0.224 119.862 119.800 -0.269 0.000 2.020 365 Q HA -0.172 4.169 4.340 0.002 0.000 0.202 365 Q C 2.116 177.965 176.000 -0.253 0.000 0.982 365 Q CA 1.682 57.386 55.803 -0.163 0.000 0.838 365 Q CB 0.061 28.779 28.738 -0.034 0.000 0.899 365 Q HN 0.240 nan 8.270 nan 0.000 0.423 366 V N 0.964 120.590 119.914 -0.480 0.000 2.255 366 V HA -0.286 3.835 4.120 0.002 0.000 0.247 366 V C 2.387 178.155 176.094 -0.543 0.000 1.051 366 V CA 1.495 63.388 62.300 -0.678 0.000 1.018 366 V CB -0.586 30.394 31.823 -1.406 0.000 0.641 366 V HN 0.318 nan 8.190 nan 0.000 0.445 367 L N 0.012 120.926 121.223 -0.515 0.000 2.017 367 L HA -0.132 4.210 4.340 0.002 0.000 0.208 367 L C 2.635 179.092 176.870 -0.688 0.000 1.073 367 L CA 2.019 56.413 54.840 -0.744 0.000 0.745 367 L CB -1.051 40.646 42.059 -0.602 0.000 0.894 367 L HN 0.250 nan 8.230 nan 0.000 0.432 368 S N -0.494 115.154 115.700 -0.088 0.000 2.368 368 S HA -0.139 4.333 4.470 0.002 0.000 0.225 368 S C 2.059 176.711 174.600 0.087 0.000 1.030 368 S CA 1.149 59.528 58.200 0.299 0.000 0.999 368 S CB -0.822 62.491 63.200 0.190 0.000 0.844 368 S HN 0.603 nan 8.310 nan 0.000 0.459 369 G N 1.274 110.021 108.800 -0.088 0.000 2.418 369 G HA2 -0.066 3.895 3.960 0.002 0.000 0.217 369 G HA3 -0.066 3.895 3.960 0.002 0.000 0.217 369 G C 1.448 176.300 174.900 -0.081 0.000 1.158 369 G CA 0.960 46.009 45.100 -0.086 0.000 0.771 369 G HN 0.558 nan 8.290 nan 0.000 0.545 370 G N 0.073 108.759 108.800 -0.190 0.000 2.433 370 G HA2 -0.209 3.753 3.960 0.002 0.000 0.216 370 G HA3 -0.209 3.753 3.960 0.002 0.000 0.216 370 G C 1.584 176.462 174.900 -0.037 0.000 1.186 370 G CA 0.933 45.924 45.100 -0.183 0.000 0.779 370 G HN 0.388 nan 8.290 nan 0.000 0.543 371 W N 0.651 121.978 121.300 0.045 0.000 2.392 371 W HA 0.077 4.738 4.660 0.002 0.000 0.279 371 W C 2.608 179.043 176.519 -0.139 0.000 1.225 371 W CA 0.598 57.944 57.345 0.001 0.000 1.233 371 W CB -0.575 28.935 29.460 0.083 0.000 1.122 371 W HN 0.139 nan 8.180 nan 0.000 0.561 372 R N 0.660 121.248 120.500 0.148 0.000 2.115 372 R HA -0.093 4.248 4.340 0.002 0.000 0.230 372 R C 1.684 177.875 176.300 -0.181 0.000 1.111 372 R CA 1.150 57.225 56.100 -0.043 0.000 0.976 372 R CB -0.506 29.789 30.300 -0.008 0.000 0.870 372 R HN -0.056 nan 8.270 nan 0.000 0.445 373 E N -0.695 119.475 120.200 -0.049 0.000 2.489 373 E HA -0.007 4.345 4.350 0.002 0.000 0.193 373 E C -0.449 176.279 176.600 0.214 0.000 1.057 373 E CA -0.074 56.376 56.400 0.083 0.000 0.866 373 E CB 0.095 29.830 29.700 0.058 0.000 0.916 373 E HN 0.314 nan 8.360 nan 0.000 0.500 374 Y N -0.348 120.038 120.300 0.143 0.000 3.689 374 Y HA -0.256 4.295 4.550 0.002 0.000 0.221 374 Y C 0.637 176.599 175.900 0.104 0.000 1.247 374 Y CA 0.300 58.479 58.100 0.132 0.000 1.671 374 Y CB -2.426 36.088 38.460 0.089 0.000 1.521 374 Y HN 0.170 nan 8.280 nan 0.000 0.632 375 I N -2.284 118.391 120.570 0.175 0.000 2.982 375 I HA 0.726 4.898 4.170 0.002 0.000 0.312 375 I C 0.441 176.620 176.117 0.102 0.000 1.041 375 I CA -1.701 59.657 61.300 0.098 0.000 1.053 375 I CB 1.624 39.644 38.000 0.034 0.000 1.248 375 I HN -0.058 nan 8.210 nan 0.000 0.471 376 R N 1.952 122.443 120.500 -0.015 0.000 2.441 376 R HA 0.613 4.954 4.340 0.002 0.000 0.284 376 R C -1.178 175.137 176.300 0.025 0.000 1.070 376 R CA -0.617 55.461 56.100 -0.037 0.000 1.047 376 R CB 1.477 31.468 30.300 -0.515 0.000 1.016 376 R HN 0.485 nan 8.270 nan 0.000 0.477 377 V N 2.346 122.366 119.914 0.175 0.000 2.443 377 V HA 0.563 4.684 4.120 0.002 0.000 0.293 377 V C -0.188 176.049 176.094 0.239 0.000 1.021 377 V CA -0.659 61.686 62.300 0.075 0.000 0.848 377 V CB 1.405 33.087 31.823 -0.235 0.000 0.998 377 V HN 0.979 nan 8.190 nan 0.000 0.424 378 A N 3.515 126.465 122.820 0.216 0.000 2.373 378 A HA 1.089 5.411 4.320 0.002 0.000 0.291 378 A C 0.192 177.906 177.584 0.216 0.000 1.171 378 A CA -0.185 52.018 52.037 0.278 0.000 0.922 378 A CB 1.939 21.121 19.000 0.302 0.000 1.400 378 A HN 1.399 nan 8.150 nan 0.000 0.474 379 G N -1.300 107.631 108.800 0.218 0.000 2.559 379 G HA2 0.574 4.535 3.960 0.002 0.000 0.291 379 G HA3 0.574 4.535 3.960 0.002 0.000 0.291 379 G C -1.684 173.305 174.900 0.149 0.000 1.424 379 G CA -0.603 44.601 45.100 0.173 0.000 0.786 379 G HN 0.737 nan 8.290 nan 0.000 0.485 380 E N -0.263 119.978 120.200 0.068 0.000 2.410 380 E HA 0.359 4.710 4.350 0.002 0.000 0.269 380 E C -0.807 175.780 176.600 -0.021 0.000 0.937 380 E CA -1.174 55.254 56.400 0.047 0.000 0.793 380 E CB 1.922 31.625 29.700 0.004 0.000 1.314 380 E HN 0.595 nan 8.360 nan 0.000 0.447 381 N N 0.360 119.027 118.700 -0.054 0.000 2.499 381 N HA 0.189 4.930 4.740 0.002 0.000 0.281 381 N C 0.149 175.565 175.510 -0.157 0.000 1.098 381 N CA -0.079 52.899 53.050 -0.120 0.000 0.979 381 N CB 1.743 40.121 38.487 -0.182 0.000 1.121 381 N HN 0.553 nan 8.380 nan 0.000 0.466 382 A N 2.970 125.699 122.820 -0.152 0.000 1.872 382 A HA 0.092 4.413 4.320 0.002 0.000 0.214 382 A C 1.019 178.523 177.584 -0.132 0.000 1.187 382 A CA 0.714 52.676 52.037 -0.125 0.000 0.614 382 A CB -0.214 18.733 19.000 -0.088 0.000 0.826 382 A HN 0.678 nan 8.150 nan 0.000 0.442 383 L N -1.130 119.992 121.223 -0.169 0.000 2.319 383 L HA 0.412 4.753 4.340 0.002 0.000 0.267 383 L C -2.681 174.030 176.870 -0.265 0.000 1.011 383 L CA -2.560 52.169 54.840 -0.185 0.000 0.818 383 L CB 1.613 43.569 42.059 -0.171 0.000 1.316 383 L HN -0.102 nan 8.230 nan 0.000 0.432 384 P HA 0.140 nan 4.420 nan 0.000 0.267 384 P C -1.164 175.842 177.300 -0.489 0.000 1.209 384 P CA 0.038 62.896 63.100 -0.403 0.000 0.763 384 P CB 0.424 31.966 31.700 -0.263 0.000 0.816 385 R N 3.034 123.135 120.500 -0.665 0.000 2.604 385 R HA 0.321 4.662 4.340 0.002 0.000 0.281 385 R C -0.617 175.244 176.300 -0.730 0.000 1.020 385 R CA -0.522 55.228 56.100 -0.584 0.000 0.899 385 R CB 1.427 31.464 30.300 -0.438 0.000 1.205 385 R HN 0.461 nan 8.270 nan 0.000 0.450 386 Y N -0.598 119.634 120.300 -0.114 0.000 2.563 386 Y HA 0.091 4.642 4.550 0.002 0.000 0.250 386 Y C 0.456 176.359 175.900 0.005 0.000 1.126 386 Y CA -0.748 57.357 58.100 0.008 0.000 1.231 386 Y CB 0.750 39.271 38.460 0.101 0.000 1.288 386 Y HN 0.458 nan 8.280 nan 0.000 0.537 387 D N 0.151 120.526 120.400 -0.043 0.000 2.283 387 D HA 0.283 4.924 4.640 0.002 0.000 0.248 387 D C 1.188 177.489 176.300 0.002 0.000 1.072 387 D CA 0.271 54.279 54.000 0.012 0.000 0.929 387 D CB 2.236 43.023 40.800 -0.021 0.000 1.182 387 D HN 0.097 nan 8.370 nan 0.000 0.433 388 A N 2.229 125.132 122.820 0.138 0.000 1.940 388 A HA -0.175 4.147 4.320 0.002 0.000 0.219 388 A C 2.133 179.777 177.584 0.101 0.000 1.176 388 A CA 1.877 54.032 52.037 0.197 0.000 0.631 388 A CB -0.973 18.106 19.000 0.132 0.000 0.814 388 A HN 0.714 nan 8.150 nan 0.000 0.446 389 T N 0.372 114.942 114.554 0.026 0.000 2.684 389 T HA -0.090 4.261 4.350 0.002 0.000 0.267 389 T C 2.225 176.902 174.700 -0.038 0.000 1.036 389 T CA 1.756 63.856 62.100 0.000 0.000 1.148 389 T CB -0.493 68.363 68.868 -0.019 0.000 0.863 389 T HN 0.630 nan 8.240 nan 0.000 0.436 390 A N 0.569 123.307 122.820 -0.136 0.000 1.877 390 A HA -0.096 4.225 4.320 0.002 0.000 0.216 390 A C 2.071 179.535 177.584 -0.200 0.000 1.186 390 A CA 1.499 53.400 52.037 -0.227 0.000 0.620 390 A CB -1.069 17.695 19.000 -0.395 0.000 0.822 390 A HN 0.540 nan 8.150 nan 0.000 0.443 391 Y N 0.786 121.024 120.300 -0.105 0.000 2.181 391 Y HA -0.177 4.374 4.550 0.002 0.000 0.288 391 Y C 2.457 178.391 175.900 0.057 0.000 1.146 391 Y CA 1.328 59.343 58.100 -0.143 0.000 1.164 391 Y CB -0.578 37.800 38.460 -0.137 0.000 0.982 391 Y HN 0.316 nan 8.280 nan 0.000 0.515 392 N N 0.004 118.825 118.700 0.201 0.000 2.166 392 N HA -0.188 4.553 4.740 0.002 0.000 0.186 392 N C 1.878 177.470 175.510 0.136 0.000 1.019 392 N CA 1.330 54.471 53.050 0.153 0.000 0.856 392 N CB -0.441 38.106 38.487 0.101 0.000 0.993 392 N HN 0.372 nan 8.380 nan 0.000 0.426 393 Q N 1.047 120.907 119.800 0.100 0.000 2.079 393 Q HA 0.064 4.405 4.340 0.002 0.000 0.200 393 Q C 1.954 178.044 176.000 0.149 0.000 0.974 393 Q CA 1.089 56.952 55.803 0.100 0.000 0.840 393 Q CB -0.280 28.480 28.738 0.037 0.000 0.898 393 Q HN 0.401 nan 8.270 nan 0.000 0.430 394 I N -0.249 120.417 120.570 0.160 0.000 2.179 394 I HA -0.266 3.905 4.170 0.002 0.000 0.242 394 I C 2.108 178.391 176.117 0.277 0.000 1.088 394 I CA 1.136 62.576 61.300 0.233 0.000 1.357 394 I CB -0.331 37.841 38.000 0.288 0.000 1.051 394 I HN 0.223 nan 8.210 nan 0.000 0.409 395 I N 0.271 121.015 120.570 0.289 0.000 2.264 395 I HA -0.305 3.866 4.170 0.002 0.000 0.248 395 I C 2.546 178.740 176.117 0.128 0.000 1.111 395 I CA 1.114 62.523 61.300 0.181 0.000 1.382 395 I CB -0.336 37.744 38.000 0.134 0.000 1.060 395 I HN 0.266 nan 8.210 nan 0.000 0.418 396 L N 1.251 122.564 121.223 0.150 0.000 1.989 396 L HA -0.229 4.112 4.340 0.002 0.000 0.211 396 L C 2.138 179.119 176.870 0.185 0.000 1.071 396 L CA 2.009 56.935 54.840 0.144 0.000 0.749 396 L CB -0.973 41.203 42.059 0.197 0.000 0.890 396 L HN 0.216 nan 8.230 nan 0.000 0.431 397 N N -0.028 118.857 118.700 0.308 0.000 2.309 397 N HA -0.093 4.648 4.740 0.002 0.000 0.182 397 N C 1.770 177.470 175.510 0.316 0.000 1.018 397 N CA 1.266 54.577 53.050 0.434 0.000 0.876 397 N CB -0.271 38.463 38.487 0.412 0.000 0.972 397 N HN 0.561 nan 8.380 nan 0.000 0.434 398 A N 0.719 123.672 122.820 0.221 0.000 1.969 398 A HA -0.013 4.309 4.320 0.002 0.000 0.218 398 A C 1.056 178.698 177.584 0.097 0.000 1.169 398 A CA 1.080 53.224 52.037 0.179 0.000 0.635 398 A CB 0.092 19.161 19.000 0.115 0.000 0.810 398 A HN 0.178 nan 8.150 nan 0.000 0.445 399 R N -1.396 119.106 120.500 0.004 0.000 2.718 399 R HA 0.214 4.556 4.340 0.002 0.000 0.266 399 R C -2.505 173.660 176.300 -0.225 0.000 1.776 399 R CA -1.450 54.577 56.100 -0.121 0.000 1.567 399 R CB 1.049 31.287 30.300 -0.104 0.000 1.336 399 R HN 0.129 nan 8.270 nan 0.000 0.619 400 P HA -0.210 nan 4.420 nan 0.000 0.217 400 P C 0.409 177.378 177.300 -0.552 0.000 1.148 400 P CA 1.455 64.039 63.100 -0.861 0.000 0.834 400 P CB 0.315 30.959 31.700 -1.760 0.000 0.783 401 Q N -1.182 118.378 119.800 -0.401 0.000 2.175 401 Q HA 0.347 4.688 4.340 0.002 0.000 0.225 401 Q C 0.800 176.697 176.000 -0.172 0.000 0.837 401 Q CA -0.011 55.642 55.803 -0.249 0.000 1.032 401 Q CB 0.446 29.037 28.738 -0.245 0.000 1.137 401 Q HN 0.129 nan 8.270 nan 0.000 0.483 402 G N 0.593 109.297 108.800 -0.160 0.000 2.752 402 G HA2 -0.272 3.690 3.960 0.002 0.000 0.234 402 G HA3 -0.272 3.690 3.960 0.002 0.000 0.234 402 G C -0.135 174.700 174.900 -0.107 0.000 1.367 402 G CA -0.603 44.433 45.100 -0.108 0.000 0.879 402 G HN 0.142 nan 8.290 nan 0.000 0.563 403 V N 1.046 120.912 119.914 -0.080 0.000 2.811 403 V HA 0.382 4.503 4.120 0.002 0.000 0.302 403 V C 0.734 176.786 176.094 -0.070 0.000 1.063 403 V CA 0.361 62.618 62.300 -0.072 0.000 1.088 403 V CB 1.547 33.337 31.823 -0.056 0.000 0.982 403 V HN 0.947 nan 8.190 nan 0.000 0.485 404 N N 2.715 121.375 118.700 -0.067 0.000 2.417 404 N HA 0.268 5.009 4.740 0.002 0.000 0.274 404 N C 0.441 175.923 175.510 -0.047 0.000 0.987 404 N CA -0.278 52.735 53.050 -0.062 0.000 0.912 404 N CB 0.886 39.329 38.487 -0.073 0.000 1.177 404 N HN 0.590 nan 8.380 nan 0.000 0.490 405 N N 2.161 120.836 118.700 -0.041 0.000 2.459 405 N HA -0.039 4.702 4.740 0.002 0.000 0.181 405 N C -0.688 174.803 175.510 -0.031 0.000 1.046 405 N CA 0.573 53.603 53.050 -0.033 0.000 0.904 405 N CB 0.013 38.482 38.487 -0.029 0.000 0.964 405 N HN 0.550 nan 8.380 nan 0.000 0.444 406 N N 0.148 118.828 118.700 -0.033 0.000 2.765 406 N HA 0.406 5.147 4.740 0.002 0.000 0.277 406 N C -0.602 174.888 175.510 -0.033 0.000 1.750 406 N CA -0.320 52.712 53.050 -0.030 0.000 0.827 406 N CB 1.707 40.177 38.487 -0.028 0.000 1.200 406 N HN 0.115 nan 8.380 nan 0.000 0.494 407 G N 1.061 109.841 108.800 -0.033 0.000 2.381 407 G HA2 -0.059 3.902 3.960 0.002 0.000 0.672 407 G HA3 -0.059 3.902 3.960 0.002 0.000 0.672 407 G C -3.251 171.626 174.900 -0.038 0.000 1.324 407 G CA -1.226 43.854 45.100 -0.034 0.000 0.975 407 G HN 0.079 nan 8.290 nan 0.000 0.593 408 P HA 0.271 nan 4.420 nan 0.000 0.270 408 P C -2.382 174.875 177.300 -0.071 0.000 1.223 408 P CA -0.735 62.344 63.100 -0.035 0.000 0.785 408 P CB 0.043 31.732 31.700 -0.019 0.000 0.923 409 P HA -0.047 nan 4.420 nan 0.000 0.267 409 P C 0.823 178.004 177.300 -0.199 0.000 1.201 409 P CA 0.143 63.160 63.100 -0.138 0.000 0.775 409 P CB 0.539 32.153 31.700 -0.145 0.000 0.854 410 K N 1.222 121.483 120.400 -0.230 0.000 2.026 410 K HA 0.006 4.327 4.320 0.002 0.000 0.208 410 K C 0.941 177.267 176.600 -0.457 0.000 1.048 410 K CA 1.341 57.456 56.287 -0.287 0.000 0.929 410 K CB -0.360 31.984 32.500 -0.259 0.000 0.713 410 K HN 0.511 nan 8.250 nan 0.000 0.439 411 L N -0.128 120.762 121.223 -0.555 0.000 2.381 411 L HA 0.362 4.703 4.340 0.002 0.000 0.268 411 L C -0.541 175.904 176.870 -0.708 0.000 0.997 411 L CA -0.675 53.614 54.840 -0.918 0.000 0.818 411 L CB 2.308 43.711 42.059 -1.094 0.000 1.310 411 L HN -0.116 nan 8.230 nan 0.000 0.416 412 S N 2.657 117.902 115.700 -0.758 0.000 2.563 412 S HA 0.525 4.996 4.470 0.002 0.000 0.279 412 S C -0.825 173.865 174.600 0.149 0.000 1.155 412 S CA -0.701 57.367 58.200 -0.221 0.000 0.928 412 S CB 1.293 64.428 63.200 -0.108 0.000 1.107 412 S HN 0.535 nan 8.310 nan 0.000 0.462 413 M N 3.992 123.827 119.600 0.391 0.000 2.240 413 M HA 0.270 4.751 4.480 0.002 0.000 0.333 413 M C 0.771 177.348 176.300 0.463 0.000 1.110 413 M CA -0.069 55.558 55.300 0.545 0.000 1.173 413 M CB 0.248 33.109 32.600 0.436 0.000 1.458 413 M HN 0.844 nan 8.290 nan 0.000 0.458 414 F N 0.950 121.097 119.950 0.329 0.000 2.234 414 F HA 0.159 4.687 4.527 0.002 0.000 0.299 414 F C 0.977 177.036 175.800 0.432 0.000 1.087 414 F CA 1.296 59.484 58.000 0.314 0.000 1.340 414 F CB 0.212 39.331 39.000 0.200 0.000 1.031 414 F HN 0.551 nan 8.300 nan 0.000 0.500 415 G N -0.962 108.076 108.800 0.397 0.000 2.466 415 G HA2 0.477 4.438 3.960 0.002 0.000 0.291 415 G HA3 0.477 4.438 3.960 0.002 0.000 0.291 415 G C -2.273 172.831 174.900 0.340 0.000 1.460 415 G CA -0.510 44.792 45.100 0.336 0.000 0.791 415 G HN -0.025 nan 8.290 nan 0.000 0.505 416 V N 0.211 120.333 119.914 0.346 0.000 2.638 416 V HA 0.693 4.814 4.120 0.002 0.000 0.306 416 V C -0.282 176.068 176.094 0.425 0.000 1.052 416 V CA -0.595 61.911 62.300 0.343 0.000 0.885 416 V CB 2.129 34.149 31.823 0.329 0.000 0.999 416 V HN 0.841 nan 8.190 nan 0.000 0.424 417 T N 4.642 119.414 114.554 0.363 0.000 2.772 417 T HA 0.397 4.749 4.350 0.002 0.000 0.288 417 T C -0.841 174.059 174.700 0.334 0.000 0.994 417 T CA -0.151 62.171 62.100 0.370 0.000 0.951 417 T CB 0.453 69.467 68.868 0.243 0.000 0.933 417 T HN 0.518 nan 8.240 nan 0.000 0.447 418 Y N 4.214 124.687 120.300 0.289 0.000 2.316 418 Y HA 0.555 5.106 4.550 0.002 0.000 0.331 418 Y C -0.578 175.414 175.900 0.155 0.000 1.083 418 Y CA -1.192 57.055 58.100 0.245 0.000 1.206 418 Y CB 0.579 39.285 38.460 0.410 0.000 1.195 418 Y HN 0.547 nan 8.280 nan 0.000 0.497 419 L N 7.994 128.852 121.223 -0.608 0.000 2.287 419 L HA 0.622 4.963 4.340 0.002 0.000 0.287 419 L C -0.945 175.390 176.870 -0.892 0.000 1.022 419 L CA -0.260 54.297 54.840 -0.472 0.000 0.814 419 L CB 0.706 42.590 42.059 -0.293 0.000 1.217 419 L HN 0.838 nan 8.230 nan 0.000 0.420 420 R N 3.828 124.091 120.500 -0.395 0.000 2.710 420 R HA 0.480 4.821 4.340 0.002 0.000 0.270 420 R C -1.771 174.613 176.300 0.140 0.000 1.021 420 R CA -1.033 55.039 56.100 -0.047 0.000 0.889 420 R CB 1.329 31.612 30.300 -0.027 0.000 1.243 420 R HN 0.635 nan 8.270 nan 0.000 0.464 421 L N 2.792 124.098 121.223 0.137 0.000 2.477 421 L HA 0.356 4.698 4.340 0.002 0.000 0.272 421 L C -0.944 175.969 176.870 0.071 0.000 1.157 421 L CA 1.072 55.972 54.840 0.100 0.000 0.889 421 L CB 0.673 42.777 42.059 0.074 0.000 1.158 421 L HN 0.776 nan 8.230 nan 0.000 0.473 422 S N 1.909 117.638 115.700 0.049 0.000 2.672 422 S HA 0.453 4.924 4.470 0.002 0.000 0.271 422 S C 0.214 174.790 174.600 -0.040 0.000 1.171 422 S CA -0.637 57.578 58.200 0.025 0.000 0.817 422 S CB 0.776 64.019 63.200 0.072 0.000 1.150 422 S HN 0.572 nan 8.310 nan 0.000 0.478 423 D N 0.845 121.215 120.400 -0.051 0.000 2.144 423 D HA -0.068 4.574 4.640 0.002 0.000 0.200 423 D C 0.867 177.091 176.300 -0.127 0.000 0.978 423 D CA 1.369 55.315 54.000 -0.091 0.000 0.833 423 D CB -0.346 40.413 40.800 -0.069 0.000 0.961 423 D HN 0.539 nan 8.370 nan 0.000 0.470 424 D N 0.777 121.101 120.400 -0.127 0.000 2.104 424 D HA -0.147 4.494 4.640 0.002 0.000 0.194 424 D C 2.156 178.240 176.300 -0.360 0.000 0.994 424 D CA 0.383 54.225 54.000 -0.264 0.000 0.830 424 D CB -0.435 40.183 40.800 -0.303 0.000 0.959 424 D HN 0.139 nan 8.370 nan 0.000 0.452 425 L N 0.129 121.237 121.223 -0.193 0.000 2.083 425 L HA -0.131 4.210 4.340 0.002 0.000 0.209 425 L C 1.709 178.510 176.870 -0.116 0.000 1.083 425 L CA 1.409 56.218 54.840 -0.051 0.000 0.752 425 L CB -0.351 41.766 42.059 0.096 0.000 0.899 425 L HN -0.035 nan 8.230 nan 0.000 0.433 426 L N -0.425 120.633 121.223 -0.275 0.000 2.552 426 L HA 0.059 4.400 4.340 0.002 0.000 0.227 426 L C 1.159 177.886 176.870 -0.239 0.000 1.146 426 L CA 0.576 55.120 54.840 -0.494 0.000 0.858 426 L CB -1.025 40.742 42.059 -0.487 0.000 0.969 426 L HN 0.347 nan 8.230 nan 0.000 0.451 427 Q N 0.051 119.771 119.800 -0.133 0.000 2.361 427 Q HA -0.083 4.258 4.340 0.002 0.000 0.276 427 Q C 1.282 177.298 176.000 0.026 0.000 1.022 427 Q CA 0.135 55.896 55.803 -0.070 0.000 0.898 427 Q CB 0.849 29.529 28.738 -0.096 0.000 1.246 427 Q HN 0.116 nan 8.270 nan 0.000 0.410 428 K N 1.293 121.714 120.400 0.036 0.000 2.030 428 K HA -0.349 3.972 4.320 0.002 0.000 0.222 428 K C 2.098 178.759 176.600 0.102 0.000 1.056 428 K CA 2.544 58.881 56.287 0.083 0.000 0.957 428 K CB -0.252 32.274 32.500 0.044 0.000 0.727 428 K HN 0.770 nan 8.250 nan 0.000 0.452 429 S N 0.518 116.255 115.700 0.062 0.000 2.356 429 S HA -0.155 4.316 4.470 0.002 0.000 0.223 429 S C 1.788 176.448 174.600 0.101 0.000 1.032 429 S CA 1.436 59.675 58.200 0.064 0.000 1.005 429 S CB -0.648 62.576 63.200 0.040 0.000 0.867 429 S HN 0.329 nan 8.310 nan 0.000 0.449 430 N N 1.131 119.886 118.700 0.092 0.000 2.069 430 N HA -0.027 4.714 4.740 0.002 0.000 0.191 430 N C 1.374 177.049 175.510 0.275 0.000 1.031 430 N CA 1.305 54.446 53.050 0.151 0.000 0.852 430 N CB -0.839 37.631 38.487 -0.028 0.000 1.018 430 N HN 0.449 nan 8.380 nan 0.000 0.423 431 F N 2.626 122.610 119.950 0.057 0.000 2.171 431 F HA -0.068 4.461 4.527 0.003 0.000 0.300 431 F C 2.188 178.057 175.800 0.115 0.000 1.090 431 F CA 0.846 58.902 58.000 0.093 0.000 1.293 431 F CB -0.616 38.400 39.000 0.027 0.000 1.013 431 F HN 0.104 nan 8.300 nan 0.000 0.486 432 N N 1.202 119.954 118.700 0.087 0.000 2.069 432 N HA -0.221 4.520 4.740 0.002 0.000 0.191 432 N C 1.985 177.453 175.510 -0.070 0.000 1.031 432 N CA 2.131 55.164 53.050 -0.029 0.000 0.852 432 N CB -0.317 38.182 38.487 0.020 0.000 1.018 432 N HN 0.400 nan 8.380 nan 0.000 0.423 433 I N -0.103 120.476 120.570 0.015 0.000 2.252 433 I HA -0.215 3.956 4.170 0.002 0.000 0.245 433 I C 2.251 178.241 176.117 -0.211 0.000 1.102 433 I CA 0.702 61.995 61.300 -0.011 0.000 1.385 433 I CB -0.520 37.583 38.000 0.171 0.000 1.064 433 I HN 0.031 nan 8.210 nan 0.000 0.414 434 F N 2.450 122.225 119.950 -0.291 0.000 2.091 434 F HA -0.257 4.272 4.527 0.003 0.000 0.299 434 F C 2.445 177.963 175.800 -0.471 0.000 1.103 434 F CA 1.795 59.502 58.000 -0.489 0.000 1.228 434 F CB -0.286 38.583 39.000 -0.218 0.000 0.984 434 F HN -0.140 nan 8.300 nan 0.000 0.477 435 K N 0.178 120.278 120.400 -0.500 0.000 2.103 435 K HA -0.195 4.126 4.320 0.002 0.000 0.207 435 K C 2.062 178.361 176.600 -0.502 0.000 1.048 435 K CA 1.747 57.700 56.287 -0.558 0.000 0.930 435 K CB -0.213 32.008 32.500 -0.465 0.000 0.716 435 K HN 0.323 nan 8.250 nan 0.000 0.444 436 K N 0.080 120.245 120.400 -0.391 0.000 2.097 436 K HA -0.135 4.186 4.320 0.002 0.000 0.205 436 K C 2.010 178.376 176.600 -0.391 0.000 1.050 436 K CA 1.073 57.172 56.287 -0.315 0.000 0.938 436 K CB -0.217 32.164 32.500 -0.198 0.000 0.718 436 K HN 0.102 nan 8.250 nan 0.000 0.442 437 F N 1.976 121.502 119.950 -0.707 0.000 2.126 437 F HA -0.217 4.311 4.527 0.002 0.000 0.299 437 F C 1.855 177.215 175.800 -0.734 0.000 1.096 437 F CA 1.145 58.684 58.000 -0.767 0.000 1.255 437 F CB -0.448 37.769 39.000 -1.305 0.000 0.997 437 F HN -0.300 nan 8.300 nan 0.000 0.479 438 V N 0.545 119.763 119.914 -1.160 0.000 2.343 438 V HA -0.262 3.859 4.120 0.002 0.000 0.247 438 V C 2.421 177.881 176.094 -1.057 0.000 1.051 438 V CA 1.733 63.274 62.300 -1.266 0.000 1.036 438 V CB -0.902 30.305 31.823 -1.025 0.000 0.654 438 V HN 0.460 nan 8.190 nan 0.000 0.451 439 L N 0.126 120.948 121.223 -0.669 0.000 2.017 439 L HA -0.141 4.200 4.340 0.002 0.000 0.208 439 L C 2.467 179.105 176.870 -0.387 0.000 1.073 439 L CA 1.986 56.574 54.840 -0.420 0.000 0.745 439 L CB -0.687 41.205 42.059 -0.280 0.000 0.894 439 L HN 0.139 nan 8.230 nan 0.000 0.432 440 K N -0.955 119.201 120.400 -0.406 0.000 2.057 440 K HA -0.080 4.241 4.320 0.002 0.000 0.206 440 K C 2.059 178.437 176.600 -0.371 0.000 1.050 440 K CA 1.282 57.383 56.287 -0.309 0.000 0.935 440 K CB -0.564 31.800 32.500 -0.227 0.000 0.715 440 K HN 0.323 nan 8.250 nan 0.000 0.439 441 M N 0.242 119.477 119.600 -0.608 0.000 2.213 441 M HA -0.134 4.347 4.480 0.002 0.000 0.263 441 M C 1.423 177.427 176.300 -0.494 0.000 1.062 441 M CA 1.552 56.493 55.300 -0.597 0.000 1.105 441 M CB -0.986 31.060 32.600 -0.922 0.000 1.385 441 M HN 0.295 nan 8.290 nan 0.000 0.417 442 H N -0.192 118.457 119.070 -0.702 0.000 2.547 442 H HA 0.296 4.853 4.556 0.002 0.000 0.274 442 H C 0.769 175.885 175.328 -0.353 0.000 1.024 442 H CA -0.012 55.531 56.048 -0.842 0.000 1.155 442 H CB 0.066 29.328 29.762 -0.834 0.000 1.344 442 H HN 0.470 nan 8.280 nan 0.000 0.598 443 A N 1.671 124.394 122.820 -0.161 0.000 2.687 443 A HA -0.281 4.040 4.320 0.002 0.000 0.299 443 A C 0.557 178.105 177.584 -0.059 0.000 1.497 443 A CA 0.812 52.797 52.037 -0.088 0.000 0.751 443 A CB -1.888 17.090 19.000 -0.038 0.000 1.048 443 A HN 0.780 nan 8.150 nan 0.000 0.464 444 D N -2.530 117.819 120.400 -0.085 0.000 3.046 444 D HA -0.176 4.465 4.640 0.002 0.000 0.210 444 D C 0.223 176.508 176.300 -0.026 0.000 1.124 444 D CA 1.991 55.952 54.000 -0.065 0.000 0.986 444 D CB -0.584 40.183 40.800 -0.054 0.000 1.118 444 D HN 0.887 nan 8.370 nan 0.000 0.416 445 Q N 0.737 120.545 119.800 0.013 0.000 2.214 445 Q HA 0.345 4.686 4.340 0.002 0.000 0.251 445 Q C 0.280 176.334 176.000 0.089 0.000 0.936 445 Q CA -0.355 55.480 55.803 0.053 0.000 0.894 445 Q CB 1.134 29.931 28.738 0.100 0.000 1.252 445 Q HN 0.057 nan 8.270 nan 0.000 0.448 446 D N 0.446 120.888 120.400 0.070 0.000 2.360 446 D HA 0.015 4.656 4.640 0.002 0.000 0.242 446 D C -0.180 176.210 176.300 0.151 0.000 1.184 446 D CA -0.189 53.874 54.000 0.105 0.000 0.930 446 D CB 0.283 41.123 40.800 0.068 0.000 1.161 446 D HN 0.350 nan 8.370 nan 0.000 0.447 447 Y N 0.609 120.963 120.300 0.090 0.000 2.904 447 Y HA -0.064 4.487 4.550 0.002 0.000 0.336 447 Y C -0.229 175.653 175.900 -0.031 0.000 1.263 447 Y CA -0.234 57.901 58.100 0.058 0.000 1.547 447 Y CB 0.287 38.785 38.460 0.064 0.000 1.272 447 Y HN 0.233 nan 8.280 nan 0.000 0.596 448 C N 7.696 126.412 119.300 -0.975 0.000 2.322 448 C HA 0.723 5.185 4.460 0.002 0.000 0.324 448 C C 1.156 175.534 174.990 -1.021 0.000 1.249 448 C CA -0.127 58.361 59.018 -0.883 0.000 1.453 448 C CB -0.595 26.632 27.740 -0.854 0.000 2.145 448 C HN 1.090 nan 8.230 nan 0.000 0.466 449 A N 4.432 126.819 122.820 -0.723 0.000 1.929 449 A HA 0.020 4.341 4.320 0.002 0.000 0.216 449 A C 1.147 178.616 177.584 -0.193 0.000 1.176 449 A CA 0.891 52.722 52.037 -0.344 0.000 0.628 449 A CB -0.442 18.531 19.000 -0.045 0.000 0.816 449 A HN 0.917 nan 8.150 nan 0.000 0.444 450 N N 0.275 118.833 118.700 -0.237 0.000 2.415 450 N HA 0.215 4.956 4.740 0.002 0.000 0.246 450 N C -2.144 173.097 175.510 -0.447 0.000 1.078 450 N CA -1.641 51.263 53.050 -0.243 0.000 0.942 450 N CB 1.173 39.541 38.487 -0.198 0.000 1.140 450 N HN -0.058 nan 8.380 nan 0.000 0.501 451 P HA -0.223 nan 4.420 nan 0.000 0.218 451 P C 1.144 177.945 177.300 -0.832 0.000 1.148 451 P CA 1.014 63.462 63.100 -1.087 0.000 0.822 451 P CB 0.156 31.567 31.700 -0.482 0.000 0.784 452 Q N 0.602 120.150 119.800 -0.420 0.000 2.197 452 Q HA -0.241 4.100 4.340 0.002 0.000 0.207 452 Q C 1.684 177.522 176.000 -0.270 0.000 0.984 452 Q CA 1.808 57.453 55.803 -0.263 0.000 0.869 452 Q CB -0.305 28.332 28.738 -0.169 0.000 0.906 452 Q HN 0.215 nan 8.270 nan 0.000 0.426 453 K N -0.104 120.094 120.400 -0.337 0.000 2.288 453 K HA -0.132 4.190 4.320 0.002 0.000 0.201 453 K C 0.484 176.972 176.600 -0.186 0.000 1.048 453 K CA 1.098 57.240 56.287 -0.242 0.000 0.956 453 K CB 0.099 32.456 32.500 -0.238 0.000 0.746 453 K HN 0.481 nan 8.250 nan 0.000 0.461 454 Y N -0.626 119.520 120.300 -0.256 0.000 2.781 454 Y HA 0.341 4.892 4.550 0.002 0.000 0.326 454 Y C -0.323 175.567 175.900 -0.017 0.000 1.019 454 Y CA -1.181 56.794 58.100 -0.209 0.000 1.372 454 Y CB -1.080 37.141 38.460 -0.399 0.000 1.260 454 Y HN 0.044 nan 8.280 nan 0.000 0.546 455 N N 1.319 120.034 118.700 0.024 0.000 2.710 455 N HA -0.283 4.458 4.740 0.002 0.000 0.249 455 N C -1.281 174.367 175.510 0.230 0.000 1.059 455 N CA 0.479 53.589 53.050 0.100 0.000 0.720 455 N CB -0.856 37.710 38.487 0.131 0.000 0.983 455 N HN 0.643 nan 8.380 nan 0.000 0.544 456 H N 0.068 119.049 119.070 -0.148 0.000 2.691 456 H HA 0.488 5.046 4.556 0.002 0.000 0.281 456 H C -0.112 175.187 175.328 -0.048 0.000 1.121 456 H CA 0.123 56.143 56.048 -0.046 0.000 1.254 456 H CB 1.074 30.747 29.762 -0.148 0.000 1.390 456 H HN 0.365 nan 8.280 nan 0.000 0.491 457 A N 3.875 126.747 122.820 0.086 0.000 2.438 457 A HA 0.275 4.596 4.320 0.002 0.000 0.280 457 A C 0.233 177.856 177.584 0.066 0.000 1.160 457 A CA -0.375 51.687 52.037 0.042 0.000 0.821 457 A CB -0.928 18.088 19.000 0.026 0.000 1.101 457 A HN 0.686 nan 8.150 nan 0.000 0.515 458 I N 3.177 123.774 120.570 0.045 0.000 2.297 458 I HA 0.634 4.805 4.170 0.002 0.000 0.291 458 I C 0.164 176.300 176.117 0.032 0.000 1.033 458 I CA 0.250 61.586 61.300 0.061 0.000 1.253 458 I CB 0.948 38.984 38.000 0.059 0.000 1.396 458 I HN 0.550 nan 8.210 nan 0.000 0.476 459 T N 3.789 118.361 114.554 0.030 0.000 2.865 459 T HA 0.699 5.050 4.350 0.002 0.000 0.294 459 T C -2.996 171.711 174.700 0.012 0.000 1.119 459 T CA -2.123 59.984 62.100 0.011 0.000 1.007 459 T CB 1.353 70.216 68.868 -0.008 0.000 1.225 459 T HN 0.322 nan 8.240 nan 0.000 0.515 460 P HA 0.269 nan 4.420 nan 0.000 0.268 460 P C -0.533 176.767 177.300 0.001 0.000 1.204 460 P CA -0.604 62.504 63.100 0.014 0.000 0.768 460 P CB 0.200 31.905 31.700 0.008 0.000 0.842 461 L N 4.385 125.626 121.223 0.030 0.000 2.462 461 L HA 0.092 4.433 4.340 0.002 0.000 0.272 461 L C 0.323 177.200 176.870 0.011 0.000 1.166 461 L CA 0.718 55.578 54.840 0.033 0.000 0.880 461 L CB -0.310 41.812 42.059 0.106 0.000 1.142 461 L HN 0.177 nan 8.230 nan 0.000 0.473 462 K N 6.919 127.273 120.400 -0.077 0.000 2.098 462 K HA 0.471 4.792 4.320 0.002 0.000 0.261 462 K C -2.324 174.321 176.600 0.076 0.000 0.987 462 K CA -1.782 54.458 56.287 -0.079 0.000 0.916 462 K CB 0.662 33.005 32.500 -0.261 0.000 1.039 462 K HN 0.472 nan 8.250 nan 0.000 0.455 463 P HA 0.006 nan 4.420 nan 0.000 0.270 463 P C -0.442 177.000 177.300 0.237 0.000 1.227 463 P CA -0.108 63.077 63.100 0.141 0.000 0.788 463 P CB 0.380 32.129 31.700 0.081 0.000 0.926 464 S N 0.024 115.814 115.700 0.149 0.000 2.558 464 S HA 0.276 4.747 4.470 0.002 0.000 0.288 464 S C 0.770 175.358 174.600 -0.020 0.000 1.318 464 S CA -0.273 57.927 58.200 0.001 0.000 1.056 464 S CB 0.059 63.213 63.200 -0.076 0.000 0.853 464 S HN 0.667 nan 8.310 nan 0.000 0.505 465 A N 4.022 126.765 122.820 -0.127 0.000 2.310 465 A HA 0.533 4.854 4.320 0.002 0.000 0.260 465 A C -2.290 175.242 177.584 -0.086 0.000 1.112 465 A CA -1.430 50.572 52.037 -0.057 0.000 0.804 465 A CB -0.810 18.146 19.000 -0.073 0.000 1.081 465 A HN 0.548 nan 8.150 nan 0.000 0.499 466 P HA 0.016 nan 4.420 nan 0.000 0.266 466 P C -0.245 177.018 177.300 -0.062 0.000 1.193 466 P CA -0.111 62.964 63.100 -0.041 0.000 0.770 466 P CB 0.359 32.046 31.700 -0.022 0.000 0.836 467 K N 2.643 123.016 120.400 -0.044 0.000 2.524 467 K HA 0.079 4.400 4.320 0.002 0.000 0.279 467 K C -0.061 176.520 176.600 -0.031 0.000 0.993 467 K CA 0.499 56.763 56.287 -0.039 0.000 1.030 467 K CB -0.078 32.415 32.500 -0.012 0.000 0.891 467 K HN 0.416 nan 8.250 nan 0.000 0.488 468 I N 7.284 127.835 120.570 -0.032 0.000 2.330 468 I HA 0.172 4.343 4.170 0.002 0.000 0.289 468 I C -1.747 174.368 176.117 -0.003 0.000 1.001 468 I CA -2.200 59.089 61.300 -0.019 0.000 1.193 468 I CB 1.646 39.631 38.000 -0.024 0.000 1.345 468 I HN 0.404 nan 8.210 nan 0.000 0.461 469 P HA -0.021 nan 4.420 nan 0.000 0.266 469 P C 0.906 178.214 177.300 0.013 0.000 1.195 469 P CA -0.167 62.940 63.100 0.012 0.000 0.768 469 P CB 1.388 33.096 31.700 0.014 0.000 0.838 470 I N 2.825 123.405 120.570 0.018 0.000 2.185 470 I HA -0.305 3.866 4.170 0.002 0.000 0.246 470 I C 2.168 178.295 176.117 0.017 0.000 1.088 470 I CA 1.915 63.226 61.300 0.017 0.000 1.347 470 I CB -0.714 37.299 38.000 0.022 0.000 1.041 470 I HN 0.508 nan 8.210 nan 0.000 0.415 471 E N 0.010 120.223 120.200 0.021 0.000 2.204 471 E HA -0.156 4.195 4.350 0.002 0.000 0.195 471 E C 2.065 178.673 176.600 0.014 0.000 0.990 471 E CA 1.786 58.198 56.400 0.020 0.000 0.821 471 E CB -1.008 28.707 29.700 0.025 0.000 0.750 471 E HN 0.428 nan 8.360 nan 0.000 0.477 472 V N 1.513 121.435 119.914 0.012 0.000 2.591 472 V HA -0.151 3.970 4.120 0.002 0.000 0.249 472 V C 2.590 178.688 176.094 0.007 0.000 1.053 472 V CA 0.997 63.303 62.300 0.010 0.000 1.068 472 V CB -0.448 31.380 31.823 0.009 0.000 0.689 472 V HN 0.167 nan 8.190 nan 0.000 0.462 473 L N -0.587 120.639 121.223 0.006 0.000 2.056 473 L HA -0.125 4.216 4.340 0.002 0.000 0.207 473 L C 2.267 179.136 176.870 -0.003 0.000 1.078 473 L CA 1.463 56.304 54.840 0.003 0.000 0.749 473 L CB -0.402 41.660 42.059 0.004 0.000 0.901 473 L HN 0.287 nan 8.230 nan 0.000 0.433 474 L N -0.592 120.630 121.223 -0.003 0.000 2.456 474 L HA -0.143 4.198 4.340 0.002 0.000 0.224 474 L C 2.157 179.017 176.870 -0.017 0.000 1.148 474 L CA 0.689 55.521 54.840 -0.012 0.000 0.825 474 L CB -0.470 41.587 42.059 -0.004 0.000 0.937 474 L HN 0.340 nan 8.230 nan 0.000 0.450 475 E N 0.609 120.805 120.200 -0.007 0.000 2.268 475 E HA -0.145 4.206 4.350 0.002 0.000 0.195 475 E C 2.058 178.650 176.600 -0.013 0.000 0.995 475 E CA 0.831 57.227 56.400 -0.007 0.000 0.836 475 E CB 0.018 29.720 29.700 0.003 0.000 0.763 475 E HN 0.477 nan 8.360 nan 0.000 0.491 476 A N 0.999 123.810 122.820 -0.015 0.000 2.235 476 A HA -0.071 4.250 4.320 0.002 0.000 0.208 476 A C 2.130 179.690 177.584 -0.039 0.000 1.172 476 A CA 1.169 53.194 52.037 -0.019 0.000 0.786 476 A CB -0.605 18.388 19.000 -0.012 0.000 0.804 476 A HN 0.304 nan 8.150 nan 0.000 0.479 477 T N -2.401 112.121 114.554 -0.053 0.000 3.088 477 T HA 0.055 4.406 4.350 0.002 0.000 0.259 477 T C 0.849 175.502 174.700 -0.079 0.000 1.122 477 T CA 0.288 62.337 62.100 -0.085 0.000 1.095 477 T CB -0.400 68.397 68.868 -0.117 0.000 0.930 477 T HN 0.413 nan 8.240 nan 0.000 0.508 478 K N 3.102 123.469 120.400 -0.054 0.000 2.453 478 K HA 0.113 4.434 4.320 0.002 0.000 0.280 478 K C -2.567 174.004 176.600 -0.048 0.000 1.045 478 K CA -1.532 54.728 56.287 -0.045 0.000 1.059 478 K CB 0.158 32.641 32.500 -0.028 0.000 0.901 478 K HN 0.127 nan 8.250 nan 0.000 0.475 479 P HA -0.024 nan 4.420 nan 0.000 0.265 479 P C -1.187 176.088 177.300 -0.041 0.000 1.193 479 P CA 0.109 63.182 63.100 -0.046 0.000 0.765 479 P CB 0.777 32.453 31.700 -0.040 0.000 0.823 480 T N 0.163 114.688 114.554 -0.050 0.000 2.993 480 T HA 0.427 4.778 4.350 0.002 0.000 0.312 480 T C -0.467 174.187 174.700 -0.076 0.000 1.115 480 T CA -1.181 60.880 62.100 -0.066 0.000 1.027 480 T CB 1.162 69.976 68.868 -0.090 0.000 1.116 480 T HN 0.201 nan 8.240 nan 0.000 0.464 481 R N 2.986 123.444 120.500 -0.070 0.000 2.570 481 R HA 0.328 4.669 4.340 0.002 0.000 0.277 481 R C -1.842 174.388 176.300 -0.117 0.000 1.039 481 R CA -1.097 54.969 56.100 -0.057 0.000 1.065 481 R CB 0.333 30.617 30.300 -0.026 0.000 0.964 481 R HN 0.528 nan 8.270 nan 0.000 0.428 482 P HA 0.008 nan 4.420 nan 0.000 0.274 482 P C -0.695 176.628 177.300 0.038 0.000 1.246 482 P CA -0.114 62.953 63.100 -0.054 0.000 0.795 482 P CB 0.450 32.156 31.700 0.010 0.000 1.006 483 F N 1.200 121.346 119.950 0.327 0.000 2.496 483 F HA 0.163 4.691 4.527 0.002 0.000 0.344 483 F C -1.081 174.955 175.800 0.393 0.000 1.155 483 F CA -1.510 56.675 58.000 0.310 0.000 1.302 483 F CB -0.970 38.210 39.000 0.300 0.000 1.159 483 F HN 0.228 nan 8.300 nan 0.000 0.595 484 P HA -0.062 nan 4.420 nan 0.000 0.271 484 P C -0.683 176.866 177.300 0.415 0.000 1.216 484 P CA -0.127 63.192 63.100 0.365 0.000 0.771 484 P CB 0.717 32.548 31.700 0.218 0.000 0.864 485 W N 3.172 124.544 121.300 0.121 0.000 2.578 485 W HA 0.360 5.021 4.660 0.002 0.000 0.346 485 W C 0.001 176.563 176.519 0.072 0.000 1.075 485 W CA -0.847 56.562 57.345 0.106 0.000 1.233 485 W CB 1.947 31.470 29.460 0.106 0.000 1.358 485 W HN 0.237 nan 8.180 nan 0.000 0.574 486 L N 1.863 123.175 121.223 0.148 0.000 2.453 486 L HA -0.031 4.310 4.340 0.002 0.000 0.261 486 L C 1.298 178.282 176.870 0.189 0.000 1.179 486 L CA 0.213 55.120 54.840 0.111 0.000 0.813 486 L CB 0.563 42.639 42.059 0.028 0.000 1.110 486 L HN 0.469 nan 8.230 nan 0.000 0.466 487 D N 0.162 120.641 120.400 0.132 0.000 2.183 487 D HA -0.024 4.617 4.640 0.002 0.000 0.205 487 D C -0.147 176.218 176.300 0.110 0.000 0.962 487 D CA 1.090 55.163 54.000 0.123 0.000 0.849 487 D CB 0.537 41.388 40.800 0.084 0.000 0.978 487 D HN 0.513 nan 8.370 nan 0.000 0.488 488 E N -0.626 119.626 120.200 0.087 0.000 2.314 488 E HA 0.250 4.601 4.350 0.002 0.000 0.272 488 E C -0.818 175.817 176.600 0.058 0.000 0.884 488 E CA -0.595 55.848 56.400 0.072 0.000 0.753 488 E CB 1.936 31.666 29.700 0.050 0.000 1.213 488 E HN -0.134 nan 8.360 nan 0.000 0.432 489 T N 0.221 114.810 114.554 0.058 0.000 2.802 489 T HA -0.011 4.341 4.350 0.002 0.000 0.305 489 T C 0.687 175.395 174.700 0.014 0.000 1.053 489 T CA -0.044 62.076 62.100 0.033 0.000 1.058 489 T CB 0.380 69.273 68.868 0.041 0.000 0.988 489 T HN 0.621 nan 8.240 nan 0.000 0.539 490 D N 1.521 121.917 120.400 -0.007 0.000 2.349 490 D HA 0.046 4.687 4.640 0.002 0.000 0.214 490 D C 0.404 176.692 176.300 -0.020 0.000 1.063 490 D CA 0.151 54.143 54.000 -0.014 0.000 0.847 490 D CB 0.119 40.903 40.800 -0.025 0.000 0.933 490 D HN 0.335 nan 8.370 nan 0.000 0.513 491 M N 0.959 120.547 119.600 -0.020 0.000 2.944 491 M HA 0.297 4.778 4.480 0.002 0.000 0.235 491 M C -0.581 175.708 176.300 -0.019 0.000 1.188 491 M CA -0.587 54.693 55.300 -0.034 0.000 0.688 491 M CB 0.939 33.503 32.600 -0.059 0.000 1.406 491 M HN -0.268 nan 8.290 nan 0.000 0.479 492 K N 0.588 120.986 120.400 -0.003 0.000 2.319 492 K HA 0.111 4.432 4.320 0.002 0.000 0.265 492 K C 1.507 178.106 176.600 -0.001 0.000 1.000 492 K CA -0.055 56.242 56.287 0.016 0.000 0.943 492 K CB 1.056 33.568 32.500 0.020 0.000 0.950 492 K HN 0.316 nan 8.250 nan 0.000 0.485 493 V N -1.127 118.798 119.914 0.020 0.000 2.594 493 V HA -0.227 3.894 4.120 0.002 0.000 0.253 493 V C 0.429 176.509 176.094 -0.022 0.000 1.069 493 V CA 1.788 64.079 62.300 -0.016 0.000 1.082 493 V CB -0.723 31.108 31.823 0.012 0.000 0.680 493 V HN 0.721 nan 8.190 nan 0.000 0.469 494 D N 1.642 122.043 120.400 0.001 0.000 2.567 494 D HA 0.446 5.087 4.640 0.002 0.000 0.272 494 D C 1.218 177.512 176.300 -0.010 0.000 1.208 494 D CA 0.415 54.413 54.000 -0.003 0.000 1.046 494 D CB -1.028 39.779 40.800 0.011 0.000 0.949 494 D HN 0.480 nan 8.370 nan 0.000 0.264 495 G N 0.000 108.798 108.800 -0.003 0.000 5.446 495 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 495 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 495 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 495 G HN 0.000 nan 8.290 nan 0.000 0.925