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 1q6c_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 VLSGGWREDI RVAGENALPR YDATAYNQII LNARPQGVNN DATA SEQUENCE NGPPKLSMFG VTYLRLSDDL LQKSNFNIFK KFVLKMHADQ DYCANPQKYN DATA SEQUENCE HAITPLKPSA PKIPIEVLLE ATKPTLPFPW LPETDMKVDG 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 0.000 175.497 175.510 -0.021 0.000 1.280 6 N CA 0.000 53.036 53.050 -0.023 0.000 0.885 6 N CB 0.000 38.472 38.487 -0.026 0.000 1.341 7 M N 1.889 121.476 119.600 -0.022 0.000 2.267 7 M HA -0.099 4.381 4.480 0.001 0.000 0.263 7 M C 1.761 178.055 176.300 -0.009 0.000 1.063 7 M CA 0.942 56.230 55.300 -0.021 0.000 1.090 7 M CB -0.719 31.867 32.600 -0.025 0.000 1.392 7 M HN 0.573 nan 8.290 nan 0.000 0.422 8 L N 0.269 121.487 121.223 -0.008 0.000 2.261 8 L HA -0.156 4.184 4.340 0.001 0.000 0.216 8 L C 1.881 178.765 176.870 0.024 0.000 1.114 8 L CA 1.276 56.116 54.840 -0.001 0.000 0.777 8 L CB -0.830 41.205 42.059 -0.040 0.000 0.910 8 L HN 0.176 nan 8.230 nan 0.000 0.440 9 L N -0.792 120.442 121.223 0.018 0.000 2.552 9 L HA -0.028 4.312 4.340 0.001 0.000 0.227 9 L C 1.846 178.734 176.870 0.031 0.000 1.146 9 L CA 1.045 55.907 54.840 0.037 0.000 0.858 9 L CB -0.801 41.266 42.059 0.014 0.000 0.969 9 L HN 0.377 nan 8.230 nan 0.000 0.451 10 N N -1.978 116.726 118.700 0.006 0.000 2.280 10 N HA -0.067 4.673 4.740 0.001 0.000 0.192 10 N C -0.074 175.411 175.510 -0.041 0.000 1.109 10 N CA -0.067 52.968 53.050 -0.026 0.000 0.855 10 N CB 0.370 38.827 38.487 -0.050 0.000 0.974 10 N HN 0.194 nan 8.380 nan 0.000 0.482 11 Y N 2.021 122.185 120.300 -0.228 0.000 2.632 11 Y HA 0.014 4.564 4.550 0.001 0.000 0.329 11 Y C -0.158 175.449 175.900 -0.487 0.000 1.174 11 Y CA 0.259 58.108 58.100 -0.419 0.000 1.469 11 Y CB 0.446 38.499 38.460 -0.680 0.000 1.242 11 Y HN -0.289 nan 8.280 nan 0.000 0.540 12 V N 9.661 129.340 119.914 -0.392 0.000 2.378 12 V HA 0.307 4.428 4.120 0.001 0.000 0.288 12 V C -2.093 173.777 176.094 -0.373 0.000 1.016 12 V CA -2.068 60.067 62.300 -0.274 0.000 0.840 12 V CB 1.422 33.158 31.823 -0.144 0.000 0.994 12 V HN 0.713 nan 8.190 nan 0.000 0.431 13 P HA 0.128 nan 4.420 nan 0.000 0.269 13 P C -0.768 176.321 177.300 -0.351 0.000 1.209 13 P CA 0.152 63.080 63.100 -0.287 0.000 0.776 13 P CB 1.309 32.885 31.700 -0.207 0.000 0.876 14 V N 3.993 123.644 119.914 -0.438 0.000 2.448 14 V HA 0.354 4.475 4.120 0.001 0.000 0.295 14 V C -0.416 175.425 176.094 -0.421 0.000 1.025 14 V CA -0.386 61.697 62.300 -0.361 0.000 0.859 14 V CB 0.905 32.465 31.823 -0.438 0.000 0.988 14 V HN 0.425 nan 8.190 nan 0.000 0.431 15 Y N 2.628 123.038 120.300 0.183 0.000 2.549 15 Y HA 0.783 5.333 4.550 0.001 0.000 0.339 15 Y C -0.067 176.007 175.900 0.289 0.000 1.053 15 Y CA -1.128 57.096 58.100 0.208 0.000 1.105 15 Y CB 2.158 40.720 38.460 0.171 0.000 1.258 15 Y HN 0.327 nan 8.280 nan 0.000 0.478 16 V N 3.141 123.308 119.914 0.422 0.000 2.588 16 V HA 0.343 4.464 4.120 0.001 0.000 0.304 16 V C -0.270 175.990 176.094 0.276 0.000 1.042 16 V CA -1.128 61.405 62.300 0.388 0.000 0.877 16 V CB 1.707 33.734 31.823 0.341 0.000 0.996 16 V HN 0.741 nan 8.190 nan 0.000 0.425 17 M N 4.728 124.466 119.600 0.230 0.000 2.238 17 M HA 0.358 4.838 4.480 0.001 0.000 0.347 17 M C -0.279 176.105 176.300 0.139 0.000 1.173 17 M CA 0.156 55.546 55.300 0.149 0.000 1.147 17 M CB 0.511 33.170 32.600 0.099 0.000 1.547 17 M HN 0.435 nan 8.290 nan 0.000 0.455 18 L N 3.217 124.513 121.223 0.121 0.000 2.468 18 L HA 0.376 4.717 4.340 0.001 0.000 0.254 18 L C -2.050 174.893 176.870 0.122 0.000 1.171 18 L CA -2.014 52.897 54.840 0.118 0.000 0.809 18 L CB 0.167 42.291 42.059 0.108 0.000 1.155 18 L HN 0.343 nan 8.230 nan 0.000 0.473 19 P HA 0.092 nan 4.420 nan 0.000 0.269 19 P C -0.719 176.674 177.300 0.155 0.000 1.209 19 P CA -0.174 62.997 63.100 0.119 0.000 0.776 19 P CB 0.433 32.194 31.700 0.101 0.000 0.876 20 L N 1.840 123.160 121.223 0.161 0.000 2.416 20 L HA 0.309 4.650 4.340 0.001 0.000 0.272 20 L C 1.606 178.577 176.870 0.169 0.000 1.161 20 L CA 0.554 55.529 54.840 0.225 0.000 0.845 20 L CB -0.484 41.691 42.059 0.193 0.000 1.119 20 L HN 0.774 nan 8.230 nan 0.000 0.464 21 G N 1.992 110.917 108.800 0.208 0.000 2.143 21 G HA2 -0.268 3.692 3.960 0.001 0.000 0.248 21 G HA3 -0.268 3.692 3.960 0.001 0.000 0.248 21 G C 0.694 175.671 174.900 0.128 0.000 0.991 21 G CA 0.334 45.500 45.100 0.110 0.000 0.689 21 G HN 0.576 nan 8.290 nan 0.000 0.522 22 V N -0.169 119.843 119.914 0.163 0.000 2.469 22 V HA 0.084 4.204 4.120 0.001 0.000 0.251 22 V C 1.586 177.777 176.094 0.162 0.000 1.064 22 V CA 2.547 64.944 62.300 0.161 0.000 1.066 22 V CB 0.074 31.977 31.823 0.134 0.000 0.667 22 V HN 1.469 nan 8.190 nan 0.000 0.461 23 V N 0.862 120.819 119.914 0.072 0.000 2.409 23 V HA 0.598 4.719 4.120 0.001 0.000 0.291 23 V C -0.207 175.928 176.094 0.068 0.000 1.020 23 V CA -0.877 61.431 62.300 0.014 0.000 0.848 23 V CB 1.025 32.665 31.823 -0.304 0.000 0.990 23 V HN 0.647 nan 8.190 nan 0.000 0.430 24 N N 3.723 122.461 118.700 0.063 0.000 2.317 24 N HA 0.117 4.857 4.740 0.001 0.000 0.245 24 N C 0.874 176.397 175.510 0.022 0.000 1.294 24 N CA 0.167 53.236 53.050 0.031 0.000 0.924 24 N CB 1.062 39.562 38.487 0.021 0.000 1.186 24 N HN 0.432 nan 8.380 nan 0.000 0.495 25 V N -0.574 119.327 119.914 -0.021 0.000 2.867 25 V HA -0.155 3.965 4.120 0.001 0.000 0.260 25 V C 0.433 176.529 176.094 0.005 0.000 1.099 25 V CA 1.757 64.038 62.300 -0.032 0.000 1.122 25 V CB -0.796 30.984 31.823 -0.072 0.000 0.708 25 V HN 0.610 nan 8.190 nan 0.000 0.490 26 D N 0.309 120.719 120.400 0.017 0.000 2.328 26 D HA 0.052 4.693 4.640 0.001 0.000 0.221 26 D C 0.667 176.996 176.300 0.049 0.000 1.072 26 D CA 0.118 54.134 54.000 0.027 0.000 0.850 26 D CB -0.158 40.654 40.800 0.020 0.000 0.922 26 D HN 0.476 nan 8.370 nan 0.000 0.516 27 N N 0.565 119.306 118.700 0.067 0.000 2.746 27 N HA -0.170 4.570 4.740 0.001 0.000 0.250 27 N C -1.462 174.097 175.510 0.083 0.000 1.055 27 N CA 0.220 53.325 53.050 0.093 0.000 0.699 27 N CB -1.260 37.289 38.487 0.104 0.000 0.919 27 N HN -0.042 nan 8.380 nan 0.000 0.548 28 V N 2.238 122.198 119.914 0.076 0.000 2.531 28 V HA 0.367 4.487 4.120 0.001 0.000 0.301 28 V C 0.070 176.252 176.094 0.146 0.000 1.034 28 V CA -0.924 61.432 62.300 0.094 0.000 0.865 28 V CB 1.486 33.346 31.823 0.063 0.000 0.995 28 V HN 0.221 nan 8.190 nan 0.000 0.424 29 F N 4.635 124.566 119.950 -0.033 0.000 2.651 29 F HA 0.325 4.852 4.527 0.001 0.000 0.347 29 F C 1.372 177.159 175.800 -0.022 0.000 1.284 29 F CA -0.594 57.377 58.000 -0.048 0.000 1.175 29 F CB -0.501 38.471 39.000 -0.048 0.000 1.542 29 F HN 0.755 nan 8.300 nan 0.000 0.661 30 E N 1.767 122.020 120.200 0.089 0.000 2.037 30 E HA -0.293 4.058 4.350 0.001 0.000 0.214 30 E C 0.145 176.630 176.600 -0.191 0.000 1.041 30 E CA 1.964 58.337 56.400 -0.044 0.000 0.872 30 E CB -0.060 29.646 29.700 0.010 0.000 0.785 30 E HN 0.478 nan 8.360 nan 0.000 0.476 31 D N -0.639 119.619 120.400 -0.236 0.000 2.434 31 D HA 0.146 4.786 4.640 0.001 0.000 0.275 31 D C -2.156 173.890 176.300 -0.424 0.000 1.172 31 D CA -2.116 51.724 54.000 -0.266 0.000 0.916 31 D CB 1.095 41.825 40.800 -0.116 0.000 1.041 31 D HN -0.198 nan 8.370 nan 0.000 0.501 32 P HA -0.093 nan 4.420 nan 0.000 0.215 32 P C 0.851 178.020 177.300 -0.219 0.000 1.157 32 P CA 0.869 63.562 63.100 -0.677 0.000 0.868 32 P CB 0.352 31.682 31.700 -0.617 0.000 0.788 33 D N -0.736 119.562 120.400 -0.170 0.000 2.123 33 D HA -0.117 4.524 4.640 0.001 0.000 0.196 33 D C 2.240 178.505 176.300 -0.058 0.000 0.992 33 D CA 1.749 55.699 54.000 -0.083 0.000 0.833 33 D CB -1.056 39.700 40.800 -0.073 0.000 0.954 33 D HN 0.196 nan 8.370 nan 0.000 0.455 34 G N 1.437 110.195 108.800 -0.071 0.000 2.421 34 G HA2 -0.205 3.755 3.960 0.001 0.000 0.216 34 G HA3 -0.205 3.755 3.960 0.001 0.000 0.216 34 G C 1.702 176.594 174.900 -0.013 0.000 1.171 34 G CA 0.095 45.170 45.100 -0.041 0.000 0.775 34 G HN 0.216 nan 8.290 nan 0.000 0.543 35 L N 0.264 121.493 121.223 0.009 0.000 2.046 35 L HA -0.063 4.277 4.340 0.001 0.000 0.208 35 L C 2.886 179.794 176.870 0.065 0.000 1.077 35 L CA 1.927 56.811 54.840 0.073 0.000 0.747 35 L CB -0.340 41.834 42.059 0.192 0.000 0.896 35 L HN 0.306 nan 8.230 nan 0.000 0.432 36 K N 0.355 120.785 120.400 0.051 0.000 2.044 36 K HA -0.268 4.052 4.320 0.001 0.000 0.210 36 K C 1.934 178.548 176.600 0.024 0.000 1.049 36 K CA 2.204 58.520 56.287 0.047 0.000 0.927 36 K CB -0.140 32.379 32.500 0.032 0.000 0.713 36 K HN 0.583 nan 8.250 nan 0.000 0.443 37 E N 0.305 120.506 120.200 0.003 0.000 2.085 37 E HA -0.286 4.064 4.350 0.001 0.000 0.194 37 E C 2.019 178.604 176.600 -0.024 0.000 0.994 37 E CA 1.361 57.753 56.400 -0.013 0.000 0.801 37 E CB -0.313 29.370 29.700 -0.027 0.000 0.743 37 E HN 0.467 nan 8.360 nan 0.000 0.453 38 Q N 0.091 119.877 119.800 -0.023 0.000 2.046 38 Q HA -0.128 4.212 4.340 0.001 0.000 0.200 38 Q C 2.305 178.301 176.000 -0.007 0.000 0.975 38 Q CA 1.152 56.931 55.803 -0.041 0.000 0.836 38 Q CB -0.094 28.630 28.738 -0.024 0.000 0.896 38 Q HN 0.223 nan 8.270 nan 0.000 0.428 39 L N 0.565 121.806 121.223 0.030 0.000 2.042 39 L HA -0.194 4.146 4.340 0.001 0.000 0.210 39 L C 2.119 179.015 176.870 0.045 0.000 1.076 39 L CA 1.619 56.491 54.840 0.052 0.000 0.749 39 L CB -0.747 41.353 42.059 0.068 0.000 0.893 39 L HN 0.247 nan 8.230 nan 0.000 0.432 40 L N -1.391 119.851 121.223 0.031 0.000 2.131 40 L HA -0.219 4.121 4.340 0.001 0.000 0.210 40 L C 2.628 179.522 176.870 0.041 0.000 1.092 40 L CA 0.785 55.642 54.840 0.029 0.000 0.759 40 L CB -0.532 41.539 42.059 0.021 0.000 0.903 40 L HN 0.370 nan 8.230 nan 0.000 0.435 41 Q N -0.344 119.474 119.800 0.029 0.000 2.084 41 Q HA -0.173 4.167 4.340 0.001 0.000 0.202 41 Q C 2.337 178.471 176.000 0.223 0.000 0.978 41 Q CA 1.291 57.130 55.803 0.059 0.000 0.844 41 Q CB -0.291 28.359 28.738 -0.147 0.000 0.898 41 Q HN 0.363 nan 8.270 nan 0.000 0.426 42 L N 0.696 122.024 121.223 0.174 0.000 2.046 42 L HA -0.168 4.172 4.340 0.001 0.000 0.208 42 L C 2.507 179.446 176.870 0.115 0.000 1.077 42 L CA 1.546 56.522 54.840 0.225 0.000 0.747 42 L CB -0.995 41.162 42.059 0.163 0.000 0.896 42 L HN 0.132 nan 8.230 nan 0.000 0.432 43 R N 0.398 120.922 120.500 0.041 0.000 2.083 43 R HA -0.134 4.207 4.340 0.001 0.000 0.237 43 R C 2.127 178.381 176.300 -0.077 0.000 1.137 43 R CA 1.862 57.924 56.100 -0.064 0.000 0.951 43 R CB -0.845 29.430 30.300 -0.042 0.000 0.851 43 R HN 0.306 nan 8.270 nan 0.000 0.434 44 A N -0.211 122.616 122.820 0.012 0.000 2.067 44 A HA 0.077 4.397 4.320 0.001 0.000 0.219 44 A C 2.143 179.737 177.584 0.017 0.000 1.158 44 A CA 1.462 53.513 52.037 0.023 0.000 0.661 44 A CB -0.677 18.364 19.000 0.069 0.000 0.801 44 A HN 0.485 nan 8.150 nan 0.000 0.452 45 A N -2.008 120.839 122.820 0.045 0.000 2.208 45 A HA 0.415 4.735 4.320 0.001 0.000 0.209 45 A C 1.781 179.301 177.584 -0.107 0.000 1.161 45 A CA 1.217 53.226 52.037 -0.047 0.000 0.782 45 A CB -0.677 18.306 19.000 -0.029 0.000 0.816 45 A HN 1.782 nan 8.150 nan 0.000 0.477 46 G N -1.633 107.111 108.800 -0.094 0.000 2.176 46 G HA2 -0.197 3.763 3.960 0.001 0.000 0.232 46 G HA3 -0.197 3.763 3.960 0.001 0.000 0.232 46 G C 0.223 175.117 174.900 -0.011 0.000 0.986 46 G CA -0.004 45.063 45.100 -0.056 0.000 0.643 46 G HN 0.749 nan 8.290 nan 0.000 0.522 47 V N 1.207 121.085 119.914 -0.060 0.000 2.617 47 V HA 0.157 4.277 4.120 0.001 0.000 0.304 47 V C 1.575 177.673 176.094 0.007 0.000 1.040 47 V CA 1.410 63.708 62.300 -0.002 0.000 1.149 47 V CB 0.963 32.853 31.823 0.113 0.000 0.914 47 V HN 0.430 nan 8.190 nan 0.000 0.487 48 D N 2.446 122.876 120.400 0.050 0.000 2.149 48 D HA 0.254 4.894 4.640 0.001 0.000 0.201 48 D C 0.897 177.289 176.300 0.153 0.000 0.972 48 D CA 1.440 55.527 54.000 0.146 0.000 0.835 48 D CB 0.139 40.926 40.800 -0.021 0.000 0.966 48 D HN 0.786 nan 8.370 nan 0.000 0.476 49 G N -1.105 107.790 108.800 0.159 0.000 2.554 49 G HA2 0.508 4.468 3.960 0.001 0.000 0.306 49 G HA3 0.508 4.468 3.960 0.001 0.000 0.306 49 G C -1.574 173.559 174.900 0.388 0.000 1.320 49 G CA -0.301 45.012 45.100 0.355 0.000 0.800 49 G HN 0.214 nan 8.290 nan 0.000 0.481 50 V N -2.752 117.353 119.914 0.318 0.000 3.141 50 V HA 0.911 5.032 4.120 0.001 0.000 0.312 50 V C -0.340 175.853 176.094 0.165 0.000 1.157 50 V CA -1.084 61.362 62.300 0.243 0.000 1.041 50 V CB 2.015 33.936 31.823 0.164 0.000 1.071 50 V HN 1.080 nan 8.190 nan 0.000 0.441 51 M N 2.432 122.109 119.600 0.128 0.000 2.393 51 M HA 0.856 5.336 4.480 0.001 0.000 0.316 51 M C -2.000 174.324 176.300 0.040 0.000 1.087 51 M CA -0.698 54.631 55.300 0.048 0.000 0.937 51 M CB 1.991 34.614 32.600 0.039 0.000 1.668 51 M HN 0.844 nan 8.290 nan 0.000 0.438 52 V N 4.025 123.938 119.914 -0.002 0.000 2.971 52 V HA 0.457 4.578 4.120 0.001 0.000 0.309 52 V C -1.365 174.670 176.094 -0.099 0.000 1.130 52 V CA -0.664 61.640 62.300 0.008 0.000 0.964 52 V CB 2.609 34.477 31.823 0.076 0.000 1.029 52 V HN 0.908 nan 8.190 nan 0.000 0.427 53 D N 3.677 123.973 120.400 -0.173 0.000 2.308 53 D HA 0.293 4.934 4.640 0.001 0.000 0.251 53 D C -0.496 175.515 176.300 -0.483 0.000 1.127 53 D CA 0.138 53.791 54.000 -0.577 0.000 0.876 53 D CB 2.048 42.112 40.800 -1.228 0.000 1.176 53 D HN 0.328 nan 8.370 nan 0.000 0.446 54 V N 3.959 123.546 119.914 -0.545 0.000 2.240 54 V HA 0.101 4.221 4.120 0.001 0.000 0.265 54 V C -0.314 175.594 176.094 -0.310 0.000 1.073 54 V CA -0.913 61.078 62.300 -0.515 0.000 0.857 54 V CB -0.333 31.204 31.823 -0.477 0.000 1.114 54 V HN 0.446 nan 8.190 nan 0.000 0.469 55 W N 3.419 124.741 121.300 0.036 0.000 2.489 55 W HA 0.099 4.761 4.660 0.003 0.000 0.327 55 W C 1.080 177.695 176.519 0.159 0.000 1.436 55 W CA -0.155 57.223 57.345 0.056 0.000 1.315 55 W CB 0.303 29.812 29.460 0.082 0.000 1.373 55 W HN 0.790 nan 8.180 nan 0.000 0.557 56 W N 3.651 124.996 121.300 0.074 0.000 2.363 56 W HA -0.122 4.540 4.660 0.003 0.000 0.296 56 W C 1.888 178.510 176.519 0.170 0.000 1.212 56 W CA 2.081 59.422 57.345 -0.006 0.000 1.260 56 W CB -0.750 28.617 29.460 -0.155 0.000 1.131 56 W HN 0.401 nan 8.180 nan 0.000 0.530 57 G N 0.444 109.271 108.800 0.045 0.000 2.471 57 G HA2 -0.180 3.780 3.960 0.001 0.000 0.219 57 G HA3 -0.180 3.780 3.960 0.001 0.000 0.219 57 G C 1.512 176.395 174.900 -0.028 0.000 1.125 57 G CA 1.171 46.165 45.100 -0.176 0.000 0.775 57 G HN 0.381 nan 8.290 nan 0.000 0.548 58 I N -0.176 120.477 120.570 0.139 0.000 2.556 58 I HA 0.093 4.263 4.170 0.001 0.000 0.251 58 I C 2.452 178.664 176.117 0.159 0.000 1.105 58 I CA 0.388 61.783 61.300 0.157 0.000 1.436 58 I CB -0.043 38.125 38.000 0.280 0.000 1.139 58 I HN 0.082 nan 8.210 nan 0.000 0.438 59 I N 0.413 121.109 120.570 0.209 0.000 2.286 59 I HA -0.205 3.965 4.170 0.001 0.000 0.245 59 I C 1.720 177.922 176.117 0.143 0.000 1.104 59 I CA 1.316 62.669 61.300 0.089 0.000 1.397 59 I CB 0.000 37.938 38.000 -0.103 0.000 1.072 59 I HN 0.177 nan 8.210 nan 0.000 0.417 60 E N 1.017 121.404 120.200 0.311 0.000 2.830 60 E HA 0.062 4.412 4.350 0.001 0.000 0.225 60 E C 1.228 177.989 176.600 0.268 0.000 1.109 60 E CA -0.198 56.395 56.400 0.323 0.000 1.392 60 E CB 0.424 30.529 29.700 0.673 0.000 1.349 60 E HN 0.224 nan 8.360 nan 0.000 0.433 61 L N 1.065 122.373 121.223 0.141 0.000 2.023 61 L HA -0.032 4.309 4.340 0.001 0.000 0.205 61 L C 2.048 179.024 176.870 0.176 0.000 1.073 61 L CA 1.768 56.681 54.840 0.121 0.000 0.745 61 L CB -0.217 41.874 42.059 0.053 0.000 0.900 61 L HN 0.058 nan 8.230 nan 0.000 0.435 62 K N -0.080 120.363 120.400 0.071 0.000 2.089 62 K HA 0.052 4.372 4.320 0.001 0.000 0.210 62 K C 0.714 177.279 176.600 -0.058 0.000 1.048 62 K CA 1.242 57.535 56.287 0.010 0.000 0.926 62 K CB -0.533 31.945 32.500 -0.037 0.000 0.714 62 K HN 0.618 nan 8.250 nan 0.000 0.448 63 G N -2.570 106.106 108.800 -0.207 0.000 2.322 63 G HA2 0.235 4.195 3.960 0.001 0.000 0.295 63 G HA3 0.235 4.195 3.960 0.001 0.000 0.295 63 G C -3.014 171.304 174.900 -0.970 0.000 1.369 63 G CA -1.154 43.535 45.100 -0.685 0.000 0.821 63 G HN -0.235 nan 8.290 nan 0.000 0.536 64 P HA 0.191 nan 4.420 nan 0.000 0.260 64 P C 0.048 177.036 177.300 -0.520 0.000 1.185 64 P CA 0.682 63.204 63.100 -0.963 0.000 0.763 64 P CB 0.313 31.516 31.700 -0.828 0.000 0.776 65 K N 0.719 120.836 120.400 -0.473 0.000 3.209 65 K HA -0.218 4.103 4.320 0.001 0.000 0.289 65 K C -0.154 175.982 176.600 -0.773 0.000 1.191 65 K CA 0.621 56.475 56.287 -0.721 0.000 0.851 65 K CB -1.122 31.244 32.500 -0.224 0.000 1.242 65 K HN 0.588 nan 8.250 nan 0.000 0.480 66 Q N 0.870 120.298 119.800 -0.619 0.000 2.963 66 Q HA 0.136 4.477 4.340 0.001 0.000 0.262 66 Q C -0.786 175.043 176.000 -0.285 0.000 1.318 66 Q CA 0.174 55.772 55.803 -0.341 0.000 1.089 66 Q CB 0.016 28.617 28.738 -0.228 0.000 1.424 66 Q HN 0.170 nan 8.270 nan 0.000 0.560 67 Y N 0.249 120.539 120.300 -0.018 0.000 2.299 67 Y HA 0.285 4.835 4.550 0.001 0.000 0.326 67 Y C 0.559 176.314 175.900 -0.243 0.000 1.164 67 Y CA -1.087 56.890 58.100 -0.204 0.000 1.234 67 Y CB 0.913 39.227 38.460 -0.245 0.000 1.219 67 Y HN 0.179 nan 8.280 nan 0.000 0.497 68 D N 2.072 122.347 120.400 -0.210 0.000 2.421 68 D HA 0.190 4.830 4.640 0.001 0.000 0.254 68 D C -1.045 175.191 176.300 -0.107 0.000 1.238 68 D CA -0.848 53.112 54.000 -0.068 0.000 0.919 68 D CB 0.279 41.090 40.800 0.018 0.000 1.152 68 D HN 0.578 nan 8.370 nan 0.000 0.552 69 W N 2.823 124.245 121.300 0.204 0.000 3.278 69 W HA 0.256 4.918 4.660 0.003 0.000 0.308 69 W C 1.971 178.612 176.519 0.204 0.000 1.253 69 W CA -0.530 56.938 57.345 0.205 0.000 1.759 69 W CB 0.387 29.916 29.460 0.114 0.000 1.093 69 W HN 0.241 nan 8.180 nan 0.000 0.648 70 R N 0.984 121.685 120.500 0.335 0.000 2.094 70 R HA -0.203 4.138 4.340 0.001 0.000 0.239 70 R C 2.409 178.846 176.300 0.227 0.000 1.137 70 R CA 1.973 58.224 56.100 0.252 0.000 0.943 70 R CB -0.963 29.446 30.300 0.182 0.000 0.850 70 R HN 0.196 nan 8.270 nan 0.000 0.433 71 A N 0.283 123.220 122.820 0.196 0.000 1.908 71 A HA -0.194 4.126 4.320 0.001 0.000 0.218 71 A C 1.916 179.489 177.584 -0.020 0.000 1.181 71 A CA 1.326 53.425 52.037 0.103 0.000 0.627 71 A CB -0.722 18.308 19.000 0.049 0.000 0.818 71 A HN 0.363 nan 8.150 nan 0.000 0.445 72 Y N -0.340 120.039 120.300 0.131 0.000 2.352 72 Y HA -0.090 4.461 4.550 0.001 0.000 0.292 72 Y C 2.637 178.549 175.900 0.021 0.000 1.136 72 Y CA 1.429 59.578 58.100 0.082 0.000 1.227 72 Y CB -0.131 38.488 38.460 0.266 0.000 0.991 72 Y HN 0.234 nan 8.280 nan 0.000 0.545 73 R N -0.904 119.747 120.500 0.252 0.000 2.075 73 R HA -0.125 4.215 4.340 0.001 0.000 0.232 73 R C 2.336 178.719 176.300 0.138 0.000 1.126 73 R CA 1.496 57.738 56.100 0.237 0.000 0.963 73 R CB -0.399 30.094 30.300 0.322 0.000 0.858 73 R HN 0.184 nan 8.270 nan 0.000 0.435 74 S N 1.287 117.060 115.700 0.120 0.000 2.382 74 S HA -0.129 4.342 4.470 0.001 0.000 0.228 74 S C 1.780 176.376 174.600 -0.007 0.000 1.027 74 S CA 0.922 59.209 58.200 0.144 0.000 0.991 74 S CB -0.197 63.169 63.200 0.276 0.000 0.823 74 S HN 0.168 nan 8.310 nan 0.000 0.469 75 L N 1.515 122.520 121.223 -0.364 0.000 2.005 75 L HA 0.013 4.353 4.340 0.001 0.000 0.207 75 L C 1.898 178.590 176.870 -0.296 0.000 1.072 75 L CA 1.615 56.070 54.840 -0.642 0.000 0.744 75 L CB -0.819 40.745 42.059 -0.825 0.000 0.895 75 L HN 0.153 nan 8.230 nan 0.000 0.433 76 L N -0.403 120.624 121.223 -0.327 0.000 2.079 76 L HA -0.226 4.115 4.340 0.001 0.000 0.210 76 L C 2.661 179.243 176.870 -0.480 0.000 1.081 76 L CA 1.860 56.382 54.840 -0.530 0.000 0.752 76 L CB -1.079 40.354 42.059 -1.043 0.000 0.896 76 L HN 0.472 nan 8.230 nan 0.000 0.433 77 Q N -0.531 119.118 119.800 -0.251 0.000 2.061 77 Q HA -0.231 4.109 4.340 0.001 0.000 0.204 77 Q C 2.155 178.209 176.000 0.090 0.000 0.984 77 Q CA 1.853 57.723 55.803 0.111 0.000 0.846 77 Q CB -0.529 28.359 28.738 0.250 0.000 0.902 77 Q HN 0.382 nan 8.270 nan 0.000 0.421 78 L N -0.608 120.664 121.223 0.081 0.000 2.046 78 L HA -0.092 4.249 4.340 0.001 0.000 0.208 78 L C 2.089 179.004 176.870 0.075 0.000 1.077 78 L CA 1.479 56.389 54.840 0.116 0.000 0.747 78 L CB -0.668 41.520 42.059 0.215 0.000 0.896 78 L HN 0.176 nan 8.230 nan 0.000 0.432 79 V N -0.262 119.665 119.914 0.022 0.000 2.332 79 V HA -0.350 3.770 4.120 0.001 0.000 0.248 79 V C 2.593 178.714 176.094 0.045 0.000 1.055 79 V CA 2.106 64.421 62.300 0.025 0.000 1.038 79 V CB -0.746 31.067 31.823 -0.016 0.000 0.651 79 V HN 0.666 nan 8.190 nan 0.000 0.450 80 Q N -0.004 119.821 119.800 0.041 0.000 2.084 80 Q HA -0.247 4.093 4.340 0.001 0.000 0.202 80 Q C 2.199 178.256 176.000 0.095 0.000 0.978 80 Q CA 1.963 57.820 55.803 0.090 0.000 0.844 80 Q CB -0.096 28.734 28.738 0.153 0.000 0.898 80 Q HN 0.731 nan 8.270 nan 0.000 0.426 81 E N -0.691 119.566 120.200 0.094 0.000 2.204 81 E HA -0.157 4.194 4.350 0.001 0.000 0.195 81 E C 1.688 178.330 176.600 0.070 0.000 0.990 81 E CA 0.977 57.427 56.400 0.084 0.000 0.821 81 E CB 0.042 29.794 29.700 0.087 0.000 0.750 81 E HN 0.392 nan 8.360 nan 0.000 0.477 82 C N 0.418 119.758 119.300 0.067 0.000 2.576 82 C HA 0.223 4.683 4.460 0.001 0.000 0.267 82 C C 1.520 176.538 174.990 0.047 0.000 1.364 82 C CA 0.352 59.403 59.018 0.055 0.000 1.723 82 C CB -1.162 26.613 27.740 0.057 0.000 1.778 82 C HN 0.660 nan 8.230 nan 0.000 0.572 83 G N 1.011 109.848 108.800 0.062 0.000 2.198 83 G HA2 -0.237 3.723 3.960 0.001 0.000 0.257 83 G HA3 -0.237 3.723 3.960 0.001 0.000 0.257 83 G C -0.295 174.648 174.900 0.072 0.000 1.042 83 G CA 0.069 45.209 45.100 0.068 0.000 0.791 83 G HN 0.537 nan 8.290 nan 0.000 0.502 84 L N 0.089 121.363 121.223 0.085 0.000 2.341 84 L HA 0.771 5.112 4.340 0.001 0.000 0.267 84 L C 1.100 178.055 176.870 0.141 0.000 1.009 84 L CA -0.631 54.276 54.840 0.111 0.000 0.819 84 L CB 2.107 44.227 42.059 0.100 0.000 1.323 84 L HN 0.328 nan 8.230 nan 0.000 0.425 85 T N -0.553 114.118 114.554 0.195 0.000 2.862 85 T HA 0.697 5.048 4.350 0.001 0.000 0.276 85 T C -0.681 174.126 174.700 0.178 0.000 0.974 85 T CA -0.696 61.521 62.100 0.195 0.000 0.966 85 T CB 1.848 70.871 68.868 0.258 0.000 1.072 85 T HN 0.346 nan 8.240 nan 0.000 0.538 86 L N 0.018 121.312 121.223 0.119 0.000 2.431 86 L HA 0.462 4.802 4.340 0.001 0.000 0.266 86 L C -1.169 175.694 176.870 -0.011 0.000 0.978 86 L CA -0.516 54.362 54.840 0.063 0.000 0.822 86 L CB 2.317 44.396 42.059 0.033 0.000 1.310 86 L HN 0.768 nan 8.230 nan 0.000 0.409 87 Q N 3.845 123.605 119.800 -0.067 0.000 2.372 87 Q HA 0.719 5.059 4.340 0.001 0.000 0.259 87 Q C -0.789 175.143 176.000 -0.114 0.000 0.993 87 Q CA -0.642 55.074 55.803 -0.144 0.000 0.854 87 Q CB 1.829 30.425 28.738 -0.236 0.000 1.231 87 Q HN 0.765 nan 8.270 nan 0.000 0.462 88 A N 4.249 126.986 122.820 -0.139 0.000 2.274 88 A HA 0.551 4.872 4.320 0.001 0.000 0.309 88 A C -0.333 177.084 177.584 -0.279 0.000 1.226 88 A CA -0.544 51.381 52.037 -0.187 0.000 0.853 88 A CB 0.334 19.224 19.000 -0.183 0.000 1.146 88 A HN 0.766 nan 8.150 nan 0.000 0.518 89 I N 3.417 123.813 120.570 -0.290 0.000 2.331 89 I HA 0.187 4.358 4.170 0.001 0.000 0.292 89 I C -0.092 175.769 176.117 -0.427 0.000 0.998 89 I CA -0.436 60.672 61.300 -0.320 0.000 1.267 89 I CB 1.439 39.265 38.000 -0.289 0.000 1.386 89 I HN 0.500 nan 8.210 nan 0.000 0.476 90 M N 5.144 124.482 119.600 -0.437 0.000 2.557 90 M HA 0.144 4.624 4.480 0.001 0.000 0.328 90 M C -0.070 175.751 176.300 -0.799 0.000 1.423 90 M CA 0.171 55.106 55.300 -0.607 0.000 1.418 90 M CB -0.270 32.040 32.600 -0.483 0.000 1.381 90 M HN 0.409 nan 8.290 nan 0.000 0.467 91 S N 3.533 118.809 115.700 -0.708 0.000 2.681 91 S HA 0.279 4.750 4.470 0.001 0.000 0.313 91 S C 0.416 174.790 174.600 -0.376 0.000 1.137 91 S CA -0.394 57.473 58.200 -0.555 0.000 1.045 91 S CB -0.425 62.169 63.200 -1.010 0.000 1.208 91 S HN 0.394 nan 8.310 nan 0.000 0.523 92 F N 2.902 122.906 119.950 0.090 0.000 2.663 92 F HA 0.174 4.701 4.527 0.000 0.000 0.299 92 F C 1.500 177.623 175.800 0.539 0.000 1.143 92 F CA -0.529 57.565 58.000 0.157 0.000 1.387 92 F CB -0.256 38.516 39.000 -0.379 0.000 1.019 92 F HN 0.568 nan 8.300 nan 0.000 0.523 93 H N -1.372 118.028 119.070 0.550 0.000 2.812 93 H HA 0.432 4.989 4.556 0.001 0.000 0.355 93 H C -0.708 174.931 175.328 0.519 0.000 1.207 93 H CA -1.162 55.218 56.048 0.554 0.000 1.217 93 H CB 0.874 30.871 29.762 0.391 0.000 1.874 93 H HN 0.166 nan 8.280 nan 0.000 0.581 94 Q N 0.606 120.646 119.800 0.399 0.000 2.230 94 Q HA 0.384 4.724 4.340 0.001 0.000 0.248 94 Q C -1.081 175.001 176.000 0.137 0.000 0.915 94 Q CA -0.693 55.206 55.803 0.161 0.000 0.900 94 Q CB 1.379 30.184 28.738 0.112 0.000 1.229 94 Q HN 0.602 nan 8.270 nan 0.000 0.439 95 C N 2.680 121.868 119.300 -0.186 0.000 2.329 95 C HA 0.850 5.310 4.460 0.001 0.000 0.329 95 C C 0.975 175.895 174.990 -0.116 0.000 1.275 95 C CA 0.950 59.863 59.018 -0.175 0.000 1.726 95 C CB 0.033 27.380 27.740 -0.656 0.000 2.291 95 C HN 1.063 nan 8.230 nan 0.000 0.514 96 G N 3.623 112.413 108.800 -0.015 0.000 3.675 96 G HA2 -0.027 3.934 3.960 0.001 0.000 0.206 96 G HA3 -0.027 3.934 3.960 0.001 0.000 0.206 96 G C 0.996 175.903 174.900 0.012 0.000 1.086 96 G CA 0.364 45.452 45.100 -0.020 0.000 0.894 96 G HN 1.258 nan 8.290 nan 0.000 0.412 97 G N 0.640 109.457 108.800 0.028 0.000 2.985 97 G HA2 0.318 4.278 3.960 0.001 0.000 0.209 97 G HA3 0.318 4.278 3.960 0.001 0.000 0.209 97 G C 0.381 175.305 174.900 0.040 0.000 1.165 97 G CA 0.359 45.476 45.100 0.028 0.000 0.776 97 G HN 0.417 nan 8.290 nan 0.000 0.541 98 N N -0.352 118.381 118.700 0.056 0.000 2.471 98 N HA 0.256 4.997 4.740 0.001 0.000 0.288 98 N C -0.450 175.109 175.510 0.081 0.000 1.220 98 N CA -0.613 52.478 53.050 0.068 0.000 0.893 98 N CB 2.280 40.803 38.487 0.060 0.000 1.256 98 N HN -0.141 nan 8.380 nan 0.000 0.534 99 V N 0.823 120.797 119.914 0.101 0.000 2.644 99 V HA 0.188 4.308 4.120 0.001 0.000 0.305 99 V C 1.372 177.500 176.094 0.055 0.000 1.053 99 V CA 1.909 64.257 62.300 0.079 0.000 1.186 99 V CB -0.327 31.545 31.823 0.081 0.000 0.895 99 V HN 1.001 nan 8.190 nan 0.000 0.490 100 G N 4.757 113.580 108.800 0.039 0.000 2.225 100 G HA2 -0.220 3.741 3.960 0.001 0.000 0.254 100 G HA3 -0.220 3.741 3.960 0.001 0.000 0.254 100 G C -0.018 174.910 174.900 0.047 0.000 0.988 100 G CA 0.233 45.354 45.100 0.034 0.000 0.625 100 G HN 0.820 nan 8.290 nan 0.000 0.527 101 D N 1.086 121.518 120.400 0.054 0.000 2.385 101 D HA 0.329 4.970 4.640 0.001 0.000 0.260 101 D C 1.935 178.249 176.300 0.023 0.000 1.326 101 D CA 0.283 54.313 54.000 0.050 0.000 1.023 101 D CB -0.119 40.712 40.800 0.051 0.000 1.083 101 D HN 0.647 nan 8.370 nan 0.000 0.517 102 I N -0.359 120.224 120.570 0.022 0.000 3.684 102 I HA 0.152 4.322 4.170 0.001 0.000 0.304 102 I C 0.312 176.422 176.117 -0.012 0.000 1.278 102 I CA -0.114 61.191 61.300 0.008 0.000 1.272 102 I CB 0.308 38.318 38.000 0.017 0.000 1.029 102 I HN 0.023 nan 8.210 nan 0.000 0.458 103 V N 1.481 121.376 119.914 -0.032 0.000 2.971 103 V HA 0.479 4.599 4.120 0.001 0.000 0.309 103 V C -1.455 174.566 176.094 -0.121 0.000 1.130 103 V CA -0.641 61.616 62.300 -0.071 0.000 0.964 103 V CB 2.430 34.206 31.823 -0.078 0.000 1.029 103 V HN 0.239 nan 8.190 nan 0.000 0.427 104 N N 5.823 124.445 118.700 -0.130 0.000 2.437 104 N HA 0.549 5.290 4.740 0.001 0.000 0.259 104 N C -1.013 174.360 175.510 -0.229 0.000 0.983 104 N CA -0.049 52.908 53.050 -0.154 0.000 0.937 104 N CB 1.710 40.137 38.487 -0.101 0.000 1.122 104 N HN 0.597 nan 8.380 nan 0.000 0.499 105 I N 3.412 123.782 120.570 -0.333 0.000 2.563 105 I HA 0.270 4.440 4.170 0.001 0.000 0.276 105 I C -2.460 173.473 176.117 -0.307 0.000 1.074 105 I CA -1.811 59.236 61.300 -0.422 0.000 1.124 105 I CB 2.013 39.489 38.000 -0.873 0.000 1.225 105 I HN 0.087 nan 8.210 nan 0.000 0.482 106 P HA 0.250 nan 4.420 nan 0.000 0.274 106 P C -0.018 177.190 177.300 -0.153 0.000 1.256 106 P CA -0.333 62.688 63.100 -0.132 0.000 0.795 106 P CB 0.648 32.277 31.700 -0.118 0.000 1.038 107 I N -2.682 117.795 120.570 -0.156 0.000 3.079 107 I HA 0.382 4.552 4.170 0.001 0.000 0.295 107 I C -2.276 173.511 176.117 -0.549 0.000 1.094 107 I CA -2.727 58.353 61.300 -0.366 0.000 1.295 107 I CB -0.648 37.172 38.000 -0.301 0.000 1.443 107 I HN 0.101 nan 8.210 nan 0.000 0.607 108 P HA -0.107 nan 4.420 nan 0.000 0.261 108 P C -0.035 176.935 177.300 -0.549 0.000 1.165 108 P CA 0.489 63.123 63.100 -0.776 0.000 0.759 108 P CB 0.434 31.387 31.700 -1.244 0.000 0.772 109 Q N 5.148 124.805 119.800 -0.239 0.000 2.135 109 Q HA -0.172 4.169 4.340 0.001 0.000 0.204 109 Q C 1.582 177.565 176.000 -0.027 0.000 0.981 109 Q CA 1.924 57.670 55.803 -0.095 0.000 0.856 109 Q CB -0.605 28.134 28.738 0.001 0.000 0.902 109 Q HN 0.686 nan 8.270 nan 0.000 0.425 110 W N -1.088 120.198 121.300 -0.024 0.000 2.425 110 W HA -0.027 4.632 4.660 -0.001 0.000 0.277 110 W C 1.208 177.783 176.519 0.095 0.000 1.231 110 W CA 0.894 58.269 57.345 0.051 0.000 1.248 110 W CB -0.788 28.710 29.460 0.062 0.000 1.117 110 W HN 0.004 nan 8.180 nan 0.000 0.568 111 V N 1.708 121.242 119.914 -0.632 0.000 2.407 111 V HA -0.264 3.857 4.120 0.001 0.000 0.245 111 V C 2.579 178.601 176.094 -0.120 0.000 1.041 111 V CA 1.244 63.243 62.300 -0.502 0.000 1.040 111 V CB -0.975 30.355 31.823 -0.821 0.000 0.671 111 V HN 0.015 nan 8.190 nan 0.000 0.455 112 L N 0.252 121.413 121.223 -0.104 0.000 2.079 112 L HA -0.173 4.168 4.340 0.001 0.000 0.210 112 L C 2.184 179.104 176.870 0.083 0.000 1.081 112 L CA 1.827 56.706 54.840 0.065 0.000 0.752 112 L CB -1.067 40.996 42.059 0.007 0.000 0.896 112 L HN 0.340 nan 8.230 nan 0.000 0.433 113 D N -0.552 119.890 120.400 0.070 0.000 2.123 113 D HA -0.176 4.464 4.640 0.001 0.000 0.196 113 D C 2.359 178.698 176.300 0.066 0.000 0.992 113 D CA 1.337 55.389 54.000 0.087 0.000 0.833 113 D CB -0.035 40.849 40.800 0.140 0.000 0.954 113 D HN 0.336 nan 8.370 nan 0.000 0.455 114 I N 0.908 121.521 120.570 0.071 0.000 2.286 114 I HA -0.153 4.018 4.170 0.001 0.000 0.248 114 I C 2.487 178.572 176.117 -0.054 0.000 1.115 114 I CA 1.182 62.480 61.300 -0.003 0.000 1.392 114 I CB -0.447 37.548 38.000 -0.010 0.000 1.065 114 I HN -0.004 nan 8.210 nan 0.000 0.418 115 G N 0.354 109.147 108.800 -0.011 0.000 2.498 115 G HA2 -0.173 3.787 3.960 0.001 0.000 0.219 115 G HA3 -0.173 3.787 3.960 0.001 0.000 0.219 115 G C 1.496 176.334 174.900 -0.104 0.000 1.119 115 G CA 0.301 45.398 45.100 -0.004 0.000 0.766 115 G HN 0.327 nan 8.290 nan 0.000 0.552 116 E N 1.131 121.277 120.200 -0.089 0.000 2.106 116 E HA -0.110 4.241 4.350 0.001 0.000 0.192 116 E C 2.828 179.299 176.600 -0.216 0.000 0.984 116 E CA 1.462 57.768 56.400 -0.157 0.000 0.806 116 E CB -0.210 29.481 29.700 -0.015 0.000 0.750 116 E HN 0.608 nan 8.360 nan 0.000 0.458 117 S N -0.375 115.255 115.700 -0.116 0.000 2.503 117 S HA 0.025 4.496 4.470 0.001 0.000 0.215 117 S C 0.837 175.425 174.600 -0.020 0.000 1.003 117 S CA -0.189 57.991 58.200 -0.034 0.000 0.910 117 S CB -0.031 63.163 63.200 -0.010 0.000 0.790 117 S HN 0.117 nan 8.310 nan 0.000 0.514 118 N N 0.140 118.784 118.700 -0.093 0.000 2.690 118 N HA 0.296 5.036 4.740 0.001 0.000 0.255 118 N C -0.511 174.989 175.510 -0.016 0.000 1.195 118 N CA -0.329 52.714 53.050 -0.012 0.000 0.790 118 N CB 0.451 38.909 38.487 -0.048 0.000 1.216 118 N HN 0.122 nan 8.380 nan 0.000 0.528 119 H N 0.416 119.562 119.070 0.126 0.000 2.561 119 H HA -0.003 4.554 4.556 0.001 0.000 0.278 119 H C 0.428 175.895 175.328 0.231 0.000 1.014 119 H CA 0.671 56.871 56.048 0.253 0.000 1.211 119 H CB 0.308 30.212 29.762 0.235 0.000 1.365 119 H HN 0.535 nan 8.280 nan 0.000 0.594 120 D N 0.741 121.285 120.400 0.239 0.000 2.336 120 D HA -0.011 4.629 4.640 0.001 0.000 0.229 120 D C 1.638 178.078 176.300 0.233 0.000 1.061 120 D CA 0.355 54.497 54.000 0.237 0.000 0.875 120 D CB 0.122 40.994 40.800 0.120 0.000 0.904 120 D HN 0.637 nan 8.370 nan 0.000 0.525 121 I N -3.295 117.244 120.570 -0.052 0.000 3.578 121 I HA 0.108 4.278 4.170 0.001 0.000 0.295 121 I C -0.112 175.779 176.117 -0.377 0.000 1.280 121 I CA 0.103 61.255 61.300 -0.246 0.000 1.347 121 I CB -0.097 37.669 38.000 -0.390 0.000 1.051 121 I HN -0.337 nan 8.210 nan 0.000 0.460 122 F N 0.296 120.317 119.950 0.119 0.000 2.470 122 F HA 0.492 5.019 4.527 0.000 0.000 0.329 122 F C 0.026 175.919 175.800 0.157 0.000 1.072 122 F CA -1.104 56.956 58.000 0.100 0.000 0.989 122 F CB 0.264 39.356 39.000 0.154 0.000 1.193 122 F HN -0.232 nan 8.300 nan 0.000 0.481 123 Y N 0.895 121.451 120.300 0.427 0.000 2.620 123 Y HA 0.228 4.779 4.550 0.001 0.000 0.330 123 Y C 0.647 176.747 175.900 0.333 0.000 1.186 123 Y CA 0.107 58.419 58.100 0.353 0.000 1.467 123 Y CB 0.066 38.725 38.460 0.332 0.000 1.262 123 Y HN 0.424 nan 8.280 nan 0.000 0.550 124 T N 5.220 120.079 114.554 0.508 0.000 2.861 124 T HA 0.285 4.635 4.350 0.001 0.000 0.287 124 T C -0.292 174.637 174.700 0.382 0.000 1.003 124 T CA -1.178 61.153 62.100 0.386 0.000 0.977 124 T CB 0.859 69.932 68.868 0.342 0.000 0.996 124 T HN 0.619 nan 8.240 nan 0.000 0.448 125 N N 1.741 120.584 118.700 0.238 0.000 2.447 125 N HA 0.255 4.995 4.740 0.001 0.000 0.271 125 N C 1.079 176.417 175.510 -0.288 0.000 1.226 125 N CA -0.966 52.136 53.050 0.086 0.000 0.980 125 N CB 0.803 39.320 38.487 0.050 0.000 1.206 125 N HN 0.541 nan 8.380 nan 0.000 0.558 126 R N -0.171 119.816 120.500 -0.854 0.000 2.117 126 R HA -0.064 4.277 4.340 0.001 0.000 0.243 126 R C 1.212 177.236 176.300 -0.460 0.000 1.143 126 R CA 1.686 57.102 56.100 -1.140 0.000 0.968 126 R CB -0.280 29.402 30.300 -1.030 0.000 0.863 126 R HN 0.643 nan 8.270 nan 0.000 0.444 127 S N -1.174 114.360 115.700 -0.277 0.000 2.515 127 S HA 0.093 4.563 4.470 0.001 0.000 0.231 127 S C 1.090 175.647 174.600 -0.072 0.000 0.987 127 S CA 0.825 58.941 58.200 -0.140 0.000 0.936 127 S CB 0.637 63.785 63.200 -0.087 0.000 0.766 127 S HN 0.746 nan 8.310 nan 0.000 0.528 128 G N 0.988 109.757 108.800 -0.051 0.000 2.176 128 G HA2 -0.222 3.739 3.960 0.001 0.000 0.232 128 G HA3 -0.222 3.739 3.960 0.001 0.000 0.232 128 G C 0.141 175.076 174.900 0.058 0.000 0.986 128 G CA 0.083 45.193 45.100 0.016 0.000 0.643 128 G HN 0.452 nan 8.290 nan 0.000 0.522 129 T N 3.237 117.834 114.554 0.071 0.000 2.870 129 T HA 0.486 4.836 4.350 0.001 0.000 0.300 129 T C 0.569 175.357 174.700 0.147 0.000 0.989 129 T CA -0.120 62.039 62.100 0.099 0.000 1.139 129 T CB 0.798 69.735 68.868 0.116 0.000 0.920 129 T HN 0.385 nan 8.240 nan 0.000 0.537 130 R N 3.253 123.835 120.500 0.137 0.000 2.368 130 R HA 0.364 4.705 4.340 0.001 0.000 0.302 130 R C -0.164 176.187 176.300 0.085 0.000 1.002 130 R CA -0.839 55.369 56.100 0.181 0.000 0.929 130 R CB 0.180 30.615 30.300 0.225 0.000 1.073 130 R HN 0.461 nan 8.270 nan 0.000 0.464 131 N N 2.145 120.945 118.700 0.167 0.000 2.437 131 N HA 0.107 4.847 4.740 0.001 0.000 0.259 131 N C -0.242 175.291 175.510 0.039 0.000 0.983 131 N CA -0.241 52.878 53.050 0.115 0.000 0.937 131 N CB 1.035 39.661 38.487 0.231 0.000 1.122 131 N HN 0.429 nan 8.380 nan 0.000 0.499 132 K N 1.906 122.192 120.400 -0.191 0.000 2.417 132 K HA 0.016 4.336 4.320 0.001 0.000 0.196 132 K C 0.921 177.576 176.600 0.092 0.000 1.023 132 K CA 0.118 56.208 56.287 -0.328 0.000 1.122 132 K CB 0.416 32.562 32.500 -0.591 0.000 0.850 132 K HN 0.666 nan 8.250 nan 0.000 0.521 133 E N -0.081 120.232 120.200 0.188 0.000 2.427 133 E HA -0.118 4.232 4.350 0.001 0.000 0.196 133 E C -0.210 176.668 176.600 0.463 0.000 1.028 133 E CA 0.510 57.072 56.400 0.270 0.000 0.864 133 E CB 0.012 29.849 29.700 0.229 0.000 0.813 133 E HN 0.194 nan 8.360 nan 0.000 0.514 134 Y N -0.278 120.218 120.300 0.326 0.000 2.573 134 Y HA 0.280 4.830 4.550 0.000 0.000 0.328 134 Y C -1.694 174.337 175.900 0.217 0.000 1.170 134 Y CA -1.419 56.872 58.100 0.318 0.000 1.078 134 Y CB 1.201 39.850 38.460 0.315 0.000 1.341 134 Y HN -0.107 nan 8.280 nan 0.000 0.459 135 L N 3.978 124.917 121.223 -0.472 0.000 2.360 135 L HA 0.229 4.570 4.340 0.001 0.000 0.276 135 L C 0.790 177.336 176.870 -0.539 0.000 1.121 135 L CA 0.425 55.008 54.840 -0.428 0.000 0.845 135 L CB 0.566 42.358 42.059 -0.445 0.000 1.143 135 L HN 0.764 nan 8.230 nan 0.000 0.452 136 T N 2.406 116.620 114.554 -0.566 0.000 2.933 136 T HA -0.015 4.335 4.350 0.001 0.000 0.306 136 T C 1.485 175.967 174.700 -0.363 0.000 1.045 136 T CA 0.378 61.984 62.100 -0.823 0.000 1.143 136 T CB 0.510 69.137 68.868 -0.401 0.000 1.003 136 T HN 0.505 nan 8.240 nan 0.000 0.540 137 V N 5.043 124.808 119.914 -0.249 0.000 2.660 137 V HA -0.017 4.104 4.120 0.001 0.000 0.257 137 V C 2.254 178.329 176.094 -0.031 0.000 1.088 137 V CA 2.658 64.868 62.300 -0.151 0.000 1.106 137 V CB -1.217 30.481 31.823 -0.209 0.000 0.686 137 V HN 1.078 nan 8.190 nan 0.000 0.481 138 G N -0.025 108.775 108.800 0.001 0.000 2.462 138 G HA2 -0.187 3.773 3.960 0.001 0.000 0.220 138 G HA3 -0.187 3.773 3.960 0.001 0.000 0.220 138 G C 1.341 176.154 174.900 -0.145 0.000 1.121 138 G CA 1.394 46.526 45.100 0.054 0.000 0.758 138 G HN 1.097 nan 8.290 nan 0.000 0.559 139 V N -2.704 117.078 119.914 -0.220 0.000 3.376 139 V HA 0.256 4.376 4.120 0.001 0.000 0.313 139 V C 1.363 177.380 176.094 -0.128 0.000 1.393 139 V CA 0.329 62.448 62.300 -0.301 0.000 1.125 139 V CB 0.337 31.998 31.823 -0.270 0.000 1.037 139 V HN -0.059 nan 8.190 nan 0.000 0.440 140 D N 3.015 123.371 120.400 -0.074 0.000 2.149 140 D HA -0.198 4.443 4.640 0.001 0.000 0.194 140 D C 1.244 177.508 176.300 -0.061 0.000 1.001 140 D CA 2.368 56.347 54.000 -0.035 0.000 0.849 140 D CB -0.190 40.655 40.800 0.076 0.000 0.939 140 D HN 0.716 nan 8.370 nan 0.000 0.449 141 N N 0.008 118.680 118.700 -0.046 0.000 2.338 141 N HA 0.061 4.801 4.740 0.001 0.000 0.251 141 N C -0.732 174.749 175.510 -0.049 0.000 1.199 141 N CA -0.157 52.872 53.050 -0.036 0.000 0.879 141 N CB 0.928 39.411 38.487 -0.007 0.000 1.159 141 N HN -0.064 nan 8.380 nan 0.000 0.514 142 E N 1.761 121.905 120.200 -0.093 0.000 2.146 142 E HA 0.144 4.494 4.350 0.001 0.000 0.282 142 E C -2.167 174.377 176.600 -0.094 0.000 0.989 142 E CA -2.032 54.288 56.400 -0.135 0.000 0.799 142 E CB 1.435 30.941 29.700 -0.323 0.000 1.088 142 E HN 0.133 nan 8.360 nan 0.000 0.397 143 P HA 0.105 nan 4.420 nan 0.000 0.220 143 P C 0.633 177.872 177.300 -0.101 0.000 1.778 143 P CA 0.169 63.248 63.100 -0.035 0.000 0.912 143 P CB -0.685 31.007 31.700 -0.013 0.000 1.861 144 I N -5.221 115.190 120.570 -0.264 0.000 3.928 144 I HA 0.315 4.485 4.170 0.001 0.000 0.335 144 I C -0.316 175.422 176.117 -0.631 0.000 1.325 144 I CA -0.364 60.665 61.300 -0.452 0.000 1.107 144 I CB -0.339 37.314 38.000 -0.578 0.000 1.014 144 I HN -0.264 nan 8.210 nan 0.000 0.400 145 F N 3.446 123.362 119.950 -0.057 0.000 2.344 145 F HA 0.456 4.983 4.527 0.000 0.000 0.344 145 F C 0.355 176.224 175.800 0.115 0.000 1.140 145 F CA -0.766 57.243 58.000 0.016 0.000 1.256 145 F CB -0.583 38.489 39.000 0.120 0.000 1.573 145 F HN 0.148 nan 8.300 nan 0.000 0.547 146 H N 0.803 119.977 119.070 0.173 0.000 2.692 146 H HA -0.194 4.363 4.556 0.001 0.000 0.316 146 H C 1.518 176.886 175.328 0.065 0.000 1.176 146 H CA 0.808 56.912 56.048 0.093 0.000 1.142 146 H CB -1.188 28.612 29.762 0.064 0.000 1.475 146 H HN 0.912 nan 8.280 nan 0.000 0.423 147 G N -0.694 108.176 108.800 0.118 0.000 2.258 147 G HA2 -0.300 3.660 3.960 0.001 0.000 0.233 147 G HA3 -0.300 3.660 3.960 0.001 0.000 0.233 147 G C 0.513 175.466 174.900 0.088 0.000 1.006 147 G CA 0.336 45.485 45.100 0.082 0.000 0.620 147 G HN 0.548 nan 8.290 nan 0.000 0.511 148 R N 1.076 121.665 120.500 0.149 0.000 2.643 148 R HA 0.614 4.955 4.340 0.001 0.000 0.272 148 R C 0.693 177.100 176.300 0.178 0.000 0.995 148 R CA 0.157 56.341 56.100 0.140 0.000 1.032 148 R CB 1.086 31.480 30.300 0.158 0.000 1.126 148 R HN 0.373 nan 8.270 nan 0.000 0.505 149 T N -1.944 112.660 114.554 0.083 0.000 2.902 149 T HA 0.341 4.692 4.350 0.001 0.000 0.280 149 T C 1.287 175.935 174.700 -0.088 0.000 0.992 149 T CA -0.389 61.750 62.100 0.065 0.000 1.015 149 T CB 1.664 70.518 68.868 -0.024 0.000 1.044 149 T HN 0.589 nan 8.240 nan 0.000 0.520 150 A N 0.803 123.491 122.820 -0.219 0.000 1.940 150 A HA 0.025 4.345 4.320 0.001 0.000 0.219 150 A C 2.260 179.193 177.584 -1.084 0.000 1.176 150 A CA 1.326 52.891 52.037 -0.788 0.000 0.631 150 A CB -1.096 17.485 19.000 -0.699 0.000 0.814 150 A HN 0.877 nan 8.150 nan 0.000 0.446 151 I N -0.493 119.746 120.570 -0.553 0.000 2.394 151 I HA -0.233 3.937 4.170 0.001 0.000 0.251 151 I C 2.356 178.300 176.117 -0.288 0.000 1.136 151 I CA 1.399 62.479 61.300 -0.366 0.000 1.425 151 I CB -0.410 37.512 38.000 -0.130 0.000 1.079 151 I HN 0.444 nan 8.210 nan 0.000 0.425 152 E N 0.877 120.945 120.200 -0.219 0.000 2.150 152 E HA -0.159 4.191 4.350 0.001 0.000 0.193 152 E C 2.267 178.805 176.600 -0.104 0.000 0.985 152 E CA 1.041 57.380 56.400 -0.103 0.000 0.814 152 E CB 0.010 29.689 29.700 -0.035 0.000 0.752 152 E HN 0.514 nan 8.360 nan 0.000 0.466 153 I N 0.444 120.860 120.570 -0.256 0.000 2.202 153 I HA -0.270 3.900 4.170 0.001 0.000 0.242 153 I C 1.993 177.981 176.117 -0.216 0.000 1.091 153 I CA 1.061 62.249 61.300 -0.186 0.000 1.368 153 I CB -0.294 37.484 38.000 -0.370 0.000 1.058 153 I HN 0.099 nan 8.210 nan 0.000 0.410 154 Y N 0.182 120.162 120.300 -0.534 0.000 2.224 154 Y HA -0.205 4.345 4.550 0.000 0.000 0.289 154 Y C 2.994 178.793 175.900 -0.169 0.000 1.146 154 Y CA 1.081 58.710 58.100 -0.785 0.000 1.182 154 Y CB -1.328 36.474 38.460 -1.097 0.000 0.983 154 Y HN 0.110 nan 8.280 nan 0.000 0.524 155 S N -0.225 115.496 115.700 0.034 0.000 2.355 155 S HA -0.165 4.305 4.470 0.001 0.000 0.222 155 S C 1.763 176.434 174.600 0.118 0.000 1.031 155 S CA 1.516 59.760 58.200 0.072 0.000 0.993 155 S CB -0.350 62.862 63.200 0.022 0.000 0.859 155 S HN 0.402 nan 8.310 nan 0.000 0.453 156 D N -0.253 120.238 120.400 0.152 0.000 2.144 156 D HA -0.101 4.539 4.640 0.001 0.000 0.199 156 D C 1.584 178.037 176.300 0.256 0.000 0.984 156 D CA 1.100 55.228 54.000 0.213 0.000 0.834 156 D CB -0.492 40.488 40.800 0.300 0.000 0.955 156 D HN 0.586 nan 8.370 nan 0.000 0.465 157 Y N 1.028 121.461 120.300 0.222 0.000 2.145 157 Y HA -0.201 4.348 4.550 -0.000 0.000 0.286 157 Y C 2.420 178.435 175.900 0.192 0.000 1.145 157 Y CA 1.623 59.866 58.100 0.238 0.000 1.148 157 Y CB -0.189 38.552 38.460 0.469 0.000 0.981 157 Y HN -0.126 nan 8.280 nan 0.000 0.507 158 M N -0.221 119.588 119.600 0.348 0.000 2.175 158 M HA -0.211 4.269 4.480 0.001 0.000 0.264 158 M C 2.053 178.249 176.300 -0.174 0.000 1.063 158 M CA 1.721 57.106 55.300 0.143 0.000 1.119 158 M CB -0.279 32.450 32.600 0.214 0.000 1.377 158 M HN 0.150 nan 8.290 nan 0.000 0.415 159 K N -0.307 120.007 120.400 -0.142 0.000 2.057 159 K HA -0.111 4.209 4.320 0.001 0.000 0.206 159 K C 2.266 178.742 176.600 -0.207 0.000 1.050 159 K CA 1.582 57.745 56.287 -0.208 0.000 0.935 159 K CB -0.282 32.162 32.500 -0.094 0.000 0.715 159 K HN 0.169 nan 8.250 nan 0.000 0.439 160 S N 0.483 116.078 115.700 -0.176 0.000 2.382 160 S HA -0.155 4.316 4.470 0.001 0.000 0.228 160 S C 1.749 176.051 174.600 -0.496 0.000 1.027 160 S CA 0.869 58.938 58.200 -0.218 0.000 0.991 160 S CB -0.280 62.736 63.200 -0.306 0.000 0.823 160 S HN 0.334 nan 8.310 nan 0.000 0.469 161 F N 3.045 122.541 119.950 -0.756 0.000 2.102 161 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 161 F C 2.549 177.982 175.800 -0.612 0.000 1.105 161 F CA 1.894 59.237 58.000 -1.096 0.000 1.239 161 F CB -0.516 38.065 39.000 -0.700 0.000 0.991 161 F HN 0.102 nan 8.300 nan 0.000 0.474 162 R N 1.008 121.319 120.500 -0.315 0.000 2.080 162 R HA -0.204 4.136 4.340 0.001 0.000 0.236 162 R C 2.043 178.156 176.300 -0.311 0.000 1.137 162 R CA 2.422 58.356 56.100 -0.277 0.000 0.943 162 R CB -0.729 29.311 30.300 -0.433 0.000 0.846 162 R HN 0.470 nan 8.270 nan 0.000 0.431 163 E N -0.007 120.011 120.200 -0.302 0.000 2.047 163 E HA -0.119 4.232 4.350 0.001 0.000 0.191 163 E C 1.827 178.263 176.600 -0.272 0.000 0.987 163 E CA 1.036 57.299 56.400 -0.229 0.000 0.799 163 E CB -0.167 29.439 29.700 -0.158 0.000 0.752 163 E HN 0.438 nan 8.360 nan 0.000 0.449 164 N N -0.017 118.435 118.700 -0.414 0.000 2.457 164 N HA -0.026 4.714 4.740 0.001 0.000 0.180 164 N C 0.848 176.106 175.510 -0.421 0.000 1.050 164 N CA 0.740 53.545 53.050 -0.410 0.000 0.906 164 N CB 0.288 38.427 38.487 -0.580 0.000 0.968 164 N HN 0.173 nan 8.380 nan 0.000 0.445 165 M N 0.056 119.332 119.600 -0.541 0.000 2.589 165 M HA 0.144 4.624 4.480 0.001 0.000 0.344 165 M C 1.549 177.709 176.300 -0.235 0.000 1.168 165 M CA 0.051 55.117 55.300 -0.391 0.000 0.956 165 M CB -0.271 31.836 32.600 -0.822 0.000 1.370 165 M HN -0.034 nan 8.290 nan 0.000 0.518 166 S N 1.474 117.037 115.700 -0.229 0.000 2.374 166 S HA -0.208 4.262 4.470 0.001 0.000 0.227 166 S C 1.460 175.977 174.600 -0.138 0.000 1.037 166 S CA 1.959 60.069 58.200 -0.150 0.000 1.024 166 S CB -0.627 62.491 63.200 -0.137 0.000 0.861 166 S HN 0.580 nan 8.310 nan 0.000 0.456 167 D N 1.337 121.598 120.400 -0.231 0.000 2.117 167 D HA -0.156 4.484 4.640 0.001 0.000 0.197 167 D C 1.636 177.782 176.300 -0.255 0.000 0.987 167 D CA 0.999 54.827 54.000 -0.287 0.000 0.829 167 D CB -0.834 39.705 40.800 -0.434 0.000 0.961 167 D HN 0.484 nan 8.370 nan 0.000 0.460 168 F N 0.846 120.751 119.950 -0.075 0.000 2.186 168 F HA 0.078 4.605 4.527 0.000 0.000 0.299 168 F C 2.631 178.412 175.800 -0.031 0.000 1.090 168 F CA 0.464 58.434 58.000 -0.049 0.000 1.307 168 F CB -0.687 38.272 39.000 -0.067 0.000 1.019 168 F HN -0.093 nan 8.300 nan 0.000 0.489 169 L N -0.326 120.970 121.223 0.122 0.000 2.046 169 L HA -0.192 4.149 4.340 0.001 0.000 0.208 169 L C 2.274 179.180 176.870 0.060 0.000 1.077 169 L CA 1.428 56.323 54.840 0.091 0.000 0.747 169 L CB -0.604 41.504 42.059 0.081 0.000 0.896 169 L HN 0.150 nan 8.230 nan 0.000 0.432 170 E N -0.383 119.830 120.200 0.021 0.000 2.150 170 E HA -0.165 4.185 4.350 0.001 0.000 0.193 170 E C 2.164 178.774 176.600 0.017 0.000 0.985 170 E CA 1.355 57.759 56.400 0.007 0.000 0.814 170 E CB -0.018 29.667 29.700 -0.025 0.000 0.752 170 E HN 0.497 nan 8.360 nan 0.000 0.466 171 S N -0.510 115.208 115.700 0.030 0.000 2.561 171 S HA 0.092 4.562 4.470 0.001 0.000 0.225 171 S C 1.551 176.192 174.600 0.068 0.000 0.977 171 S CA 0.396 58.623 58.200 0.046 0.000 0.926 171 S CB 0.256 63.493 63.200 0.063 0.000 0.769 171 S HN 0.338 nan 8.310 nan 0.000 0.533 172 G N 0.871 109.717 108.800 0.075 0.000 2.160 172 G HA2 -0.240 3.720 3.960 0.001 0.000 0.244 172 G HA3 -0.240 3.720 3.960 0.001 0.000 0.244 172 G C 0.332 175.290 174.900 0.097 0.000 1.022 172 G CA 0.374 45.520 45.100 0.076 0.000 0.741 172 G HN 0.635 nan 8.290 nan 0.000 0.508 173 L N 0.052 121.350 121.223 0.124 0.000 2.072 173 L HA 0.393 4.734 4.340 0.001 0.000 0.205 173 L C 1.593 178.522 176.870 0.098 0.000 1.079 173 L CA 1.329 56.243 54.840 0.124 0.000 0.752 173 L CB -0.004 42.145 42.059 0.151 0.000 0.906 173 L HN 0.392 nan 8.230 nan 0.000 0.436 174 I N 0.239 120.863 120.570 0.091 0.000 2.337 174 I HA 0.027 4.197 4.170 0.001 0.000 0.291 174 I C 1.051 177.197 176.117 0.048 0.000 1.046 174 I CA -0.138 61.199 61.300 0.062 0.000 1.324 174 I CB 1.181 39.225 38.000 0.073 0.000 1.409 174 I HN 0.172 nan 8.210 nan 0.000 0.494 175 I N 5.159 125.753 120.570 0.040 0.000 2.277 175 I HA -0.090 4.080 4.170 0.001 0.000 0.243 175 I C 0.496 176.622 176.117 0.015 0.000 1.094 175 I CA 1.424 62.757 61.300 0.055 0.000 1.393 175 I CB 0.095 38.146 38.000 0.085 0.000 1.078 175 I HN 0.833 nan 8.210 nan 0.000 0.417 176 D N -1.352 119.014 120.400 -0.057 0.000 2.583 176 D HA 0.351 4.992 4.640 0.001 0.000 0.248 176 D C -1.075 175.115 176.300 -0.183 0.000 1.209 176 D CA -0.518 53.425 54.000 -0.094 0.000 0.848 176 D CB 1.100 41.874 40.800 -0.043 0.000 1.431 176 D HN -0.208 nan 8.370 nan 0.000 0.436 177 I N 1.225 121.642 120.570 -0.256 0.000 2.354 177 I HA 0.226 4.396 4.170 0.001 0.000 0.286 177 I C -0.258 175.708 176.117 -0.251 0.000 1.007 177 I CA -0.644 60.443 61.300 -0.354 0.000 1.167 177 I CB 1.133 38.742 38.000 -0.651 0.000 1.320 177 I HN 0.455 nan 8.210 nan 0.000 0.458 178 E N 6.063 126.128 120.200 -0.224 0.000 2.089 178 E HA 0.238 4.589 4.350 0.001 0.000 0.284 178 E C -0.143 176.349 176.600 -0.179 0.000 1.023 178 E CA -0.477 55.820 56.400 -0.171 0.000 0.819 178 E CB 2.430 32.038 29.700 -0.153 0.000 1.076 178 E HN 0.449 nan 8.360 nan 0.000 0.396 179 V N 0.533 120.367 119.914 -0.133 0.000 2.389 179 V HA 0.499 4.619 4.120 0.001 0.000 0.264 179 V C 0.645 176.689 176.094 -0.083 0.000 1.049 179 V CA -0.673 61.572 62.300 -0.092 0.000 0.932 179 V CB 0.749 32.547 31.823 -0.042 0.000 1.011 179 V HN 0.600 nan 8.190 nan 0.000 0.475 180 G N 4.238 112.988 108.800 -0.084 0.000 2.340 180 G HA2 0.418 4.379 3.960 0.001 0.000 0.245 180 G HA3 0.418 4.379 3.960 0.001 0.000 0.245 180 G C 0.005 174.904 174.900 -0.001 0.000 1.294 180 G CA -0.355 44.716 45.100 -0.049 0.000 0.896 180 G HN 0.774 nan 8.290 nan 0.000 0.522 181 L N 1.805 122.963 121.223 -0.109 0.000 3.135 181 L HA 0.465 4.806 4.340 0.001 0.000 0.279 181 L C 1.142 177.808 176.870 -0.339 0.000 1.200 181 L CA 0.645 55.437 54.840 -0.079 0.000 1.016 181 L CB 0.079 42.102 42.059 -0.060 0.000 1.391 181 L HN 0.931 nan 8.230 nan 0.000 0.588 182 G N -1.693 106.632 108.800 -0.792 0.000 2.335 182 G HA2 0.281 4.241 3.960 0.001 0.000 0.291 182 G HA3 0.281 4.241 3.960 0.001 0.000 0.291 182 G C -3.120 171.303 174.900 -0.795 0.000 1.261 182 G CA -0.643 43.657 45.100 -1.334 0.000 0.871 182 G HN -0.278 nan 8.290 nan 0.000 0.491 183 P HA 0.353 nan 4.420 nan 0.000 0.264 183 P C 0.647 177.738 177.300 -0.348 0.000 1.183 183 P CA 1.948 64.910 63.100 -0.228 0.000 0.763 183 P CB 1.109 32.695 31.700 -0.191 0.000 0.807 184 A N 3.703 126.306 122.820 -0.361 0.000 2.816 184 A HA -0.106 4.214 4.320 0.001 0.000 0.270 184 A C 1.556 178.694 177.584 -0.744 0.000 1.413 184 A CA 1.440 53.235 52.037 -0.403 0.000 0.866 184 A CB -2.444 16.474 19.000 -0.137 0.000 1.032 184 A HN 1.058 nan 8.150 nan 0.000 0.642 185 G N -2.092 105.960 108.800 -1.246 0.000 2.168 185 G HA2 -0.255 3.705 3.960 0.001 0.000 0.263 185 G HA3 -0.255 3.705 3.960 0.001 0.000 0.263 185 G C -0.175 174.519 174.900 -0.342 0.000 0.977 185 G CA 1.100 45.794 45.100 -0.677 0.000 0.659 185 G HN 1.264 nan 8.290 nan 0.000 0.533 186 E N -0.789 119.221 120.200 -0.317 0.000 2.214 186 E HA 0.544 4.895 4.350 0.001 0.000 0.274 186 E C 0.012 176.505 176.600 -0.178 0.000 0.977 186 E CA -1.141 55.153 56.400 -0.176 0.000 0.827 186 E CB 1.724 31.364 29.700 -0.101 0.000 1.130 186 E HN 0.159 nan 8.360 nan 0.000 0.394 187 L N 4.716 125.897 121.223 -0.071 0.000 2.505 187 L HA 0.135 4.475 4.340 0.001 0.000 0.279 187 L C -0.345 176.464 176.870 -0.103 0.000 1.211 187 L CA 0.818 55.620 54.840 -0.064 0.000 1.059 187 L CB -1.048 41.029 42.059 0.031 0.000 1.340 187 L HN 0.562 nan 8.230 nan 0.000 0.447 188 R N 2.033 122.347 120.500 -0.311 0.000 2.741 188 R HA 0.354 4.694 4.340 0.001 0.000 0.276 188 R C -1.608 174.357 176.300 -0.559 0.000 1.028 188 R CA -0.999 54.815 56.100 -0.477 0.000 0.865 188 R CB 0.417 30.515 30.300 -0.336 0.000 1.268 188 R HN 0.104 nan 8.270 nan 0.000 0.475 189 Y N 0.701 120.723 120.300 -0.464 0.000 2.335 189 Y HA 0.368 4.918 4.550 0.000 0.000 0.323 189 Y C -1.649 173.983 175.900 -0.446 0.000 1.224 189 Y CA -2.296 55.456 58.100 -0.579 0.000 1.241 189 Y CB 1.175 39.355 38.460 -0.467 0.000 1.235 189 Y HN 0.396 nan 8.280 nan 0.000 0.492 190 P HA 0.035 nan 4.420 nan 0.000 0.225 190 P C 0.115 177.305 177.300 -0.183 0.000 1.813 190 P CA 0.106 63.045 63.100 -0.268 0.000 1.013 190 P CB -0.101 31.531 31.700 -0.113 0.000 1.961 191 S N 0.224 115.844 115.700 -0.134 0.000 2.481 191 S HA -0.114 4.356 4.470 0.001 0.000 0.231 191 S C 0.719 175.347 174.600 0.048 0.000 0.996 191 S CA 0.225 58.460 58.200 0.058 0.000 0.942 191 S CB -1.008 62.259 63.200 0.112 0.000 0.768 191 S HN 0.407 nan 8.310 nan 0.000 0.520 192 Y N 0.480 120.557 120.300 -0.373 0.000 2.658 192 Y HA 0.648 5.199 4.550 0.001 0.000 0.362 192 Y C -3.226 172.321 175.900 -0.589 0.000 1.017 192 Y CA -4.085 53.439 58.100 -0.960 0.000 1.134 192 Y CB 0.087 37.444 38.460 -1.838 0.000 1.144 192 Y HN -0.004 nan 8.280 nan 0.000 0.655 193 P HA 0.170 nan 4.420 nan 0.000 0.291 193 P C 0.017 177.307 177.300 -0.016 0.000 1.340 193 P CA -0.067 62.904 63.100 -0.215 0.000 0.799 193 P CB 1.948 33.508 31.700 -0.234 0.000 0.917 194 Q N 1.886 121.765 119.800 0.131 0.000 2.135 194 Q HA -0.141 4.199 4.340 0.001 0.000 0.204 194 Q C 2.031 178.066 176.000 0.059 0.000 0.981 194 Q CA 2.234 58.147 55.803 0.183 0.000 0.856 194 Q CB -0.255 28.590 28.738 0.178 0.000 0.902 194 Q HN 0.598 nan 8.270 nan 0.000 0.425 195 S N 0.187 115.897 115.700 0.017 0.000 2.469 195 S HA -0.168 4.303 4.470 0.001 0.000 0.238 195 S C 1.407 176.000 174.600 -0.011 0.000 0.998 195 S CA 0.934 59.135 58.200 0.001 0.000 0.957 195 S CB -0.042 63.156 63.200 -0.004 0.000 0.764 195 S HN 0.377 nan 8.310 nan 0.000 0.514 196 Q N 0.266 120.034 119.800 -0.055 0.000 2.198 196 Q HA 0.384 4.724 4.340 0.001 0.000 0.209 196 Q C 0.991 176.971 176.000 -0.033 0.000 0.848 196 Q CA 0.174 55.945 55.803 -0.054 0.000 0.974 196 Q CB 0.722 29.386 28.738 -0.123 0.000 1.115 196 Q HN 0.732 nan 8.270 nan 0.000 0.494 197 G N 1.033 109.829 108.800 -0.008 0.000 2.157 197 G HA2 -0.263 3.698 3.960 0.001 0.000 0.239 197 G HA3 -0.263 3.698 3.960 0.001 0.000 0.239 197 G C -0.297 174.626 174.900 0.038 0.000 0.982 197 G CA -0.147 44.966 45.100 0.023 0.000 0.650 197 G HN 0.467 nan 8.290 nan 0.000 0.527 198 W N 1.535 122.741 121.300 -0.158 0.000 2.170 198 W HA 0.563 5.223 4.660 0.000 0.000 0.342 198 W C 0.295 176.818 176.519 0.005 0.000 1.294 198 W CA 0.471 57.772 57.345 -0.074 0.000 1.246 198 W CB 0.555 29.945 29.460 -0.117 0.000 1.156 198 W HN 0.282 nan 8.180 nan 0.000 0.572 199 E N 5.926 125.387 120.200 -1.231 0.000 2.278 199 E HA 0.182 4.533 4.350 0.001 0.000 0.272 199 E C -1.487 174.163 176.600 -1.583 0.000 0.890 199 E CA -1.056 54.640 56.400 -1.173 0.000 0.770 199 E CB 0.786 30.183 29.700 -0.504 0.000 1.212 199 E HN 0.339 nan 8.360 nan 0.000 0.415 200 F N 6.486 125.442 119.950 -1.656 0.000 2.629 200 F HA 0.147 4.675 4.527 0.001 0.000 0.377 200 F C -1.671 173.763 175.800 -0.610 0.000 1.101 200 F CA -0.939 56.414 58.000 -1.079 0.000 1.301 200 F CB 0.877 39.435 39.000 -0.737 0.000 1.062 200 F HN 0.312 nan 8.300 nan 0.000 0.583 201 P HA 0.229 nan 4.420 nan 0.000 0.223 201 P C -0.114 177.116 177.300 -0.117 0.000 1.878 201 P CA -0.225 62.092 63.100 -1.306 0.000 1.038 201 P CB 0.162 30.854 31.700 -1.680 0.000 1.774 202 G N 1.377 110.171 108.800 -0.011 0.000 2.484 202 G HA2 0.079 4.039 3.960 0.001 0.000 0.235 202 G HA3 0.079 4.039 3.960 0.001 0.000 0.235 202 G C 1.200 176.591 174.900 0.818 0.000 1.282 202 G CA -0.545 44.791 45.100 0.393 0.000 0.857 202 G HN 0.386 nan 8.290 nan 0.000 0.571 203 I N 0.342 121.188 120.570 0.461 0.000 2.614 203 I HA 0.278 4.449 4.170 0.001 0.000 0.258 203 I C 1.261 177.504 176.117 0.210 0.000 1.189 203 I CA 0.611 62.033 61.300 0.204 0.000 1.462 203 I CB -0.809 37.023 38.000 -0.279 0.000 1.092 203 I HN 0.977 nan 8.210 nan 0.000 0.442 204 G N 1.193 110.225 108.800 0.387 0.000 2.728 204 G HA2 -0.163 3.798 3.960 0.001 0.000 0.294 204 G HA3 -0.163 3.798 3.960 0.001 0.000 0.294 204 G C -0.815 174.126 174.900 0.069 0.000 1.342 204 G CA -0.339 44.969 45.100 0.346 0.000 0.866 204 G HN 0.560 nan 8.290 nan 0.000 0.534 205 E N -1.133 119.081 120.200 0.025 0.000 2.340 205 E HA 0.555 4.906 4.350 0.001 0.000 0.273 205 E C -0.746 175.764 176.600 -0.150 0.000 0.891 205 E CA -0.868 55.384 56.400 -0.247 0.000 0.757 205 E CB 1.510 30.898 29.700 -0.520 0.000 1.231 205 E HN 0.326 nan 8.360 nan 0.000 0.439 206 F N 1.502 121.432 119.950 -0.034 0.000 2.518 206 F HA 0.043 4.570 4.527 0.001 0.000 0.359 206 F C 1.202 177.063 175.800 0.101 0.000 1.118 206 F CA 0.117 58.072 58.000 -0.074 0.000 1.287 206 F CB 0.506 39.327 39.000 -0.300 0.000 1.132 206 F HN 0.189 nan 8.300 nan 0.000 0.587 207 Q N 2.806 122.767 119.800 0.267 0.000 2.628 207 Q HA 0.212 4.553 4.340 0.001 0.000 0.397 207 Q C -0.129 176.034 176.000 0.271 0.000 0.916 207 Q CA 0.014 55.972 55.803 0.259 0.000 1.071 207 Q CB 0.802 29.590 28.738 0.083 0.000 1.367 207 Q HN 0.810 nan 8.270 nan 0.000 0.404 208 C N -2.422 117.007 119.300 0.216 0.000 2.849 208 C HA 0.448 4.909 4.460 0.001 0.000 0.271 208 C C 0.660 175.609 174.990 -0.068 0.000 1.519 208 C CA -0.634 58.475 59.018 0.151 0.000 1.783 208 C CB -1.516 26.361 27.740 0.230 0.000 2.869 208 C HN 0.376 nan 8.230 nan 0.000 0.527 209 Y N 1.990 122.413 120.300 0.205 0.000 2.457 209 Y HA 0.179 4.730 4.550 0.001 0.000 0.263 209 Y C 1.043 177.042 175.900 0.166 0.000 1.164 209 Y CA -0.459 57.725 58.100 0.140 0.000 1.274 209 Y CB -0.365 38.139 38.460 0.074 0.000 1.097 209 Y HN 0.534 nan 8.280 nan 0.000 0.523 210 D N 0.177 120.772 120.400 0.326 0.000 2.382 210 D HA -0.010 4.631 4.640 0.001 0.000 0.240 210 D C 1.283 177.693 176.300 0.184 0.000 1.146 210 D CA -0.382 53.781 54.000 0.271 0.000 0.897 210 D CB 0.841 41.833 40.800 0.321 0.000 1.197 210 D HN 0.280 nan 8.370 nan 0.000 0.432 211 K N 0.544 120.975 120.400 0.051 0.000 2.211 211 K HA -0.294 4.027 4.320 0.001 0.000 0.204 211 K C 1.135 177.673 176.600 -0.102 0.000 1.047 211 K CA 1.182 57.418 56.287 -0.085 0.000 0.935 211 K CB -0.478 31.872 32.500 -0.249 0.000 0.728 211 K HN 0.549 nan 8.250 nan 0.000 0.452 212 Y N 1.495 121.875 120.300 0.133 0.000 2.184 212 Y HA -0.027 4.523 4.550 0.000 0.000 0.290 212 Y C 2.274 178.303 175.900 0.215 0.000 1.129 212 Y CA 0.974 59.157 58.100 0.140 0.000 1.144 212 Y CB -0.331 38.191 38.460 0.104 0.000 0.995 212 Y HN -0.098 nan 8.280 nan 0.000 0.513 213 L N 0.043 121.518 121.223 0.420 0.000 2.093 213 L HA -0.209 4.131 4.340 0.001 0.000 0.208 213 L C 2.494 179.655 176.870 0.485 0.000 1.085 213 L CA 1.476 56.627 54.840 0.519 0.000 0.755 213 L CB -0.496 41.873 42.059 0.517 0.000 0.904 213 L HN 0.178 nan 8.230 nan 0.000 0.435 214 K N 0.555 121.122 120.400 0.279 0.000 2.057 214 K HA -0.191 4.129 4.320 0.001 0.000 0.207 214 K C 2.120 178.830 176.600 0.183 0.000 1.049 214 K CA 1.398 57.785 56.287 0.167 0.000 0.931 214 K CB -0.038 32.523 32.500 0.102 0.000 0.714 214 K HN 0.269 nan 8.250 nan 0.000 0.440 215 A N 0.995 123.917 122.820 0.169 0.000 1.930 215 A HA -0.186 4.135 4.320 0.001 0.000 0.217 215 A C 1.783 179.468 177.584 0.167 0.000 1.175 215 A CA 1.963 54.080 52.037 0.133 0.000 0.627 215 A CB -0.626 18.435 19.000 0.102 0.000 0.815 215 A HN 0.539 nan 8.150 nan 0.000 0.443 216 D N -1.390 119.178 120.400 0.279 0.000 2.117 216 D HA -0.169 4.471 4.640 0.001 0.000 0.197 216 D C 1.634 178.083 176.300 0.249 0.000 0.987 216 D CA 1.459 55.665 54.000 0.343 0.000 0.829 216 D CB -0.242 40.884 40.800 0.544 0.000 0.961 216 D HN 0.355 nan 8.370 nan 0.000 0.460 217 F N 1.325 121.236 119.950 -0.066 0.000 2.102 217 F HA -0.108 4.419 4.527 0.001 0.000 0.298 217 F C 1.989 177.640 175.800 -0.249 0.000 1.105 217 F CA 1.329 58.942 58.000 -0.645 0.000 1.239 217 F CB -0.090 38.299 39.000 -1.019 0.000 0.991 217 F HN -0.164 nan 8.300 nan 0.000 0.474 218 K N 0.494 120.807 120.400 -0.146 0.000 2.057 218 K HA -0.129 4.191 4.320 0.001 0.000 0.207 218 K C 2.299 178.790 176.600 -0.181 0.000 1.049 218 K CA 1.239 57.422 56.287 -0.174 0.000 0.931 218 K CB -0.910 31.586 32.500 -0.007 0.000 0.714 218 K HN 0.398 nan 8.250 nan 0.000 0.440 219 A N 1.508 124.277 122.820 -0.084 0.000 1.898 219 A HA -0.051 4.270 4.320 0.001 0.000 0.216 219 A C 2.430 179.974 177.584 -0.067 0.000 1.181 219 A CA 1.810 53.819 52.037 -0.047 0.000 0.620 219 A CB -0.526 18.491 19.000 0.029 0.000 0.819 219 A HN 0.304 nan 8.150 nan 0.000 0.442 220 A N 0.077 122.860 122.820 -0.062 0.000 1.877 220 A HA -0.049 4.271 4.320 0.001 0.000 0.216 220 A C 2.305 179.855 177.584 -0.057 0.000 1.186 220 A CA 2.346 54.407 52.037 0.040 0.000 0.620 220 A CB -1.287 17.788 19.000 0.126 0.000 0.822 220 A HN 1.129 nan 8.150 nan 0.000 0.443 221 V N -2.537 117.169 119.914 -0.346 0.000 2.626 221 V HA 0.024 4.145 4.120 0.001 0.000 0.252 221 V C 2.481 178.297 176.094 -0.462 0.000 1.067 221 V CA 1.627 63.598 62.300 -0.548 0.000 1.081 221 V CB -1.433 30.058 31.823 -0.554 0.000 0.686 221 V HN 0.502 nan 8.190 nan 0.000 0.468 222 A N 0.882 123.515 122.820 -0.313 0.000 1.898 222 A HA -0.096 4.225 4.320 0.001 0.000 0.216 222 A C 2.439 179.883 177.584 -0.234 0.000 1.181 222 A CA 1.686 53.567 52.037 -0.260 0.000 0.620 222 A CB -0.533 18.364 19.000 -0.172 0.000 0.819 222 A HN 0.535 nan 8.150 nan 0.000 0.442 223 R N -0.534 119.870 120.500 -0.161 0.000 2.148 223 R HA -0.012 4.328 4.340 0.001 0.000 0.227 223 R C 2.095 178.314 176.300 -0.135 0.000 1.103 223 R CA 0.988 57.026 56.100 -0.104 0.000 0.983 223 R CB -0.341 29.948 30.300 -0.018 0.000 0.874 223 R HN 0.487 nan 8.270 nan 0.000 0.451 224 A N 0.099 122.790 122.820 -0.215 0.000 2.206 224 A HA 0.177 4.498 4.320 0.001 0.000 0.211 224 A C 1.407 178.752 177.584 -0.398 0.000 1.158 224 A CA 0.900 52.784 52.037 -0.255 0.000 0.761 224 A CB -0.020 18.699 19.000 -0.468 0.000 0.801 224 A HN 0.451 nan 8.150 nan 0.000 0.473 225 G N -1.625 106.891 108.800 -0.474 0.000 2.141 225 G HA2 -0.175 3.785 3.960 0.001 0.000 0.231 225 G HA3 -0.175 3.785 3.960 0.001 0.000 0.231 225 G C -0.034 174.252 174.900 -1.023 0.000 0.984 225 G CA 0.230 44.953 45.100 -0.629 0.000 0.660 225 G HN 0.663 nan 8.290 nan 0.000 0.525 226 H N -0.125 118.469 119.070 -0.795 0.000 2.379 226 H HA 0.224 4.780 4.556 0.001 0.000 0.229 226 H C -1.868 173.000 175.328 -0.767 0.000 1.423 226 H CA -0.654 54.759 56.048 -1.058 0.000 1.375 226 H CB 1.587 29.939 29.762 -2.350 0.000 1.592 226 H HN 0.245 nan 8.280 nan 0.000 0.507 227 P HA -0.145 nan 4.420 nan 0.000 0.228 227 P C 1.226 178.437 177.300 -0.147 0.000 1.151 227 P CA 0.980 63.931 63.100 -0.248 0.000 0.770 227 P CB 0.453 32.036 31.700 -0.196 0.000 0.786 228 E N -1.533 118.586 120.200 -0.136 0.000 2.442 228 E HA -0.090 4.260 4.350 0.001 0.000 0.195 228 E C 0.263 176.949 176.600 0.142 0.000 1.030 228 E CA -0.005 56.391 56.400 -0.007 0.000 0.869 228 E CB -0.718 28.983 29.700 0.001 0.000 0.857 228 E HN 0.148 nan 8.360 nan 0.000 0.505 229 W N 2.567 123.839 121.300 -0.047 0.000 2.223 229 W HA 0.187 4.847 4.660 0.001 0.000 0.334 229 W C 0.740 177.310 176.519 0.085 0.000 1.334 229 W CA -0.397 56.938 57.345 -0.016 0.000 1.246 229 W CB 0.288 29.703 29.460 -0.074 0.000 1.184 229 W HN -0.067 nan 8.180 nan 0.000 0.563 230 E N 1.839 122.227 120.200 0.313 0.000 2.320 230 E HA 0.332 4.682 4.350 0.001 0.000 0.264 230 E C -0.157 176.450 176.600 0.012 0.000 0.923 230 E CA -1.249 55.285 56.400 0.222 0.000 0.796 230 E CB 1.839 31.586 29.700 0.079 0.000 1.262 230 E HN -0.038 nan 8.360 nan 0.000 0.428 231 L N 1.732 122.795 121.223 -0.267 0.000 2.492 231 L HA 0.127 4.467 4.340 0.001 0.000 0.280 231 L C -1.922 174.593 176.870 -0.591 0.000 1.240 231 L CA -1.218 53.137 54.840 -0.809 0.000 0.831 231 L CB -1.189 40.377 42.059 -0.822 0.000 1.100 231 L HN 0.202 nan 8.230 nan 0.000 0.505 232 P HA 0.005 nan 4.420 nan 0.000 0.264 232 P C -0.335 176.795 177.300 -0.283 0.000 1.183 232 P CA 0.327 63.038 63.100 -0.648 0.000 0.763 232 P CB 0.376 31.399 31.700 -1.127 0.000 0.807 233 D N 0.676 120.966 120.400 -0.183 0.000 2.539 233 D HA 0.003 4.643 4.640 0.001 0.000 0.232 233 D C -0.113 176.133 176.300 -0.091 0.000 1.256 233 D CA -0.006 53.926 54.000 -0.114 0.000 0.810 233 D CB -0.221 40.532 40.800 -0.080 0.000 1.090 233 D HN 0.281 nan 8.370 nan 0.000 0.519 234 D N -0.126 120.226 120.400 -0.080 0.000 2.673 234 D HA 0.276 4.917 4.640 0.001 0.000 0.278 234 D C 0.817 177.113 176.300 -0.007 0.000 1.393 234 D CA -0.427 53.555 54.000 -0.030 0.000 0.805 234 D CB 0.076 40.877 40.800 0.001 0.000 1.110 234 D HN 0.114 nan 8.370 nan 0.000 0.476 235 A N 0.242 123.014 122.820 -0.081 0.000 2.275 235 A HA 0.625 4.946 4.320 0.001 0.000 0.212 235 A C 1.442 179.025 177.584 -0.002 0.000 1.201 235 A CA 0.455 52.447 52.037 -0.076 0.000 0.843 235 A CB -0.482 18.385 19.000 -0.221 0.000 0.873 235 A HN 0.661 nan 8.150 nan 0.000 0.492 236 G N -0.196 108.583 108.800 -0.036 0.000 2.598 236 G HA2 -0.210 3.750 3.960 0.001 0.000 0.244 236 G HA3 -0.210 3.750 3.960 0.001 0.000 0.244 236 G C -0.245 174.595 174.900 -0.100 0.000 1.302 236 G CA 0.159 45.234 45.100 -0.042 0.000 0.903 236 G HN 0.564 nan 8.290 nan 0.000 0.575 237 K N -1.253 119.097 120.400 -0.083 0.000 2.346 237 K HA 0.558 4.878 4.320 0.001 0.000 0.238 237 K C 1.007 177.584 176.600 -0.039 0.000 1.039 237 K CA -0.842 55.360 56.287 -0.142 0.000 0.861 237 K CB 1.301 33.750 32.500 -0.084 0.000 1.278 237 K HN 0.381 nan 8.250 nan 0.000 0.460 238 Y N 1.103 121.464 120.300 0.103 0.000 2.038 238 Y HA -0.318 4.233 4.550 0.001 0.000 0.266 238 Y C 1.576 177.635 175.900 0.264 0.000 1.220 238 Y CA 1.779 60.022 58.100 0.238 0.000 1.107 238 Y CB -0.461 38.181 38.460 0.304 0.000 0.932 238 Y HN 0.544 nan 8.280 nan 0.000 0.500 239 N N 0.504 119.383 118.700 0.297 0.000 2.362 239 N HA -0.021 4.719 4.740 0.001 0.000 0.204 239 N C -0.334 175.228 175.510 0.086 0.000 1.166 239 N CA 0.250 53.381 53.050 0.136 0.000 0.831 239 N CB -0.204 38.306 38.487 0.039 0.000 1.008 239 N HN 0.385 nan 8.380 nan 0.000 0.472 240 D N 0.271 120.718 120.400 0.079 0.000 2.398 240 D HA 0.102 4.742 4.640 0.001 0.000 0.247 240 D C -0.057 176.232 176.300 -0.019 0.000 1.227 240 D CA -0.067 53.945 54.000 0.019 0.000 0.980 240 D CB 2.033 42.831 40.800 -0.004 0.000 1.106 240 D HN -0.236 nan 8.370 nan 0.000 0.493 241 V N 1.847 121.711 119.914 -0.084 0.000 2.581 241 V HA 0.195 4.315 4.120 0.001 0.000 0.303 241 V C -1.437 174.437 176.094 -0.366 0.000 1.041 241 V CA -2.009 60.147 62.300 -0.241 0.000 0.907 241 V CB 2.028 33.806 31.823 -0.076 0.000 0.994 241 V HN 0.391 nan 8.190 nan 0.000 0.442 242 P HA -0.222 nan 4.420 nan 0.000 0.216 242 P C 1.148 178.351 177.300 -0.162 0.000 1.153 242 P CA 1.712 64.542 63.100 -0.450 0.000 0.858 242 P CB 0.083 31.356 31.700 -0.712 0.000 0.789 243 E N 0.833 120.931 120.200 -0.169 0.000 2.401 243 E HA -0.105 4.245 4.350 0.001 0.000 0.199 243 E C 1.438 178.023 176.600 -0.025 0.000 1.023 243 E CA 1.386 57.752 56.400 -0.057 0.000 0.859 243 E CB -0.962 28.716 29.700 -0.037 0.000 0.780 243 E HN 0.375 nan 8.360 nan 0.000 0.523 244 S N 0.208 115.886 115.700 -0.037 0.000 2.577 244 S HA 0.054 4.524 4.470 0.001 0.000 0.219 244 S C 0.774 175.378 174.600 0.006 0.000 0.962 244 S CA 0.001 58.193 58.200 -0.013 0.000 0.921 244 S CB -0.268 62.921 63.200 -0.017 0.000 0.789 244 S HN 0.346 nan 8.310 nan 0.000 0.497 245 T N -3.081 111.492 114.554 0.031 0.000 2.932 245 T HA 0.708 5.058 4.350 0.001 0.000 0.289 245 T C 1.150 175.887 174.700 0.062 0.000 1.039 245 T CA -0.202 61.935 62.100 0.063 0.000 1.024 245 T CB 1.381 70.336 68.868 0.145 0.000 1.090 245 T HN 0.052 nan 8.240 nan 0.000 0.496 246 G N -0.217 108.612 108.800 0.048 0.000 2.551 246 G HA2 0.032 3.993 3.960 0.001 0.000 0.216 246 G HA3 0.032 3.993 3.960 0.001 0.000 0.216 246 G C 0.919 175.833 174.900 0.023 0.000 1.137 246 G CA -0.119 44.997 45.100 0.027 0.000 0.798 246 G HN 0.677 nan 8.290 nan 0.000 0.536 247 F N 0.343 120.202 119.950 -0.152 0.000 2.187 247 F HA 0.231 4.759 4.527 0.001 0.000 0.295 247 F C 1.595 177.215 175.800 -0.301 0.000 1.091 247 F CA 0.861 58.677 58.000 -0.308 0.000 1.308 247 F CB 0.250 38.908 39.000 -0.571 0.000 1.030 247 F HN 0.098 nan 8.300 nan 0.000 0.487 248 F N 0.667 120.697 119.950 0.133 0.000 2.695 248 F HA 0.180 4.708 4.527 0.001 0.000 0.303 248 F C 0.923 176.671 175.800 -0.087 0.000 1.091 248 F CA -0.464 57.467 58.000 -0.115 0.000 1.300 248 F CB -0.764 38.136 39.000 -0.167 0.000 1.071 248 F HN -0.213 nan 8.300 nan 0.000 0.578 249 K N -0.029 120.459 120.400 0.147 0.000 2.180 249 K HA 0.260 4.580 4.320 0.001 0.000 0.251 249 K C 0.661 177.362 176.600 0.169 0.000 1.014 249 K CA -0.476 55.876 56.287 0.108 0.000 0.913 249 K CB 0.603 33.140 32.500 0.061 0.000 1.008 249 K HN -0.071 nan 8.250 nan 0.000 0.490 250 S N 1.487 117.261 115.700 0.123 0.000 2.563 250 S HA -0.069 4.402 4.470 0.001 0.000 0.294 250 S C 0.055 174.697 174.600 0.071 0.000 1.279 250 S CA 0.259 58.531 58.200 0.120 0.000 1.069 250 S CB -0.691 62.551 63.200 0.071 0.000 0.828 250 S HN 0.856 nan 8.310 nan 0.000 0.497 251 N N 1.532 120.251 118.700 0.031 0.000 2.753 251 N HA -0.140 4.601 4.740 0.001 0.000 0.251 251 N C 0.401 175.866 175.510 -0.075 0.000 1.097 251 N CA 1.163 54.181 53.050 -0.054 0.000 0.786 251 N CB -1.796 36.669 38.487 -0.036 0.000 1.137 251 N HN 0.768 nan 8.380 nan 0.000 0.566 252 G N -0.381 108.408 108.800 -0.019 0.000 2.525 252 G HA2 0.221 4.182 3.960 0.001 0.000 0.276 252 G HA3 0.221 4.182 3.960 0.001 0.000 0.276 252 G C 1.135 175.905 174.900 -0.215 0.000 1.388 252 G CA 0.653 45.722 45.100 -0.052 0.000 1.050 252 G HN 0.146 nan 8.290 nan 0.000 0.520 253 T N -0.177 114.193 114.554 -0.306 0.000 2.833 253 T HA -0.205 4.145 4.350 0.001 0.000 0.269 253 T C 2.012 176.273 174.700 -0.731 0.000 1.054 253 T CA 2.082 63.900 62.100 -0.469 0.000 1.135 253 T CB -0.429 68.210 68.868 -0.382 0.000 0.869 253 T HN 0.618 nan 8.240 nan 0.000 0.466 254 Y N 0.594 120.169 120.300 -1.208 0.000 2.483 254 Y HA 0.139 4.689 4.550 0.001 0.000 0.291 254 Y C 1.795 177.494 175.900 -0.334 0.000 1.143 254 Y CA -0.108 57.420 58.100 -0.952 0.000 1.289 254 Y CB -0.754 37.272 38.460 -0.723 0.000 0.983 254 Y HN 0.049 nan 8.280 nan 0.000 0.556 255 V N 0.776 120.190 119.914 -0.834 0.000 3.650 255 V HA 0.010 4.130 4.120 0.001 0.000 0.271 255 V C 1.131 177.028 176.094 -0.329 0.000 1.281 255 V CA 0.867 62.782 62.300 -0.641 0.000 1.120 255 V CB -0.593 30.801 31.823 -0.714 0.000 0.856 255 V HN 0.653 nan 8.190 nan 0.000 0.443 256 T N -2.844 111.526 114.554 -0.306 0.000 2.849 256 T HA 0.142 4.492 4.350 0.001 0.000 0.284 256 T C 1.097 175.689 174.700 -0.180 0.000 1.004 256 T CA -0.052 61.917 62.100 -0.218 0.000 1.021 256 T CB 1.326 70.052 68.868 -0.236 0.000 1.013 256 T HN 0.328 nan 8.240 nan 0.000 0.527 257 E N 0.341 120.462 120.200 -0.132 0.000 2.118 257 E HA -0.223 4.127 4.350 0.001 0.000 0.195 257 E C 2.045 178.484 176.600 -0.268 0.000 0.992 257 E CA 1.296 57.657 56.400 -0.065 0.000 0.804 257 E CB -0.070 29.660 29.700 0.050 0.000 0.741 257 E HN 0.761 nan 8.360 nan 0.000 0.458 258 K N -0.301 119.722 120.400 -0.628 0.000 2.026 258 K HA -0.121 4.199 4.320 0.001 0.000 0.208 258 K C 2.138 178.443 176.600 -0.491 0.000 1.048 258 K CA 1.485 57.026 56.287 -1.243 0.000 0.929 258 K CB -0.380 31.363 32.500 -1.261 0.000 0.713 258 K HN 0.186 nan 8.250 nan 0.000 0.439 259 G N 1.284 109.909 108.800 -0.291 0.000 2.418 259 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 259 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 259 G C 1.357 176.286 174.900 0.048 0.000 1.158 259 G CA 0.769 45.813 45.100 -0.094 0.000 0.771 259 G HN 0.303 nan 8.290 nan 0.000 0.545 260 K N -0.698 119.714 120.400 0.021 0.000 2.097 260 K HA -0.010 4.311 4.320 0.001 0.000 0.206 260 K C 2.129 178.840 176.600 0.185 0.000 1.049 260 K CA 0.927 57.299 56.287 0.141 0.000 0.933 260 K CB -0.267 32.328 32.500 0.157 0.000 0.717 260 K HN 0.338 nan 8.250 nan 0.000 0.442 261 F N 0.986 120.976 119.950 0.067 0.000 2.102 261 F HA -0.223 4.305 4.527 0.001 0.000 0.298 261 F C 2.046 177.995 175.800 0.248 0.000 1.105 261 F CA 1.239 59.346 58.000 0.179 0.000 1.239 261 F CB -0.374 38.759 39.000 0.220 0.000 0.991 261 F HN -0.036 nan 8.300 nan 0.000 0.474 262 F N 0.977 121.081 119.950 0.257 0.000 2.069 262 F HA -0.239 4.288 4.527 0.000 0.000 0.298 262 F C 1.933 177.781 175.800 0.079 0.000 1.113 262 F CA 1.984 60.108 58.000 0.207 0.000 1.214 262 F CB -0.918 38.046 39.000 -0.060 0.000 0.978 262 F HN -0.022 nan 8.300 nan 0.000 0.474 263 L N -0.347 120.658 121.223 -0.364 0.000 2.079 263 L HA -0.258 4.083 4.340 0.001 0.000 0.210 263 L C 2.357 178.948 176.870 -0.466 0.000 1.081 263 L CA 1.886 56.330 54.840 -0.660 0.000 0.752 263 L CB -1.249 40.203 42.059 -1.012 0.000 0.896 263 L HN 0.211 nan 8.230 nan 0.000 0.433 264 T N -1.462 112.988 114.554 -0.173 0.000 2.737 264 T HA -0.241 4.110 4.350 0.001 0.000 0.265 264 T C 1.331 176.014 174.700 -0.028 0.000 1.038 264 T CA 1.499 63.634 62.100 0.059 0.000 1.144 264 T CB -0.385 68.528 68.868 0.074 0.000 0.866 264 T HN 0.522 nan 8.240 nan 0.000 0.434 265 W N 0.938 122.057 121.300 -0.300 0.000 2.354 265 W HA -0.208 4.452 4.660 0.001 0.000 0.315 265 W C 2.104 178.553 176.519 -0.115 0.000 1.206 265 W CA 0.913 58.132 57.345 -0.210 0.000 1.290 265 W CB -0.736 28.633 29.460 -0.152 0.000 1.152 265 W HN 0.252 nan 8.180 nan 0.000 0.489 266 Y N 1.910 121.971 120.300 -0.399 0.000 2.128 266 Y HA -0.292 4.259 4.550 0.001 0.000 0.284 266 Y C 2.886 178.616 175.900 -0.284 0.000 1.154 266 Y CA 2.960 60.696 58.100 -0.607 0.000 1.149 266 Y CB -0.940 36.990 38.460 -0.883 0.000 0.976 266 Y HN 0.080 nan 8.280 nan 0.000 0.505 267 S N -1.020 114.591 115.700 -0.148 0.000 2.414 267 S HA -0.140 4.331 4.470 0.001 0.000 0.227 267 S C 1.720 176.249 174.600 -0.118 0.000 1.022 267 S CA 1.099 59.245 58.200 -0.090 0.000 0.958 267 S CB -0.797 62.457 63.200 0.090 0.000 0.797 267 S HN 0.607 nan 8.310 nan 0.000 0.493 268 N N 1.378 119.998 118.700 -0.133 0.000 2.309 268 N HA -0.025 4.715 4.740 0.001 0.000 0.182 268 N C 1.470 176.878 175.510 -0.169 0.000 1.018 268 N CA 0.774 53.755 53.050 -0.116 0.000 0.876 268 N CB -0.005 38.426 38.487 -0.092 0.000 0.972 268 N HN 0.256 nan 8.380 nan 0.000 0.434 269 K N 1.141 121.360 120.400 -0.302 0.000 2.097 269 K HA -0.070 4.251 4.320 0.001 0.000 0.206 269 K C 1.937 178.429 176.600 -0.181 0.000 1.049 269 K CA 0.695 56.815 56.287 -0.279 0.000 0.933 269 K CB -0.422 31.833 32.500 -0.408 0.000 0.717 269 K HN 0.308 nan 8.250 nan 0.000 0.442 270 L N 0.445 121.523 121.223 -0.242 0.000 2.072 270 L HA -0.094 4.247 4.340 0.001 0.000 0.205 270 L C 2.437 179.279 176.870 -0.047 0.000 1.079 270 L CA 0.700 55.417 54.840 -0.206 0.000 0.752 270 L CB -0.449 41.413 42.059 -0.328 0.000 0.906 270 L HN 0.081 nan 8.230 nan 0.000 0.436 271 L N -0.187 121.008 121.223 -0.046 0.000 2.012 271 L HA -0.248 4.092 4.340 0.001 0.000 0.210 271 L C 2.380 179.256 176.870 0.010 0.000 1.073 271 L CA 1.286 56.123 54.840 -0.005 0.000 0.748 271 L CB -0.657 41.399 42.059 -0.006 0.000 0.891 271 L HN 0.400 nan 8.230 nan 0.000 0.431 272 N N -1.010 117.692 118.700 0.004 0.000 2.244 272 N HA -0.202 4.538 4.740 0.001 0.000 0.183 272 N C 1.796 177.334 175.510 0.047 0.000 1.016 272 N CA 1.138 54.201 53.050 0.022 0.000 0.866 272 N CB -0.319 38.176 38.487 0.013 0.000 0.980 272 N HN 0.421 nan 8.380 nan 0.000 0.430 273 H N 0.392 119.433 119.070 -0.049 0.000 2.290 273 H HA -0.035 4.521 4.556 0.000 0.000 0.298 273 H C 2.048 177.359 175.328 -0.029 0.000 1.087 273 H CA 2.301 58.328 56.048 -0.034 0.000 1.291 273 H CB -0.653 29.076 29.762 -0.055 0.000 1.369 273 H HN 0.190 nan 8.280 nan 0.000 0.492 274 G N -0.578 108.184 108.800 -0.064 0.000 2.418 274 G HA2 -0.300 3.660 3.960 0.001 0.000 0.217 274 G HA3 -0.300 3.660 3.960 0.001 0.000 0.217 274 G C 1.567 176.391 174.900 -0.126 0.000 1.158 274 G CA 0.979 45.997 45.100 -0.136 0.000 0.771 274 G HN 0.530 nan 8.290 nan 0.000 0.545 275 D N 0.205 120.585 120.400 -0.033 0.000 2.117 275 D HA -0.090 4.551 4.640 0.001 0.000 0.197 275 D C 2.622 178.934 176.300 0.021 0.000 0.987 275 D CA 1.129 55.162 54.000 0.056 0.000 0.829 275 D CB -0.151 40.708 40.800 0.098 0.000 0.961 275 D HN 0.429 nan 8.370 nan 0.000 0.460 276 Q N -0.493 119.294 119.800 -0.022 0.000 2.083 276 Q HA -0.020 4.320 4.340 0.001 0.000 0.198 276 Q C 2.469 178.427 176.000 -0.070 0.000 0.969 276 Q CA 0.819 56.608 55.803 -0.023 0.000 0.838 276 Q CB 0.095 28.824 28.738 -0.016 0.000 0.900 276 Q HN 0.407 nan 8.270 nan 0.000 0.436 277 I N 0.172 120.654 120.570 -0.147 0.000 2.439 277 I HA -0.225 3.945 4.170 0.001 0.000 0.251 277 I C 1.826 177.857 176.117 -0.144 0.000 1.139 277 I CA 0.454 61.665 61.300 -0.147 0.000 1.438 277 I CB -0.022 37.830 38.000 -0.247 0.000 1.085 277 I HN 0.194 nan 8.210 nan 0.000 0.427 278 L N 0.389 121.464 121.223 -0.247 0.000 2.141 278 L HA -0.218 4.123 4.340 0.001 0.000 0.209 278 L C 2.044 178.725 176.870 -0.315 0.000 1.094 278 L CA 1.786 56.380 54.840 -0.410 0.000 0.763 278 L CB -0.919 40.617 42.059 -0.870 0.000 0.908 278 L HN 0.214 nan 8.230 nan 0.000 0.437 279 D N -0.608 119.713 120.400 -0.133 0.000 2.117 279 D HA -0.170 4.470 4.640 0.001 0.000 0.197 279 D C 1.984 178.310 176.300 0.044 0.000 0.987 279 D CA 0.933 54.980 54.000 0.078 0.000 0.829 279 D CB 0.291 41.156 40.800 0.107 0.000 0.961 279 D HN 0.331 nan 8.370 nan 0.000 0.460 280 E N 0.594 120.799 120.200 0.010 0.000 2.072 280 E HA -0.071 4.280 4.350 0.001 0.000 0.191 280 E C 2.091 178.722 176.600 0.051 0.000 0.985 280 E CA 0.595 57.009 56.400 0.024 0.000 0.801 280 E CB -0.306 29.402 29.700 0.013 0.000 0.750 280 E HN 0.195 nan 8.360 nan 0.000 0.452 281 A N 1.999 124.859 122.820 0.066 0.000 1.933 281 A HA -0.201 4.119 4.320 0.001 0.000 0.218 281 A C 2.052 179.777 177.584 0.235 0.000 1.175 281 A CA 1.592 53.737 52.037 0.179 0.000 0.628 281 A CB -0.649 18.427 19.000 0.128 0.000 0.814 281 A HN 0.254 nan 8.150 nan 0.000 0.444 282 N N -0.164 118.620 118.700 0.140 0.000 2.188 282 N HA -0.137 4.604 4.740 0.001 0.000 0.184 282 N C 1.621 177.213 175.510 0.138 0.000 1.018 282 N CA 1.402 54.554 53.050 0.169 0.000 0.858 282 N CB -0.139 38.459 38.487 0.186 0.000 0.989 282 N HN 0.537 nan 8.380 nan 0.000 0.426 283 K N 0.454 120.906 120.400 0.087 0.000 2.057 283 K HA 0.016 4.337 4.320 0.001 0.000 0.206 283 K C 2.149 178.742 176.600 -0.011 0.000 1.050 283 K CA 1.116 57.428 56.287 0.042 0.000 0.935 283 K CB -0.118 32.397 32.500 0.026 0.000 0.715 283 K HN 0.160 nan 8.250 nan 0.000 0.439 284 A N 0.528 123.309 122.820 -0.066 0.000 1.972 284 A HA -0.103 4.218 4.320 0.001 0.000 0.219 284 A C 1.366 178.676 177.584 -0.457 0.000 1.169 284 A CA 1.281 53.142 52.037 -0.293 0.000 0.635 284 A CB -0.340 18.401 19.000 -0.431 0.000 0.810 284 A HN 0.241 nan 8.150 nan 0.000 0.446 285 F N -0.773 119.198 119.950 0.035 0.000 2.639 285 F HA 0.361 4.888 4.527 0.000 0.000 0.302 285 F C 0.516 176.332 175.800 0.027 0.000 1.097 285 F CA -0.671 57.349 58.000 0.033 0.000 1.294 285 F CB 0.049 39.074 39.000 0.041 0.000 1.027 285 F HN 0.024 nan 8.300 nan 0.000 0.550 286 L N 0.907 122.206 121.223 0.127 0.000 2.578 286 L HA 0.134 4.474 4.340 0.001 0.000 0.279 286 L C 1.408 178.320 176.870 0.071 0.000 1.227 286 L CA 1.275 56.170 54.840 0.092 0.000 0.900 286 L CB 0.288 42.379 42.059 0.054 0.000 1.144 286 L HN 0.621 nan 8.230 nan 0.000 0.496 287 G N 2.493 111.330 108.800 0.063 0.000 2.253 287 G HA2 -0.281 3.680 3.960 0.001 0.000 0.251 287 G HA3 -0.281 3.680 3.960 0.001 0.000 0.251 287 G C 0.375 175.307 174.900 0.053 0.000 0.998 287 G CA 0.073 45.199 45.100 0.043 0.000 0.621 287 G HN 0.660 nan 8.290 nan 0.000 0.524 288 C N 1.572 120.928 119.300 0.093 0.000 2.605 288 C HA 0.482 4.942 4.460 0.001 0.000 0.404 288 C C 1.149 176.183 174.990 0.073 0.000 1.284 288 C CA -0.325 58.754 59.018 0.102 0.000 2.199 288 C CB 0.812 28.669 27.740 0.194 0.000 2.647 288 C HN 0.454 nan 8.230 nan 0.000 0.604 289 K N 1.958 122.391 120.400 0.055 0.000 2.155 289 K HA 0.435 4.756 4.320 0.001 0.000 0.240 289 K C -0.382 176.242 176.600 0.040 0.000 1.193 289 K CA 0.154 56.465 56.287 0.040 0.000 1.104 289 K CB 0.129 32.649 32.500 0.034 0.000 1.558 289 K HN 0.469 nan 8.250 nan 0.000 0.313 290 V N 0.873 120.804 119.914 0.029 0.000 3.258 290 V HA 0.368 4.489 4.120 0.001 0.000 0.299 290 V C -1.648 174.439 176.094 -0.012 0.000 1.376 290 V CA -0.971 61.328 62.300 -0.001 0.000 1.063 290 V CB 2.493 34.278 31.823 -0.063 0.000 1.103 290 V HN 0.456 nan 8.190 nan 0.000 0.451 291 K N 2.303 122.688 120.400 -0.025 0.000 2.340 291 K HA 0.686 5.006 4.320 0.001 0.000 0.244 291 K C -1.802 174.753 176.600 -0.075 0.000 0.973 291 K CA -0.835 55.438 56.287 -0.024 0.000 0.828 291 K CB 2.098 34.604 32.500 0.010 0.000 1.226 291 K HN 0.337 nan 8.250 nan 0.000 0.437 292 L N 1.141 122.331 121.223 -0.056 0.000 2.334 292 L HA 0.645 4.986 4.340 0.001 0.000 0.275 292 L C -0.382 176.449 176.870 -0.065 0.000 1.036 292 L CA -0.134 54.658 54.840 -0.081 0.000 0.807 292 L CB 1.512 43.545 42.059 -0.042 0.000 1.231 292 L HN 0.869 nan 8.230 nan 0.000 0.438 293 A N 3.156 125.927 122.820 -0.082 0.000 2.587 293 A HA 0.896 5.217 4.320 0.001 0.000 0.293 293 A C -1.112 176.430 177.584 -0.069 0.000 1.087 293 A CA -0.472 51.529 52.037 -0.060 0.000 0.692 293 A CB 1.575 20.548 19.000 -0.045 0.000 1.291 293 A HN 0.702 nan 8.150 nan 0.000 0.407 294 I N -2.003 118.538 120.570 -0.049 0.000 3.042 294 I HA 0.731 4.902 4.170 0.001 0.000 0.310 294 I C -0.863 175.235 176.117 -0.031 0.000 1.117 294 I CA -0.992 60.277 61.300 -0.052 0.000 1.003 294 I CB 2.365 40.339 38.000 -0.044 0.000 1.228 294 I HN 0.475 nan 8.210 nan 0.000 0.443 295 K N 2.944 123.320 120.400 -0.040 0.000 2.244 295 K HA 0.683 5.003 4.320 0.001 0.000 0.260 295 K C -1.418 175.186 176.600 0.006 0.000 0.951 295 K CA -0.863 55.406 56.287 -0.029 0.000 0.826 295 K CB 2.671 35.130 32.500 -0.068 0.000 1.108 295 K HN 0.444 nan 8.250 nan 0.000 0.433 296 V N 1.832 121.765 119.914 0.031 0.000 2.409 296 V HA 0.155 4.275 4.120 0.001 0.000 0.291 296 V C 0.146 176.221 176.094 -0.031 0.000 1.020 296 V CA -0.700 61.651 62.300 0.085 0.000 0.848 296 V CB 1.643 33.542 31.823 0.126 0.000 0.990 296 V HN 0.820 nan 8.190 nan 0.000 0.430 297 S N 3.513 119.274 115.700 0.101 0.000 2.572 297 S HA 0.433 4.904 4.470 0.001 0.000 0.279 297 S C 0.598 175.114 174.600 -0.140 0.000 1.341 297 S CA 0.075 58.282 58.200 0.012 0.000 1.043 297 S CB 0.779 64.118 63.200 0.231 0.000 0.887 297 S HN 1.082 nan 8.310 nan 0.000 0.516 298 G N 4.106 112.701 108.800 -0.342 0.000 2.607 298 G HA2 0.522 4.482 3.960 0.001 0.000 0.332 298 G HA3 0.522 4.482 3.960 0.001 0.000 0.332 298 G C -0.433 174.478 174.900 0.018 0.000 1.046 298 G CA -0.538 44.395 45.100 -0.279 0.000 1.099 298 G HN 0.752 nan 8.290 nan 0.000 0.451 299 I N 3.223 123.773 120.570 -0.032 0.000 2.317 299 I HA 0.132 4.302 4.170 0.001 0.000 0.286 299 I C 1.216 177.131 176.117 -0.336 0.000 1.119 299 I CA -0.698 60.290 61.300 -0.520 0.000 1.228 299 I CB 0.502 38.150 38.000 -0.587 0.000 1.476 299 I HN 0.793 nan 8.210 nan 0.000 0.514 300 H N 2.225 121.303 119.070 0.014 0.000 2.529 300 H HA -0.018 4.538 4.556 0.001 0.000 0.277 300 H C 0.167 175.643 175.328 0.245 0.000 0.999 300 H CA -0.531 55.594 56.048 0.129 0.000 1.256 300 H CB -0.422 29.423 29.762 0.139 0.000 1.402 300 H HN 0.579 nan 8.280 nan 0.000 0.566 301 W N -0.420 120.761 121.300 -0.200 0.000 2.266 301 W HA 0.299 4.959 4.660 0.001 0.000 0.317 301 W C -0.507 175.941 176.519 -0.118 0.000 1.310 301 W CA -1.341 55.865 57.345 -0.232 0.000 1.207 301 W CB 0.233 29.430 29.460 -0.438 0.000 1.199 301 W HN 0.325 nan 8.180 nan 0.000 0.544 302 W N 0.925 122.298 121.300 0.122 0.000 2.046 302 W HA -0.370 4.290 4.660 0.000 0.000 0.263 302 W C 1.351 177.781 176.519 -0.148 0.000 1.048 302 W CA 0.577 57.895 57.345 -0.045 0.000 0.474 302 W CB -2.279 27.103 29.460 -0.129 0.000 2.069 302 W HN 0.710 nan 8.180 nan 0.000 1.264 303 Y N 1.431 121.715 120.300 -0.027 0.000 2.352 303 Y HA -0.048 4.502 4.550 0.001 0.000 0.292 303 Y C 2.012 177.751 175.900 -0.268 0.000 1.136 303 Y CA 2.082 60.105 58.100 -0.130 0.000 1.227 303 Y CB -0.006 38.501 38.460 0.077 0.000 0.991 303 Y HN -0.099 nan 8.280 nan 0.000 0.545 304 K N 0.700 121.107 120.400 0.011 0.000 2.458 304 K HA 0.133 4.454 4.320 0.001 0.000 0.194 304 K C -0.117 176.447 176.600 -0.059 0.000 1.024 304 K CA 0.421 56.703 56.287 -0.008 0.000 1.108 304 K CB 0.117 32.670 32.500 0.089 0.000 0.846 304 K HN 0.177 nan 8.250 nan 0.000 0.518 305 V N -2.599 117.245 119.914 -0.116 0.000 2.815 305 V HA 0.268 4.389 4.120 0.001 0.000 0.314 305 V C 1.167 177.183 176.094 -0.130 0.000 1.064 305 V CA -0.907 61.371 62.300 -0.036 0.000 0.952 305 V CB 2.036 33.916 31.823 0.096 0.000 1.020 305 V HN 0.003 nan 8.190 nan 0.000 0.439 306 E N 1.849 122.057 120.200 0.014 0.000 2.171 306 E HA -0.258 4.092 4.350 0.001 0.000 0.197 306 E C 1.638 178.369 176.600 0.219 0.000 0.997 306 E CA 2.155 58.634 56.400 0.132 0.000 0.810 306 E CB 0.032 29.836 29.700 0.174 0.000 0.738 306 E HN 1.035 nan 8.360 nan 0.000 0.467 307 N N -0.863 117.859 118.700 0.036 0.000 2.409 307 N HA -0.135 4.606 4.740 0.001 0.000 0.179 307 N C -0.010 175.510 175.510 0.016 0.000 1.032 307 N CA 0.547 53.503 53.050 -0.156 0.000 0.898 307 N CB -0.243 38.017 38.487 -0.377 0.000 0.971 307 N HN 0.129 nan 8.380 nan 0.000 0.441 308 H N -0.886 118.143 119.070 -0.069 0.000 2.594 308 H HA -0.207 4.350 4.556 0.001 0.000 0.316 308 H C 1.365 176.620 175.328 -0.123 0.000 1.107 308 H CA 0.372 56.407 56.048 -0.021 0.000 1.133 308 H CB -1.245 28.534 29.762 0.028 0.000 1.459 308 H HN 0.587 nan 8.280 nan 0.000 0.411 309 A N 0.776 123.397 122.820 -0.332 0.000 1.896 309 A HA -0.207 4.113 4.320 0.001 0.000 0.220 309 A C 2.566 179.855 177.584 -0.493 0.000 1.206 309 A CA 2.715 54.220 52.037 -0.887 0.000 0.647 309 A CB -0.866 17.282 19.000 -1.419 0.000 0.828 309 A HN 0.670 nan 8.150 nan 0.000 0.455 310 A N -0.740 121.929 122.820 -0.251 0.000 1.908 310 A HA -0.198 4.122 4.320 0.001 0.000 0.218 310 A C 1.936 179.406 177.584 -0.191 0.000 1.181 310 A CA 1.863 53.751 52.037 -0.248 0.000 0.627 310 A CB -0.581 18.055 19.000 -0.606 0.000 0.818 310 A HN 0.680 nan 8.150 nan 0.000 0.445 311 E N -0.108 120.061 120.200 -0.052 0.000 2.047 311 E HA -0.126 4.224 4.350 0.001 0.000 0.191 311 E C 1.993 178.703 176.600 0.182 0.000 0.987 311 E CA 1.141 57.630 56.400 0.148 0.000 0.799 311 E CB -0.279 29.609 29.700 0.313 0.000 0.752 311 E HN 0.616 nan 8.360 nan 0.000 0.449 312 L N 0.828 122.177 121.223 0.210 0.000 2.012 312 L HA -0.181 4.160 4.340 0.001 0.000 0.210 312 L C 2.829 179.962 176.870 0.438 0.000 1.073 312 L CA 1.781 56.845 54.840 0.372 0.000 0.748 312 L CB -1.347 41.038 42.059 0.544 0.000 0.891 312 L HN 0.355 nan 8.230 nan 0.000 0.431 313 T N -2.554 112.078 114.554 0.131 0.000 2.962 313 T HA -0.032 4.318 4.350 0.001 0.000 0.270 313 T C 1.739 176.580 174.700 0.234 0.000 1.088 313 T CA 0.852 62.920 62.100 -0.053 0.000 1.127 313 T CB -0.183 68.443 68.868 -0.404 0.000 0.883 313 T HN 0.325 nan 8.240 nan 0.000 0.493 314 A N 0.721 123.616 122.820 0.125 0.000 2.169 314 A HA 0.597 4.918 4.320 0.001 0.000 0.212 314 A C 2.056 179.553 177.584 -0.144 0.000 1.153 314 A CA 0.651 52.681 52.037 -0.012 0.000 0.756 314 A CB -0.811 18.105 19.000 -0.141 0.000 0.813 314 A HN 1.301 nan 8.150 nan 0.000 0.471 315 G N -2.603 106.231 108.800 0.056 0.000 2.184 315 G HA2 -0.203 3.757 3.960 0.001 0.000 0.206 315 G HA3 -0.203 3.757 3.960 0.001 0.000 0.206 315 G C -0.287 174.566 174.900 -0.078 0.000 0.995 315 G CA 0.042 45.096 45.100 -0.076 0.000 0.651 315 G HN 0.350 nan 8.290 nan 0.000 0.511 316 Y N 0.890 121.251 120.300 0.102 0.000 2.595 316 Y HA 0.426 4.976 4.550 0.001 0.000 0.336 316 Y C 0.589 176.518 175.900 0.049 0.000 0.996 316 Y CA -2.102 55.979 58.100 -0.032 0.000 1.260 316 Y CB 0.103 38.508 38.460 -0.092 0.000 1.108 316 Y HN 0.310 nan 8.280 nan 0.000 0.509 317 Y N 4.301 124.634 120.300 0.055 0.000 2.603 317 Y HA 0.078 4.629 4.550 0.001 0.000 0.341 317 Y C -0.140 175.719 175.900 -0.067 0.000 1.272 317 Y CA -0.403 57.728 58.100 0.052 0.000 1.891 317 Y CB -0.207 38.285 38.460 0.054 0.000 1.910 317 Y HN 0.583 nan 8.280 nan 0.000 0.432 318 N N 4.479 123.208 118.700 0.048 0.000 2.417 318 N HA 0.468 5.208 4.740 0.001 0.000 0.274 318 N C -1.620 173.666 175.510 -0.372 0.000 0.987 318 N CA -0.326 52.591 53.050 -0.222 0.000 0.912 318 N CB 1.006 39.314 38.487 -0.299 0.000 1.177 318 N HN 0.512 nan 8.380 nan 0.000 0.490 319 L N 1.782 122.768 121.223 -0.396 0.000 2.230 319 L HA 0.508 4.849 4.340 0.001 0.000 0.255 319 L C 0.968 177.648 176.870 -0.317 0.000 1.039 319 L CA -1.081 53.525 54.840 -0.390 0.000 0.846 319 L CB 1.168 43.203 42.059 -0.039 0.000 1.419 319 L HN 0.473 nan 8.230 nan 0.000 0.435 320 N N 0.694 119.344 118.700 -0.082 0.000 2.459 320 N HA -0.105 4.635 4.740 0.001 0.000 0.181 320 N C 0.319 175.810 175.510 -0.032 0.000 1.046 320 N CA 0.913 53.954 53.050 -0.014 0.000 0.904 320 N CB -0.057 38.471 38.487 0.069 0.000 0.964 320 N HN 0.611 nan 8.380 nan 0.000 0.444 321 D N -0.934 119.439 120.400 -0.044 0.000 2.501 321 D HA 0.066 4.706 4.640 0.001 0.000 0.224 321 D C 0.001 176.246 176.300 -0.091 0.000 1.202 321 D CA -0.186 53.785 54.000 -0.048 0.000 0.829 321 D CB 0.395 41.181 40.800 -0.024 0.000 1.023 321 D HN -0.001 nan 8.370 nan 0.000 0.499 322 R N 1.016 121.432 120.500 -0.141 0.000 2.605 322 R HA 0.099 4.439 4.340 0.001 0.000 0.291 322 R C -1.674 174.502 176.300 -0.206 0.000 1.226 322 R CA -0.467 55.510 56.100 -0.205 0.000 0.981 322 R CB 1.132 31.223 30.300 -0.349 0.000 1.215 322 R HN -0.165 nan 8.270 nan 0.000 0.428 323 D N 2.937 123.251 120.400 -0.143 0.000 2.338 323 D HA 0.088 4.728 4.640 0.001 0.000 0.255 323 D C 0.723 176.926 176.300 -0.162 0.000 1.237 323 D CA 0.453 54.390 54.000 -0.104 0.000 0.883 323 D CB 1.377 42.153 40.800 -0.040 0.000 1.087 323 D HN 0.818 nan 8.370 nan 0.000 0.485 324 G N 2.780 111.419 108.800 -0.268 0.000 3.042 324 G HA2 -0.131 3.829 3.960 0.001 0.000 0.212 324 G HA3 -0.131 3.829 3.960 0.001 0.000 0.212 324 G C 0.674 175.295 174.900 -0.465 0.000 1.166 324 G CA 0.202 45.088 45.100 -0.357 0.000 0.767 324 G HN 0.463 nan 8.290 nan 0.000 0.546 325 Y N -0.601 119.664 120.300 -0.059 0.000 2.500 325 Y HA 0.280 4.831 4.550 0.001 0.000 0.284 325 Y C 2.625 178.478 175.900 -0.079 0.000 1.118 325 Y CA -0.014 58.026 58.100 -0.101 0.000 1.241 325 Y CB -0.059 38.304 38.460 -0.161 0.000 1.171 325 Y HN 0.054 nan 8.280 nan 0.000 0.540 326 R N 0.578 121.119 120.500 0.068 0.000 2.127 326 R HA -0.119 4.221 4.340 0.001 0.000 0.238 326 R C -1.040 175.267 176.300 0.012 0.000 1.134 326 R CA 1.498 57.616 56.100 0.030 0.000 0.975 326 R CB -1.077 29.233 30.300 0.018 0.000 0.865 326 R HN 0.204 nan 8.270 nan 0.000 0.447 327 P HA -0.129 nan 4.420 nan 0.000 0.218 327 P C 0.802 178.108 177.300 0.009 0.000 1.149 327 P CA 1.261 64.359 63.100 -0.003 0.000 0.817 327 P CB 0.048 31.739 31.700 -0.015 0.000 0.785 328 I N -0.928 119.654 120.570 0.020 0.000 2.286 328 I HA -0.201 3.969 4.170 0.001 0.000 0.245 328 I C 2.297 178.429 176.117 0.024 0.000 1.104 328 I CA 1.279 62.599 61.300 0.033 0.000 1.397 328 I CB -0.800 37.233 38.000 0.056 0.000 1.072 328 I HN -0.092 nan 8.210 nan 0.000 0.417 329 A N 0.902 123.732 122.820 0.016 0.000 1.902 329 A HA -0.242 4.079 4.320 0.001 0.000 0.217 329 A C 2.442 180.027 177.584 0.002 0.000 1.181 329 A CA 1.780 53.818 52.037 0.002 0.000 0.623 329 A CB -0.636 18.360 19.000 -0.007 0.000 0.818 329 A HN 0.357 nan 8.150 nan 0.000 0.443 330 R N -1.101 119.401 120.500 0.003 0.000 2.092 330 R HA -0.093 4.247 4.340 0.001 0.000 0.231 330 R C 2.204 178.495 176.300 -0.016 0.000 1.119 330 R CA 1.569 57.665 56.100 -0.006 0.000 0.970 330 R CB -0.282 30.016 30.300 -0.004 0.000 0.864 330 R HN 0.502 nan 8.270 nan 0.000 0.440 331 M N 0.745 120.345 119.600 0.001 0.000 2.159 331 M HA -0.144 4.336 4.480 0.001 0.000 0.263 331 M C 1.734 178.059 176.300 0.041 0.000 1.063 331 M CA 1.638 56.946 55.300 0.014 0.000 1.110 331 M CB -0.286 32.337 32.600 0.039 0.000 1.374 331 M HN 0.302 nan 8.290 nan 0.000 0.411 332 L N 0.262 121.509 121.223 0.041 0.000 2.201 332 L HA -0.167 4.174 4.340 0.001 0.000 0.212 332 L C 2.610 179.474 176.870 -0.010 0.000 1.105 332 L CA 1.300 56.174 54.840 0.057 0.000 0.775 332 L CB -0.746 41.327 42.059 0.022 0.000 0.913 332 L HN 0.439 nan 8.230 nan 0.000 0.440 333 S N 0.959 116.624 115.700 -0.058 0.000 2.383 333 S HA -0.253 4.217 4.470 0.001 0.000 0.229 333 S C 2.002 176.438 174.600 -0.273 0.000 1.030 333 S CA 1.246 59.379 58.200 -0.112 0.000 1.002 333 S CB -0.532 62.628 63.200 -0.067 0.000 0.829 333 S HN 0.580 nan 8.310 nan 0.000 0.467 334 R N 0.525 120.836 120.500 -0.315 0.000 2.189 334 R HA 0.029 4.369 4.340 0.001 0.000 0.223 334 R C 1.482 177.349 176.300 -0.721 0.000 1.092 334 R CA 1.470 57.277 56.100 -0.489 0.000 0.989 334 R CB -0.716 29.315 30.300 -0.448 0.000 0.876 334 R HN 0.510 nan 8.270 nan 0.000 0.457 335 H N 0.229 119.095 119.070 -0.341 0.000 2.586 335 H HA 0.097 4.654 4.556 0.001 0.000 0.273 335 H C -0.284 174.936 175.328 -0.180 0.000 0.997 335 H CA 0.395 56.306 56.048 -0.228 0.000 1.177 335 H CB 0.055 29.768 29.762 -0.082 0.000 1.471 335 H HN 0.478 nan 8.280 nan 0.000 0.538 336 H N -0.870 118.226 119.070 0.043 0.000 2.741 336 H HA -0.113 4.444 4.556 0.001 0.000 0.305 336 H C 0.436 175.750 175.328 -0.022 0.000 1.169 336 H CA 0.357 56.401 56.048 -0.006 0.000 1.144 336 H CB -1.704 28.049 29.762 -0.015 0.000 1.397 336 H HN 0.482 nan 8.280 nan 0.000 0.409 337 A N 0.296 123.146 122.820 0.050 0.000 2.279 337 A HA 0.679 4.999 4.320 0.001 0.000 0.303 337 A C 0.504 178.062 177.584 -0.043 0.000 1.108 337 A CA -0.624 51.418 52.037 0.008 0.000 0.830 337 A CB 0.880 19.890 19.000 0.016 0.000 1.106 337 A HN 0.327 nan 8.150 nan 0.000 0.493 338 I N 0.762 121.295 120.570 -0.061 0.000 2.396 338 I HA 0.250 4.421 4.170 0.001 0.000 0.292 338 I C -0.213 175.889 176.117 -0.024 0.000 0.999 338 I CA -0.157 61.104 61.300 -0.066 0.000 1.310 338 I CB 1.333 39.308 38.000 -0.043 0.000 1.404 338 I HN 0.532 nan 8.210 nan 0.000 0.496 339 L N 6.673 127.885 121.223 -0.018 0.000 2.262 339 L HA 0.368 4.708 4.340 0.001 0.000 0.288 339 L C -0.397 176.495 176.870 0.036 0.000 1.035 339 L CA -0.386 54.453 54.840 -0.002 0.000 0.820 339 L CB 0.448 42.488 42.059 -0.032 0.000 1.204 339 L HN 0.573 nan 8.230 nan 0.000 0.424 340 N N 5.137 123.867 118.700 0.051 0.000 2.462 340 N HA 0.130 4.871 4.740 0.001 0.000 0.242 340 N C -1.178 174.395 175.510 0.105 0.000 1.010 340 N CA -0.227 52.870 53.050 0.077 0.000 0.939 340 N CB 0.471 38.981 38.487 0.039 0.000 1.127 340 N HN 0.376 nan 8.380 nan 0.000 0.509 341 F N 3.101 123.029 119.950 -0.038 0.000 2.421 341 F HA 0.202 4.730 4.527 0.001 0.000 0.358 341 F C 1.551 177.338 175.800 -0.021 0.000 1.115 341 F CA -0.590 57.372 58.000 -0.063 0.000 1.160 341 F CB 0.734 39.667 39.000 -0.111 0.000 1.123 341 F HN 0.479 nan 8.300 nan 0.000 0.508 342 T N 1.111 115.387 114.554 -0.464 0.000 3.272 342 T HA 0.094 4.445 4.350 0.001 0.000 0.250 342 T C 0.245 174.743 174.700 -0.336 0.000 1.082 342 T CA -0.185 61.730 62.100 -0.308 0.000 0.968 342 T CB -1.010 67.736 68.868 -0.203 0.000 1.015 342 T HN 0.535 nan 8.240 nan 0.000 0.563 343 C N 1.253 120.259 119.300 -0.490 0.000 2.949 343 C HA 0.655 5.116 4.460 0.001 0.000 0.306 343 C C 0.390 175.366 174.990 -0.023 0.000 1.045 343 C CA -0.824 58.050 59.018 -0.241 0.000 1.414 343 C CB -0.542 27.056 27.740 -0.236 0.000 1.854 343 C HN 0.626 nan 8.230 nan 0.000 0.487 344 L N 3.515 124.757 121.223 0.031 0.000 2.781 344 L HA 0.373 4.714 4.340 0.001 0.000 0.245 344 L C 2.286 179.196 176.870 0.067 0.000 1.118 344 L CA 1.019 55.931 54.840 0.120 0.000 0.918 344 L CB 0.012 42.171 42.059 0.166 0.000 1.246 344 L HN 0.776 nan 8.230 nan 0.000 0.526 345 E N -0.369 119.827 120.200 -0.006 0.000 2.474 345 E HA 0.015 4.365 4.350 0.001 0.000 0.194 345 E C 0.407 176.960 176.600 -0.079 0.000 1.041 345 E CA 0.111 56.484 56.400 -0.046 0.000 0.874 345 E CB -0.088 29.547 29.700 -0.109 0.000 0.914 345 E HN 0.376 nan 8.360 nan 0.000 0.498 346 M N 1.498 121.037 119.600 -0.102 0.000 2.235 346 M HA 0.326 4.806 4.480 0.001 0.000 0.351 346 M C 0.354 176.582 176.300 -0.120 0.000 1.178 346 M CA 0.021 55.232 55.300 -0.148 0.000 1.143 346 M CB 1.102 33.548 32.600 -0.257 0.000 1.530 346 M HN -0.234 nan 8.290 nan 0.000 0.461 347 R N 0.909 121.341 120.500 -0.112 0.000 2.664 347 R HA 0.222 4.562 4.340 0.001 0.000 0.286 347 R C -0.058 176.188 176.300 -0.089 0.000 0.967 347 R CA -0.890 55.162 56.100 -0.080 0.000 0.933 347 R CB 1.361 31.631 30.300 -0.050 0.000 1.146 347 R HN 0.631 nan 8.270 nan 0.000 0.468 348 D N 0.424 120.784 120.400 -0.067 0.000 2.133 348 D HA -0.180 4.460 4.640 0.001 0.000 0.195 348 D C 1.637 177.918 176.300 -0.032 0.000 0.997 348 D CA 2.017 55.989 54.000 -0.046 0.000 0.840 348 D CB -0.059 40.727 40.800 -0.023 0.000 0.947 348 D HN 0.533 nan 8.370 nan 0.000 0.452 349 S N -0.003 115.680 115.700 -0.029 0.000 2.507 349 S HA -0.100 4.371 4.470 0.001 0.000 0.235 349 S C 1.394 175.976 174.600 -0.030 0.000 0.988 349 S CA 0.523 58.710 58.200 -0.022 0.000 0.944 349 S CB -0.308 62.883 63.200 -0.016 0.000 0.762 349 S HN 0.339 nan 8.310 nan 0.000 0.526 350 E N 0.712 120.884 120.200 -0.048 0.000 2.489 350 E HA 0.108 4.458 4.350 0.001 0.000 0.193 350 E C -0.064 176.504 176.600 -0.053 0.000 1.057 350 E CA 0.097 56.462 56.400 -0.059 0.000 0.866 350 E CB 0.147 29.795 29.700 -0.087 0.000 0.916 350 E HN 0.526 nan 8.360 nan 0.000 0.500 351 Q N 1.519 121.303 119.800 -0.027 0.000 2.274 351 Q HA 0.297 4.637 4.340 0.001 0.000 0.260 351 Q C -2.248 173.771 176.000 0.032 0.000 0.974 351 Q CA -2.516 53.303 55.803 0.027 0.000 0.876 351 Q CB 0.819 29.607 28.738 0.084 0.000 1.297 351 Q HN 0.017 nan 8.270 nan 0.000 0.446 352 P HA 0.044 nan 4.420 nan 0.000 0.266 352 P C 0.145 177.433 177.300 -0.021 0.000 1.195 352 P CA 0.158 63.264 63.100 0.010 0.000 0.768 352 P CB 0.796 32.504 31.700 0.012 0.000 0.838 353 S N 1.010 116.694 115.700 -0.027 0.000 2.442 353 S HA -0.125 4.345 4.470 0.001 0.000 0.236 353 S C 1.263 175.822 174.600 -0.068 0.000 1.007 353 S CA 1.367 59.546 58.200 -0.034 0.000 0.965 353 S CB -0.508 62.683 63.200 -0.015 0.000 0.773 353 S HN 0.700 nan 8.310 nan 0.000 0.504 354 D N 1.093 121.441 120.400 -0.087 0.000 2.349 354 D HA 0.129 4.769 4.640 0.001 0.000 0.224 354 D C 1.175 177.289 176.300 -0.310 0.000 1.029 354 D CA 0.454 54.390 54.000 -0.107 0.000 0.879 354 D CB -0.025 40.745 40.800 -0.050 0.000 0.906 354 D HN 0.383 nan 8.370 nan 0.000 0.528 355 A N 0.700 123.280 122.820 -0.401 0.000 2.267 355 A HA 0.047 4.367 4.320 0.001 0.000 0.213 355 A C 0.798 177.902 177.584 -0.799 0.000 1.192 355 A CA -0.233 51.346 52.037 -0.763 0.000 0.851 355 A CB -0.091 18.600 19.000 -0.515 0.000 0.881 355 A HN -0.001 nan 8.150 nan 0.000 0.494 356 K N 0.893 121.054 120.400 -0.398 0.000 3.278 356 K HA -0.121 4.199 4.320 0.001 0.000 0.270 356 K C -0.490 176.073 176.600 -0.061 0.000 0.955 356 K CA 0.874 57.053 56.287 -0.180 0.000 0.723 356 K CB -2.552 29.881 32.500 -0.111 0.000 1.382 356 K HN 0.473 nan 8.250 nan 0.000 0.461 357 S N -0.305 115.411 115.700 0.026 0.000 2.537 357 S HA 0.505 4.975 4.470 0.001 0.000 0.275 357 S C 1.073 175.764 174.600 0.152 0.000 1.272 357 S CA -0.028 58.295 58.200 0.204 0.000 1.050 357 S CB 1.729 65.149 63.200 0.367 0.000 0.961 357 S HN 0.477 nan 8.310 nan 0.000 0.496 358 G N 3.163 112.060 108.800 0.162 0.000 4.951 358 G HA2 0.308 4.268 3.960 0.001 0.000 0.282 358 G HA3 0.308 4.268 3.960 0.001 0.000 0.282 358 G C -1.679 173.108 174.900 -0.190 0.000 1.301 358 G CA -1.015 44.094 45.100 0.016 0.000 0.975 358 G HN 0.477 nan 8.290 nan 0.000 0.589 359 P HA -0.216 nan 4.420 nan 0.000 0.216 359 P C 1.431 178.617 177.300 -0.190 0.000 1.150 359 P CA 1.136 64.141 63.100 -0.158 0.000 0.837 359 P CB 0.502 32.023 31.700 -0.297 0.000 0.786 360 Q N -0.163 119.529 119.800 -0.180 0.000 2.079 360 Q HA -0.169 4.172 4.340 0.001 0.000 0.200 360 Q C 2.195 178.012 176.000 -0.306 0.000 0.974 360 Q CA 1.484 57.169 55.803 -0.197 0.000 0.840 360 Q CB -0.311 28.344 28.738 -0.137 0.000 0.898 360 Q HN 0.288 nan 8.270 nan 0.000 0.430 361 E N 0.557 120.585 120.200 -0.287 0.000 2.107 361 E HA -0.154 4.196 4.350 0.001 0.000 0.191 361 E C 1.675 178.015 176.600 -0.434 0.000 0.982 361 E CA 0.463 56.695 56.400 -0.281 0.000 0.809 361 E CB -0.152 29.522 29.700 -0.044 0.000 0.756 361 E HN 0.140 nan 8.360 nan 0.000 0.459 362 L N 0.214 121.008 121.223 -0.714 0.000 2.017 362 L HA -0.138 4.202 4.340 0.001 0.000 0.208 362 L C 2.030 178.559 176.870 -0.567 0.000 1.073 362 L CA 1.456 55.855 54.840 -0.735 0.000 0.745 362 L CB -0.574 41.098 42.059 -0.644 0.000 0.894 362 L HN 0.018 nan 8.230 nan 0.000 0.432 363 V N -0.212 119.429 119.914 -0.455 0.000 2.287 363 V HA -0.369 3.752 4.120 0.001 0.000 0.248 363 V C 2.638 178.417 176.094 -0.525 0.000 1.053 363 V CA 2.217 64.233 62.300 -0.473 0.000 1.027 363 V CB -0.682 31.037 31.823 -0.174 0.000 0.646 363 V HN 0.585 nan 8.190 nan 0.000 0.447 364 Q N -0.812 118.599 119.800 -0.649 0.000 2.124 364 Q HA -0.285 4.056 4.340 0.001 0.000 0.202 364 Q C 2.375 178.130 176.000 -0.408 0.000 0.977 364 Q CA 1.912 57.178 55.803 -0.896 0.000 0.850 364 Q CB -0.187 27.908 28.738 -1.072 0.000 0.901 364 Q HN 0.680 nan 8.270 nan 0.000 0.429 365 Q N 0.152 119.755 119.800 -0.329 0.000 2.016 365 Q HA -0.152 4.188 4.340 0.001 0.000 0.200 365 Q C 2.150 178.005 176.000 -0.242 0.000 0.978 365 Q CA 1.464 57.160 55.803 -0.179 0.000 0.833 365 Q CB 0.137 28.841 28.738 -0.056 0.000 0.895 365 Q HN 0.246 nan 8.270 nan 0.000 0.427 366 V N 1.523 121.139 119.914 -0.496 0.000 2.261 366 V HA -0.300 3.820 4.120 0.001 0.000 0.246 366 V C 2.454 178.268 176.094 -0.466 0.000 1.047 366 V CA 1.644 63.574 62.300 -0.616 0.000 1.015 366 V CB -0.655 30.425 31.823 -1.238 0.000 0.642 366 V HN 0.403 nan 8.190 nan 0.000 0.446 367 L N -0.230 120.702 121.223 -0.484 0.000 2.046 367 L HA -0.160 4.181 4.340 0.001 0.000 0.208 367 L C 2.638 179.245 176.870 -0.438 0.000 1.077 367 L CA 1.842 56.328 54.840 -0.590 0.000 0.747 367 L CB -0.988 40.776 42.059 -0.491 0.000 0.896 367 L HN 0.324 nan 8.230 nan 0.000 0.432 368 S N 0.429 116.179 115.700 0.084 0.000 2.370 368 S HA -0.140 4.331 4.470 0.001 0.000 0.226 368 S C 2.062 176.833 174.600 0.285 0.000 1.033 368 S CA 1.297 59.800 58.200 0.505 0.000 1.011 368 S CB -0.641 62.809 63.200 0.417 0.000 0.852 368 S HN 0.620 nan 8.310 nan 0.000 0.457 369 G N 1.252 110.086 108.800 0.056 0.000 2.440 369 G HA2 -0.092 3.868 3.960 0.001 0.000 0.218 369 G HA3 -0.092 3.868 3.960 0.001 0.000 0.218 369 G C 1.436 176.355 174.900 0.031 0.000 1.154 369 G CA 1.018 46.139 45.100 0.035 0.000 0.767 369 G HN 0.565 nan 8.290 nan 0.000 0.552 370 G N 0.013 108.759 108.800 -0.091 0.000 2.433 370 G HA2 -0.197 3.764 3.960 0.001 0.000 0.216 370 G HA3 -0.197 3.764 3.960 0.001 0.000 0.216 370 G C 1.595 176.517 174.900 0.036 0.000 1.186 370 G CA 0.914 45.944 45.100 -0.118 0.000 0.779 370 G HN 0.394 nan 8.290 nan 0.000 0.543 371 W N 0.800 122.175 121.300 0.125 0.000 2.392 371 W HA 0.050 4.710 4.660 0.001 0.000 0.279 371 W C 2.630 179.261 176.519 0.185 0.000 1.225 371 W CA 0.743 58.154 57.345 0.111 0.000 1.233 371 W CB -0.582 28.895 29.460 0.029 0.000 1.122 371 W HN 0.226 nan 8.180 nan 0.000 0.561 372 R N 1.086 121.862 120.500 0.460 0.000 2.081 372 R HA -0.131 4.209 4.340 0.001 0.000 0.235 372 R C 1.718 178.133 176.300 0.191 0.000 1.131 372 R CA 1.565 57.860 56.100 0.325 0.000 0.960 372 R CB -0.403 30.021 30.300 0.207 0.000 0.856 372 R HN -0.173 nan 8.270 nan 0.000 0.436 373 E N 0.495 120.780 120.200 0.143 0.000 2.502 373 E HA -0.056 4.294 4.350 0.001 0.000 0.194 373 E C -0.285 176.368 176.600 0.087 0.000 1.062 373 E CA 0.511 56.962 56.400 0.086 0.000 0.867 373 E CB -0.092 29.636 29.700 0.048 0.000 0.888 373 E HN 0.328 nan 8.360 nan 0.000 0.510 374 D N 0.332 120.813 120.400 0.135 0.000 2.716 374 D HA -0.181 4.460 4.640 0.001 0.000 0.239 374 D C -0.399 175.953 176.300 0.087 0.000 1.125 374 D CA 0.520 54.595 54.000 0.125 0.000 0.681 374 D CB -1.485 39.368 40.800 0.089 0.000 1.070 374 D HN 0.425 nan 8.370 nan 0.000 0.432 375 I N -3.493 117.127 120.570 0.083 0.000 3.023 375 I HA 0.630 4.800 4.170 0.001 0.000 0.312 375 I C 0.206 176.340 176.117 0.028 0.000 1.056 375 I CA -1.378 59.936 61.300 0.023 0.000 1.033 375 I CB 1.607 39.601 38.000 -0.010 0.000 1.233 375 I HN -0.210 nan 8.210 nan 0.000 0.462 376 R N 1.951 122.411 120.500 -0.067 0.000 2.390 376 R HA 0.621 4.962 4.340 0.001 0.000 0.291 376 R C -1.125 175.155 176.300 -0.033 0.000 1.070 376 R CA -0.615 55.430 56.100 -0.091 0.000 1.014 376 R CB 1.661 31.660 30.300 -0.503 0.000 1.007 376 R HN 0.472 nan 8.270 nan 0.000 0.466 377 V N 2.329 122.282 119.914 0.065 0.000 2.495 377 V HA 0.696 4.816 4.120 0.001 0.000 0.298 377 V C -0.118 176.077 176.094 0.169 0.000 1.031 377 V CA -0.588 61.709 62.300 -0.004 0.000 0.871 377 V CB 1.564 33.193 31.823 -0.324 0.000 0.988 377 V HN 0.972 nan 8.190 nan 0.000 0.432 378 A N 3.126 126.042 122.820 0.161 0.000 2.483 378 A HA 1.083 5.404 4.320 0.001 0.000 0.286 378 A C -0.054 177.645 177.584 0.191 0.000 1.207 378 A CA -0.192 51.984 52.037 0.232 0.000 0.764 378 A CB 2.113 21.270 19.000 0.263 0.000 1.341 378 A HN 1.383 nan 8.150 nan 0.000 0.428 379 G N -1.112 107.812 108.800 0.206 0.000 2.608 379 G HA2 0.612 4.572 3.960 0.001 0.000 0.291 379 G HA3 0.612 4.572 3.960 0.001 0.000 0.291 379 G C -1.722 173.277 174.900 0.164 0.000 1.425 379 G CA -0.553 44.658 45.100 0.184 0.000 0.787 379 G HN 0.762 nan 8.290 nan 0.000 0.484 380 E N -0.305 119.957 120.200 0.103 0.000 2.429 380 E HA 0.319 4.669 4.350 0.001 0.000 0.276 380 E C -0.884 175.730 176.600 0.024 0.000 0.953 380 E CA -1.148 55.300 56.400 0.081 0.000 0.787 380 E CB 2.083 31.799 29.700 0.028 0.000 1.307 380 E HN 0.617 nan 8.360 nan 0.000 0.458 381 N N 0.318 119.011 118.700 -0.012 0.000 2.518 381 N HA 0.246 4.986 4.740 0.001 0.000 0.283 381 N C 0.084 175.520 175.510 -0.124 0.000 1.119 381 N CA -0.119 52.883 53.050 -0.079 0.000 0.983 381 N CB 1.841 40.243 38.487 -0.140 0.000 1.139 381 N HN 0.528 nan 8.380 nan 0.000 0.465 382 A N 2.393 125.141 122.820 -0.121 0.000 1.874 382 A HA 0.154 4.474 4.320 0.001 0.000 0.214 382 A C 1.041 178.551 177.584 -0.123 0.000 1.189 382 A CA 0.605 52.579 52.037 -0.105 0.000 0.615 382 A CB -0.151 18.807 19.000 -0.069 0.000 0.830 382 A HN 0.660 nan 8.150 nan 0.000 0.443 383 L N -0.974 120.152 121.223 -0.161 0.000 2.319 383 L HA 0.410 4.750 4.340 0.001 0.000 0.267 383 L C -2.684 174.029 176.870 -0.261 0.000 1.011 383 L CA -2.540 52.193 54.840 -0.178 0.000 0.818 383 L CB 1.567 43.529 42.059 -0.162 0.000 1.316 383 L HN -0.108 nan 8.230 nan 0.000 0.432 384 P HA 0.129 nan 4.420 nan 0.000 0.262 384 P C -1.117 175.889 177.300 -0.490 0.000 1.199 384 P CA 0.093 62.956 63.100 -0.395 0.000 0.763 384 P CB 0.396 31.967 31.700 -0.216 0.000 0.790 385 R N 3.047 123.138 120.500 -0.681 0.000 2.673 385 R HA 0.353 4.694 4.340 0.001 0.000 0.281 385 R C -0.501 175.352 176.300 -0.744 0.000 0.991 385 R CA -0.544 55.205 56.100 -0.586 0.000 0.896 385 R CB 1.485 31.527 30.300 -0.430 0.000 1.201 385 R HN 0.469 nan 8.270 nan 0.000 0.457 386 Y N -0.845 119.381 120.300 -0.124 0.000 2.610 386 Y HA 0.096 4.646 4.550 0.000 0.000 0.254 386 Y C 0.412 176.288 175.900 -0.040 0.000 1.110 386 Y CA -0.736 57.356 58.100 -0.013 0.000 1.238 386 Y CB 0.791 39.309 38.460 0.097 0.000 1.322 386 Y HN 0.455 nan 8.280 nan 0.000 0.547 387 D N 0.316 120.669 120.400 -0.078 0.000 2.283 387 D HA 0.295 4.935 4.640 0.001 0.000 0.248 387 D C 1.192 177.461 176.300 -0.052 0.000 1.072 387 D CA 0.232 54.222 54.000 -0.018 0.000 0.929 387 D CB 2.159 42.941 40.800 -0.031 0.000 1.182 387 D HN 0.093 nan 8.370 nan 0.000 0.433 388 A N 1.756 124.636 122.820 0.100 0.000 1.972 388 A HA -0.197 4.123 4.320 0.001 0.000 0.219 388 A C 2.171 179.794 177.584 0.065 0.000 1.169 388 A CA 2.457 54.588 52.037 0.158 0.000 0.635 388 A CB -1.228 17.842 19.000 0.118 0.000 0.810 388 A HN 0.801 nan 8.150 nan 0.000 0.446 389 T N -1.744 112.811 114.554 0.000 0.000 2.746 389 T HA -0.024 4.326 4.350 0.001 0.000 0.267 389 T C 1.956 176.623 174.700 -0.055 0.000 1.039 389 T CA 1.778 63.868 62.100 -0.016 0.000 1.142 389 T CB -0.681 68.170 68.868 -0.027 0.000 0.866 389 T HN 0.579 nan 8.240 nan 0.000 0.444 390 A N 0.879 123.606 122.820 -0.155 0.000 1.858 390 A HA 0.034 4.354 4.320 0.001 0.000 0.216 390 A C 2.220 179.684 177.584 -0.199 0.000 1.190 390 A CA 1.408 53.306 52.037 -0.232 0.000 0.617 390 A CB -1.260 17.500 19.000 -0.401 0.000 0.827 390 A HN 0.540 nan 8.150 nan 0.000 0.443 391 Y N 0.963 121.167 120.300 -0.160 0.000 2.165 391 Y HA -0.205 4.345 4.550 0.000 0.000 0.286 391 Y C 2.463 178.350 175.900 -0.022 0.000 1.155 391 Y CA 1.366 59.313 58.100 -0.254 0.000 1.164 391 Y CB -0.669 37.624 38.460 -0.279 0.000 0.978 391 Y HN 0.323 nan 8.280 nan 0.000 0.513 392 N N -0.090 118.705 118.700 0.158 0.000 2.223 392 N HA -0.178 4.563 4.740 0.001 0.000 0.185 392 N C 1.869 177.446 175.510 0.113 0.000 1.016 392 N CA 1.268 54.394 53.050 0.125 0.000 0.863 392 N CB -0.376 38.161 38.487 0.084 0.000 0.983 392 N HN 0.379 nan 8.380 nan 0.000 0.429 393 Q N 0.990 120.840 119.800 0.084 0.000 2.119 393 Q HA 0.110 4.451 4.340 0.001 0.000 0.201 393 Q C 1.968 178.051 176.000 0.138 0.000 0.972 393 Q CA 0.968 56.826 55.803 0.092 0.000 0.847 393 Q CB -0.224 28.538 28.738 0.040 0.000 0.903 393 Q HN 0.376 nan 8.270 nan 0.000 0.433 394 I N -0.265 120.392 120.570 0.144 0.000 2.226 394 I HA -0.250 3.920 4.170 0.001 0.000 0.245 394 I C 1.977 178.245 176.117 0.251 0.000 1.100 394 I CA 1.019 62.447 61.300 0.214 0.000 1.374 394 I CB -0.233 37.920 38.000 0.257 0.000 1.057 394 I HN 0.222 nan 8.210 nan 0.000 0.413 395 I N 0.123 120.845 120.570 0.254 0.000 2.361 395 I HA -0.278 3.892 4.170 0.001 0.000 0.251 395 I C 2.463 178.642 176.117 0.103 0.000 1.133 395 I CA 0.958 62.359 61.300 0.168 0.000 1.413 395 I CB -0.220 37.862 38.000 0.138 0.000 1.073 395 I HN 0.255 nan 8.210 nan 0.000 0.424 396 L N 1.120 122.417 121.223 0.122 0.000 2.027 396 L HA -0.170 4.170 4.340 0.001 0.000 0.206 396 L C 2.075 179.011 176.870 0.110 0.000 1.074 396 L CA 1.946 56.846 54.840 0.101 0.000 0.745 396 L CB -0.831 41.323 42.059 0.158 0.000 0.898 396 L HN 0.200 nan 8.230 nan 0.000 0.433 397 N N 0.046 118.889 118.700 0.239 0.000 2.331 397 N HA -0.051 4.689 4.740 0.001 0.000 0.180 397 N C 1.772 177.425 175.510 0.239 0.000 1.019 397 N CA 1.193 54.450 53.050 0.345 0.000 0.881 397 N CB -0.273 38.448 38.487 0.390 0.000 0.972 397 N HN 0.529 nan 8.380 nan 0.000 0.435 398 A N 0.669 123.592 122.820 0.172 0.000 1.969 398 A HA 0.026 4.346 4.320 0.001 0.000 0.218 398 A C 1.071 178.696 177.584 0.069 0.000 1.169 398 A CA 0.971 53.099 52.037 0.151 0.000 0.635 398 A CB 0.120 19.182 19.000 0.103 0.000 0.810 398 A HN 0.141 nan 8.150 nan 0.000 0.445 399 R N -1.231 119.249 120.500 -0.033 0.000 2.718 399 R HA 0.213 4.553 4.340 0.001 0.000 0.266 399 R C -2.481 173.665 176.300 -0.255 0.000 1.776 399 R CA -1.450 54.561 56.100 -0.149 0.000 1.567 399 R CB 1.025 31.251 30.300 -0.122 0.000 1.336 399 R HN 0.136 nan 8.270 nan 0.000 0.619 400 P HA -0.202 nan 4.420 nan 0.000 0.217 400 P C 0.468 177.465 177.300 -0.506 0.000 1.148 400 P CA 1.442 64.041 63.100 -0.835 0.000 0.834 400 P CB 0.322 31.094 31.700 -1.547 0.000 0.783 401 Q N -1.323 118.254 119.800 -0.372 0.000 2.175 401 Q HA 0.367 4.707 4.340 0.001 0.000 0.225 401 Q C 0.707 176.610 176.000 -0.161 0.000 0.837 401 Q CA -0.050 55.618 55.803 -0.225 0.000 1.032 401 Q CB 0.413 29.023 28.738 -0.213 0.000 1.137 401 Q HN 0.132 nan 8.270 nan 0.000 0.483 402 G N 0.593 109.299 108.800 -0.157 0.000 2.741 402 G HA2 -0.256 3.704 3.960 0.001 0.000 0.222 402 G HA3 -0.256 3.704 3.960 0.001 0.000 0.222 402 G C -0.140 174.692 174.900 -0.113 0.000 1.364 402 G CA -0.424 44.609 45.100 -0.111 0.000 0.866 402 G HN 0.498 nan 8.290 nan 0.000 0.555 403 V N -1.790 118.071 119.914 -0.088 0.000 2.904 403 V HA 0.788 4.909 4.120 0.001 0.000 0.305 403 V C 0.379 176.428 176.094 -0.075 0.000 1.067 403 V CA -0.261 61.990 62.300 -0.083 0.000 1.044 403 V CB 1.857 33.638 31.823 -0.070 0.000 1.050 403 V HN 1.402 nan 8.190 nan 0.000 0.475 404 N N 1.741 120.399 118.700 -0.071 0.000 2.443 404 N HA 0.403 5.144 4.740 0.001 0.000 0.269 404 N C 0.077 175.558 175.510 -0.048 0.000 0.985 404 N CA -0.521 52.492 53.050 -0.062 0.000 0.921 404 N CB 1.264 39.710 38.487 -0.069 0.000 1.195 404 N HN 0.738 nan 8.380 nan 0.000 0.492 405 N N 1.824 120.500 118.700 -0.042 0.000 2.515 405 N HA 0.037 4.778 4.740 0.001 0.000 0.185 405 N C -0.392 175.100 175.510 -0.031 0.000 1.109 405 N CA 0.470 53.499 53.050 -0.035 0.000 0.903 405 N CB 0.129 38.598 38.487 -0.031 0.000 0.969 405 N HN 0.511 nan 8.380 nan 0.000 0.450 406 N N 0.396 119.077 118.700 -0.033 0.000 2.458 406 N HA 0.295 5.035 4.740 0.001 0.000 0.274 406 N C 0.409 175.900 175.510 -0.031 0.000 1.242 406 N CA 0.126 53.158 53.050 -0.029 0.000 0.904 406 N CB 1.103 39.573 38.487 -0.028 0.000 1.206 406 N HN 0.223 nan 8.380 nan 0.000 0.510 407 G N 1.284 110.065 108.800 -0.032 0.000 2.298 407 G HA2 -0.102 3.858 3.960 0.001 0.000 0.309 407 G HA3 -0.102 3.858 3.960 0.001 0.000 0.309 407 G C -3.285 171.594 174.900 -0.035 0.000 1.279 407 G CA -0.968 44.114 45.100 -0.030 0.000 1.042 407 G HN -0.008 nan 8.290 nan 0.000 0.480 408 P HA 0.337 nan 4.420 nan 0.000 0.274 408 P C -2.558 174.698 177.300 -0.074 0.000 1.231 408 P CA -0.890 62.187 63.100 -0.039 0.000 0.790 408 P CB 0.818 32.505 31.700 -0.023 0.000 0.951 409 P HA 0.110 nan 4.420 nan 0.000 0.275 409 P C 0.804 177.981 177.300 -0.204 0.000 1.228 409 P CA -0.245 62.766 63.100 -0.149 0.000 0.786 409 P CB 1.136 32.738 31.700 -0.163 0.000 0.927 410 K N 1.684 121.943 120.400 -0.236 0.000 2.147 410 K HA -0.035 4.285 4.320 0.001 0.000 0.205 410 K C 0.216 176.524 176.600 -0.487 0.000 1.049 410 K CA 1.057 57.168 56.287 -0.293 0.000 0.936 410 K CB -0.092 32.251 32.500 -0.262 0.000 0.722 410 K HN 0.462 nan 8.250 nan 0.000 0.446 411 L N 0.701 121.569 121.223 -0.591 0.000 2.436 411 L HA 0.308 4.648 4.340 0.001 0.000 0.268 411 L C -1.045 175.396 176.870 -0.714 0.000 0.974 411 L CA -0.845 53.398 54.840 -0.995 0.000 0.826 411 L CB 2.195 43.455 42.059 -1.333 0.000 1.291 411 L HN 0.035 nan 8.230 nan 0.000 0.406 412 S N 2.262 117.602 115.700 -0.601 0.000 2.537 412 S HA 0.653 5.123 4.470 0.001 0.000 0.271 412 S C -0.935 173.845 174.600 0.299 0.000 1.148 412 S CA -1.047 57.090 58.200 -0.105 0.000 0.868 412 S CB 1.649 64.825 63.200 -0.040 0.000 1.115 412 S HN 0.506 nan 8.310 nan 0.000 0.461 413 M N 1.976 121.820 119.600 0.407 0.000 2.255 413 M HA 0.379 4.859 4.480 0.001 0.000 0.336 413 M C 0.354 176.929 176.300 0.459 0.000 1.135 413 M CA -0.474 55.123 55.300 0.495 0.000 1.145 413 M CB 0.332 33.155 32.600 0.370 0.000 1.473 413 M HN 0.851 nan 8.290 nan 0.000 0.462 414 F N 0.792 120.933 119.950 0.320 0.000 2.558 414 F HA 0.251 4.778 4.527 0.000 0.000 0.298 414 F C 0.875 176.945 175.800 0.450 0.000 1.119 414 F CA 0.755 58.972 58.000 0.361 0.000 1.451 414 F CB 0.268 39.399 39.000 0.219 0.000 1.091 414 F HN 0.576 nan 8.300 nan 0.000 0.563 415 G N -0.620 108.409 108.800 0.382 0.000 2.340 415 G HA2 0.435 4.395 3.960 0.001 0.000 0.298 415 G HA3 0.435 4.395 3.960 0.001 0.000 0.298 415 G C -2.313 172.786 174.900 0.332 0.000 1.498 415 G CA -0.602 44.699 45.100 0.335 0.000 0.847 415 G HN -0.014 nan 8.290 nan 0.000 0.594 416 V N 0.295 120.405 119.914 0.326 0.000 2.638 416 V HA 0.738 4.859 4.120 0.001 0.000 0.306 416 V C -0.185 176.158 176.094 0.414 0.000 1.052 416 V CA -0.654 61.841 62.300 0.326 0.000 0.885 416 V CB 2.204 34.205 31.823 0.296 0.000 0.999 416 V HN 0.927 nan 8.190 nan 0.000 0.424 417 T N 4.276 119.054 114.554 0.372 0.000 2.770 417 T HA 0.445 4.795 4.350 0.001 0.000 0.283 417 T C -0.890 174.024 174.700 0.357 0.000 0.988 417 T CA -0.206 62.126 62.100 0.386 0.000 0.957 417 T CB 0.754 69.775 68.868 0.256 0.000 0.930 417 T HN 0.527 nan 8.240 nan 0.000 0.443 418 Y N 3.894 124.381 120.300 0.310 0.000 2.304 418 Y HA 0.589 5.139 4.550 0.000 0.000 0.328 418 Y C -0.577 175.429 175.900 0.177 0.000 1.123 418 Y CA -1.106 57.164 58.100 0.284 0.000 1.218 418 Y CB 0.640 39.384 38.460 0.474 0.000 1.207 418 Y HN 0.586 nan 8.280 nan 0.000 0.495 419 L N 8.397 129.269 121.223 -0.585 0.000 2.305 419 L HA 0.632 4.973 4.340 0.001 0.000 0.284 419 L C -0.866 175.524 176.870 -0.800 0.000 1.013 419 L CA -0.461 54.117 54.840 -0.436 0.000 0.819 419 L CB 0.605 42.504 42.059 -0.267 0.000 1.227 419 L HN 0.887 nan 8.230 nan 0.000 0.417 420 R N 4.098 124.406 120.500 -0.320 0.000 2.795 420 R HA 0.461 4.802 4.340 0.001 0.000 0.268 420 R C -1.775 174.620 176.300 0.159 0.000 1.041 420 R CA -0.892 55.202 56.100 -0.011 0.000 0.927 420 R CB 1.488 31.789 30.300 0.002 0.000 1.235 420 R HN 0.680 nan 8.270 nan 0.000 0.463 421 L N 2.845 124.157 121.223 0.149 0.000 2.360 421 L HA 0.317 4.658 4.340 0.001 0.000 0.276 421 L C -0.884 176.044 176.870 0.097 0.000 1.121 421 L CA 0.419 55.333 54.840 0.124 0.000 0.845 421 L CB 0.830 42.950 42.059 0.101 0.000 1.143 421 L HN 0.875 nan 8.230 nan 0.000 0.452 422 S N 1.667 117.419 115.700 0.086 0.000 2.615 422 S HA 0.307 4.777 4.470 0.001 0.000 0.269 422 S C 0.033 174.639 174.600 0.010 0.000 1.161 422 S CA -0.933 57.305 58.200 0.063 0.000 0.817 422 S CB 1.381 64.645 63.200 0.106 0.000 1.131 422 S HN 0.608 nan 8.310 nan 0.000 0.467 423 D N 0.854 121.245 120.400 -0.014 0.000 2.218 423 D HA -0.063 4.577 4.640 0.001 0.000 0.204 423 D C 0.739 176.989 176.300 -0.083 0.000 0.976 423 D CA 1.259 55.224 54.000 -0.057 0.000 0.853 423 D CB -0.271 40.500 40.800 -0.048 0.000 0.939 423 D HN 0.569 nan 8.370 nan 0.000 0.481 424 D N 0.432 120.787 120.400 -0.075 0.000 2.144 424 D HA -0.116 4.525 4.640 0.001 0.000 0.199 424 D C 2.101 178.251 176.300 -0.250 0.000 0.984 424 D CA 0.236 54.118 54.000 -0.197 0.000 0.834 424 D CB -0.273 40.388 40.800 -0.233 0.000 0.955 424 D HN 0.157 nan 8.370 nan 0.000 0.465 425 L N 0.354 121.553 121.223 -0.039 0.000 2.056 425 L HA -0.091 4.249 4.340 0.001 0.000 0.207 425 L C 1.633 178.494 176.870 -0.015 0.000 1.078 425 L CA 1.357 56.244 54.840 0.078 0.000 0.749 425 L CB -0.310 41.837 42.059 0.146 0.000 0.901 425 L HN -0.017 nan 8.230 nan 0.000 0.433 426 L N -0.076 121.042 121.223 -0.175 0.000 2.552 426 L HA 0.036 4.376 4.340 0.001 0.000 0.227 426 L C 1.209 177.961 176.870 -0.196 0.000 1.146 426 L CA 0.621 55.227 54.840 -0.390 0.000 0.858 426 L CB -1.782 40.021 42.059 -0.427 0.000 0.969 426 L HN 0.501 nan 8.230 nan 0.000 0.451 427 Q N 1.476 121.214 119.800 -0.102 0.000 2.315 427 Q HA -0.125 4.216 4.340 0.001 0.000 0.289 427 Q C 1.365 177.379 176.000 0.023 0.000 1.044 427 Q CA 0.139 55.906 55.803 -0.061 0.000 0.920 427 Q CB 0.933 29.617 28.738 -0.090 0.000 1.214 427 Q HN 0.071 nan 8.270 nan 0.000 0.392 428 K N 2.748 123.165 120.400 0.028 0.000 2.013 428 K HA -0.243 4.078 4.320 0.001 0.000 0.225 428 K C 1.627 178.290 176.600 0.106 0.000 1.056 428 K CA 2.624 58.958 56.287 0.078 0.000 0.971 428 K CB -0.584 31.941 32.500 0.043 0.000 0.731 428 K HN 0.674 nan 8.250 nan 0.000 0.450 429 S N 1.237 116.975 115.700 0.063 0.000 2.356 429 S HA -0.108 4.362 4.470 0.001 0.000 0.223 429 S C 1.720 176.382 174.600 0.102 0.000 1.032 429 S CA 1.376 59.616 58.200 0.066 0.000 1.005 429 S CB -0.360 62.864 63.200 0.039 0.000 0.867 429 S HN 0.374 nan 8.310 nan 0.000 0.449 430 N N 0.886 119.643 118.700 0.094 0.000 2.084 430 N HA -0.057 4.684 4.740 0.001 0.000 0.190 430 N C 1.410 177.082 175.510 0.270 0.000 1.030 430 N CA 0.972 54.114 53.050 0.153 0.000 0.849 430 N CB -0.611 37.877 38.487 0.002 0.000 1.012 430 N HN 0.325 nan 8.380 nan 0.000 0.423 431 F N 1.915 121.901 119.950 0.059 0.000 2.216 431 F HA -0.069 4.459 4.527 0.002 0.000 0.300 431 F C 2.033 177.901 175.800 0.113 0.000 1.085 431 F CA 0.838 58.890 58.000 0.086 0.000 1.326 431 F CB -0.514 38.504 39.000 0.029 0.000 1.027 431 F HN 0.003 nan 8.300 nan 0.000 0.497 432 N N 0.343 119.111 118.700 0.113 0.000 2.084 432 N HA -0.170 4.570 4.740 0.001 0.000 0.190 432 N C 1.912 177.392 175.510 -0.049 0.000 1.030 432 N CA 1.881 54.929 53.050 -0.004 0.000 0.849 432 N CB -0.244 38.265 38.487 0.037 0.000 1.012 432 N HN 0.302 nan 8.380 nan 0.000 0.423 433 I N -0.731 119.857 120.570 0.030 0.000 2.252 433 I HA -0.209 3.962 4.170 0.001 0.000 0.245 433 I C 1.721 177.748 176.117 -0.149 0.000 1.102 433 I CA 0.630 61.936 61.300 0.011 0.000 1.385 433 I CB -0.293 37.808 38.000 0.169 0.000 1.064 433 I HN 0.129 nan 8.210 nan 0.000 0.414 434 F N 2.341 122.129 119.950 -0.270 0.000 2.126 434 F HA -0.243 4.285 4.527 0.001 0.000 0.299 434 F C 2.388 177.918 175.800 -0.449 0.000 1.096 434 F CA 1.740 59.468 58.000 -0.452 0.000 1.255 434 F CB -0.261 38.576 39.000 -0.272 0.000 0.997 434 F HN -0.130 nan 8.300 nan 0.000 0.479 435 K N 0.112 120.241 120.400 -0.452 0.000 2.103 435 K HA -0.191 4.130 4.320 0.001 0.000 0.207 435 K C 2.049 178.373 176.600 -0.459 0.000 1.048 435 K CA 1.705 57.688 56.287 -0.507 0.000 0.930 435 K CB -0.192 32.065 32.500 -0.405 0.000 0.716 435 K HN 0.299 nan 8.250 nan 0.000 0.444 436 K N 0.060 120.247 120.400 -0.355 0.000 2.103 436 K HA -0.118 4.202 4.320 0.001 0.000 0.204 436 K C 2.002 178.391 176.600 -0.352 0.000 1.052 436 K CA 1.050 57.165 56.287 -0.286 0.000 0.945 436 K CB -0.199 32.195 32.500 -0.176 0.000 0.722 436 K HN 0.074 nan 8.250 nan 0.000 0.443 437 F N 2.009 121.562 119.950 -0.662 0.000 2.095 437 F HA -0.228 4.300 4.527 0.000 0.000 0.298 437 F C 1.863 177.228 175.800 -0.725 0.000 1.104 437 F CA 1.209 58.764 58.000 -0.741 0.000 1.232 437 F CB -0.607 37.639 39.000 -1.257 0.000 0.987 437 F HN -0.297 nan 8.300 nan 0.000 0.475 438 V N 0.738 119.950 119.914 -1.170 0.000 2.332 438 V HA -0.281 3.839 4.120 0.001 0.000 0.248 438 V C 2.466 177.915 176.094 -1.075 0.000 1.055 438 V CA 1.836 63.359 62.300 -1.295 0.000 1.038 438 V CB -0.987 30.196 31.823 -1.068 0.000 0.651 438 V HN 0.491 nan 8.190 nan 0.000 0.450 439 L N 0.153 120.966 121.223 -0.683 0.000 2.012 439 L HA -0.146 4.195 4.340 0.001 0.000 0.210 439 L C 2.417 179.051 176.870 -0.392 0.000 1.073 439 L CA 1.995 56.571 54.840 -0.441 0.000 0.748 439 L CB -0.703 41.183 42.059 -0.287 0.000 0.891 439 L HN 0.144 nan 8.230 nan 0.000 0.431 440 K N -1.001 119.164 120.400 -0.391 0.000 2.148 440 K HA -0.037 4.283 4.320 0.001 0.000 0.204 440 K C 2.037 178.429 176.600 -0.347 0.000 1.050 440 K CA 1.080 57.195 56.287 -0.288 0.000 0.942 440 K CB -0.442 31.943 32.500 -0.191 0.000 0.724 440 K HN 0.342 nan 8.250 nan 0.000 0.446 441 M N 0.109 119.372 119.600 -0.561 0.000 2.229 441 M HA -0.110 4.371 4.480 0.001 0.000 0.264 441 M C 1.492 177.493 176.300 -0.499 0.000 1.063 441 M CA 1.555 56.519 55.300 -0.561 0.000 1.114 441 M CB -0.923 31.160 32.600 -0.861 0.000 1.387 441 M HN 0.288 nan 8.290 nan 0.000 0.420 442 H N -0.224 118.414 119.070 -0.720 0.000 2.543 442 H HA 0.277 4.834 4.556 0.001 0.000 0.269 442 H C 0.773 175.833 175.328 -0.447 0.000 1.005 442 H CA 0.062 55.563 56.048 -0.912 0.000 1.146 442 H CB 0.150 29.391 29.762 -0.868 0.000 1.353 442 H HN 0.473 nan 8.280 nan 0.000 0.595 443 A N 1.665 124.352 122.820 -0.220 0.000 2.791 443 A HA -0.260 4.061 4.320 0.001 0.000 0.292 443 A C 0.388 177.914 177.584 -0.096 0.000 1.487 443 A CA 0.752 52.707 52.037 -0.137 0.000 0.760 443 A CB -1.977 16.962 19.000 -0.101 0.000 1.031 443 A HN 0.719 nan 8.150 nan 0.000 0.503 444 D N -2.356 117.977 120.400 -0.111 0.000 3.076 444 D HA -0.158 4.482 4.640 0.001 0.000 0.218 444 D C 0.181 176.454 176.300 -0.045 0.000 1.156 444 D CA 2.007 55.958 54.000 -0.082 0.000 0.921 444 D CB -0.583 40.177 40.800 -0.067 0.000 1.113 444 D HN 0.877 nan 8.370 nan 0.000 0.418 445 Q N 0.475 120.263 119.800 -0.020 0.000 2.215 445 Q HA 0.389 4.729 4.340 0.001 0.000 0.256 445 Q C 0.278 176.313 176.000 0.058 0.000 0.972 445 Q CA -0.473 55.343 55.803 0.022 0.000 0.889 445 Q CB 1.111 29.888 28.738 0.064 0.000 1.281 445 Q HN 0.032 nan 8.270 nan 0.000 0.456 446 D N 0.433 120.865 120.400 0.053 0.000 2.363 446 D HA -0.003 4.637 4.640 0.001 0.000 0.240 446 D C -0.230 176.160 176.300 0.150 0.000 1.236 446 D CA -0.089 53.966 54.000 0.091 0.000 0.927 446 D CB 0.232 41.068 40.800 0.060 0.000 1.150 446 D HN 0.343 nan 8.370 nan 0.000 0.458 447 Y N 0.489 120.842 120.300 0.088 0.000 2.811 447 Y HA 0.013 4.564 4.550 0.001 0.000 0.334 447 Y C -0.260 175.644 175.900 0.007 0.000 1.247 447 Y CA -0.477 57.672 58.100 0.081 0.000 1.526 447 Y CB 0.367 38.876 38.460 0.082 0.000 1.284 447 Y HN 0.238 nan 8.280 nan 0.000 0.586 448 C N 8.021 126.807 119.300 -0.856 0.000 2.291 448 C HA 0.695 5.156 4.460 0.001 0.000 0.322 448 C C 1.249 175.649 174.990 -0.983 0.000 1.205 448 C CA -0.147 58.384 59.018 -0.812 0.000 1.495 448 C CB -1.036 26.266 27.740 -0.730 0.000 2.127 448 C HN 1.102 nan 8.230 nan 0.000 0.452 449 A N 4.550 126.866 122.820 -0.839 0.000 1.933 449 A HA -0.044 4.276 4.320 0.001 0.000 0.218 449 A C 1.206 178.653 177.584 -0.228 0.000 1.175 449 A CA 1.354 53.137 52.037 -0.424 0.000 0.628 449 A CB -0.329 18.608 19.000 -0.104 0.000 0.814 449 A HN 0.816 nan 8.150 nan 0.000 0.444 450 N N -0.081 118.464 118.700 -0.258 0.000 2.437 450 N HA 0.292 5.033 4.740 0.001 0.000 0.243 450 N C -2.270 172.988 175.510 -0.420 0.000 1.041 450 N CA -2.350 50.554 53.050 -0.243 0.000 0.940 450 N CB 1.206 39.578 38.487 -0.191 0.000 1.133 450 N HN -0.079 nan 8.380 nan 0.000 0.506 451 P HA -0.178 nan 4.420 nan 0.000 0.218 451 P C 1.122 177.912 177.300 -0.851 0.000 1.146 451 P CA 1.082 63.624 63.100 -0.930 0.000 0.813 451 P CB 0.339 31.804 31.700 -0.393 0.000 0.778 452 Q N 0.213 119.754 119.800 -0.432 0.000 2.181 452 Q HA -0.210 4.130 4.340 0.001 0.000 0.205 452 Q C 1.842 177.667 176.000 -0.291 0.000 0.980 452 Q CA 1.528 57.164 55.803 -0.278 0.000 0.862 452 Q CB -0.231 28.405 28.738 -0.170 0.000 0.905 452 Q HN 0.207 nan 8.270 nan 0.000 0.429 453 K N -0.080 120.110 120.400 -0.350 0.000 2.103 453 K HA -0.178 4.143 4.320 0.001 0.000 0.207 453 K C 0.918 177.410 176.600 -0.180 0.000 1.048 453 K CA 1.503 57.645 56.287 -0.241 0.000 0.930 453 K CB -0.092 32.273 32.500 -0.224 0.000 0.716 453 K HN 0.468 nan 8.250 nan 0.000 0.444 454 Y N -0.586 119.569 120.300 -0.241 0.000 2.756 454 Y HA 0.337 4.888 4.550 0.000 0.000 0.300 454 Y C -0.335 175.545 175.900 -0.033 0.000 1.113 454 Y CA -0.960 57.019 58.100 -0.202 0.000 1.291 454 Y CB -1.051 37.177 38.460 -0.386 0.000 1.175 454 Y HN 0.066 nan 8.280 nan 0.000 0.534 455 N N 1.061 119.746 118.700 -0.026 0.000 2.740 455 N HA -0.288 4.453 4.740 0.001 0.000 0.248 455 N C -0.733 174.893 175.510 0.193 0.000 1.062 455 N CA 0.539 53.629 53.050 0.067 0.000 0.704 455 N CB -0.923 37.634 38.487 0.117 0.000 0.968 455 N HN 0.706 nan 8.380 nan 0.000 0.547 456 H N -0.806 118.147 119.070 -0.195 0.000 2.575 456 H HA 0.438 4.994 4.556 0.001 0.000 0.256 456 H C 0.249 175.518 175.328 -0.099 0.000 1.162 456 H CA 0.517 56.504 56.048 -0.102 0.000 0.969 456 H CB 0.524 30.137 29.762 -0.247 0.000 1.796 456 H HN 0.452 nan 8.280 nan 0.000 0.607 457 A N 1.072 123.882 122.820 -0.017 0.000 2.511 457 A HA 0.255 4.575 4.320 0.001 0.000 0.242 457 A C 0.108 177.705 177.584 0.022 0.000 1.069 457 A CA 0.080 52.100 52.037 -0.029 0.000 0.763 457 A CB -0.172 18.802 19.000 -0.043 0.000 1.001 457 A HN 0.436 nan 8.150 nan 0.000 0.498 458 I N 2.825 123.411 120.570 0.026 0.000 2.354 458 I HA 0.305 4.475 4.170 0.001 0.000 0.292 458 I C 0.829 176.955 176.117 0.015 0.000 0.989 458 I CA -0.309 61.017 61.300 0.042 0.000 1.188 458 I CB 1.781 39.821 38.000 0.067 0.000 1.342 458 I HN 0.825 nan 8.210 nan 0.000 0.457 459 T N 3.235 117.791 114.554 0.003 0.000 2.936 459 T HA 0.519 4.870 4.350 0.001 0.000 0.282 459 T C -2.648 172.048 174.700 -0.006 0.000 1.003 459 T CA -2.349 59.745 62.100 -0.009 0.000 1.005 459 T CB 1.407 70.260 68.868 -0.026 0.000 1.097 459 T HN 0.171 nan 8.240 nan 0.000 0.532 460 P HA 0.103 nan 4.420 nan 0.000 0.264 460 P C -0.088 177.209 177.300 -0.005 0.000 1.193 460 P CA -0.357 62.746 63.100 0.005 0.000 0.763 460 P CB 0.246 31.948 31.700 0.002 0.000 0.810 461 L N 4.303 125.538 121.223 0.020 0.000 2.534 461 L HA 0.012 4.352 4.340 0.001 0.000 0.271 461 L C 0.699 177.577 176.870 0.013 0.000 1.178 461 L CA 0.390 55.243 54.840 0.022 0.000 0.907 461 L CB 0.152 42.259 42.059 0.080 0.000 1.164 461 L HN 0.315 nan 8.230 nan 0.000 0.482 462 K N 6.483 126.859 120.400 -0.041 0.000 2.087 462 K HA 0.453 4.773 4.320 0.001 0.000 0.255 462 K C -2.288 174.347 176.600 0.058 0.000 0.988 462 K CA -1.669 54.597 56.287 -0.035 0.000 0.915 462 K CB 0.838 33.251 32.500 -0.145 0.000 1.043 462 K HN 0.438 nan 8.250 nan 0.000 0.457 463 P HA 0.018 nan 4.420 nan 0.000 0.269 463 P C -0.421 176.990 177.300 0.185 0.000 1.209 463 P CA -0.047 63.121 63.100 0.114 0.000 0.776 463 P CB 0.521 32.264 31.700 0.073 0.000 0.876 464 S N 0.827 116.631 115.700 0.173 0.000 2.563 464 S HA 0.278 4.749 4.470 0.001 0.000 0.284 464 S C 0.832 175.438 174.600 0.010 0.000 1.331 464 S CA -0.292 57.964 58.200 0.092 0.000 1.047 464 S CB 0.141 63.366 63.200 0.041 0.000 0.859 464 S HN 0.670 nan 8.310 nan 0.000 0.514 465 A N 3.888 126.647 122.820 -0.102 0.000 2.327 465 A HA 0.482 4.803 4.320 0.001 0.000 0.255 465 A C -2.269 175.254 177.584 -0.103 0.000 1.099 465 A CA -1.277 50.715 52.037 -0.075 0.000 0.801 465 A CB -0.816 18.116 19.000 -0.112 0.000 1.062 465 A HN 0.540 nan 8.150 nan 0.000 0.496 466 P HA 0.004 nan 4.420 nan 0.000 0.267 466 P C -0.250 177.003 177.300 -0.079 0.000 1.201 466 P CA -0.135 62.933 63.100 -0.052 0.000 0.775 466 P CB 0.371 32.053 31.700 -0.030 0.000 0.854 467 K N 2.938 123.305 120.400 -0.055 0.000 2.448 467 K HA 0.105 4.425 4.320 0.001 0.000 0.278 467 K C -0.219 176.354 176.600 -0.045 0.000 1.009 467 K CA 0.339 56.595 56.287 -0.052 0.000 0.995 467 K CB -0.171 32.319 32.500 -0.017 0.000 0.917 467 K HN 0.401 nan 8.250 nan 0.000 0.481 468 I N 7.867 128.407 120.570 -0.050 0.000 2.304 468 I HA 0.166 4.336 4.170 0.001 0.000 0.291 468 I C -1.717 174.391 176.117 -0.014 0.000 1.018 468 I CA -2.207 59.072 61.300 -0.035 0.000 1.260 468 I CB 1.554 39.528 38.000 -0.044 0.000 1.390 468 I HN 0.423 nan 8.210 nan 0.000 0.475 469 P HA -0.037 nan 4.420 nan 0.000 0.267 469 P C 0.877 178.182 177.300 0.008 0.000 1.200 469 P CA -0.121 62.982 63.100 0.006 0.000 0.772 469 P CB 1.344 33.050 31.700 0.009 0.000 0.855 470 I N 2.660 123.239 120.570 0.015 0.000 2.236 470 I HA -0.306 3.865 4.170 0.001 0.000 0.249 470 I C 2.205 178.332 176.117 0.017 0.000 1.102 470 I CA 1.774 63.084 61.300 0.016 0.000 1.365 470 I CB -0.630 37.384 38.000 0.023 0.000 1.051 470 I HN 0.442 nan 8.210 nan 0.000 0.420 471 E N -0.008 120.204 120.200 0.020 0.000 2.077 471 E HA -0.175 4.176 4.350 0.001 0.000 0.193 471 E C 2.172 178.779 176.600 0.012 0.000 0.989 471 E CA 1.884 58.295 56.400 0.020 0.000 0.800 471 E CB -1.206 28.508 29.700 0.023 0.000 0.746 471 E HN 0.416 nan 8.360 nan 0.000 0.452 472 V N 1.215 121.133 119.914 0.008 0.000 2.427 472 V HA -0.207 3.913 4.120 0.001 0.000 0.248 472 V C 2.502 178.595 176.094 -0.001 0.000 1.051 472 V CA 1.146 63.448 62.300 0.002 0.000 1.048 472 V CB -0.514 31.308 31.823 -0.001 0.000 0.666 472 V HN 0.110 nan 8.190 nan 0.000 0.456 473 L N -0.437 120.786 121.223 -0.001 0.000 2.017 473 L HA -0.089 4.252 4.340 0.001 0.000 0.208 473 L C 2.145 179.013 176.870 -0.004 0.000 1.073 473 L CA 1.821 56.660 54.840 -0.002 0.000 0.745 473 L CB -0.809 41.250 42.059 0.001 0.000 0.894 473 L HN 0.239 nan 8.230 nan 0.000 0.432 474 L N -1.008 120.215 121.223 -0.001 0.000 2.549 474 L HA -0.151 4.190 4.340 0.001 0.000 0.229 474 L C 2.087 178.949 176.870 -0.014 0.000 1.158 474 L CA 0.461 55.296 54.840 -0.008 0.000 0.842 474 L CB -0.478 41.583 42.059 0.003 0.000 0.952 474 L HN 0.386 nan 8.230 nan 0.000 0.452 475 E N 0.528 120.724 120.200 -0.008 0.000 2.274 475 E HA -0.113 4.237 4.350 0.001 0.000 0.194 475 E C 2.053 178.645 176.600 -0.014 0.000 0.996 475 E CA 0.748 57.143 56.400 -0.008 0.000 0.840 475 E CB 0.065 29.764 29.700 -0.002 0.000 0.772 475 E HN 0.482 nan 8.360 nan 0.000 0.491 476 A N 1.025 123.836 122.820 -0.014 0.000 2.235 476 A HA -0.065 4.255 4.320 0.001 0.000 0.208 476 A C 2.131 179.698 177.584 -0.029 0.000 1.172 476 A CA 1.095 53.123 52.037 -0.014 0.000 0.786 476 A CB -0.597 18.398 19.000 -0.007 0.000 0.804 476 A HN 0.293 nan 8.150 nan 0.000 0.479 477 T N -2.283 112.244 114.554 -0.045 0.000 3.085 477 T HA 0.029 4.379 4.350 0.001 0.000 0.263 477 T C 0.855 175.514 174.700 -0.069 0.000 1.127 477 T CA 0.432 62.486 62.100 -0.077 0.000 1.103 477 T CB -0.429 68.372 68.868 -0.111 0.000 0.921 477 T HN 0.424 nan 8.240 nan 0.000 0.510 478 K N 3.127 123.500 120.400 -0.045 0.000 2.419 478 K HA 0.154 4.474 4.320 0.001 0.000 0.282 478 K C -2.615 173.964 176.600 -0.034 0.000 1.056 478 K CA -1.678 54.587 56.287 -0.036 0.000 1.035 478 K CB 0.167 32.653 32.500 -0.023 0.000 0.921 478 K HN 0.122 nan 8.250 nan 0.000 0.472 479 P HA -0.021 nan 4.420 nan 0.000 0.265 479 P C -1.058 176.227 177.300 -0.026 0.000 1.193 479 P CA 0.052 63.134 63.100 -0.030 0.000 0.765 479 P CB 0.886 32.569 31.700 -0.029 0.000 0.823 480 T N 0.269 114.807 114.554 -0.027 0.000 2.906 480 T HA 0.597 4.947 4.350 0.001 0.000 0.295 480 T C -0.301 174.370 174.700 -0.049 0.000 1.075 480 T CA -1.046 61.028 62.100 -0.042 0.000 1.005 480 T CB 0.718 69.553 68.868 -0.055 0.000 1.136 480 T HN 0.055 nan 8.240 nan 0.000 0.498 481 L N 2.927 124.110 121.223 -0.066 0.000 2.349 481 L HA 0.423 4.764 4.340 0.001 0.000 0.275 481 L C -1.473 175.334 176.870 -0.105 0.000 1.115 481 L CA -1.845 52.959 54.840 -0.060 0.000 0.820 481 L CB 0.314 42.345 42.059 -0.048 0.000 1.135 481 L HN 0.580 nan 8.230 nan 0.000 0.445 482 P HA 0.139 nan 4.420 nan 0.000 0.274 482 P C -0.699 176.631 177.300 0.049 0.000 1.256 482 P CA -0.357 62.745 63.100 0.003 0.000 0.795 482 P CB 0.544 32.261 31.700 0.030 0.000 1.038 483 F N 0.847 120.998 119.950 0.335 0.000 2.444 483 F HA 0.222 4.750 4.527 0.001 0.000 0.331 483 F C -1.168 174.874 175.800 0.404 0.000 1.167 483 F CA -1.561 56.633 58.000 0.324 0.000 1.262 483 F CB -0.568 38.632 39.000 0.333 0.000 1.196 483 F HN 0.213 nan 8.300 nan 0.000 0.583 484 P HA -0.048 nan 4.420 nan 0.000 0.271 484 P C -0.821 176.739 177.300 0.433 0.000 1.220 484 P CA -0.119 63.200 63.100 0.365 0.000 0.768 484 P CB 0.647 32.476 31.700 0.215 0.000 0.848 485 W N 3.155 124.520 121.300 0.109 0.000 2.570 485 W HA 0.256 4.917 4.660 0.000 0.000 0.337 485 W C -0.191 176.366 176.519 0.063 0.000 1.067 485 W CA -0.730 56.671 57.345 0.093 0.000 1.229 485 W CB 2.133 31.648 29.460 0.091 0.000 1.355 485 W HN 0.207 nan 8.180 nan 0.000 0.555 486 L N 5.661 126.976 121.223 0.154 0.000 2.436 486 L HA 0.143 4.484 4.340 0.001 0.000 0.265 486 L C -0.839 176.128 176.870 0.162 0.000 1.168 486 L CA -1.493 53.408 54.840 0.103 0.000 0.815 486 L CB 0.306 42.376 42.059 0.018 0.000 1.109 486 L HN 0.241 nan 8.230 nan 0.000 0.462 487 P HA -0.069 nan 4.420 nan 0.000 0.225 487 P C -0.712 176.647 177.300 0.098 0.000 1.156 487 P CA 0.770 63.935 63.100 0.108 0.000 0.787 487 P CB 0.328 32.072 31.700 0.075 0.000 0.802 488 E N -2.512 117.736 120.200 0.081 0.000 2.388 488 E HA 0.319 4.669 4.350 0.001 0.000 0.280 488 E C -1.108 175.520 176.600 0.048 0.000 1.019 488 E CA -0.910 55.530 56.400 0.068 0.000 0.806 488 E CB 0.683 30.413 29.700 0.049 0.000 1.246 488 E HN -0.330 nan 8.360 nan 0.000 0.443 489 T N 0.345 114.926 114.554 0.044 0.000 2.900 489 T HA 0.023 4.373 4.350 0.001 0.000 0.307 489 T C 0.663 175.366 174.700 0.004 0.000 1.065 489 T CA 0.433 62.544 62.100 0.019 0.000 1.105 489 T CB 0.400 69.284 68.868 0.027 0.000 0.979 489 T HN 0.616 nan 8.240 nan 0.000 0.544 490 D N 3.108 123.499 120.400 -0.015 0.000 2.340 490 D HA 0.001 4.641 4.640 0.001 0.000 0.220 490 D C 0.527 176.812 176.300 -0.026 0.000 1.039 490 D CA 0.262 54.250 54.000 -0.020 0.000 0.866 490 D CB 0.104 40.886 40.800 -0.030 0.000 0.913 490 D HN 0.379 nan 8.370 nan 0.000 0.523 491 M N 1.055 120.639 119.600 -0.026 0.000 3.003 491 M HA 0.251 4.732 4.480 0.001 0.000 0.221 491 M C -0.493 175.794 176.300 -0.021 0.000 1.126 491 M CA -0.399 54.879 55.300 -0.038 0.000 0.778 491 M CB 0.881 33.443 32.600 -0.062 0.000 1.380 491 M HN -0.217 nan 8.290 nan 0.000 0.508 492 K N -0.080 120.316 120.400 -0.007 0.000 2.319 492 K HA 0.213 4.533 4.320 0.001 0.000 0.265 492 K C 1.198 177.799 176.600 0.002 0.000 1.000 492 K CA -0.289 56.005 56.287 0.012 0.000 0.943 492 K CB 1.770 34.279 32.500 0.015 0.000 0.950 492 K HN 0.087 nan 8.250 nan 0.000 0.485 493 V N 1.206 121.134 119.914 0.024 0.000 2.535 493 V HA -0.117 4.004 4.120 0.001 0.000 0.246 493 V C -0.289 175.809 176.094 0.007 0.000 1.045 493 V CA 0.857 63.162 62.300 0.008 0.000 1.058 493 V CB -0.632 31.216 31.823 0.043 0.000 0.689 493 V HN 0.933 nan 8.190 nan 0.000 0.461 494 D N -0.172 120.242 120.400 0.024 0.000 9.995 494 D HA -0.021 4.620 4.640 0.001 0.000 0.302 494 D C 0.348 176.663 176.300 0.024 0.000 2.824 494 D CA 1.406 55.418 54.000 0.019 0.000 2.571 494 D CB -0.699 40.104 40.800 0.005 0.000 1.084 494 D HN 0.877 nan 8.370 nan 0.000 0.817 495 G N 0.000 108.817 108.800 0.029 0.000 5.446 495 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 495 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 495 G CA 0.000 45.119 45.100 0.032 0.000 0.502 495 G HN 0.000 nan 8.290 nan 0.000 0.925