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 3kdz_1_A DATA FIRST_RESID 11 DATA SEQUENCE VPVSVDGETL TVEAVRRVAE ERATVDVPAE SIAKAQKSRE IFEGIAEQNI DATA SEQUENCE PIFGVTTGYG EMIYMQVDKS KEVELQTNLV RSHSAGVGPL FAEDEARAIV DATA SEQUENCE AARLNTLAKG HSAVRPIILE RLAQYLNEGI TPAIPEIGSL GXXXDLAPLS DATA SEQUENCE HVASTLIGEG YVLRDGRPVE TAQVLAERGI EPLELRFKEG LALINGTSGM DATA SEQUENCE TGLGSLVVGR ALEQAQQAEI VTALLIEAVR GSTSPFLAEG HDIARPHEGQ DATA SEQUENCE IDTAANMRAL MRGSGLTVEH ADLRRELQKD KEAGKDVQRS EIYLQKAYSL DATA SEQUENCE RAIPQVVGAV RDTLYHARHK LRIELNSAND NPLFFEGKEI FHGANFHGQP DATA SEQUENCE IAFAMDFVTI ALTQLGVLAE RQINRVLNRH LSYGLPEFLV SGDPGLHSGF DATA SEQUENCE AGAQYPATAL VAENRTIGPA STQSVPSNGD NQDVVSMGLI SARNARRVLS DATA SEQUENCE NNNKILAVEY LAAAQAVDIS GRFDGLSPAA KATYEAVRRL VPTLGVDRYM DATA SEQUENCE ADDIELVADA LSRGEFLRAI ARETDIQLR 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 11 V HA 0.000 nan 4.120 nan 0.000 0.244 11 V C 0.000 176.098 176.094 0.006 0.000 1.182 11 V CA 0.000 62.303 62.300 0.006 0.000 1.235 11 V CB 0.000 31.826 31.823 0.006 0.000 1.184 12 P HA 0.483 nan 4.420 nan 0.000 0.271 12 P C -0.438 176.866 177.300 0.007 0.000 1.218 12 P CA 0.102 63.206 63.100 0.006 0.000 0.780 12 P CB 2.321 34.024 31.700 0.006 0.000 0.901 13 V N 1.786 121.704 119.914 0.007 0.000 2.384 13 V HA 0.178 4.299 4.120 0.002 0.000 0.287 13 V C 0.666 176.764 176.094 0.006 0.000 1.020 13 V CA -0.459 61.845 62.300 0.007 0.000 0.850 13 V CB 1.393 33.221 31.823 0.008 0.000 0.987 13 V HN 0.688 nan 8.190 nan 0.000 0.436 14 S N 4.472 120.176 115.700 0.006 0.000 2.405 14 S HA 0.308 4.779 4.470 0.002 0.000 0.291 14 S C -0.210 174.393 174.600 0.005 0.000 1.137 14 S CA -0.447 57.756 58.200 0.005 0.000 1.061 14 S CB 0.324 63.527 63.200 0.005 0.000 1.001 14 S HN 0.507 nan 8.310 nan 0.000 0.507 15 V N 6.693 126.609 119.914 0.003 0.000 2.284 15 V HA 0.217 4.338 4.120 0.002 0.000 0.260 15 V C 0.466 176.560 176.094 0.000 0.000 1.084 15 V CA -0.398 61.903 62.300 0.002 0.000 0.894 15 V CB 0.561 32.384 31.823 -0.001 0.000 1.119 15 V HN 0.932 nan 8.190 nan 0.000 0.484 16 D N 2.263 122.666 120.400 0.004 0.000 2.433 16 D HA 0.166 4.807 4.640 0.002 0.000 0.211 16 D C 1.466 177.771 176.300 0.009 0.000 1.114 16 D CA 0.489 54.491 54.000 0.003 0.000 0.837 16 D CB 0.603 41.406 40.800 0.006 0.000 0.984 16 D HN 0.621 nan 8.370 nan 0.000 0.505 17 G N 0.435 109.244 108.800 0.014 0.000 2.153 17 G HA2 -0.296 3.665 3.960 0.002 0.000 0.252 17 G HA3 -0.296 3.665 3.960 0.002 0.000 0.252 17 G C 0.725 175.649 174.900 0.039 0.000 0.994 17 G CA 0.676 45.792 45.100 0.027 0.000 0.698 17 G HN 0.391 nan 8.290 nan 0.000 0.521 18 E N -1.869 118.350 120.200 0.031 0.000 2.583 18 E HA 0.058 4.409 4.350 0.002 0.000 0.204 18 E C 1.936 178.553 176.600 0.028 0.000 0.860 18 E CA 1.337 57.758 56.400 0.035 0.000 1.473 18 E CB -0.038 29.683 29.700 0.035 0.000 1.469 18 E HN 0.773 nan 8.360 nan 0.000 0.788 19 T N -0.777 113.790 114.554 0.022 0.000 3.145 19 T HA 0.289 4.640 4.350 0.002 0.000 0.281 19 T C 0.488 175.199 174.700 0.018 0.000 1.003 19 T CA -0.382 61.730 62.100 0.020 0.000 0.901 19 T CB -0.022 68.856 68.868 0.016 0.000 1.112 19 T HN -0.127 nan 8.240 nan 0.000 0.535 20 L N 4.513 125.747 121.223 0.018 0.000 2.455 20 L HA 0.463 4.804 4.340 0.002 0.000 0.272 20 L C 0.487 177.369 176.870 0.019 0.000 1.174 20 L CA 0.535 55.385 54.840 0.016 0.000 0.869 20 L CB 0.577 42.644 42.059 0.013 0.000 1.130 20 L HN 0.507 nan 8.230 nan 0.000 0.474 21 T N 1.202 115.767 114.554 0.019 0.000 2.952 21 T HA 0.408 4.759 4.350 0.002 0.000 0.286 21 T C 1.208 175.922 174.700 0.023 0.000 1.024 21 T CA -0.531 61.583 62.100 0.023 0.000 1.029 21 T CB 1.256 70.137 68.868 0.022 0.000 1.094 21 T HN 0.283 nan 8.240 nan 0.000 0.515 22 V N 0.913 120.845 119.914 0.030 0.000 2.332 22 V HA -0.105 4.016 4.120 0.002 0.000 0.248 22 V C 2.858 178.969 176.094 0.027 0.000 1.055 22 V CA 2.322 64.640 62.300 0.030 0.000 1.038 22 V CB -0.978 30.870 31.823 0.042 0.000 0.651 22 V HN 1.006 nan 8.190 nan 0.000 0.450 23 E N 0.240 120.458 120.200 0.030 0.000 2.110 23 E HA -0.162 4.189 4.350 0.002 0.000 0.193 23 E C 2.163 178.775 176.600 0.020 0.000 0.988 23 E CA 1.456 57.872 56.400 0.027 0.000 0.804 23 E CB -0.471 29.246 29.700 0.027 0.000 0.745 23 E HN 0.554 nan 8.360 nan 0.000 0.458 24 A N -0.180 122.651 122.820 0.018 0.000 1.902 24 A HA -0.142 4.179 4.320 0.002 0.000 0.217 24 A C 2.435 180.026 177.584 0.012 0.000 1.181 24 A CA 1.543 53.588 52.037 0.014 0.000 0.623 24 A CB -0.681 18.326 19.000 0.013 0.000 0.818 24 A HN 0.183 nan 8.150 nan 0.000 0.443 25 V N 0.099 120.019 119.914 0.011 0.000 2.407 25 V HA -0.284 3.837 4.120 0.002 0.000 0.248 25 V C 2.610 178.708 176.094 0.007 0.000 1.055 25 V CA 2.241 64.545 62.300 0.007 0.000 1.049 25 V CB -0.866 30.959 31.823 0.003 0.000 0.662 25 V HN 0.521 nan 8.190 nan 0.000 0.455 26 R N -0.313 120.194 120.500 0.012 0.000 2.092 26 R HA -0.105 4.237 4.340 0.002 0.000 0.231 26 R C 2.573 178.880 176.300 0.012 0.000 1.119 26 R CA 1.327 57.435 56.100 0.013 0.000 0.970 26 R CB -0.327 29.985 30.300 0.019 0.000 0.864 26 R HN 0.469 nan 8.270 nan 0.000 0.440 27 R N 0.112 120.619 120.500 0.012 0.000 2.083 27 R HA -0.112 4.229 4.340 0.002 0.000 0.237 27 R C 2.303 178.609 176.300 0.010 0.000 1.137 27 R CA 1.491 57.598 56.100 0.011 0.000 0.951 27 R CB -0.412 29.894 30.300 0.011 0.000 0.851 27 R HN 0.052 nan 8.270 nan 0.000 0.434 28 V N 0.650 120.569 119.914 0.009 0.000 2.343 28 V HA -0.233 3.888 4.120 0.002 0.000 0.247 28 V C 2.329 178.428 176.094 0.010 0.000 1.051 28 V CA 2.030 64.335 62.300 0.010 0.000 1.036 28 V CB -0.613 31.215 31.823 0.009 0.000 0.654 28 V HN 0.438 nan 8.190 nan 0.000 0.451 29 A N -0.581 122.243 122.820 0.007 0.000 1.874 29 A HA -0.148 4.173 4.320 0.002 0.000 0.214 29 A C 2.195 179.785 177.584 0.010 0.000 1.189 29 A CA 1.568 53.609 52.037 0.006 0.000 0.615 29 A CB -0.327 18.673 19.000 0.000 0.000 0.830 29 A HN 0.587 nan 8.150 nan 0.000 0.443 30 E N -0.307 119.899 120.200 0.010 0.000 2.042 30 E HA -0.071 4.280 4.350 0.002 0.000 0.189 30 E C 1.155 177.761 176.600 0.009 0.000 0.974 30 E CA 1.004 57.411 56.400 0.011 0.000 0.806 30 E CB -0.042 29.666 29.700 0.012 0.000 0.769 30 E HN 0.673 nan 8.360 nan 0.000 0.451 31 E N 0.633 120.838 120.200 0.009 0.000 2.419 31 E HA 0.079 4.430 4.350 0.002 0.000 0.190 31 E C -0.411 176.194 176.600 0.007 0.000 1.040 31 E CA -0.169 56.235 56.400 0.007 0.000 0.900 31 E CB 0.436 30.140 29.700 0.006 0.000 1.054 31 E HN 0.074 nan 8.360 nan 0.000 0.462 32 R N -1.028 119.477 120.500 0.009 0.000 3.758 32 R HA -0.198 4.143 4.340 0.002 0.000 0.299 32 R C -0.005 176.301 176.300 0.010 0.000 1.182 32 R CA 0.855 56.960 56.100 0.010 0.000 0.809 32 R CB -3.088 27.217 30.300 0.008 0.000 1.249 32 R HN 0.264 nan 8.270 nan 0.000 0.497 33 A N 1.036 123.862 122.820 0.010 0.000 2.565 33 A HA 0.235 4.556 4.320 0.002 0.000 0.237 33 A C 0.717 178.307 177.584 0.011 0.000 1.053 33 A CA 0.682 52.724 52.037 0.010 0.000 0.755 33 A CB 0.224 19.230 19.000 0.009 0.000 0.980 33 A HN 0.258 nan 8.150 nan 0.000 0.506 34 T N 1.575 116.135 114.554 0.010 0.000 2.926 34 T HA 0.342 4.693 4.350 0.002 0.000 0.307 34 T C 0.193 174.899 174.700 0.011 0.000 1.059 34 T CA 0.252 62.359 62.100 0.012 0.000 1.122 34 T CB 0.851 69.725 68.868 0.010 0.000 0.972 34 T HN 0.987 nan 8.240 nan 0.000 0.545 35 V N 2.173 122.095 119.914 0.012 0.000 2.628 35 V HA 0.683 4.804 4.120 0.002 0.000 0.306 35 V C -1.223 174.876 176.094 0.007 0.000 1.045 35 V CA -0.800 61.506 62.300 0.010 0.000 0.905 35 V CB 2.170 33.999 31.823 0.011 0.000 0.997 35 V HN 0.973 nan 8.190 nan 0.000 0.436 36 D N 3.688 124.091 120.400 0.005 0.000 2.788 36 D HA 0.366 5.007 4.640 0.002 0.000 0.247 36 D C -1.345 174.954 176.300 -0.001 0.000 1.236 36 D CA -0.306 53.695 54.000 0.002 0.000 0.898 36 D CB 2.208 43.009 40.800 0.003 0.000 1.401 36 D HN 0.561 nan 8.370 nan 0.000 0.549 37 V N 5.267 125.178 119.914 -0.004 0.000 2.348 37 V HA 0.533 4.654 4.120 0.002 0.000 0.270 37 V C -2.339 173.750 176.094 -0.008 0.000 1.037 37 V CA -1.797 60.498 62.300 -0.008 0.000 0.872 37 V CB 1.014 32.828 31.823 -0.014 0.000 1.002 37 V HN 0.558 nan 8.190 nan 0.000 0.464 38 P HA 0.138 nan 4.420 nan 0.000 0.266 38 P C 0.658 177.953 177.300 -0.009 0.000 1.195 38 P CA 0.449 63.546 63.100 -0.006 0.000 0.768 38 P CB 0.874 32.571 31.700 -0.004 0.000 0.838 39 A N 4.089 126.904 122.820 -0.008 0.000 1.948 39 A HA -0.239 4.082 4.320 0.002 0.000 0.220 39 A C 1.862 179.439 177.584 -0.012 0.000 1.177 39 A CA 1.612 53.643 52.037 -0.009 0.000 0.636 39 A CB -0.919 18.077 19.000 -0.007 0.000 0.815 39 A HN 0.681 nan 8.150 nan 0.000 0.449 40 E N 0.247 120.442 120.200 -0.010 0.000 2.085 40 E HA -0.166 4.185 4.350 0.002 0.000 0.194 40 E C 2.034 178.622 176.600 -0.020 0.000 0.994 40 E CA 1.621 58.015 56.400 -0.011 0.000 0.801 40 E CB -0.823 28.874 29.700 -0.006 0.000 0.743 40 E HN 0.493 nan 8.360 nan 0.000 0.453 41 S N 1.283 116.971 115.700 -0.020 0.000 2.368 41 S HA -0.024 4.447 4.470 0.002 0.000 0.224 41 S C 2.183 176.762 174.600 -0.035 0.000 1.029 41 S CA 0.831 59.013 58.200 -0.030 0.000 0.988 41 S CB -0.260 62.926 63.200 -0.023 0.000 0.838 41 S HN 0.207 nan 8.310 nan 0.000 0.462 42 I N 1.759 122.313 120.570 -0.027 0.000 2.127 42 I HA -0.252 3.919 4.170 0.002 0.000 0.241 42 I C 2.775 178.876 176.117 -0.028 0.000 1.075 42 I CA 1.262 62.546 61.300 -0.027 0.000 1.334 42 I CB -0.614 37.374 38.000 -0.020 0.000 1.040 42 I HN 0.274 nan 8.210 nan 0.000 0.405 43 A N 0.651 123.456 122.820 -0.024 0.000 1.883 43 A HA -0.284 4.037 4.320 0.002 0.000 0.217 43 A C 2.384 179.950 177.584 -0.030 0.000 1.186 43 A CA 2.057 54.081 52.037 -0.022 0.000 0.624 43 A CB -0.630 18.360 19.000 -0.016 0.000 0.822 43 A HN 0.359 nan 8.150 nan 0.000 0.444 44 K N -0.453 119.923 120.400 -0.040 0.000 2.209 44 K HA -0.078 4.243 4.320 0.002 0.000 0.204 44 K C 2.039 178.591 176.600 -0.080 0.000 1.048 44 K CA 1.080 57.331 56.287 -0.061 0.000 0.940 44 K CB -0.265 32.188 32.500 -0.077 0.000 0.729 44 K HN 0.418 nan 8.250 nan 0.000 0.451 45 A N 0.762 123.542 122.820 -0.066 0.000 1.872 45 A HA -0.189 4.132 4.320 0.002 0.000 0.214 45 A C 2.032 179.590 177.584 -0.044 0.000 1.187 45 A CA 1.389 53.388 52.037 -0.064 0.000 0.614 45 A CB -0.552 18.417 19.000 -0.051 0.000 0.826 45 A HN 0.460 nan 8.150 nan 0.000 0.442 46 Q N -0.325 119.456 119.800 -0.032 0.000 2.124 46 Q HA -0.235 4.106 4.340 0.002 0.000 0.202 46 Q C 1.991 177.978 176.000 -0.020 0.000 0.977 46 Q CA 2.081 57.872 55.803 -0.021 0.000 0.850 46 Q CB -0.104 28.624 28.738 -0.017 0.000 0.901 46 Q HN 0.518 nan 8.270 nan 0.000 0.429 47 K N 0.368 120.751 120.400 -0.027 0.000 1.971 47 K HA -0.185 4.136 4.320 0.002 0.000 0.221 47 K C 1.986 178.571 176.600 -0.024 0.000 1.050 47 K CA 2.384 58.658 56.287 -0.023 0.000 0.967 47 K CB -0.784 31.702 32.500 -0.024 0.000 0.733 47 K HN 0.320 nan 8.250 nan 0.000 0.445 48 S N 0.139 115.820 115.700 -0.032 0.000 2.423 48 S HA -0.250 4.221 4.470 0.002 0.000 0.238 48 S C 2.047 176.626 174.600 -0.035 0.000 1.028 48 S CA 1.481 59.669 58.200 -0.019 0.000 1.000 48 S CB -0.495 62.695 63.200 -0.017 0.000 0.797 48 S HN 0.372 nan 8.310 nan 0.000 0.487 49 R N 1.827 122.319 120.500 -0.014 0.000 2.075 49 R HA -0.010 4.331 4.340 0.002 0.000 0.232 49 R C 2.113 178.434 176.300 0.035 0.000 1.126 49 R CA 2.007 58.127 56.100 0.033 0.000 0.963 49 R CB -0.666 29.652 30.300 0.030 0.000 0.858 49 R HN 0.709 nan 8.270 nan 0.000 0.435 50 E N -0.148 120.042 120.200 -0.017 0.000 2.107 50 E HA -0.119 4.232 4.350 0.002 0.000 0.191 50 E C 2.075 178.613 176.600 -0.103 0.000 0.982 50 E CA 1.314 57.685 56.400 -0.047 0.000 0.809 50 E CB -0.187 29.492 29.700 -0.034 0.000 0.756 50 E HN 0.336 nan 8.360 nan 0.000 0.459 51 I N 1.129 121.636 120.570 -0.105 0.000 2.091 51 I HA -0.318 3.853 4.170 0.002 0.000 0.239 51 I C 2.472 178.396 176.117 -0.321 0.000 1.061 51 I CA 1.435 62.647 61.300 -0.147 0.000 1.317 51 I CB -0.450 37.493 38.000 -0.095 0.000 1.031 51 I HN 0.082 nan 8.210 nan 0.000 0.401 52 F N 2.092 121.623 119.950 -0.698 0.000 2.043 52 F HA -0.287 4.241 4.527 0.002 0.000 0.297 52 F C 2.476 178.031 175.800 -0.409 0.000 1.121 52 F CA 2.082 59.518 58.000 -0.940 0.000 1.199 52 F CB -0.615 37.835 39.000 -0.915 0.000 0.968 52 F HN 0.073 nan 8.300 nan 0.000 0.478 53 E N -0.118 119.697 120.200 -0.643 0.000 2.153 53 E HA -0.149 4.202 4.350 0.002 0.000 0.194 53 E C 2.410 178.768 176.600 -0.403 0.000 0.988 53 E CA 0.848 56.898 56.400 -0.583 0.000 0.811 53 E CB -0.749 28.838 29.700 -0.188 0.000 0.746 53 E HN 0.623 nan 8.360 nan 0.000 0.466 54 G N 0.613 109.241 108.800 -0.288 0.000 2.498 54 G HA2 -0.182 3.779 3.960 0.002 0.000 0.219 54 G HA3 -0.182 3.779 3.960 0.002 0.000 0.219 54 G C 1.431 176.211 174.900 -0.201 0.000 1.119 54 G CA 0.520 45.506 45.100 -0.189 0.000 0.766 54 G HN 0.168 nan 8.290 nan 0.000 0.552 55 I N -0.175 120.212 120.570 -0.305 0.000 3.300 55 I HA 0.170 4.342 4.170 0.002 0.000 0.279 55 I C 2.883 178.800 176.117 -0.334 0.000 1.172 55 I CA 0.580 61.734 61.300 -0.243 0.000 1.431 55 I CB -0.013 37.889 38.000 -0.163 0.000 1.240 55 I HN 0.099 nan 8.210 nan 0.000 0.453 56 A N 0.870 123.314 122.820 -0.627 0.000 2.125 56 A HA -0.144 4.177 4.320 0.002 0.000 0.219 56 A C 2.069 179.432 177.584 -0.368 0.000 1.156 56 A CA 1.184 52.812 52.037 -0.681 0.000 0.671 56 A CB -0.377 17.849 19.000 -1.291 0.000 0.794 56 A HN 0.309 nan 8.150 nan 0.000 0.459 57 E N 0.844 120.876 120.200 -0.279 0.000 2.021 57 E HA -0.187 4.165 4.350 0.002 0.000 0.200 57 E C 1.067 177.602 176.600 -0.108 0.000 1.015 57 E CA 0.981 57.294 56.400 -0.146 0.000 0.824 57 E CB -0.503 29.125 29.700 -0.119 0.000 0.762 57 E HN 0.839 nan 8.360 nan 0.000 0.454 58 Q N 0.272 120.005 119.800 -0.112 0.000 2.722 58 Q HA 0.019 4.360 4.340 0.002 0.000 0.214 58 Q C 0.652 176.601 176.000 -0.085 0.000 1.109 58 Q CA 0.077 55.834 55.803 -0.077 0.000 1.066 58 Q CB 0.129 28.827 28.738 -0.067 0.000 1.290 58 Q HN -0.002 nan 8.270 nan 0.000 0.620 59 N N -0.010 118.657 118.700 -0.055 0.000 2.279 59 N HA 0.118 4.859 4.740 0.002 0.000 0.226 59 N C -0.830 174.650 175.510 -0.049 0.000 1.126 59 N CA -0.222 52.799 53.050 -0.049 0.000 0.846 59 N CB -0.037 38.440 38.487 -0.016 0.000 1.050 59 N HN 0.414 nan 8.380 nan 0.000 0.502 60 I N -1.626 118.911 120.570 -0.055 0.000 2.813 60 I HA 0.303 4.474 4.170 0.002 0.000 0.287 60 I C -2.237 173.863 176.117 -0.029 0.000 1.196 60 I CA -1.988 59.292 61.300 -0.033 0.000 1.421 60 I CB -0.313 37.672 38.000 -0.024 0.000 1.365 60 I HN -0.053 nan 8.210 nan 0.000 0.591 61 P HA 0.441 nan 4.420 nan 0.000 0.271 61 P C -0.850 176.486 177.300 0.059 0.000 1.216 61 P CA 0.267 63.375 63.100 0.013 0.000 0.771 61 P CB 0.407 32.112 31.700 0.009 0.000 0.864 62 I N 2.312 122.935 120.570 0.089 0.000 2.710 62 I HA 0.223 4.394 4.170 0.002 0.000 0.290 62 I C -0.456 175.781 176.117 0.200 0.000 1.318 62 I CA -1.019 60.408 61.300 0.212 0.000 1.045 62 I CB 1.622 39.766 38.000 0.240 0.000 1.307 62 I HN 0.201 nan 8.210 nan 0.000 0.424 63 F N 4.917 124.985 119.950 0.197 0.000 2.518 63 F HA 0.469 4.998 4.527 0.002 0.000 0.359 63 F C 1.410 177.172 175.800 -0.063 0.000 1.118 63 F CA 1.130 59.159 58.000 0.048 0.000 1.287 63 F CB 0.822 39.906 39.000 0.141 0.000 1.132 63 F HN 0.774 nan 8.300 nan 0.000 0.587 64 G N 3.366 111.385 108.800 -1.301 0.000 2.205 64 G HA2 -0.306 3.655 3.960 0.002 0.000 0.269 64 G HA3 -0.306 3.655 3.960 0.002 0.000 0.269 64 G C 0.475 175.085 174.900 -0.483 0.000 0.977 64 G CA 0.870 45.196 45.100 -1.290 0.000 0.652 64 G HN 1.457 nan 8.290 nan 0.000 0.539 65 V N -0.841 118.912 119.914 -0.268 0.000 3.159 65 V HA 0.407 4.528 4.120 0.002 0.000 0.234 65 V C 1.823 177.899 176.094 -0.029 0.000 1.313 65 V CA 2.547 64.846 62.300 -0.002 0.000 1.271 65 V CB 0.698 32.545 31.823 0.039 0.000 1.053 65 V HN 0.989 nan 8.190 nan 0.000 0.476 66 T N -0.729 113.760 114.554 -0.108 0.000 3.252 66 T HA 0.423 4.774 4.350 0.002 0.000 0.286 66 T C 0.407 175.074 174.700 -0.054 0.000 1.013 66 T CA 0.506 62.559 62.100 -0.078 0.000 0.914 66 T CB -0.236 68.556 68.868 -0.127 0.000 1.131 66 T HN 0.805 nan 8.240 nan 0.000 0.529 67 T N -2.447 112.032 114.554 -0.126 0.000 2.696 67 T HA 0.778 5.130 4.350 0.002 0.000 0.291 67 T C 0.508 175.034 174.700 -0.291 0.000 1.095 67 T CA -0.402 61.620 62.100 -0.130 0.000 1.026 67 T CB 1.194 70.042 68.868 -0.033 0.000 1.390 67 T HN 0.252 nan 8.240 nan 0.000 0.513 68 G N -0.932 107.733 108.800 -0.226 0.000 2.588 68 G HA2 0.539 4.500 3.960 0.002 0.000 0.281 68 G HA3 0.539 4.500 3.960 0.002 0.000 0.281 68 G C -1.507 173.172 174.900 -0.369 0.000 1.236 68 G CA -0.706 44.239 45.100 -0.258 0.000 0.969 68 G HN 0.622 nan 8.290 nan 0.000 0.504 69 Y N -0.472 119.837 120.300 0.014 0.000 2.377 69 Y HA 0.522 5.073 4.550 0.002 0.000 0.339 69 Y C 1.021 177.004 175.900 0.138 0.000 1.011 69 Y CA 0.530 58.687 58.100 0.094 0.000 1.093 69 Y CB 1.784 40.220 38.460 -0.040 0.000 1.201 69 Y HN 1.196 nan 8.280 nan 0.000 0.455 70 G N 2.143 111.163 108.800 0.367 0.000 2.512 70 G HA2 -0.394 3.567 3.960 0.002 0.000 0.254 70 G HA3 -0.394 3.567 3.960 0.002 0.000 0.254 70 G C 0.894 175.827 174.900 0.056 0.000 1.199 70 G CA 0.467 45.668 45.100 0.169 0.000 0.941 70 G HN 0.667 nan 8.290 nan 0.000 0.569 71 E N 0.508 120.735 120.200 0.044 0.000 2.267 71 E HA 0.025 4.377 4.350 0.002 0.000 0.197 71 E C 2.415 178.973 176.600 -0.071 0.000 0.998 71 E CA 1.939 58.370 56.400 0.052 0.000 0.830 71 E CB -0.287 29.483 29.700 0.116 0.000 0.751 71 E HN 0.504 nan 8.360 nan 0.000 0.491 72 M N 0.241 119.691 119.600 -0.249 0.000 2.654 72 M HA 0.129 4.610 4.480 0.002 0.000 0.217 72 M C 1.476 177.407 176.300 -0.616 0.000 1.183 72 M CA 0.107 54.929 55.300 -0.798 0.000 0.991 72 M CB 0.013 32.369 32.600 -0.407 0.000 1.749 72 M HN 0.159 nan 8.290 nan 0.000 0.475 73 I N 0.445 120.846 120.570 -0.283 0.000 2.916 73 I HA -0.259 3.912 4.170 0.002 0.000 0.267 73 I C 1.711 177.785 176.117 -0.072 0.000 1.263 73 I CA 1.126 62.379 61.300 -0.078 0.000 1.471 73 I CB 0.050 38.033 38.000 -0.030 0.000 1.089 73 I HN 0.443 nan 8.210 nan 0.000 0.468 74 Y N -1.068 119.251 120.300 0.032 0.000 2.578 74 Y HA 0.228 4.779 4.550 0.001 0.000 0.297 74 Y C 0.779 176.693 175.900 0.023 0.000 1.176 74 Y CA -0.419 57.692 58.100 0.019 0.000 1.315 74 Y CB -0.505 37.964 38.460 0.014 0.000 1.031 74 Y HN -0.041 nan 8.280 nan 0.000 0.524 75 M N 3.001 122.543 119.600 -0.096 0.000 2.063 75 M HA 0.210 4.692 4.480 0.002 0.000 0.348 75 M C -0.758 175.542 176.300 -0.001 0.000 1.180 75 M CA -0.354 54.944 55.300 -0.004 0.000 1.059 75 M CB 1.069 33.608 32.600 -0.102 0.000 1.544 75 M HN 0.233 nan 8.290 nan 0.000 0.447 76 Q N 2.840 122.664 119.800 0.040 0.000 2.286 76 Q HA 0.497 4.838 4.340 0.002 0.000 0.257 76 Q C -0.531 175.484 176.000 0.025 0.000 0.941 76 Q CA -0.184 55.635 55.803 0.026 0.000 0.912 76 Q CB 1.534 30.293 28.738 0.036 0.000 1.192 76 Q HN 0.453 nan 8.270 nan 0.000 0.410 77 V N 2.461 122.386 119.914 0.018 0.000 2.588 77 V HA 0.214 4.335 4.120 0.002 0.000 0.304 77 V C 0.122 176.255 176.094 0.064 0.000 1.042 77 V CA -0.959 61.366 62.300 0.042 0.000 0.877 77 V CB 2.196 34.046 31.823 0.045 0.000 0.996 77 V HN 0.723 nan 8.190 nan 0.000 0.425 78 D N 2.860 123.306 120.400 0.076 0.000 2.358 78 D HA 0.172 4.813 4.640 0.002 0.000 0.244 78 D C 0.769 177.174 176.300 0.175 0.000 1.163 78 D CA -0.401 53.655 54.000 0.092 0.000 0.945 78 D CB 1.373 42.213 40.800 0.067 0.000 1.152 78 D HN 0.521 nan 8.370 nan 0.000 0.451 79 K N 0.574 121.105 120.400 0.218 0.000 2.555 79 K HA -0.010 4.311 4.320 0.002 0.000 0.193 79 K C 1.951 178.657 176.600 0.176 0.000 1.032 79 K CA 0.070 56.598 56.287 0.402 0.000 1.004 79 K CB 0.175 32.903 32.500 0.380 0.000 0.804 79 K HN 0.203 nan 8.250 nan 0.000 0.496 80 S N 1.691 117.452 115.700 0.101 0.000 2.359 80 S HA -0.100 4.372 4.470 0.002 0.000 0.222 80 S C 1.031 175.630 174.600 -0.001 0.000 1.038 80 S CA 1.380 59.604 58.200 0.040 0.000 1.051 80 S CB 0.002 63.223 63.200 0.035 0.000 0.944 80 S HN 0.224 nan 8.310 nan 0.000 0.433 81 K N 1.988 122.391 120.400 0.005 0.000 3.000 81 K HA 0.272 4.593 4.320 0.002 0.000 0.239 81 K C 0.872 177.424 176.600 -0.081 0.000 1.269 81 K CA -0.103 56.166 56.287 -0.030 0.000 1.220 81 K CB 0.298 32.797 32.500 -0.001 0.000 1.645 81 K HN 0.503 nan 8.250 nan 0.000 0.423 82 E N 0.710 120.780 120.200 -0.217 0.000 2.038 82 E HA -0.174 4.177 4.350 0.002 0.000 0.195 82 E C 1.254 177.639 176.600 -0.358 0.000 1.000 82 E CA 1.453 57.518 56.400 -0.559 0.000 0.803 82 E CB 0.277 29.336 29.700 -1.068 0.000 0.750 82 E HN 0.071 nan 8.360 nan 0.000 0.448 83 V N 1.311 121.074 119.914 -0.251 0.000 2.515 83 V HA -0.226 3.896 4.120 0.002 0.000 0.250 83 V C 2.432 178.467 176.094 -0.098 0.000 1.058 83 V CA 2.167 64.371 62.300 -0.159 0.000 1.064 83 V CB -0.598 31.151 31.823 -0.123 0.000 0.675 83 V HN 0.407 nan 8.190 nan 0.000 0.461 84 E N 0.138 120.292 120.200 -0.075 0.000 2.107 84 E HA -0.233 4.118 4.350 0.002 0.000 0.191 84 E C 2.184 178.774 176.600 -0.017 0.000 0.982 84 E CA 1.154 57.530 56.400 -0.040 0.000 0.809 84 E CB -0.130 29.556 29.700 -0.023 0.000 0.756 84 E HN 0.509 nan 8.360 nan 0.000 0.459 85 L N 0.991 122.217 121.223 0.005 0.000 2.046 85 L HA -0.234 4.108 4.340 0.002 0.000 0.208 85 L C 2.348 179.245 176.870 0.044 0.000 1.077 85 L CA 1.608 56.496 54.840 0.080 0.000 0.747 85 L CB -0.228 41.924 42.059 0.155 0.000 0.896 85 L HN 0.153 nan 8.230 nan 0.000 0.432 86 Q N -0.931 118.865 119.800 -0.007 0.000 2.084 86 Q HA -0.154 4.187 4.340 0.002 0.000 0.202 86 Q C 2.166 178.103 176.000 -0.104 0.000 0.978 86 Q CA 2.190 57.953 55.803 -0.066 0.000 0.844 86 Q CB -1.105 27.593 28.738 -0.066 0.000 0.898 86 Q HN 0.526 nan 8.270 nan 0.000 0.426 87 T N 1.942 116.450 114.554 -0.076 0.000 2.746 87 T HA -0.089 4.262 4.350 0.002 0.000 0.267 87 T C 1.602 176.258 174.700 -0.072 0.000 1.039 87 T CA 1.376 63.433 62.100 -0.072 0.000 1.142 87 T CB -0.199 68.636 68.868 -0.055 0.000 0.866 87 T HN 0.233 nan 8.240 nan 0.000 0.444 88 N N 1.118 119.784 118.700 -0.057 0.000 2.120 88 N HA -0.019 4.722 4.740 0.002 0.000 0.188 88 N C 1.645 177.107 175.510 -0.080 0.000 1.024 88 N CA 0.553 53.579 53.050 -0.040 0.000 0.852 88 N CB -0.598 37.889 38.487 -0.001 0.000 1.003 88 N HN 0.223 nan 8.380 nan 0.000 0.424 89 L N 0.418 121.522 121.223 -0.198 0.000 1.988 89 L HA -0.036 4.305 4.340 0.002 0.000 0.207 89 L C 1.893 178.592 176.870 -0.286 0.000 1.071 89 L CA 1.375 55.967 54.840 -0.415 0.000 0.744 89 L CB -0.748 40.809 42.059 -0.838 0.000 0.893 89 L HN -0.068 nan 8.230 nan 0.000 0.433 90 V N 0.145 119.923 119.914 -0.226 0.000 2.392 90 V HA -0.294 3.827 4.120 0.002 0.000 0.249 90 V C 2.747 178.787 176.094 -0.090 0.000 1.059 90 V CA 2.144 64.355 62.300 -0.149 0.000 1.051 90 V CB -0.719 31.029 31.823 -0.124 0.000 0.658 90 V HN 0.464 nan 8.190 nan 0.000 0.455 91 R N 0.579 121.035 120.500 -0.073 0.000 2.056 91 R HA -0.098 4.243 4.340 0.002 0.000 0.227 91 R C 2.639 178.927 176.300 -0.020 0.000 1.149 91 R CA 1.599 57.667 56.100 -0.054 0.000 0.937 91 R CB -0.762 29.512 30.300 -0.043 0.000 0.835 91 R HN 0.645 nan 8.270 nan 0.000 0.430 92 S N 0.380 116.094 115.700 0.024 0.000 2.440 92 S HA -0.180 4.291 4.470 0.002 0.000 0.240 92 S C 1.354 175.970 174.600 0.027 0.000 1.014 92 S CA 1.438 59.665 58.200 0.045 0.000 0.980 92 S CB -0.337 62.917 63.200 0.091 0.000 0.775 92 S HN 0.396 nan 8.310 nan 0.000 0.499 93 H N 0.556 119.570 119.070 -0.093 0.000 2.575 93 H HA 0.437 4.994 4.556 0.002 0.000 0.267 93 H C 0.365 175.660 175.328 -0.054 0.000 0.966 93 H CA 0.073 56.078 56.048 -0.073 0.000 1.165 93 H CB 0.203 29.904 29.762 -0.102 0.000 1.433 93 H HN 0.297 nan 8.280 nan 0.000 0.544 94 S N 1.132 116.818 115.700 -0.023 0.000 3.919 94 S HA 0.371 4.842 4.470 0.002 0.000 0.245 94 S C 0.677 175.262 174.600 -0.026 0.000 1.344 94 S CA 0.095 58.172 58.200 -0.204 0.000 0.896 94 S CB -0.273 62.629 63.200 -0.495 0.000 1.557 94 S HN 0.466 nan 8.310 nan 0.000 0.468 95 A N 2.028 124.929 122.820 0.136 0.000 2.749 95 A HA 0.580 4.902 4.320 0.002 0.000 0.299 95 A C 0.869 178.551 177.584 0.163 0.000 1.105 95 A CA -0.495 51.615 52.037 0.122 0.000 0.987 95 A CB 0.021 19.029 19.000 0.014 0.000 1.180 95 A HN 0.627 nan 8.150 nan 0.000 0.528 96 G N 0.019 109.017 108.800 0.330 0.000 2.467 96 G HA2 0.515 4.476 3.960 0.002 0.000 0.257 96 G HA3 0.515 4.476 3.960 0.002 0.000 0.257 96 G C 0.119 174.994 174.900 -0.043 0.000 1.227 96 G CA 0.486 45.615 45.100 0.047 0.000 0.835 96 G HN 1.199 nan 8.290 nan 0.000 0.556 97 V N -0.385 119.485 119.914 -0.073 0.000 3.156 97 V HA 1.037 5.158 4.120 0.002 0.000 0.311 97 V C 0.780 176.802 176.094 -0.121 0.000 1.208 97 V CA 0.113 62.363 62.300 -0.083 0.000 1.063 97 V CB 1.064 32.857 31.823 -0.050 0.000 1.098 97 V HN 2.490 nan 8.190 nan 0.000 0.452 98 G N 0.634 109.366 108.800 -0.113 0.000 2.660 98 G HA2 0.000 3.961 3.960 0.002 0.000 0.215 98 G HA3 0.000 3.961 3.960 0.002 0.000 0.215 98 G C -2.595 172.208 174.900 -0.161 0.000 1.345 98 G CA -0.218 44.803 45.100 -0.132 0.000 0.877 98 G HN 1.160 nan 8.290 nan 0.000 0.549 99 P HA 0.504 nan 4.420 nan 0.000 0.274 99 P C 0.118 177.273 177.300 -0.242 0.000 1.246 99 P CA -0.384 62.607 63.100 -0.181 0.000 0.795 99 P CB 0.598 32.200 31.700 -0.164 0.000 1.006 100 L N 0.995 122.111 121.223 -0.177 0.000 2.395 100 L HA 0.298 4.639 4.340 0.002 0.000 0.269 100 L C 1.040 177.839 176.870 -0.119 0.000 1.133 100 L CA -0.724 54.033 54.840 -0.139 0.000 0.812 100 L CB -0.082 41.939 42.059 -0.063 0.000 1.125 100 L HN 0.276 nan 8.230 nan 0.000 0.452 101 F N 0.984 120.909 119.950 -0.042 0.000 2.485 101 F HA 0.253 4.781 4.527 0.001 0.000 0.327 101 F C 1.027 176.818 175.800 -0.014 0.000 1.203 101 F CA -0.028 57.959 58.000 -0.023 0.000 1.295 101 F CB 0.643 39.633 39.000 -0.016 0.000 1.191 101 F HN 0.519 nan 8.300 nan 0.000 0.588 102 A N 1.723 124.681 122.820 0.230 0.000 2.313 102 A HA 0.190 4.511 4.320 0.002 0.000 0.261 102 A C 1.354 178.999 177.584 0.101 0.000 1.090 102 A CA -0.171 51.938 52.037 0.120 0.000 0.807 102 A CB 0.301 19.357 19.000 0.092 0.000 1.055 102 A HN 0.921 nan 8.150 nan 0.000 0.492 103 E N 0.407 120.645 120.200 0.062 0.000 2.048 103 E HA -0.316 4.035 4.350 0.002 0.000 0.202 103 E C 1.323 177.944 176.600 0.036 0.000 1.021 103 E CA 2.507 58.934 56.400 0.045 0.000 0.825 103 E CB -0.199 29.519 29.700 0.030 0.000 0.756 103 E HN 0.808 nan 8.360 nan 0.000 0.454 104 D N 0.027 120.447 120.400 0.033 0.000 2.178 104 D HA -0.218 4.423 4.640 0.002 0.000 0.201 104 D C 1.576 177.879 176.300 0.005 0.000 0.980 104 D CA 1.594 55.605 54.000 0.020 0.000 0.842 104 D CB -0.576 40.237 40.800 0.021 0.000 0.948 104 D HN 0.499 nan 8.370 nan 0.000 0.472 105 E N 0.462 120.672 120.200 0.018 0.000 2.072 105 E HA -0.034 4.317 4.350 0.002 0.000 0.191 105 E C 2.275 178.795 176.600 -0.135 0.000 0.985 105 E CA 1.112 57.484 56.400 -0.046 0.000 0.801 105 E CB -0.171 29.561 29.700 0.053 0.000 0.750 105 E HN 0.411 nan 8.360 nan 0.000 0.452 106 A N 1.434 124.225 122.820 -0.048 0.000 1.933 106 A HA -0.171 4.150 4.320 0.002 0.000 0.218 106 A C 2.051 179.614 177.584 -0.036 0.000 1.175 106 A CA 1.189 53.198 52.037 -0.047 0.000 0.628 106 A CB -0.327 18.700 19.000 0.043 0.000 0.814 106 A HN 0.060 nan 8.150 nan 0.000 0.444 107 R N -0.609 119.883 120.500 -0.013 0.000 2.115 107 R HA -0.017 4.325 4.340 0.002 0.000 0.230 107 R C 2.415 178.703 176.300 -0.020 0.000 1.111 107 R CA 1.055 57.155 56.100 -0.000 0.000 0.976 107 R CB -0.376 29.930 30.300 0.011 0.000 0.870 107 R HN 0.509 nan 8.270 nan 0.000 0.445 108 A N 1.080 123.874 122.820 -0.043 0.000 1.930 108 A HA -0.106 4.215 4.320 0.002 0.000 0.217 108 A C 2.087 179.630 177.584 -0.068 0.000 1.175 108 A CA 1.053 53.060 52.037 -0.050 0.000 0.627 108 A CB -0.359 18.605 19.000 -0.059 0.000 0.815 108 A HN 0.159 nan 8.150 nan 0.000 0.443 109 I N -0.565 119.940 120.570 -0.108 0.000 2.202 109 I HA -0.199 3.973 4.170 0.002 0.000 0.242 109 I C 2.336 178.419 176.117 -0.056 0.000 1.091 109 I CA 1.067 62.299 61.300 -0.114 0.000 1.368 109 I CB -0.375 37.515 38.000 -0.184 0.000 1.058 109 I HN 0.137 nan 8.210 nan 0.000 0.410 110 V N 1.180 121.074 119.914 -0.033 0.000 2.332 110 V HA -0.325 3.796 4.120 0.002 0.000 0.248 110 V C 2.709 178.796 176.094 -0.011 0.000 1.055 110 V CA 2.094 64.390 62.300 -0.007 0.000 1.038 110 V CB -1.017 30.823 31.823 0.027 0.000 0.651 110 V HN 0.511 nan 8.190 nan 0.000 0.450 111 A N -0.176 122.637 122.820 -0.011 0.000 1.898 111 A HA -0.070 4.252 4.320 0.002 0.000 0.216 111 A C 2.422 179.999 177.584 -0.012 0.000 1.181 111 A CA 1.921 53.953 52.037 -0.009 0.000 0.620 111 A CB -0.719 18.277 19.000 -0.005 0.000 0.819 111 A HN 0.570 nan 8.150 nan 0.000 0.442 112 A N -0.419 122.390 122.820 -0.019 0.000 1.933 112 A HA -0.141 4.180 4.320 0.002 0.000 0.218 112 A C 2.192 179.769 177.584 -0.011 0.000 1.175 112 A CA 2.030 54.058 52.037 -0.015 0.000 0.628 112 A CB -0.392 18.593 19.000 -0.024 0.000 0.814 112 A HN 0.437 nan 8.150 nan 0.000 0.444 113 R N -0.712 119.779 120.500 -0.016 0.000 2.073 113 R HA -0.028 4.313 4.340 0.002 0.000 0.229 113 R C 1.924 178.214 176.300 -0.017 0.000 1.120 113 R CA 1.363 57.454 56.100 -0.014 0.000 0.967 113 R CB -0.728 29.561 30.300 -0.019 0.000 0.862 113 R HN 0.449 nan 8.270 nan 0.000 0.436 114 L N 0.744 121.955 121.223 -0.021 0.000 2.017 114 L HA -0.116 4.225 4.340 0.002 0.000 0.208 114 L C 1.716 178.577 176.870 -0.015 0.000 1.073 114 L CA 2.117 56.943 54.840 -0.024 0.000 0.745 114 L CB -1.016 41.029 42.059 -0.024 0.000 0.894 114 L HN 0.236 nan 8.230 nan 0.000 0.432 115 N N -1.367 117.329 118.700 -0.008 0.000 2.149 115 N HA -0.193 4.548 4.740 0.002 0.000 0.188 115 N C 1.664 177.178 175.510 0.007 0.000 1.019 115 N CA 1.939 54.989 53.050 0.000 0.000 0.857 115 N CB -0.212 38.277 38.487 0.004 0.000 0.997 115 N HN 0.468 nan 8.380 nan 0.000 0.426 116 T N 0.539 115.098 114.554 0.007 0.000 2.708 116 T HA -0.059 4.292 4.350 0.002 0.000 0.266 116 T C 1.828 176.538 174.700 0.016 0.000 1.037 116 T CA 1.009 63.120 62.100 0.018 0.000 1.146 116 T CB -0.275 68.603 68.868 0.017 0.000 0.865 116 T HN 0.189 nan 8.240 nan 0.000 0.435 117 L N 0.773 121.995 121.223 -0.002 0.000 2.141 117 L HA 0.018 4.359 4.340 0.002 0.000 0.209 117 L C 2.813 179.668 176.870 -0.024 0.000 1.094 117 L CA 0.905 55.736 54.840 -0.015 0.000 0.763 117 L CB -0.623 41.419 42.059 -0.029 0.000 0.908 117 L HN 0.227 nan 8.230 nan 0.000 0.437 118 A N -0.448 122.361 122.820 -0.019 0.000 2.239 118 A HA -0.133 4.188 4.320 0.002 0.000 0.209 118 A C 2.292 179.861 177.584 -0.025 0.000 1.171 118 A CA 0.782 52.804 52.037 -0.025 0.000 0.768 118 A CB -0.331 18.659 19.000 -0.016 0.000 0.790 118 A HN 0.280 nan 8.150 nan 0.000 0.478 119 K N -1.036 119.361 120.400 -0.004 0.000 2.217 119 K HA 0.068 4.389 4.320 0.002 0.000 0.202 119 K C 1.201 177.723 176.600 -0.130 0.000 1.051 119 K CA 0.965 57.265 56.287 0.022 0.000 0.952 119 K CB -0.150 32.433 32.500 0.140 0.000 0.736 119 K HN 0.661 nan 8.250 nan 0.000 0.453 120 G N 0.335 109.027 108.800 -0.180 0.000 2.179 120 G HA2 -0.185 3.776 3.960 0.002 0.000 0.220 120 G HA3 -0.185 3.776 3.960 0.002 0.000 0.220 120 G C -0.055 174.557 174.900 -0.480 0.000 0.990 120 G CA 0.324 45.221 45.100 -0.338 0.000 0.646 120 G HN 0.516 nan 8.290 nan 0.000 0.517 121 H N 0.004 119.015 119.070 -0.099 0.000 2.486 121 H HA 0.518 5.075 4.556 0.002 0.000 0.284 121 H C 1.858 177.105 175.328 -0.135 0.000 1.103 121 H CA 0.612 56.532 56.048 -0.212 0.000 1.089 121 H CB 0.900 30.382 29.762 -0.467 0.000 1.603 121 H HN 0.247 nan 8.280 nan 0.000 0.557 122 S N 0.492 116.200 115.700 0.014 0.000 2.517 122 S HA 0.295 4.766 4.470 0.002 0.000 0.214 122 S C 1.412 176.038 174.600 0.042 0.000 0.991 122 S CA 0.461 58.671 58.200 0.017 0.000 0.906 122 S CB 0.319 63.514 63.200 -0.010 0.000 0.789 122 S HN 0.636 nan 8.310 nan 0.000 0.513 123 A N 0.771 123.626 122.820 0.059 0.000 2.914 123 A HA -0.125 4.196 4.320 0.002 0.000 0.280 123 A C 0.161 177.679 177.584 -0.111 0.000 1.447 123 A CA 0.259 52.292 52.037 -0.005 0.000 0.759 123 A CB -2.218 16.794 19.000 0.020 0.000 1.034 123 A HN 0.299 nan 8.150 nan 0.000 0.529 124 V N 0.587 120.462 119.914 -0.065 0.000 2.630 124 V HA 0.451 4.572 4.120 0.002 0.000 0.305 124 V C 1.144 177.216 176.094 -0.037 0.000 1.046 124 V CA -0.767 61.494 62.300 -0.065 0.000 0.934 124 V CB 1.677 33.464 31.823 -0.061 0.000 1.003 124 V HN 0.638 nan 8.190 nan 0.000 0.451 125 R N 4.367 124.851 120.500 -0.027 0.000 2.543 125 R HA 0.158 4.499 4.340 0.002 0.000 0.277 125 R C -1.710 174.572 176.300 -0.030 0.000 1.074 125 R CA -1.199 54.891 56.100 -0.016 0.000 1.076 125 R CB 0.337 30.631 30.300 -0.010 0.000 0.993 125 R HN 0.466 nan 8.270 nan 0.000 0.459 126 P HA -0.203 nan 4.420 nan 0.000 0.218 126 P C 1.069 178.347 177.300 -0.037 0.000 1.146 126 P CA 0.897 63.978 63.100 -0.031 0.000 0.813 126 P CB 0.089 31.774 31.700 -0.024 0.000 0.778 127 I N -0.911 119.637 120.570 -0.036 0.000 2.335 127 I HA -0.221 3.950 4.170 0.002 0.000 0.251 127 I C 1.731 177.808 176.117 -0.066 0.000 1.129 127 I CA 1.500 62.774 61.300 -0.044 0.000 1.402 127 I CB -0.696 37.281 38.000 -0.038 0.000 1.069 127 I HN -0.176 nan 8.210 nan 0.000 0.424 128 I N -0.134 120.395 120.570 -0.068 0.000 2.127 128 I HA -0.280 3.891 4.170 0.002 0.000 0.241 128 I C 2.445 178.503 176.117 -0.098 0.000 1.075 128 I CA 1.499 62.745 61.300 -0.090 0.000 1.334 128 I CB -1.482 36.471 38.000 -0.077 0.000 1.040 128 I HN 0.222 nan 8.210 nan 0.000 0.405 129 L N 0.611 121.791 121.223 -0.072 0.000 2.017 129 L HA -0.185 4.156 4.340 0.002 0.000 0.208 129 L C 2.496 179.327 176.870 -0.066 0.000 1.073 129 L CA 1.651 56.452 54.840 -0.064 0.000 0.745 129 L CB -0.968 41.063 42.059 -0.047 0.000 0.894 129 L HN 0.279 nan 8.230 nan 0.000 0.432 130 E N -0.923 119.242 120.200 -0.058 0.000 2.077 130 E HA -0.256 4.095 4.350 0.002 0.000 0.193 130 E C 2.319 178.879 176.600 -0.067 0.000 0.989 130 E CA 0.885 57.257 56.400 -0.048 0.000 0.800 130 E CB -0.106 29.573 29.700 -0.035 0.000 0.746 130 E HN 0.184 nan 8.360 nan 0.000 0.452 131 R N 1.271 121.703 120.500 -0.113 0.000 2.075 131 R HA -0.061 4.281 4.340 0.002 0.000 0.232 131 R C 2.131 178.242 176.300 -0.315 0.000 1.126 131 R CA 1.127 57.111 56.100 -0.194 0.000 0.963 131 R CB -0.682 29.469 30.300 -0.249 0.000 0.858 131 R HN 0.155 nan 8.270 nan 0.000 0.435 132 L N -0.157 120.901 121.223 -0.275 0.000 2.012 132 L HA -0.166 4.175 4.340 0.002 0.000 0.210 132 L C 2.384 179.201 176.870 -0.088 0.000 1.073 132 L CA 1.622 56.322 54.840 -0.234 0.000 0.748 132 L CB -0.637 41.338 42.059 -0.140 0.000 0.891 132 L HN 0.327 nan 8.230 nan 0.000 0.431 133 A N -0.920 121.868 122.820 -0.054 0.000 2.019 133 A HA -0.268 4.053 4.320 0.002 0.000 0.219 133 A C 2.223 179.828 177.584 0.035 0.000 1.164 133 A CA 1.741 53.775 52.037 -0.005 0.000 0.644 133 A CB -0.462 18.532 19.000 -0.011 0.000 0.805 133 A HN 0.524 nan 8.150 nan 0.000 0.449 134 Q N -1.796 118.031 119.800 0.045 0.000 2.083 134 Q HA -0.177 4.164 4.340 0.002 0.000 0.198 134 Q C 1.773 177.908 176.000 0.225 0.000 0.969 134 Q CA 1.450 57.322 55.803 0.114 0.000 0.838 134 Q CB -0.260 28.552 28.738 0.124 0.000 0.900 134 Q HN 0.667 nan 8.270 nan 0.000 0.436 135 Y N 0.818 121.116 120.300 -0.003 0.000 2.128 135 Y HA -0.263 4.288 4.550 0.002 0.000 0.284 135 Y C 2.109 178.009 175.900 0.001 0.000 1.154 135 Y CA 1.090 59.190 58.100 0.000 0.000 1.149 135 Y CB -0.712 37.749 38.460 0.001 0.000 0.976 135 Y HN 0.155 nan 8.280 nan 0.000 0.505 136 L N -0.290 121.037 121.223 0.172 0.000 1.989 136 L HA -0.286 4.056 4.340 0.002 0.000 0.211 136 L C 2.000 178.907 176.870 0.062 0.000 1.071 136 L CA 1.895 56.788 54.840 0.089 0.000 0.749 136 L CB -0.711 41.383 42.059 0.059 0.000 0.890 136 L HN 0.275 nan 8.230 nan 0.000 0.431 137 N N -0.727 118.009 118.700 0.061 0.000 2.309 137 N HA -0.200 4.542 4.740 0.002 0.000 0.182 137 N C 1.490 177.021 175.510 0.035 0.000 1.018 137 N CA 0.634 53.709 53.050 0.042 0.000 0.876 137 N CB 0.096 38.605 38.487 0.038 0.000 0.972 137 N HN 0.227 nan 8.380 nan 0.000 0.434 138 E N -0.406 119.822 120.200 0.045 0.000 2.474 138 E HA 0.124 4.475 4.350 0.002 0.000 0.194 138 E C 0.749 177.345 176.600 -0.007 0.000 1.041 138 E CA 0.108 56.519 56.400 0.019 0.000 0.874 138 E CB 0.255 29.968 29.700 0.022 0.000 0.914 138 E HN 0.326 nan 8.360 nan 0.000 0.498 139 G N 1.294 110.094 108.800 0.001 0.000 2.147 139 G HA2 -0.299 3.662 3.960 0.002 0.000 0.244 139 G HA3 -0.299 3.662 3.960 0.002 0.000 0.244 139 G C 0.208 175.081 174.900 -0.045 0.000 1.005 139 G CA 0.332 45.424 45.100 -0.012 0.000 0.713 139 G HN 0.384 nan 8.290 nan 0.000 0.515 140 I N 1.858 122.374 120.570 -0.090 0.000 2.291 140 I HA 0.542 4.713 4.170 0.002 0.000 0.290 140 I C -0.125 175.924 176.117 -0.114 0.000 1.050 140 I CA -0.362 60.823 61.300 -0.192 0.000 1.245 140 I CB 0.626 38.334 38.000 -0.486 0.000 1.405 140 I HN 0.021 nan 8.210 nan 0.000 0.478 141 T N 8.361 122.888 114.554 -0.046 0.000 2.767 141 T HA 0.426 4.778 4.350 0.002 0.000 0.284 141 T C -2.455 172.269 174.700 0.040 0.000 0.973 141 T CA -1.190 60.921 62.100 0.018 0.000 0.996 141 T CB 1.278 70.161 68.868 0.026 0.000 0.927 141 T HN 0.425 nan 8.240 nan 0.000 0.456 142 P HA 0.311 nan 4.420 nan 0.000 0.272 142 P C -0.973 176.400 177.300 0.122 0.000 1.223 142 P CA -0.491 62.681 63.100 0.121 0.000 0.784 142 P CB 0.430 32.221 31.700 0.153 0.000 0.923 143 A N 3.883 126.794 122.820 0.150 0.000 2.391 143 A HA 0.385 4.706 4.320 0.002 0.000 0.316 143 A C -0.055 177.599 177.584 0.117 0.000 1.381 143 A CA -0.352 51.759 52.037 0.123 0.000 0.998 143 A CB -0.914 18.164 19.000 0.130 0.000 1.147 143 A HN 0.452 nan 8.150 nan 0.000 0.545 144 I N 5.472 126.114 120.570 0.120 0.000 2.328 144 I HA 0.276 4.447 4.170 0.002 0.000 0.287 144 I C -2.090 174.065 176.117 0.063 0.000 1.012 144 I CA -2.213 59.164 61.300 0.128 0.000 1.195 144 I CB 1.836 39.992 38.000 0.259 0.000 1.350 144 I HN 0.434 nan 8.210 nan 0.000 0.464 145 P HA 0.107 nan 4.420 nan 0.000 0.271 145 P C 0.063 177.230 177.300 -0.222 0.000 1.216 145 P CA -0.074 62.871 63.100 -0.258 0.000 0.776 145 P CB 1.194 32.674 31.700 -0.365 0.000 0.881 146 E N 1.128 121.053 120.200 -0.458 0.000 2.150 146 E HA -0.038 4.313 4.350 0.002 0.000 0.193 146 E C 0.705 177.186 176.600 -0.199 0.000 0.985 146 E CA 0.772 56.793 56.400 -0.632 0.000 0.814 146 E CB 0.051 29.238 29.700 -0.855 0.000 0.752 146 E HN 0.426 nan 8.360 nan 0.000 0.466 147 I N -0.630 119.853 120.570 -0.147 0.000 2.566 147 I HA 0.261 4.432 4.170 0.002 0.000 0.303 147 I C 1.244 177.347 176.117 -0.025 0.000 0.983 147 I CA 0.229 61.489 61.300 -0.066 0.000 1.235 147 I CB 1.203 39.160 38.000 -0.070 0.000 1.386 147 I HN 0.248 nan 8.210 nan 0.000 0.494 148 G N 3.469 112.269 108.800 0.000 0.000 2.905 148 G HA2 -0.191 3.770 3.960 0.002 0.000 0.196 148 G HA3 -0.191 3.770 3.960 0.002 0.000 0.196 148 G C 0.386 175.301 174.900 0.026 0.000 1.044 148 G CA 0.138 45.247 45.100 0.015 0.000 0.778 148 G HN 0.679 nan 8.290 nan 0.000 0.474 149 S N 0.647 116.371 115.700 0.040 0.000 2.549 149 S HA 0.541 5.012 4.470 0.002 0.000 0.279 149 S C 1.242 175.851 174.600 0.015 0.000 1.321 149 S CA -0.221 58.001 58.200 0.036 0.000 1.054 149 S CB 0.653 63.884 63.200 0.052 0.000 0.899 149 S HN 0.448 nan 8.310 nan 0.000 0.497 150 L N 4.515 125.738 121.223 -0.000 0.000 2.700 150 L HA 0.340 4.681 4.340 0.002 0.000 0.234 150 L C 1.410 178.252 176.870 -0.046 0.000 1.156 150 L CA 0.078 54.908 54.840 -0.017 0.000 0.946 150 L CB -1.028 41.020 42.059 -0.018 0.000 1.216 150 L HN 1.068 nan 8.230 nan 0.000 0.493 156 L N 0.553 121.801 121.223 0.041 0.000 1.956 156 L HA -0.210 4.131 4.340 0.002 0.000 0.216 156 L C 2.679 179.610 176.870 0.101 0.000 1.073 156 L CA 2.253 57.132 54.840 0.064 0.000 0.762 156 L CB -0.437 41.687 42.059 0.108 0.000 0.889 156 L HN 0.247 nan 8.230 nan 0.000 0.433 157 A N 0.414 123.303 122.820 0.114 0.000 1.851 157 A HA -0.155 4.166 4.320 0.002 0.000 0.216 157 A C 0.122 177.848 177.584 0.236 0.000 1.195 157 A CA 2.249 54.385 52.037 0.164 0.000 0.622 157 A CB -2.060 17.016 19.000 0.127 0.000 0.831 157 A HN 0.357 nan 8.150 nan 0.000 0.444 158 P HA -0.142 nan 4.420 nan 0.000 0.215 158 P C 1.531 178.928 177.300 0.162 0.000 1.153 158 P CA 1.137 64.343 63.100 0.176 0.000 0.853 158 P CB -0.240 31.558 31.700 0.163 0.000 0.788 159 L N -0.661 120.624 121.223 0.103 0.000 2.201 159 L HA -0.070 4.271 4.340 0.002 0.000 0.212 159 L C 2.665 179.574 176.870 0.066 0.000 1.105 159 L CA 1.126 56.005 54.840 0.064 0.000 0.775 159 L CB -0.943 41.133 42.059 0.028 0.000 0.913 159 L HN -0.014 nan 8.230 nan 0.000 0.440 160 S N -1.207 114.544 115.700 0.085 0.000 2.402 160 S HA -0.174 4.297 4.470 0.002 0.000 0.229 160 S C 1.815 176.426 174.600 0.018 0.000 1.021 160 S CA 0.996 59.215 58.200 0.032 0.000 0.974 160 S CB -0.234 62.992 63.200 0.042 0.000 0.800 160 S HN 0.486 nan 8.310 nan 0.000 0.484 161 H N 0.162 119.267 119.070 0.058 0.000 2.389 161 H HA 0.067 4.624 4.556 0.002 0.000 0.299 161 H C 2.031 177.406 175.328 0.078 0.000 1.081 161 H CA 1.256 57.352 56.048 0.080 0.000 1.345 161 H CB -0.179 29.643 29.762 0.099 0.000 1.393 161 H HN 0.130 nan 8.280 nan 0.000 0.520 162 V N 0.364 120.382 119.914 0.174 0.000 2.307 162 V HA -0.242 3.879 4.120 0.002 0.000 0.245 162 V C 2.548 178.684 176.094 0.071 0.000 1.045 162 V CA 1.555 63.928 62.300 0.121 0.000 1.024 162 V CB -0.952 30.920 31.823 0.082 0.000 0.651 162 V HN 0.579 nan 8.190 nan 0.000 0.449 163 A N -0.269 122.567 122.820 0.026 0.000 1.917 163 A HA -0.264 4.057 4.320 0.002 0.000 0.219 163 A C 2.481 180.056 177.584 -0.014 0.000 1.182 163 A CA 2.467 54.493 52.037 -0.018 0.000 0.633 163 A CB -0.868 18.102 19.000 -0.050 0.000 0.819 163 A HN 0.516 nan 8.150 nan 0.000 0.448 164 S N -0.332 115.360 115.700 -0.013 0.000 2.374 164 S HA -0.197 4.274 4.470 0.002 0.000 0.227 164 S C 2.169 176.781 174.600 0.021 0.000 1.037 164 S CA 2.071 60.258 58.200 -0.021 0.000 1.024 164 S CB -0.804 62.365 63.200 -0.051 0.000 0.861 164 S HN 0.932 nan 8.310 nan 0.000 0.456 165 T N 0.508 115.111 114.554 0.082 0.000 2.962 165 T HA 0.104 4.455 4.350 0.002 0.000 0.270 165 T C 1.588 176.420 174.700 0.220 0.000 1.088 165 T CA 0.682 62.873 62.100 0.151 0.000 1.127 165 T CB -0.444 68.563 68.868 0.232 0.000 0.883 165 T HN 0.293 nan 8.240 nan 0.000 0.493 166 L N 0.733 122.021 121.223 0.108 0.000 2.240 166 L HA 0.307 4.648 4.340 0.002 0.000 0.211 166 L C 2.215 179.095 176.870 0.017 0.000 1.106 166 L CA 0.839 55.686 54.840 0.012 0.000 0.793 166 L CB -0.305 41.683 42.059 -0.117 0.000 0.927 166 L HN 0.451 nan 8.230 nan 0.000 0.446 167 I N -3.252 117.321 120.570 0.005 0.000 3.858 167 I HA 0.385 4.556 4.170 0.002 0.000 0.325 167 I C 1.098 177.211 176.117 -0.006 0.000 1.403 167 I CA 0.234 61.526 61.300 -0.013 0.000 1.169 167 I CB -0.379 37.599 38.000 -0.036 0.000 1.077 167 I HN 0.172 nan 8.210 nan 0.000 0.403 168 G N 1.095 109.908 108.800 0.022 0.000 2.179 168 G HA2 -0.270 3.691 3.960 0.002 0.000 0.257 168 G HA3 -0.270 3.691 3.960 0.002 0.000 0.257 168 G C -0.072 174.804 174.900 -0.039 0.000 1.010 168 G CA 0.617 45.718 45.100 0.002 0.000 0.736 168 G HN 0.679 nan 8.290 nan 0.000 0.513 169 E N -1.381 118.793 120.200 -0.044 0.000 2.450 169 E HA 0.653 5.004 4.350 0.002 0.000 0.248 169 E C 1.143 177.682 176.600 -0.102 0.000 0.930 169 E CA -0.484 55.862 56.400 -0.090 0.000 0.854 169 E CB 1.178 30.831 29.700 -0.078 0.000 1.355 169 E HN 1.252 nan 8.360 nan 0.000 0.402 170 G N -0.458 108.252 108.800 -0.151 0.000 2.552 170 G HA2 -0.280 3.681 3.960 0.002 0.000 0.265 170 G HA3 -0.280 3.681 3.960 0.002 0.000 0.265 170 G C -1.138 173.607 174.900 -0.259 0.000 1.234 170 G CA 0.237 45.294 45.100 -0.071 0.000 0.944 170 G HN 0.372 nan 8.290 nan 0.000 0.568 171 Y N -1.303 119.041 120.300 0.073 0.000 2.562 171 Y HA 0.603 5.154 4.550 0.002 0.000 0.345 171 Y C 0.530 176.463 175.900 0.055 0.000 1.045 171 Y CA -0.385 57.749 58.100 0.058 0.000 1.028 171 Y CB 2.097 40.595 38.460 0.063 0.000 1.297 171 Y HN 1.080 nan 8.280 nan 0.000 0.463 172 V N 0.249 120.273 119.914 0.183 0.000 2.815 172 V HA 0.679 4.800 4.120 0.002 0.000 0.314 172 V C -1.133 175.015 176.094 0.089 0.000 1.064 172 V CA -1.148 61.209 62.300 0.095 0.000 0.952 172 V CB 1.953 33.776 31.823 0.000 0.000 1.020 172 V HN 0.627 nan 8.190 nan 0.000 0.439 173 L N 3.799 125.058 121.223 0.060 0.000 2.325 173 L HA 0.549 4.891 4.340 0.002 0.000 0.284 173 L C 0.252 177.137 176.870 0.025 0.000 1.089 173 L CA 0.402 55.270 54.840 0.046 0.000 0.836 173 L CB 0.139 42.226 42.059 0.046 0.000 1.184 173 L HN 0.845 nan 8.230 nan 0.000 0.444 174 R N 4.125 124.639 120.500 0.024 0.000 2.435 174 R HA 0.239 4.580 4.340 0.002 0.000 0.308 174 R C -0.854 175.452 176.300 0.010 0.000 0.975 174 R CA -0.539 55.568 56.100 0.012 0.000 0.867 174 R CB 0.782 31.089 30.300 0.010 0.000 1.171 174 R HN 0.674 nan 8.270 nan 0.000 0.470 175 D N 3.206 123.610 120.400 0.007 0.000 2.689 175 D HA -0.192 4.449 4.640 0.002 0.000 0.237 175 D C 0.812 177.115 176.300 0.005 0.000 1.148 175 D CA 1.791 55.794 54.000 0.005 0.000 0.656 175 D CB -0.764 40.038 40.800 0.003 0.000 1.050 175 D HN 1.100 nan 8.370 nan 0.000 0.426 176 G N -0.491 108.314 108.800 0.007 0.000 2.245 176 G HA2 -0.385 3.576 3.960 0.002 0.000 0.264 176 G HA3 -0.385 3.576 3.960 0.002 0.000 0.264 176 G C 0.481 175.379 174.900 -0.002 0.000 0.985 176 G CA 0.780 45.883 45.100 0.004 0.000 0.625 176 G HN 0.547 nan 8.290 nan 0.000 0.536 177 R N 0.895 121.397 120.500 0.003 0.000 2.732 177 R HA 0.543 4.885 4.340 0.002 0.000 0.278 177 R C -2.589 173.720 176.300 0.015 0.000 0.976 177 R CA -1.859 54.241 56.100 -0.001 0.000 0.963 177 R CB 2.188 32.490 30.300 0.002 0.000 1.150 177 R HN 0.107 nan 8.270 nan 0.000 0.478 178 P HA 0.111 nan 4.420 nan 0.000 0.286 178 P C -0.895 176.502 177.300 0.162 0.000 1.269 178 P CA -0.344 62.788 63.100 0.053 0.000 0.787 178 P CB 1.371 33.002 31.700 -0.115 0.000 0.920 179 V N 0.105 120.149 119.914 0.216 0.000 2.588 179 V HA 0.430 4.552 4.120 0.002 0.000 0.304 179 V C 0.049 176.238 176.094 0.159 0.000 1.042 179 V CA -1.174 61.235 62.300 0.182 0.000 0.877 179 V CB 1.579 33.447 31.823 0.075 0.000 0.996 179 V HN 0.404 nan 8.190 nan 0.000 0.425 180 E N 2.608 122.837 120.200 0.048 0.000 2.608 180 E HA -0.022 4.329 4.350 0.002 0.000 0.259 180 E C 0.854 177.376 176.600 -0.130 0.000 0.951 180 E CA 0.744 57.009 56.400 -0.225 0.000 0.945 180 E CB 0.818 30.385 29.700 -0.222 0.000 0.916 180 E HN 0.862 nan 8.360 nan 0.000 0.477 181 T N 2.731 117.192 114.554 -0.155 0.000 2.788 181 T HA -0.208 4.143 4.350 0.002 0.000 0.268 181 T C 1.844 176.499 174.700 -0.075 0.000 1.044 181 T CA 1.176 63.226 62.100 -0.083 0.000 1.139 181 T CB -0.035 68.801 68.868 -0.052 0.000 0.867 181 T HN 0.624 nan 8.240 nan 0.000 0.454 182 A N 1.621 124.385 122.820 -0.093 0.000 1.892 182 A HA -0.274 4.047 4.320 0.002 0.000 0.218 182 A C 2.308 179.861 177.584 -0.051 0.000 1.188 182 A CA 1.956 53.953 52.037 -0.067 0.000 0.631 182 A CB -0.749 18.205 19.000 -0.076 0.000 0.822 182 A HN 0.568 nan 8.150 nan 0.000 0.447 183 Q N -0.730 119.039 119.800 -0.053 0.000 2.016 183 Q HA -0.103 4.238 4.340 0.002 0.000 0.200 183 Q C 2.187 178.165 176.000 -0.037 0.000 0.978 183 Q CA 1.683 57.463 55.803 -0.038 0.000 0.833 183 Q CB -0.396 28.324 28.738 -0.030 0.000 0.895 183 Q HN 0.490 nan 8.270 nan 0.000 0.427 184 V N 1.372 121.259 119.914 -0.045 0.000 2.324 184 V HA -0.292 3.829 4.120 0.002 0.000 0.250 184 V C 2.192 178.250 176.094 -0.061 0.000 1.060 184 V CA 1.671 63.938 62.300 -0.055 0.000 1.042 184 V CB -0.645 31.134 31.823 -0.074 0.000 0.650 184 V HN 0.334 nan 8.190 nan 0.000 0.450 185 L N -0.001 121.189 121.223 -0.056 0.000 2.007 185 L HA -0.067 4.274 4.340 0.002 0.000 0.205 185 L C 2.795 179.652 176.870 -0.022 0.000 1.073 185 L CA 1.519 56.336 54.840 -0.038 0.000 0.744 185 L CB -0.960 41.092 42.059 -0.011 0.000 0.898 185 L HN 0.333 nan 8.230 nan 0.000 0.435 186 A N -0.190 122.618 122.820 -0.021 0.000 2.032 186 A HA -0.281 4.040 4.320 0.002 0.000 0.221 186 A C 2.165 179.739 177.584 -0.017 0.000 1.165 186 A CA 2.041 54.068 52.037 -0.016 0.000 0.645 186 A CB -0.547 18.442 19.000 -0.018 0.000 0.807 186 A HN 0.535 nan 8.150 nan 0.000 0.453 187 E N 0.352 120.539 120.200 -0.022 0.000 1.998 187 E HA -0.192 4.159 4.350 0.002 0.000 0.196 187 E C 1.754 178.343 176.600 -0.019 0.000 1.003 187 E CA 1.160 57.547 56.400 -0.021 0.000 0.829 187 E CB -0.222 29.462 29.700 -0.026 0.000 0.777 187 E HN 0.669 nan 8.360 nan 0.000 0.460 188 R N 0.304 120.789 120.500 -0.025 0.000 2.535 188 R HA 0.124 4.465 4.340 0.002 0.000 0.233 188 R C 0.493 176.787 176.300 -0.010 0.000 1.202 188 R CA 0.589 56.677 56.100 -0.020 0.000 1.205 188 R CB -0.614 29.669 30.300 -0.029 0.000 1.153 188 R HN 0.298 nan 8.270 nan 0.000 0.512 189 G N 1.733 110.528 108.800 -0.008 0.000 2.372 189 G HA2 -0.256 3.705 3.960 0.002 0.000 0.297 189 G HA3 -0.256 3.705 3.960 0.002 0.000 0.297 189 G C -0.206 174.697 174.900 0.007 0.000 1.005 189 G CA 0.198 45.297 45.100 -0.002 0.000 1.173 189 G HN 0.510 nan 8.290 nan 0.000 0.511 190 I N 0.016 120.593 120.570 0.011 0.000 2.447 190 I HA 0.244 4.415 4.170 0.002 0.000 0.287 190 I C 0.254 176.388 176.117 0.028 0.000 1.023 190 I CA -0.856 60.462 61.300 0.029 0.000 1.083 190 I CB 1.629 39.661 38.000 0.053 0.000 1.245 190 I HN 0.213 nan 8.210 nan 0.000 0.434 191 E N 7.762 127.976 120.200 0.023 0.000 2.265 191 E HA 0.174 4.525 4.350 0.002 0.000 0.272 191 E C -2.192 174.422 176.600 0.023 0.000 1.067 191 E CA -1.622 54.787 56.400 0.015 0.000 0.900 191 E CB 0.048 29.751 29.700 0.005 0.000 1.017 191 E HN 0.301 nan 8.360 nan 0.000 0.431 192 P HA -0.029 nan 4.420 nan 0.000 0.268 192 P C -0.093 177.209 177.300 0.004 0.000 1.204 192 P CA 0.097 63.214 63.100 0.028 0.000 0.768 192 P CB 0.805 32.515 31.700 0.016 0.000 0.842 193 L N 1.825 123.045 121.223 -0.005 0.000 2.482 193 L HA 0.093 4.434 4.340 0.002 0.000 0.273 193 L C 1.170 178.019 176.870 -0.034 0.000 1.228 193 L CA 0.379 55.202 54.840 -0.029 0.000 0.827 193 L CB 0.044 42.071 42.059 -0.053 0.000 1.099 193 L HN 0.502 nan 8.230 nan 0.000 0.494 194 E N 2.257 122.432 120.200 -0.041 0.000 2.186 194 E HA 0.325 4.676 4.350 0.002 0.000 0.255 194 E C -1.141 175.424 176.600 -0.059 0.000 0.881 194 E CA -0.639 55.731 56.400 -0.049 0.000 0.752 194 E CB 1.045 30.718 29.700 -0.046 0.000 1.176 194 E HN 0.416 nan 8.360 nan 0.000 0.421 195 L N 4.463 125.647 121.223 -0.066 0.000 2.455 195 L HA 0.255 4.596 4.340 0.002 0.000 0.272 195 L C 0.981 177.799 176.870 -0.086 0.000 1.174 195 L CA 0.227 55.024 54.840 -0.071 0.000 0.869 195 L CB 0.305 42.320 42.059 -0.074 0.000 1.130 195 L HN 0.489 nan 8.230 nan 0.000 0.474 196 R N 1.671 122.127 120.500 -0.073 0.000 2.867 196 R HA 0.440 4.781 4.340 0.002 0.000 0.227 196 R C -0.699 175.585 176.300 -0.026 0.000 1.372 196 R CA -1.135 54.906 56.100 -0.098 0.000 1.083 196 R CB 0.521 30.797 30.300 -0.040 0.000 1.596 196 R HN 0.158 nan 8.270 nan 0.000 0.522 197 F N 2.380 122.372 119.950 0.069 0.000 2.580 197 F HA -0.151 4.377 4.527 0.002 0.000 0.398 197 F C 1.553 177.282 175.800 -0.117 0.000 1.023 197 F CA 0.972 59.024 58.000 0.086 0.000 1.188 197 F CB -0.101 39.123 39.000 0.373 0.000 1.005 197 F HN 0.602 nan 8.300 nan 0.000 0.546 198 K N 1.070 121.542 120.400 0.120 0.000 3.472 198 K HA -0.281 4.040 4.320 0.002 0.000 0.315 198 K C 1.048 177.588 176.600 -0.099 0.000 1.320 198 K CA 1.626 57.860 56.287 -0.088 0.000 0.962 198 K CB -0.788 31.496 32.500 -0.361 0.000 1.251 198 K HN 0.833 nan 8.250 nan 0.000 0.443 199 E N -1.189 118.976 120.200 -0.059 0.000 2.170 199 E HA -0.028 4.323 4.350 0.002 0.000 0.191 199 E C 1.932 178.487 176.600 -0.075 0.000 0.981 199 E CA 0.789 57.147 56.400 -0.071 0.000 0.830 199 E CB -0.004 29.661 29.700 -0.059 0.000 0.775 199 E HN 0.527 nan 8.360 nan 0.000 0.470 200 G N 1.692 110.448 108.800 -0.074 0.000 2.402 200 G HA2 -0.227 3.734 3.960 0.002 0.000 0.216 200 G HA3 -0.227 3.734 3.960 0.002 0.000 0.216 200 G C 1.576 176.390 174.900 -0.144 0.000 1.162 200 G CA 0.370 45.401 45.100 -0.116 0.000 0.777 200 G HN 0.121 nan 8.290 nan 0.000 0.539 201 L N 1.411 122.566 121.223 -0.113 0.000 2.027 201 L HA 0.194 4.535 4.340 0.002 0.000 0.206 201 L C 3.045 179.868 176.870 -0.078 0.000 1.074 201 L CA 2.170 56.944 54.840 -0.109 0.000 0.745 201 L CB -0.734 41.309 42.059 -0.027 0.000 0.898 201 L HN 0.222 nan 8.230 nan 0.000 0.433 202 A N -0.657 122.124 122.820 -0.066 0.000 1.978 202 A HA -0.176 4.145 4.320 0.002 0.000 0.220 202 A C 2.286 179.846 177.584 -0.040 0.000 1.170 202 A CA 1.931 53.942 52.037 -0.044 0.000 0.636 202 A CB -0.905 18.061 19.000 -0.057 0.000 0.810 202 A HN 0.518 nan 8.150 nan 0.000 0.448 203 L N -0.586 120.602 121.223 -0.059 0.000 2.141 203 L HA -0.100 4.241 4.340 0.002 0.000 0.209 203 L C 2.312 179.158 176.870 -0.040 0.000 1.094 203 L CA 1.564 56.373 54.840 -0.053 0.000 0.763 203 L CB -0.248 41.771 42.059 -0.066 0.000 0.908 203 L HN 0.723 nan 8.230 nan 0.000 0.437 204 I N -5.528 115.010 120.570 -0.054 0.000 4.181 204 I HA 0.158 4.329 4.170 0.002 0.000 0.331 204 I C 0.777 176.880 176.117 -0.022 0.000 1.312 204 I CA 0.006 61.282 61.300 -0.040 0.000 1.146 204 I CB 0.093 38.048 38.000 -0.074 0.000 1.074 204 I HN -0.024 nan 8.210 nan 0.000 0.402 205 N N 2.578 121.270 118.700 -0.014 0.000 3.303 205 N HA 0.448 5.189 4.740 0.002 0.000 0.304 205 N C -0.188 175.391 175.510 0.115 0.000 1.302 205 N CA 0.232 53.299 53.050 0.027 0.000 1.213 205 N CB 0.245 38.755 38.487 0.038 0.000 1.481 205 N HN 0.661 nan 8.380 nan 0.000 0.546 206 G N -1.705 107.151 108.800 0.094 0.000 2.682 206 G HA2 0.250 4.211 3.960 0.002 0.000 0.303 206 G HA3 0.250 4.211 3.960 0.002 0.000 0.303 206 G C -0.077 174.871 174.900 0.080 0.000 1.341 206 G CA -0.464 44.703 45.100 0.112 0.000 0.784 206 G HN 0.156 nan 8.290 nan 0.000 0.497 207 T N -2.085 112.504 114.554 0.058 0.000 3.251 207 T HA 0.271 4.622 4.350 0.002 0.000 0.259 207 T C 1.557 176.259 174.700 0.003 0.000 0.998 207 T CA 0.754 62.871 62.100 0.028 0.000 0.905 207 T CB 0.324 69.204 68.868 0.019 0.000 1.067 207 T HN 0.228 nan 8.240 nan 0.000 0.569 208 S N 1.097 116.797 115.700 0.001 0.000 2.419 208 S HA 0.038 4.509 4.470 0.002 0.000 0.233 208 S C 2.269 176.836 174.600 -0.054 0.000 1.016 208 S CA 1.121 59.307 58.200 -0.022 0.000 0.974 208 S CB -0.645 62.544 63.200 -0.018 0.000 0.786 208 S HN 0.786 nan 8.310 nan 0.000 0.492 209 G N 2.835 111.606 108.800 -0.049 0.000 2.464 209 G HA2 -0.230 3.731 3.960 0.002 0.000 0.214 209 G HA3 -0.230 3.731 3.960 0.002 0.000 0.214 209 G C 1.478 176.321 174.900 -0.095 0.000 1.218 209 G CA 1.106 46.150 45.100 -0.093 0.000 0.794 209 G HN 0.615 nan 8.290 nan 0.000 0.542 210 M N -0.275 119.303 119.600 -0.037 0.000 2.159 210 M HA 0.044 4.525 4.480 0.002 0.000 0.263 210 M C 2.229 178.510 176.300 -0.032 0.000 1.063 210 M CA 2.165 57.452 55.300 -0.022 0.000 1.110 210 M CB -0.946 31.648 32.600 -0.010 0.000 1.374 210 M HN 0.028 nan 8.290 nan 0.000 0.411 211 T N 0.922 115.455 114.554 -0.034 0.000 2.857 211 T HA 0.060 4.411 4.350 0.002 0.000 0.266 211 T C 1.938 176.615 174.700 -0.037 0.000 1.048 211 T CA 1.403 63.486 62.100 -0.029 0.000 1.139 211 T CB -0.568 68.288 68.868 -0.020 0.000 0.874 211 T HN 0.706 nan 8.240 nan 0.000 0.455 212 G N 1.534 110.296 108.800 -0.063 0.000 2.404 212 G HA2 -0.094 3.867 3.960 0.002 0.000 0.214 212 G HA3 -0.094 3.867 3.960 0.002 0.000 0.214 212 G C 1.496 176.345 174.900 -0.084 0.000 1.189 212 G CA 0.564 45.617 45.100 -0.078 0.000 0.789 212 G HN 0.387 nan 8.290 nan 0.000 0.533 213 L N 1.718 122.868 121.223 -0.122 0.000 2.017 213 L HA 0.118 4.459 4.340 0.002 0.000 0.208 213 L C 2.831 179.689 176.870 -0.021 0.000 1.073 213 L CA 2.462 57.249 54.840 -0.089 0.000 0.745 213 L CB -1.070 40.935 42.059 -0.089 0.000 0.894 213 L HN 0.190 nan 8.230 nan 0.000 0.432 214 G N -1.565 107.226 108.800 -0.014 0.000 2.469 214 G HA2 -0.299 3.663 3.960 0.002 0.000 0.219 214 G HA3 -0.299 3.663 3.960 0.002 0.000 0.219 214 G C 1.595 176.503 174.900 0.013 0.000 1.150 214 G CA 1.037 46.141 45.100 0.007 0.000 0.763 214 G HN 0.499 nan 8.290 nan 0.000 0.561 215 S N 0.411 116.113 115.700 0.003 0.000 2.359 215 S HA -0.043 4.428 4.470 0.002 0.000 0.224 215 S C 2.322 176.934 174.600 0.020 0.000 1.035 215 S CA 1.034 59.242 58.200 0.013 0.000 1.018 215 S CB -0.292 62.910 63.200 0.004 0.000 0.876 215 S HN 0.342 nan 8.310 nan 0.000 0.448 216 L N 1.063 122.293 121.223 0.011 0.000 2.012 216 L HA -0.120 4.222 4.340 0.002 0.000 0.210 216 L C 2.402 179.291 176.870 0.032 0.000 1.073 216 L CA 1.088 55.940 54.840 0.019 0.000 0.748 216 L CB -0.965 41.102 42.059 0.013 0.000 0.891 216 L HN 0.211 nan 8.230 nan 0.000 0.431 217 V N -0.559 119.376 119.914 0.035 0.000 2.287 217 V HA -0.260 3.861 4.120 0.002 0.000 0.248 217 V C 2.453 178.576 176.094 0.048 0.000 1.053 217 V CA 1.658 63.984 62.300 0.044 0.000 1.027 217 V CB -0.378 31.473 31.823 0.047 0.000 0.646 217 V HN 0.193 nan 8.190 nan 0.000 0.447 218 V N 0.863 120.806 119.914 0.049 0.000 2.295 218 V HA -0.181 3.940 4.120 0.002 0.000 0.246 218 V C 2.662 178.793 176.094 0.062 0.000 1.049 218 V CA 2.226 64.561 62.300 0.059 0.000 1.024 218 V CB -1.438 30.423 31.823 0.064 0.000 0.648 218 V HN 0.619 nan 8.190 nan 0.000 0.447 219 G N -0.211 108.622 108.800 0.056 0.000 2.440 219 G HA2 -0.265 3.696 3.960 0.002 0.000 0.218 219 G HA3 -0.265 3.696 3.960 0.002 0.000 0.218 219 G C 1.750 176.683 174.900 0.055 0.000 1.154 219 G CA 0.834 45.968 45.100 0.057 0.000 0.767 219 G HN 0.453 nan 8.290 nan 0.000 0.552 220 R N 0.400 120.930 120.500 0.050 0.000 2.115 220 R HA 0.152 4.493 4.340 0.002 0.000 0.226 220 R C 2.997 179.329 176.300 0.053 0.000 1.100 220 R CA 0.867 56.997 56.100 0.050 0.000 0.980 220 R CB -0.282 30.045 30.300 0.046 0.000 0.875 220 R HN 0.347 nan 8.270 nan 0.000 0.445 221 A N 1.293 124.145 122.820 0.052 0.000 1.933 221 A HA -0.132 4.189 4.320 0.002 0.000 0.218 221 A C 2.124 179.735 177.584 0.045 0.000 1.175 221 A CA 1.146 53.212 52.037 0.048 0.000 0.628 221 A CB -0.480 18.548 19.000 0.047 0.000 0.814 221 A HN 0.177 nan 8.150 nan 0.000 0.444 222 L N -0.601 120.654 121.223 0.054 0.000 2.046 222 L HA -0.197 4.144 4.340 0.002 0.000 0.208 222 L C 2.612 179.521 176.870 0.065 0.000 1.077 222 L CA 1.558 56.434 54.840 0.060 0.000 0.747 222 L CB -0.567 41.548 42.059 0.094 0.000 0.896 222 L HN 0.480 nan 8.230 nan 0.000 0.432 223 E N -0.376 119.864 120.200 0.067 0.000 2.106 223 E HA -0.284 4.067 4.350 0.002 0.000 0.192 223 E C 2.099 178.746 176.600 0.078 0.000 0.984 223 E CA 0.940 57.383 56.400 0.072 0.000 0.806 223 E CB -0.083 29.657 29.700 0.067 0.000 0.750 223 E HN 0.521 nan 8.360 nan 0.000 0.458 224 Q N 0.523 120.365 119.800 0.070 0.000 2.119 224 Q HA -0.137 4.204 4.340 0.002 0.000 0.201 224 Q C 2.127 178.168 176.000 0.068 0.000 0.972 224 Q CA 1.196 57.043 55.803 0.074 0.000 0.847 224 Q CB -0.047 28.728 28.738 0.062 0.000 0.903 224 Q HN 0.237 nan 8.270 nan 0.000 0.433 225 A N 0.556 123.406 122.820 0.050 0.000 1.902 225 A HA -0.250 4.071 4.320 0.002 0.000 0.217 225 A C 1.910 179.522 177.584 0.046 0.000 1.181 225 A CA 1.611 53.668 52.037 0.034 0.000 0.623 225 A CB -0.496 18.508 19.000 0.007 0.000 0.818 225 A HN 0.498 nan 8.150 nan 0.000 0.443 226 Q N -0.681 119.157 119.800 0.062 0.000 2.079 226 Q HA -0.193 4.148 4.340 0.002 0.000 0.200 226 Q C 2.179 178.234 176.000 0.092 0.000 0.974 226 Q CA 1.570 57.414 55.803 0.069 0.000 0.840 226 Q CB -0.210 28.575 28.738 0.078 0.000 0.898 226 Q HN 0.756 nan 8.270 nan 0.000 0.430 227 Q N -0.189 119.686 119.800 0.125 0.000 2.369 227 Q HA -0.029 4.313 4.340 0.002 0.000 0.206 227 Q C 1.901 178.006 176.000 0.176 0.000 0.963 227 Q CA 0.847 56.770 55.803 0.199 0.000 0.894 227 Q CB 0.040 28.910 28.738 0.220 0.000 0.965 227 Q HN 0.345 nan 8.270 nan 0.000 0.475 228 A N 1.270 124.148 122.820 0.096 0.000 1.898 228 A HA -0.163 4.158 4.320 0.002 0.000 0.214 228 A C 1.765 179.342 177.584 -0.012 0.000 1.183 228 A CA 0.999 53.062 52.037 0.043 0.000 0.622 228 A CB -0.162 18.861 19.000 0.038 0.000 0.824 228 A HN 0.272 nan 8.150 nan 0.000 0.444 229 E N -0.065 120.137 120.200 0.003 0.000 2.110 229 E HA -0.137 4.214 4.350 0.002 0.000 0.193 229 E C 1.818 178.382 176.600 -0.060 0.000 0.988 229 E CA 1.138 57.520 56.400 -0.029 0.000 0.804 229 E CB -0.294 29.397 29.700 -0.014 0.000 0.745 229 E HN 0.674 nan 8.360 nan 0.000 0.458 230 I N 0.516 121.077 120.570 -0.016 0.000 2.142 230 I HA -0.245 3.926 4.170 0.002 0.000 0.240 230 I C 2.544 178.566 176.117 -0.158 0.000 1.078 230 I CA 0.875 62.164 61.300 -0.018 0.000 1.343 230 I CB -0.218 37.856 38.000 0.124 0.000 1.046 230 I HN 0.050 nan 8.210 nan 0.000 0.405 231 V N 0.202 119.901 119.914 -0.359 0.000 2.548 231 V HA -0.221 3.900 4.120 0.002 0.000 0.249 231 V C 2.364 178.247 176.094 -0.352 0.000 1.055 231 V CA 2.383 64.281 62.300 -0.669 0.000 1.065 231 V CB -0.316 30.689 31.823 -1.365 0.000 0.681 231 V HN 0.463 nan 8.190 nan 0.000 0.462 232 T N 0.624 115.043 114.554 -0.225 0.000 2.788 232 T HA -0.115 4.236 4.350 0.002 0.000 0.268 232 T C 1.974 176.592 174.700 -0.138 0.000 1.044 232 T CA 1.606 63.624 62.100 -0.138 0.000 1.139 232 T CB -0.432 68.392 68.868 -0.074 0.000 0.867 232 T HN 0.661 nan 8.240 nan 0.000 0.454 233 A N 1.390 124.111 122.820 -0.163 0.000 1.898 233 A HA 0.031 4.352 4.320 0.002 0.000 0.216 233 A C 2.226 179.727 177.584 -0.138 0.000 1.181 233 A CA 1.213 53.143 52.037 -0.178 0.000 0.620 233 A CB -0.757 18.138 19.000 -0.174 0.000 0.819 233 A HN 0.421 nan 8.150 nan 0.000 0.442 234 L N -0.272 120.872 121.223 -0.133 0.000 2.012 234 L HA -0.117 4.224 4.340 0.002 0.000 0.210 234 L C 2.230 179.045 176.870 -0.092 0.000 1.073 234 L CA 2.079 56.861 54.840 -0.097 0.000 0.748 234 L CB -0.631 41.367 42.059 -0.103 0.000 0.891 234 L HN 0.434 nan 8.230 nan 0.000 0.431 235 L N -1.024 120.128 121.223 -0.118 0.000 2.046 235 L HA -0.219 4.122 4.340 0.002 0.000 0.208 235 L C 2.521 179.353 176.870 -0.064 0.000 1.077 235 L CA 1.606 56.392 54.840 -0.090 0.000 0.747 235 L CB -0.210 41.790 42.059 -0.098 0.000 0.896 235 L HN 0.323 nan 8.230 nan 0.000 0.432 236 I N -0.185 120.347 120.570 -0.065 0.000 2.264 236 I HA -0.318 3.853 4.170 0.002 0.000 0.248 236 I C 2.390 178.471 176.117 -0.059 0.000 1.111 236 I CA 1.475 62.747 61.300 -0.045 0.000 1.382 236 I CB -0.299 37.679 38.000 -0.036 0.000 1.060 236 I HN 0.383 nan 8.210 nan 0.000 0.418 237 E N 0.964 121.122 120.200 -0.071 0.000 2.028 237 E HA -0.168 4.183 4.350 0.002 0.000 0.190 237 E C 2.355 178.917 176.600 -0.062 0.000 0.984 237 E CA 1.175 57.534 56.400 -0.069 0.000 0.800 237 E CB -0.236 29.419 29.700 -0.076 0.000 0.758 237 E HN 0.474 nan 8.360 nan 0.000 0.448 238 A N 1.035 123.822 122.820 -0.055 0.000 2.084 238 A HA -0.138 4.183 4.320 0.002 0.000 0.221 238 A C 2.178 179.739 177.584 -0.039 0.000 1.161 238 A CA 1.253 53.264 52.037 -0.043 0.000 0.653 238 A CB -0.219 18.760 19.000 -0.034 0.000 0.802 238 A HN 0.213 nan 8.150 nan 0.000 0.457 239 V N -0.982 118.903 119.914 -0.049 0.000 3.319 239 V HA 0.198 4.319 4.120 0.002 0.000 0.317 239 V C 0.317 176.341 176.094 -0.117 0.000 1.411 239 V CA 0.042 62.309 62.300 -0.055 0.000 1.112 239 V CB -1.087 30.718 31.823 -0.030 0.000 1.031 239 V HN 0.630 nan 8.190 nan 0.000 0.448 240 R N 0.472 120.918 120.500 -0.091 0.000 3.264 240 R HA -0.156 4.185 4.340 0.002 0.000 0.251 240 R C 0.777 177.004 176.300 -0.122 0.000 0.971 240 R CA 0.497 56.543 56.100 -0.089 0.000 0.658 240 R CB -2.124 28.132 30.300 -0.072 0.000 1.095 240 R HN 0.650 nan 8.270 nan 0.000 0.443 241 G N 0.207 108.939 108.800 -0.113 0.000 2.616 241 G HA2 0.292 4.253 3.960 0.002 0.000 0.268 241 G HA3 0.292 4.253 3.960 0.002 0.000 0.268 241 G C -0.007 174.887 174.900 -0.011 0.000 1.213 241 G CA -0.118 44.920 45.100 -0.104 0.000 0.926 241 G HN 0.185 nan 8.290 nan 0.000 0.523 242 S N -1.905 113.807 115.700 0.021 0.000 2.592 242 S HA 0.313 4.784 4.470 0.002 0.000 0.271 242 S C 1.679 176.373 174.600 0.157 0.000 1.326 242 S CA 0.260 58.504 58.200 0.072 0.000 1.024 242 S CB 0.851 64.093 63.200 0.071 0.000 0.921 242 S HN 0.868 nan 8.310 nan 0.000 0.527 243 T N 0.490 115.143 114.554 0.165 0.000 3.044 243 T HA 0.072 4.423 4.350 0.002 0.000 0.250 243 T C 1.940 176.772 174.700 0.219 0.000 1.081 243 T CA 0.675 62.943 62.100 0.280 0.000 1.040 243 T CB -0.309 68.664 68.868 0.174 0.000 0.962 243 T HN 0.464 nan 8.240 nan 0.000 0.506 244 S N 2.959 118.710 115.700 0.085 0.000 2.381 244 S HA -0.076 4.395 4.470 0.002 0.000 0.230 244 S C -0.633 173.898 174.600 -0.116 0.000 1.052 244 S CA 1.628 59.821 58.200 -0.012 0.000 1.068 244 S CB -1.267 61.894 63.200 -0.065 0.000 0.918 244 S HN 0.419 nan 8.310 nan 0.000 0.448 245 P HA -0.058 nan 4.420 nan 0.000 0.220 245 P C 0.406 177.382 177.300 -0.540 0.000 1.144 245 P CA 1.046 63.824 63.100 -0.537 0.000 0.800 245 P CB -0.125 31.078 31.700 -0.828 0.000 0.772 246 F N -2.279 117.734 119.950 0.106 0.000 2.695 246 F HA 0.186 4.715 4.527 0.002 0.000 0.303 246 F C 1.069 176.940 175.800 0.118 0.000 1.091 246 F CA -0.504 57.557 58.000 0.103 0.000 1.300 246 F CB -0.802 38.202 39.000 0.007 0.000 1.071 246 F HN -0.257 nan 8.300 nan 0.000 0.578 247 L N 0.658 122.002 121.223 0.202 0.000 2.525 247 L HA 0.011 4.353 4.340 0.002 0.000 0.278 247 L C 1.758 178.742 176.870 0.190 0.000 1.218 247 L CA -0.113 54.814 54.840 0.145 0.000 0.878 247 L CB 0.410 42.507 42.059 0.063 0.000 1.127 247 L HN 0.225 nan 8.230 nan 0.000 0.492 248 A N 3.265 126.172 122.820 0.145 0.000 1.940 248 A HA -0.183 4.138 4.320 0.002 0.000 0.219 248 A C 2.106 179.757 177.584 0.112 0.000 1.176 248 A CA 1.655 53.779 52.037 0.145 0.000 0.631 248 A CB -0.458 18.591 19.000 0.083 0.000 0.814 248 A HN 0.924 nan 8.150 nan 0.000 0.446 249 E N -0.071 120.161 120.200 0.054 0.000 2.160 249 E HA -0.160 4.192 4.350 0.002 0.000 0.195 249 E C 1.942 178.520 176.600 -0.036 0.000 0.991 249 E CA 1.449 57.853 56.400 0.007 0.000 0.810 249 E CB -0.994 28.700 29.700 -0.011 0.000 0.742 249 E HN 0.456 nan 8.360 nan 0.000 0.466 250 G N 0.673 109.430 108.800 -0.071 0.000 2.418 250 G HA2 -0.245 3.716 3.960 0.002 0.000 0.217 250 G HA3 -0.245 3.716 3.960 0.002 0.000 0.217 250 G C 0.990 175.658 174.900 -0.385 0.000 1.158 250 G CA 1.333 46.265 45.100 -0.280 0.000 0.771 250 G HN 0.417 nan 8.290 nan 0.000 0.545 251 H N -0.282 118.781 119.070 -0.012 0.000 2.422 251 H HA 0.205 4.762 4.556 0.002 0.000 0.303 251 H C 2.050 177.377 175.328 -0.002 0.000 1.033 251 H CA 0.597 56.646 56.048 0.002 0.000 1.335 251 H CB -0.167 29.612 29.762 0.029 0.000 1.458 251 H HN 0.170 nan 8.280 nan 0.000 0.556 252 D N 0.480 120.965 120.400 0.142 0.000 2.149 252 D HA -0.093 4.549 4.640 0.002 0.000 0.198 252 D C 1.667 177.982 176.300 0.026 0.000 0.990 252 D CA 1.322 55.364 54.000 0.070 0.000 0.839 252 D CB 0.172 41.008 40.800 0.060 0.000 0.948 252 D HN 0.398 nan 8.370 nan 0.000 0.460 253 I N -0.434 120.142 120.570 0.010 0.000 3.300 253 I HA 0.110 4.281 4.170 0.002 0.000 0.279 253 I C 2.109 178.202 176.117 -0.040 0.000 1.172 253 I CA 0.368 61.658 61.300 -0.016 0.000 1.431 253 I CB 0.044 38.034 38.000 -0.017 0.000 1.240 253 I HN -0.087 nan 8.210 nan 0.000 0.453 254 A N 0.377 123.161 122.820 -0.060 0.000 1.975 254 A HA 0.066 4.387 4.320 0.002 0.000 0.215 254 A C 1.578 179.107 177.584 -0.091 0.000 1.170 254 A CA 0.729 52.716 52.037 -0.082 0.000 0.656 254 A CB 0.079 19.013 19.000 -0.110 0.000 0.821 254 A HN 0.307 nan 8.150 nan 0.000 0.449 255 R N 0.016 120.462 120.500 -0.091 0.000 2.928 255 R HA 0.168 4.509 4.340 0.002 0.000 0.248 255 R C -2.931 173.315 176.300 -0.090 0.000 1.796 255 R CA -1.125 54.912 56.100 -0.105 0.000 1.477 255 R CB 1.146 31.410 30.300 -0.059 0.000 1.484 255 R HN 0.096 nan 8.270 nan 0.000 0.623 256 P HA 0.004 nan 4.420 nan 0.000 0.262 256 P C -0.786 176.458 177.300 -0.093 0.000 1.647 256 P CA 0.034 63.088 63.100 -0.077 0.000 0.865 256 P CB -0.484 31.178 31.700 -0.064 0.000 1.834 257 H N -0.099 119.008 119.070 0.061 0.000 2.722 257 H HA 0.064 4.621 4.556 0.002 0.000 0.328 257 H C 1.633 177.016 175.328 0.092 0.000 1.067 257 H CA -0.005 56.083 56.048 0.066 0.000 1.447 257 H CB 1.177 30.974 29.762 0.057 0.000 1.469 257 H HN 0.208 nan 8.280 nan 0.000 0.544 258 E N 2.897 123.229 120.200 0.220 0.000 2.070 258 E HA -0.206 4.145 4.350 0.002 0.000 0.197 258 E C 2.224 178.980 176.600 0.260 0.000 1.004 258 E CA 1.457 57.976 56.400 0.199 0.000 0.805 258 E CB -0.212 29.599 29.700 0.185 0.000 0.744 258 E HN 0.927 nan 8.360 nan 0.000 0.451 259 G N 0.441 109.416 108.800 0.291 0.000 2.440 259 G HA2 -0.362 3.599 3.960 0.002 0.000 0.218 259 G HA3 -0.362 3.599 3.960 0.002 0.000 0.218 259 G C 1.491 176.467 174.900 0.126 0.000 1.154 259 G CA 0.926 46.145 45.100 0.198 0.000 0.767 259 G HN 0.359 nan 8.290 nan 0.000 0.552 260 Q N -0.227 119.660 119.800 0.144 0.000 2.050 260 Q HA -0.060 4.281 4.340 0.002 0.000 0.202 260 Q C 2.598 178.625 176.000 0.045 0.000 0.980 260 Q CA 1.209 57.090 55.803 0.131 0.000 0.840 260 Q CB -0.208 28.685 28.738 0.258 0.000 0.898 260 Q HN 0.579 nan 8.270 nan 0.000 0.424 261 I N 0.971 121.602 120.570 0.101 0.000 2.226 261 I HA -0.292 3.879 4.170 0.002 0.000 0.245 261 I C 1.692 177.820 176.117 0.019 0.000 1.100 261 I CA 1.192 62.526 61.300 0.057 0.000 1.374 261 I CB -0.329 37.724 38.000 0.089 0.000 1.057 261 I HN 0.233 nan 8.210 nan 0.000 0.413 262 D N 0.331 120.775 120.400 0.072 0.000 2.117 262 D HA -0.141 4.500 4.640 0.002 0.000 0.197 262 D C 2.209 178.531 176.300 0.037 0.000 0.987 262 D CA 1.511 55.558 54.000 0.079 0.000 0.829 262 D CB -0.314 40.593 40.800 0.178 0.000 0.961 262 D HN 0.262 nan 8.370 nan 0.000 0.460 263 T N 0.434 114.997 114.554 0.017 0.000 2.812 263 T HA -0.018 4.333 4.350 0.002 0.000 0.264 263 T C 1.991 176.671 174.700 -0.033 0.000 1.042 263 T CA 1.181 63.280 62.100 -0.002 0.000 1.140 263 T CB -0.151 68.724 68.868 0.011 0.000 0.870 263 T HN 0.168 nan 8.240 nan 0.000 0.445 264 A N 1.475 124.217 122.820 -0.130 0.000 1.933 264 A HA 0.131 4.452 4.320 0.002 0.000 0.218 264 A C 2.594 180.149 177.584 -0.049 0.000 1.175 264 A CA 1.854 53.796 52.037 -0.160 0.000 0.628 264 A CB -1.049 17.555 19.000 -0.661 0.000 0.814 264 A HN 0.497 nan 8.150 nan 0.000 0.444 265 A N 0.378 123.170 122.820 -0.046 0.000 1.858 265 A HA -0.205 4.116 4.320 0.002 0.000 0.216 265 A C 1.925 179.494 177.584 -0.025 0.000 1.190 265 A CA 1.859 53.887 52.037 -0.015 0.000 0.617 265 A CB -0.702 18.298 19.000 0.001 0.000 0.827 265 A HN 0.519 nan 8.150 nan 0.000 0.443 266 N N -0.398 118.288 118.700 -0.024 0.000 2.149 266 N HA -0.128 4.613 4.740 0.002 0.000 0.188 266 N C 1.623 177.082 175.510 -0.085 0.000 1.019 266 N CA 1.545 54.575 53.050 -0.033 0.000 0.857 266 N CB -0.396 38.084 38.487 -0.013 0.000 0.997 266 N HN 0.358 nan 8.380 nan 0.000 0.426 267 M N 0.534 120.052 119.600 -0.136 0.000 2.175 267 M HA -0.026 4.455 4.480 0.002 0.000 0.264 267 M C 1.885 178.008 176.300 -0.294 0.000 1.063 267 M CA 1.125 56.239 55.300 -0.309 0.000 1.119 267 M CB -0.790 31.467 32.600 -0.571 0.000 1.377 267 M HN 0.145 nan 8.290 nan 0.000 0.415 268 R N -0.188 120.217 120.500 -0.158 0.000 2.092 268 R HA -0.035 4.306 4.340 0.002 0.000 0.231 268 R C 2.287 178.543 176.300 -0.075 0.000 1.119 268 R CA 1.417 57.465 56.100 -0.087 0.000 0.970 268 R CB -0.470 29.826 30.300 -0.006 0.000 0.864 268 R HN 0.374 nan 8.270 nan 0.000 0.440 269 A N 1.244 124.026 122.820 -0.062 0.000 1.898 269 A HA -0.094 4.227 4.320 0.002 0.000 0.216 269 A C 2.162 179.714 177.584 -0.054 0.000 1.181 269 A CA 1.033 53.044 52.037 -0.043 0.000 0.620 269 A CB -0.447 18.537 19.000 -0.026 0.000 0.819 269 A HN 0.162 nan 8.150 nan 0.000 0.442 270 L N -1.373 119.803 121.223 -0.078 0.000 2.141 270 L HA -0.078 4.263 4.340 0.002 0.000 0.209 270 L C 2.432 179.248 176.870 -0.091 0.000 1.094 270 L CA 1.113 55.908 54.840 -0.076 0.000 0.763 270 L CB -0.314 41.690 42.059 -0.091 0.000 0.908 270 L HN 0.407 nan 8.230 nan 0.000 0.437 271 M N -1.214 118.311 119.600 -0.124 0.000 2.428 271 M HA 0.055 4.536 4.480 0.002 0.000 0.239 271 M C 0.849 177.102 176.300 -0.078 0.000 1.121 271 M CA 0.003 55.233 55.300 -0.117 0.000 1.019 271 M CB 0.186 32.686 32.600 -0.167 0.000 1.485 271 M HN 0.052 nan 8.290 nan 0.000 0.484 272 R N 1.219 121.681 120.500 -0.063 0.000 2.585 272 R HA 0.144 4.485 4.340 0.002 0.000 0.275 272 R C 0.798 177.073 176.300 -0.041 0.000 1.018 272 R CA 1.248 57.323 56.100 -0.042 0.000 1.072 272 R CB 0.171 30.452 30.300 -0.031 0.000 0.953 272 R HN 0.470 nan 8.270 nan 0.000 0.419 273 G N 2.456 111.234 108.800 -0.036 0.000 2.176 273 G HA2 -0.291 3.671 3.960 0.002 0.000 0.252 273 G HA3 -0.291 3.671 3.960 0.002 0.000 0.252 273 G C -0.078 174.790 174.900 -0.053 0.000 1.024 273 G CA 0.445 45.521 45.100 -0.039 0.000 0.755 273 G HN 0.670 nan 8.290 nan 0.000 0.507 274 S N -0.728 114.939 115.700 -0.054 0.000 2.562 274 S HA 0.600 5.071 4.470 0.002 0.000 0.275 274 S C 1.575 176.139 174.600 -0.060 0.000 1.281 274 S CA 0.774 58.934 58.200 -0.067 0.000 1.045 274 S CB 1.201 64.360 63.200 -0.067 0.000 0.962 274 S HN 1.208 nan 8.310 nan 0.000 0.503 275 G N 3.302 112.059 108.800 -0.072 0.000 2.887 275 G HA2 0.143 4.105 3.960 0.002 0.000 0.211 275 G HA3 0.143 4.105 3.960 0.002 0.000 0.211 275 G C 0.964 175.830 174.900 -0.057 0.000 1.152 275 G CA -0.033 45.030 45.100 -0.062 0.000 0.769 275 G HN 0.653 nan 8.290 nan 0.000 0.541 276 L N 1.199 122.384 121.223 -0.063 0.000 2.253 276 L HA 0.143 4.484 4.340 0.002 0.000 0.205 276 L C 1.929 178.771 176.870 -0.047 0.000 1.078 276 L CA 0.608 55.414 54.840 -0.057 0.000 0.805 276 L CB -0.638 41.381 42.059 -0.067 0.000 0.963 276 L HN 0.188 nan 8.230 nan 0.000 0.459 277 T N -0.067 114.462 114.554 -0.043 0.000 2.855 277 T HA 0.299 4.650 4.350 0.002 0.000 0.314 277 T C -0.099 174.592 174.700 -0.015 0.000 1.077 277 T CA -0.607 61.477 62.100 -0.027 0.000 1.095 277 T CB 1.085 69.944 68.868 -0.017 0.000 0.987 277 T HN 0.040 nan 8.240 nan 0.000 0.546 278 V N -1.020 118.892 119.914 -0.002 0.000 2.628 278 V HA 0.645 4.766 4.120 0.002 0.000 0.306 278 V C -0.260 175.853 176.094 0.031 0.000 1.045 278 V CA -1.213 61.089 62.300 0.004 0.000 0.905 278 V CB 1.708 33.526 31.823 -0.008 0.000 0.997 278 V HN 0.880 nan 8.190 nan 0.000 0.436 279 E N 1.674 121.891 120.200 0.028 0.000 2.343 279 E HA 0.175 4.526 4.350 0.002 0.000 0.269 279 E C 0.661 177.300 176.600 0.065 0.000 1.047 279 E CA -0.108 56.324 56.400 0.054 0.000 0.874 279 E CB 1.363 31.086 29.700 0.037 0.000 1.033 279 E HN 0.994 nan 8.360 nan 0.000 0.409 280 H N 3.240 122.316 119.070 0.010 0.000 2.321 280 H HA -0.206 4.351 4.556 0.002 0.000 0.295 280 H C 1.701 177.031 175.328 0.003 0.000 1.102 280 H CA 2.732 58.783 56.048 0.005 0.000 1.266 280 H CB 0.054 29.818 29.762 0.002 0.000 1.363 280 H HN 0.604 nan 8.280 nan 0.000 0.492 281 A N 0.518 123.298 122.820 -0.067 0.000 1.948 281 A HA -0.244 4.077 4.320 0.002 0.000 0.220 281 A C 2.124 179.635 177.584 -0.122 0.000 1.177 281 A CA 2.099 54.070 52.037 -0.111 0.000 0.636 281 A CB -0.535 18.455 19.000 -0.017 0.000 0.815 281 A HN 0.627 nan 8.150 nan 0.000 0.449 282 D N -0.128 120.224 120.400 -0.079 0.000 2.117 282 D HA -0.092 4.550 4.640 0.002 0.000 0.198 282 D C 2.007 178.255 176.300 -0.085 0.000 0.982 282 D CA 0.975 54.937 54.000 -0.063 0.000 0.828 282 D CB -0.376 40.403 40.800 -0.034 0.000 0.967 282 D HN 0.462 nan 8.370 nan 0.000 0.464 283 L N 0.518 121.674 121.223 -0.111 0.000 1.994 283 L HA -0.147 4.194 4.340 0.002 0.000 0.208 283 L C 2.721 179.503 176.870 -0.148 0.000 1.071 283 L CA 1.025 55.801 54.840 -0.106 0.000 0.745 283 L CB -0.286 41.724 42.059 -0.082 0.000 0.892 283 L HN -0.030 nan 8.230 nan 0.000 0.431 284 R N 0.116 120.450 120.500 -0.277 0.000 2.103 284 R HA -0.215 4.126 4.340 0.002 0.000 0.242 284 R C 2.415 178.640 176.300 -0.125 0.000 1.142 284 R CA 1.740 57.696 56.100 -0.239 0.000 0.960 284 R CB -0.097 29.996 30.300 -0.345 0.000 0.858 284 R HN 0.279 nan 8.270 nan 0.000 0.439 285 R N -0.274 120.161 120.500 -0.108 0.000 2.093 285 R HA -0.087 4.254 4.340 0.002 0.000 0.224 285 R C 2.340 178.609 176.300 -0.052 0.000 1.101 285 R CA 1.386 57.447 56.100 -0.066 0.000 0.979 285 R CB -0.186 30.082 30.300 -0.054 0.000 0.877 285 R HN 0.414 nan 8.270 nan 0.000 0.441 286 E N 0.872 121.041 120.200 -0.052 0.000 2.072 286 E HA -0.207 4.144 4.350 0.002 0.000 0.191 286 E C 1.921 178.499 176.600 -0.037 0.000 0.985 286 E CA 0.896 57.273 56.400 -0.038 0.000 0.801 286 E CB 0.046 29.727 29.700 -0.032 0.000 0.750 286 E HN 0.089 nan 8.360 nan 0.000 0.452 287 L N 1.428 122.624 121.223 -0.045 0.000 2.046 287 L HA -0.210 4.131 4.340 0.002 0.000 0.208 287 L C 2.466 179.314 176.870 -0.038 0.000 1.077 287 L CA 1.975 56.790 54.840 -0.042 0.000 0.747 287 L CB -0.751 41.279 42.059 -0.047 0.000 0.896 287 L HN 0.165 nan 8.230 nan 0.000 0.432 288 Q N -0.213 119.562 119.800 -0.040 0.000 2.050 288 Q HA -0.208 4.133 4.340 0.002 0.000 0.202 288 Q C 2.077 178.061 176.000 -0.027 0.000 0.980 288 Q CA 1.806 57.590 55.803 -0.032 0.000 0.840 288 Q CB -0.199 28.519 28.738 -0.033 0.000 0.898 288 Q HN 0.312 nan 8.270 nan 0.000 0.424 289 K N 0.429 120.813 120.400 -0.026 0.000 2.209 289 K HA -0.142 4.179 4.320 0.002 0.000 0.204 289 K C 1.500 178.088 176.600 -0.020 0.000 1.048 289 K CA 1.458 57.733 56.287 -0.021 0.000 0.940 289 K CB -0.487 32.001 32.500 -0.020 0.000 0.729 289 K HN 0.375 nan 8.250 nan 0.000 0.451 290 D N 0.645 121.032 120.400 -0.023 0.000 2.371 290 D HA -0.036 4.605 4.640 0.002 0.000 0.221 290 D C -0.346 175.940 176.300 -0.023 0.000 0.986 290 D CA 0.519 54.506 54.000 -0.022 0.000 0.899 290 D CB 0.293 41.077 40.800 -0.026 0.000 0.902 290 D HN 0.051 nan 8.370 nan 0.000 0.530 291 K N 0.558 120.945 120.400 -0.022 0.000 2.130 291 K HA 0.299 4.620 4.320 0.002 0.000 0.268 291 K C -0.413 176.177 176.600 -0.017 0.000 0.983 291 K CA -0.503 55.772 56.287 -0.021 0.000 0.893 291 K CB 1.696 34.183 32.500 -0.021 0.000 1.066 291 K HN 0.014 nan 8.250 nan 0.000 0.450 292 E N 1.497 121.688 120.200 -0.015 0.000 2.081 292 E HA 0.116 4.467 4.350 0.002 0.000 0.281 292 E C 0.276 176.870 176.600 -0.011 0.000 0.986 292 E CA -0.335 56.058 56.400 -0.012 0.000 0.796 292 E CB 1.236 30.930 29.700 -0.011 0.000 1.085 292 E HN 0.742 nan 8.360 nan 0.000 0.398 293 A N 3.445 126.258 122.820 -0.010 0.000 2.234 293 A HA -0.116 4.205 4.320 0.002 0.000 0.216 293 A C 1.848 179.427 177.584 -0.008 0.000 1.167 293 A CA 1.454 53.485 52.037 -0.009 0.000 0.698 293 A CB -0.298 18.697 19.000 -0.008 0.000 0.779 293 A HN 0.725 nan 8.150 nan 0.000 0.475 294 G N -1.291 107.505 108.800 -0.008 0.000 2.464 294 G HA2 0.091 4.052 3.960 0.002 0.000 0.217 294 G HA3 0.091 4.052 3.960 0.002 0.000 0.217 294 G C 0.732 175.628 174.900 -0.007 0.000 1.138 294 G CA 0.294 45.390 45.100 -0.007 0.000 0.793 294 G HN 0.319 nan 8.290 nan 0.000 0.539 295 K N 0.366 120.761 120.400 -0.008 0.000 2.318 295 K HA 0.296 4.617 4.320 0.002 0.000 0.249 295 K C -0.020 176.575 176.600 -0.008 0.000 0.942 295 K CA -0.706 55.576 56.287 -0.008 0.000 0.808 295 K CB 1.999 34.495 32.500 -0.008 0.000 1.189 295 K HN -0.140 nan 8.250 nan 0.000 0.428 296 D N 0.153 120.549 120.400 -0.007 0.000 2.117 296 D HA -0.082 4.559 4.640 0.002 0.000 0.198 296 D C 0.858 177.153 176.300 -0.008 0.000 0.982 296 D CA 1.275 55.271 54.000 -0.007 0.000 0.828 296 D CB 0.162 40.958 40.800 -0.006 0.000 0.967 296 D HN 0.331 nan 8.370 nan 0.000 0.464 297 V N -0.242 119.667 119.914 -0.009 0.000 2.444 297 V HA 0.579 4.700 4.120 0.002 0.000 0.294 297 V C -0.729 175.357 176.094 -0.013 0.000 1.022 297 V CA -0.842 61.452 62.300 -0.011 0.000 0.850 297 V CB 1.492 33.309 31.823 -0.009 0.000 0.992 297 V HN 0.128 nan 8.190 nan 0.000 0.426 298 Q N 3.689 123.478 119.800 -0.018 0.000 2.456 298 Q HA 0.706 5.047 4.340 0.002 0.000 0.283 298 Q C -1.198 174.785 176.000 -0.029 0.000 1.084 298 Q CA -1.204 54.587 55.803 -0.021 0.000 0.801 298 Q CB 2.760 31.486 28.738 -0.020 0.000 1.434 298 Q HN 0.757 nan 8.270 nan 0.000 0.419 299 R N 0.626 121.108 120.500 -0.031 0.000 2.500 299 R HA 0.676 5.018 4.340 0.002 0.000 0.277 299 R C -0.660 175.608 176.300 -0.054 0.000 1.026 299 R CA -0.552 55.522 56.100 -0.043 0.000 1.058 299 R CB 1.771 32.051 30.300 -0.033 0.000 1.078 299 R HN 0.683 nan 8.270 nan 0.000 0.509 300 S N -0.123 115.526 115.700 -0.085 0.000 2.556 300 S HA 0.174 4.645 4.470 0.002 0.000 0.271 300 S C -0.374 174.141 174.600 -0.141 0.000 1.135 300 S CA -0.742 57.400 58.200 -0.096 0.000 0.858 300 S CB 1.740 64.880 63.200 -0.100 0.000 1.114 300 S HN 0.717 nan 8.310 nan 0.000 0.468 301 E N 1.738 121.878 120.200 -0.100 0.000 2.474 301 E HA 0.285 4.636 4.350 0.002 0.000 0.195 301 E C -0.431 176.121 176.600 -0.080 0.000 1.039 301 E CA 0.138 56.489 56.400 -0.081 0.000 0.881 301 E CB 0.297 29.997 29.700 0.001 0.000 0.970 301 E HN 0.541 nan 8.360 nan 0.000 0.486 302 I N 1.204 121.701 120.570 -0.121 0.000 2.353 302 I HA 0.148 4.319 4.170 0.002 0.000 0.293 302 I C -0.656 175.375 176.117 -0.144 0.000 0.992 302 I CA -0.677 60.594 61.300 -0.049 0.000 1.268 302 I CB 0.596 38.580 38.000 -0.027 0.000 1.387 302 I HN -0.084 nan 8.210 nan 0.000 0.478 303 Y N 5.999 126.349 120.300 0.083 0.000 2.434 303 Y HA 0.159 4.710 4.550 0.002 0.000 0.341 303 Y C 0.765 176.706 175.900 0.067 0.000 0.965 303 Y CA -0.469 57.690 58.100 0.098 0.000 1.205 303 Y CB 1.358 39.930 38.460 0.188 0.000 1.121 303 Y HN 0.522 nan 8.280 nan 0.000 0.507 304 L N 2.037 123.351 121.223 0.152 0.000 2.129 304 L HA -0.171 4.170 4.340 0.002 0.000 0.212 304 L C 0.452 177.424 176.870 0.170 0.000 1.087 304 L CA 2.000 56.919 54.840 0.131 0.000 0.757 304 L CB -0.166 41.962 42.059 0.115 0.000 0.896 304 L HN 0.604 nan 8.230 nan 0.000 0.434 305 Q N -1.034 118.883 119.800 0.196 0.000 2.458 305 Q HA 0.393 4.734 4.340 0.002 0.000 0.282 305 Q C -0.756 175.353 176.000 0.182 0.000 1.106 305 Q CA -1.132 54.764 55.803 0.155 0.000 0.814 305 Q CB 1.913 30.730 28.738 0.133 0.000 1.425 305 Q HN -0.099 nan 8.270 nan 0.000 0.437 306 K N 0.144 120.613 120.400 0.115 0.000 2.245 306 K HA 0.658 4.979 4.320 0.002 0.000 0.234 306 K C -0.369 176.317 176.600 0.144 0.000 1.021 306 K CA -0.676 55.683 56.287 0.121 0.000 0.898 306 K CB 0.912 33.433 32.500 0.035 0.000 1.163 306 K HN 0.738 nan 8.250 nan 0.000 0.459 307 A N 0.360 123.264 122.820 0.139 0.000 2.409 307 A HA 0.060 4.381 4.320 0.002 0.000 0.246 307 A C 0.601 178.328 177.584 0.239 0.000 1.099 307 A CA 0.205 52.316 52.037 0.123 0.000 0.789 307 A CB -0.269 18.742 19.000 0.019 0.000 1.053 307 A HN 0.611 nan 8.150 nan 0.000 0.503 308 Y N 0.854 121.157 120.300 0.005 0.000 2.114 308 Y HA -0.231 4.320 4.550 0.000 0.000 0.282 308 Y C 3.028 178.934 175.900 0.010 0.000 1.165 308 Y CA 1.923 60.024 58.100 0.001 0.000 1.148 308 Y CB -1.336 37.123 38.460 -0.002 0.000 0.972 308 Y HN 0.737 nan 8.280 nan 0.000 0.504 309 S N -0.672 115.139 115.700 0.186 0.000 2.528 309 S HA -0.099 4.372 4.470 0.002 0.000 0.244 309 S C 1.273 175.936 174.600 0.105 0.000 0.982 309 S CA 1.104 59.373 58.200 0.115 0.000 0.953 309 S CB -0.671 62.574 63.200 0.074 0.000 0.754 309 S HN 0.485 nan 8.310 nan 0.000 0.529 310 L N -0.734 120.559 121.223 0.116 0.000 3.229 310 L HA 0.483 4.824 4.340 0.002 0.000 0.286 310 L C 1.895 178.826 176.870 0.103 0.000 1.239 310 L CA -0.122 54.792 54.840 0.123 0.000 1.035 310 L CB 0.332 42.454 42.059 0.104 0.000 1.408 310 L HN 0.176 nan 8.230 nan 0.000 0.593 311 R N -0.143 120.381 120.500 0.040 0.000 2.561 311 R HA 0.286 4.627 4.340 0.002 0.000 0.213 311 R C 1.446 177.653 176.300 -0.156 0.000 0.885 311 R CA 0.756 56.796 56.100 -0.100 0.000 1.002 311 R CB 0.494 30.766 30.300 -0.047 0.000 1.432 311 R HN 0.133 nan 8.270 nan 0.000 0.651 312 A N 0.711 123.490 122.820 -0.067 0.000 2.415 312 A HA 0.177 4.498 4.320 0.002 0.000 0.248 312 A C 1.168 178.757 177.584 0.010 0.000 1.299 312 A CA -0.067 51.925 52.037 -0.074 0.000 0.899 312 A CB -0.221 18.709 19.000 -0.116 0.000 0.997 312 A HN 0.170 nan 8.150 nan 0.000 0.506 313 I N 0.713 121.327 120.570 0.073 0.000 2.151 313 I HA -0.169 4.002 4.170 0.002 0.000 0.243 313 I C -0.596 175.590 176.117 0.116 0.000 1.080 313 I CA 1.772 63.153 61.300 0.136 0.000 1.339 313 I CB -1.072 37.095 38.000 0.279 0.000 1.039 313 I HN 0.192 nan 8.210 nan 0.000 0.409 314 P HA -0.170 nan 4.420 nan 0.000 0.215 314 P C 1.610 178.966 177.300 0.094 0.000 1.153 314 P CA 1.359 64.513 63.100 0.089 0.000 0.853 314 P CB 0.014 31.772 31.700 0.097 0.000 0.788 315 Q N -0.835 119.017 119.800 0.087 0.000 2.016 315 Q HA -0.095 4.246 4.340 0.002 0.000 0.200 315 Q C 2.156 178.158 176.000 0.003 0.000 0.978 315 Q CA 1.416 57.245 55.803 0.044 0.000 0.833 315 Q CB -1.476 27.259 28.738 -0.005 0.000 0.895 315 Q HN 0.082 nan 8.270 nan 0.000 0.427 316 V N -0.398 119.518 119.914 0.004 0.000 2.255 316 V HA -0.184 3.937 4.120 0.002 0.000 0.243 316 V C 2.131 178.221 176.094 -0.007 0.000 1.038 316 V CA 1.474 63.771 62.300 -0.004 0.000 1.008 316 V CB -0.700 31.130 31.823 0.012 0.000 0.645 316 V HN 0.166 nan 8.190 nan 0.000 0.449 317 V N 1.243 121.163 119.914 0.009 0.000 2.490 317 V HA -0.167 3.954 4.120 0.002 0.000 0.250 317 V C 2.618 178.697 176.094 -0.025 0.000 1.061 317 V CA 2.037 64.336 62.300 -0.002 0.000 1.064 317 V CB -1.550 30.282 31.823 0.015 0.000 0.670 317 V HN 0.618 nan 8.190 nan 0.000 0.461 318 G N -0.119 108.676 108.800 -0.007 0.000 2.418 318 G HA2 -0.195 3.766 3.960 0.002 0.000 0.217 318 G HA3 -0.195 3.766 3.960 0.002 0.000 0.217 318 G C 1.762 176.629 174.900 -0.054 0.000 1.158 318 G CA 0.975 46.070 45.100 -0.009 0.000 0.771 318 G HN 0.608 nan 8.290 nan 0.000 0.545 319 A N 0.039 122.818 122.820 -0.068 0.000 1.972 319 A HA 0.102 4.423 4.320 0.002 0.000 0.219 319 A C 2.585 180.110 177.584 -0.098 0.000 1.169 319 A CA 1.753 53.725 52.037 -0.107 0.000 0.635 319 A CB -0.487 18.445 19.000 -0.113 0.000 0.810 319 A HN 0.257 nan 8.150 nan 0.000 0.446 320 V N -0.216 119.649 119.914 -0.083 0.000 2.307 320 V HA -0.247 3.874 4.120 0.002 0.000 0.245 320 V C 2.609 178.613 176.094 -0.149 0.000 1.045 320 V CA 2.164 64.417 62.300 -0.078 0.000 1.024 320 V CB -0.778 31.016 31.823 -0.048 0.000 0.651 320 V HN 0.524 nan 8.190 nan 0.000 0.449 321 R N -0.123 120.239 120.500 -0.230 0.000 2.083 321 R HA -0.186 4.155 4.340 0.002 0.000 0.237 321 R C 2.166 178.024 176.300 -0.736 0.000 1.137 321 R CA 1.891 57.668 56.100 -0.539 0.000 0.951 321 R CB -0.494 29.508 30.300 -0.497 0.000 0.851 321 R HN 0.517 nan 8.270 nan 0.000 0.434 322 D N -0.412 119.796 120.400 -0.319 0.000 2.133 322 D HA -0.135 4.506 4.640 0.002 0.000 0.195 322 D C 1.776 178.080 176.300 0.007 0.000 0.997 322 D CA 1.637 55.601 54.000 -0.060 0.000 0.840 322 D CB -0.264 40.538 40.800 0.002 0.000 0.947 322 D HN 0.231 nan 8.370 nan 0.000 0.452 323 T N 1.079 115.612 114.554 -0.034 0.000 2.746 323 T HA -0.065 4.286 4.350 0.002 0.000 0.267 323 T C 2.243 177.021 174.700 0.130 0.000 1.039 323 T CA 0.576 62.717 62.100 0.069 0.000 1.142 323 T CB -0.228 68.666 68.868 0.042 0.000 0.866 323 T HN 0.142 nan 8.240 nan 0.000 0.444 324 L N -0.443 120.781 121.223 0.001 0.000 2.141 324 L HA -0.059 4.282 4.340 0.002 0.000 0.209 324 L C 2.463 179.424 176.870 0.153 0.000 1.094 324 L CA 1.117 55.979 54.840 0.035 0.000 0.763 324 L CB -0.664 41.362 42.059 -0.056 0.000 0.908 324 L HN 0.229 nan 8.230 nan 0.000 0.437 325 Y N -0.641 119.739 120.300 0.133 0.000 2.163 325 Y HA -0.258 4.293 4.550 0.002 0.000 0.288 325 Y C 2.827 178.838 175.900 0.185 0.000 1.136 325 Y CA 1.350 59.527 58.100 0.128 0.000 1.147 325 Y CB -1.153 37.371 38.460 0.107 0.000 0.987 325 Y HN 0.233 nan 8.280 nan 0.000 0.509 326 H N -0.036 119.212 119.070 0.297 0.000 2.319 326 H HA -0.130 4.427 4.556 0.003 0.000 0.299 326 H C 2.207 177.682 175.328 0.245 0.000 1.092 326 H CA 1.900 58.114 56.048 0.276 0.000 1.302 326 H CB -0.292 29.606 29.762 0.227 0.000 1.373 326 H HN 0.204 nan 8.280 nan 0.000 0.497 327 A N 0.901 123.822 122.820 0.169 0.000 1.883 327 A HA -0.211 4.110 4.320 0.002 0.000 0.217 327 A C 2.482 180.096 177.584 0.049 0.000 1.186 327 A CA 1.786 53.863 52.037 0.067 0.000 0.624 327 A CB -0.803 18.276 19.000 0.133 0.000 0.822 327 A HN 0.543 nan 8.150 nan 0.000 0.444 328 R N -1.213 119.360 120.500 0.122 0.000 2.120 328 R HA -0.209 4.132 4.340 0.002 0.000 0.234 328 R C 2.143 178.521 176.300 0.129 0.000 1.123 328 R CA 1.800 57.971 56.100 0.119 0.000 0.975 328 R CB -0.534 29.860 30.300 0.156 0.000 0.866 328 R HN 0.865 nan 8.270 nan 0.000 0.446 329 H N 0.110 119.186 119.070 0.009 0.000 2.326 329 H HA -0.070 4.487 4.556 0.002 0.000 0.301 329 H C 1.376 176.672 175.328 -0.054 0.000 1.081 329 H CA 1.159 57.197 56.048 -0.016 0.000 1.334 329 H CB 0.327 30.084 29.762 -0.009 0.000 1.385 329 H HN 0.053 nan 8.280 nan 0.000 0.504 330 K N 0.703 120.994 120.400 -0.181 0.000 2.057 330 K HA -0.089 4.232 4.320 0.002 0.000 0.206 330 K C 2.461 179.003 176.600 -0.098 0.000 1.050 330 K CA 0.590 56.733 56.287 -0.240 0.000 0.935 330 K CB -0.303 32.047 32.500 -0.251 0.000 0.715 330 K HN 0.373 nan 8.250 nan 0.000 0.439 331 L N 0.520 121.719 121.223 -0.040 0.000 2.046 331 L HA -0.119 4.222 4.340 0.002 0.000 0.208 331 L C 2.829 179.703 176.870 0.007 0.000 1.077 331 L CA 1.093 55.926 54.840 -0.011 0.000 0.747 331 L CB -0.353 41.711 42.059 0.009 0.000 0.896 331 L HN 0.172 nan 8.230 nan 0.000 0.432 332 R N 0.595 121.115 120.500 0.032 0.000 2.081 332 R HA -0.169 4.172 4.340 0.002 0.000 0.235 332 R C 2.293 178.615 176.300 0.036 0.000 1.131 332 R CA 1.541 57.670 56.100 0.047 0.000 0.960 332 R CB -0.207 30.144 30.300 0.085 0.000 0.856 332 R HN 0.310 nan 8.270 nan 0.000 0.436 333 I N 0.354 120.938 120.570 0.023 0.000 2.202 333 I HA -0.233 3.938 4.170 0.002 0.000 0.242 333 I C 2.400 178.513 176.117 -0.007 0.000 1.091 333 I CA 1.343 62.645 61.300 0.004 0.000 1.368 333 I CB -0.324 37.649 38.000 -0.044 0.000 1.058 333 I HN 0.244 nan 8.210 nan 0.000 0.410 334 E N 1.523 121.711 120.200 -0.020 0.000 2.058 334 E HA -0.217 4.134 4.350 0.002 0.000 0.194 334 E C 2.178 178.778 176.600 -0.001 0.000 0.997 334 E CA 1.489 57.880 56.400 -0.015 0.000 0.801 334 E CB -0.369 29.317 29.700 -0.023 0.000 0.746 334 E HN 0.351 nan 8.360 nan 0.000 0.450 335 L N 0.595 121.820 121.223 0.003 0.000 2.051 335 L HA -0.217 4.124 4.340 0.002 0.000 0.214 335 L C 1.375 178.253 176.870 0.014 0.000 1.076 335 L CA 1.336 56.181 54.840 0.007 0.000 0.758 335 L CB -0.403 41.662 42.059 0.010 0.000 0.890 335 L HN 0.201 nan 8.230 nan 0.000 0.433 336 N N -0.252 118.459 118.700 0.019 0.000 2.295 336 N HA 0.034 4.775 4.740 0.002 0.000 0.221 336 N C 0.211 175.740 175.510 0.032 0.000 1.129 336 N CA 0.189 53.255 53.050 0.028 0.000 0.836 336 N CB 0.329 38.835 38.487 0.030 0.000 1.040 336 N HN 0.296 nan 8.380 nan 0.000 0.494 337 S N -0.755 114.960 115.700 0.024 0.000 2.681 337 S HA 0.674 5.145 4.470 0.002 0.000 0.299 337 S C 0.094 174.716 174.600 0.037 0.000 1.113 337 S CA -0.850 57.363 58.200 0.022 0.000 1.013 337 S CB 2.356 65.558 63.200 0.003 0.000 1.076 337 S HN 0.079 nan 8.310 nan 0.000 0.534 338 A N 2.719 125.561 122.820 0.036 0.000 3.078 338 A HA 0.283 4.604 4.320 0.002 0.000 0.279 338 A C 0.583 178.193 177.584 0.043 0.000 1.594 338 A CA -0.944 51.124 52.037 0.053 0.000 1.301 338 A CB -1.153 17.878 19.000 0.052 0.000 1.162 338 A HN 0.776 nan 8.150 nan 0.000 0.585 339 N N 1.606 120.333 118.700 0.044 0.000 2.605 339 N HA 0.225 4.966 4.740 0.002 0.000 0.258 339 N C -0.966 174.602 175.510 0.095 0.000 1.156 339 N CA 0.055 53.140 53.050 0.059 0.000 1.008 339 N CB 0.813 39.329 38.487 0.047 0.000 1.354 339 N HN 0.515 nan 8.380 nan 0.000 0.509 340 D N 0.758 121.231 120.400 0.121 0.000 2.725 340 D HA 0.405 5.046 4.640 0.002 0.000 0.292 340 D C -1.905 174.507 176.300 0.187 0.000 1.288 340 D CA -0.550 53.540 54.000 0.149 0.000 0.784 340 D CB 1.390 42.235 40.800 0.075 0.000 1.308 340 D HN 0.447 nan 8.370 nan 0.000 0.429 341 N N -0.226 118.588 118.700 0.190 0.000 2.636 341 N HA 0.503 5.244 4.740 0.002 0.000 0.261 341 N C -2.965 172.593 175.510 0.081 0.000 1.195 341 N CA -1.010 52.145 53.050 0.176 0.000 0.902 341 N CB 2.878 41.586 38.487 0.369 0.000 1.627 341 N HN 0.100 nan 8.380 nan 0.000 0.491 342 P HA 0.389 nan 4.420 nan 0.000 0.282 342 P C -0.881 176.237 177.300 -0.302 0.000 1.287 342 P CA -0.447 62.470 63.100 -0.305 0.000 0.792 342 P CB 1.415 32.660 31.700 -0.757 0.000 1.163 343 L N -0.965 120.068 121.223 -0.317 0.000 2.301 343 L HA 0.551 4.893 4.340 0.002 0.000 0.264 343 L C -0.492 175.962 176.870 -0.693 0.000 1.016 343 L CA -0.805 53.822 54.840 -0.355 0.000 0.821 343 L CB 1.275 43.257 42.059 -0.127 0.000 1.346 343 L HN 0.203 nan 8.230 nan 0.000 0.429 344 F N 0.701 120.471 119.950 -0.299 0.000 2.518 344 F HA 0.601 5.129 4.527 0.002 0.000 0.323 344 F C -0.513 175.031 175.800 -0.425 0.000 1.129 344 F CA -0.469 57.407 58.000 -0.207 0.000 0.920 344 F CB 1.581 40.560 39.000 -0.035 0.000 1.160 344 F HN 0.044 nan 8.300 nan 0.000 0.440 345 F N 0.054 120.205 119.950 0.335 0.000 2.593 345 F HA 0.410 4.938 4.527 0.002 0.000 0.320 345 F C -0.034 175.883 175.800 0.195 0.000 1.060 345 F CA -1.490 56.654 58.000 0.240 0.000 0.940 345 F CB 1.415 40.494 39.000 0.131 0.000 1.268 345 F HN 0.490 nan 8.300 nan 0.000 0.475 346 E N 0.218 120.623 120.200 0.341 0.000 2.502 346 E HA 0.281 4.633 4.350 0.002 0.000 0.261 346 E C 0.922 177.633 176.600 0.186 0.000 0.974 346 E CA 0.371 56.895 56.400 0.207 0.000 0.936 346 E CB 0.342 30.136 29.700 0.155 0.000 0.926 346 E HN 0.948 nan 8.360 nan 0.000 0.459 347 G N 3.283 112.168 108.800 0.142 0.000 2.473 347 G HA2 -0.294 3.667 3.960 0.002 0.000 0.307 347 G HA3 -0.294 3.667 3.960 0.002 0.000 0.307 347 G C -0.319 174.666 174.900 0.143 0.000 0.937 347 G CA 0.701 45.872 45.100 0.119 0.000 0.947 347 G HN 0.432 nan 8.290 nan 0.000 0.513 348 K N -0.230 120.295 120.400 0.208 0.000 2.340 348 K HA 0.428 4.749 4.320 0.002 0.000 0.244 348 K C 0.320 177.080 176.600 0.267 0.000 0.973 348 K CA -0.858 55.569 56.287 0.235 0.000 0.828 348 K CB 1.483 34.177 32.500 0.324 0.000 1.226 348 K HN 0.195 nan 8.250 nan 0.000 0.437 349 E N 1.123 121.466 120.200 0.238 0.000 2.374 349 E HA 0.128 4.479 4.350 0.002 0.000 0.260 349 E C 0.067 176.848 176.600 0.302 0.000 1.101 349 E CA -0.673 55.870 56.400 0.240 0.000 0.907 349 E CB 0.573 30.378 29.700 0.175 0.000 1.014 349 E HN 0.288 nan 8.360 nan 0.000 0.427 350 I N 2.214 122.965 120.570 0.301 0.000 2.769 350 I HA -0.126 4.045 4.170 0.002 0.000 0.285 350 I C 0.553 176.774 176.117 0.172 0.000 1.173 350 I CA 0.450 61.833 61.300 0.138 0.000 1.389 350 I CB -0.977 37.152 38.000 0.215 0.000 1.404 350 I HN 0.261 nan 8.210 nan 0.000 0.544 351 F N 7.606 127.545 119.950 -0.018 0.000 2.533 351 F HA 0.172 4.700 4.527 0.001 0.000 0.378 351 F C 0.219 175.990 175.800 -0.049 0.000 1.070 351 F CA 0.002 58.045 58.000 0.071 0.000 1.172 351 F CB -0.191 38.936 39.000 0.212 0.000 1.085 351 F HN 0.407 nan 8.300 nan 0.000 0.552 352 H N 4.854 123.508 119.070 -0.694 0.000 2.581 352 H HA 0.590 5.147 4.556 0.002 0.000 0.308 352 H C 0.470 175.263 175.328 -0.892 0.000 1.040 352 H CA -0.018 55.692 56.048 -0.564 0.000 1.231 352 H CB 1.053 30.649 29.762 -0.276 0.000 1.396 352 H HN 0.801 nan 8.280 nan 0.000 0.467 353 G N 0.822 109.206 108.800 -0.694 0.000 3.137 353 G HA2 0.570 4.532 3.960 0.002 0.000 0.196 353 G HA3 0.570 4.532 3.960 0.002 0.000 0.196 353 G C -0.881 173.885 174.900 -0.224 0.000 1.135 353 G CA -0.211 44.603 45.100 -0.476 0.000 0.803 353 G HN 0.570 nan 8.290 nan 0.000 0.619 354 A N -0.476 122.160 122.820 -0.308 0.000 2.843 354 A HA 0.405 4.726 4.320 0.002 0.000 0.248 354 A C 0.484 177.563 177.584 -0.841 0.000 0.904 354 A CA -0.267 51.208 52.037 -0.936 0.000 1.091 354 A CB -0.523 18.082 19.000 -0.659 0.000 1.208 354 A HN 0.476 nan 8.150 nan 0.000 0.476 355 N N 0.014 118.492 118.700 -0.370 0.000 2.571 355 N HA -0.036 4.705 4.740 0.002 0.000 0.189 355 N C 1.020 176.466 175.510 -0.106 0.000 1.154 355 N CA 1.063 54.023 53.050 -0.151 0.000 0.907 355 N CB -0.210 38.291 38.487 0.022 0.000 0.977 355 N HN 0.774 nan 8.380 nan 0.000 0.449 356 F N -1.169 118.840 119.950 0.097 0.000 2.743 356 F HA 0.191 4.719 4.527 0.001 0.000 0.297 356 F C 0.955 176.785 175.800 0.048 0.000 1.131 356 F CA -0.228 57.810 58.000 0.063 0.000 1.426 356 F CB -0.767 38.272 39.000 0.064 0.000 1.116 356 F HN 0.021 nan 8.300 nan 0.000 0.583 357 H N 1.955 120.938 119.070 -0.145 0.000 2.955 357 H HA 0.252 4.809 4.556 0.001 0.000 0.290 357 H C 1.021 176.329 175.328 -0.033 0.000 1.047 357 H CA 0.287 56.336 56.048 0.001 0.000 1.484 357 H CB 1.377 31.040 29.762 -0.165 0.000 1.501 357 H HN 0.379 nan 8.280 nan 0.000 0.521 358 G N 3.931 112.706 108.800 -0.043 0.000 3.327 358 G HA2 -0.105 3.856 3.960 0.002 0.000 0.240 358 G HA3 -0.105 3.856 3.960 0.002 0.000 0.240 358 G C 1.262 176.135 174.900 -0.046 0.000 1.222 358 G CA -0.217 44.869 45.100 -0.024 0.000 0.871 358 G HN 0.525 nan 8.290 nan 0.000 0.525 359 Q N 1.574 121.412 119.800 0.063 0.000 2.077 359 Q HA -0.099 4.243 4.340 0.002 0.000 0.206 359 Q C 0.263 176.045 176.000 -0.364 0.000 0.989 359 Q CA 2.176 57.840 55.803 -0.231 0.000 0.853 359 Q CB -0.581 27.988 28.738 -0.281 0.000 0.907 359 Q HN 0.388 nan 8.270 nan 0.000 0.418 360 P HA -0.184 nan 4.420 nan 0.000 0.216 360 P C 0.872 178.131 177.300 -0.068 0.000 1.153 360 P CA 1.267 64.317 63.100 -0.083 0.000 0.858 360 P CB -0.062 31.608 31.700 -0.051 0.000 0.789 361 I N -0.572 119.949 120.570 -0.082 0.000 2.703 361 I HA -0.003 4.168 4.170 0.002 0.000 0.259 361 I C 2.530 178.597 176.117 -0.082 0.000 1.151 361 I CA 0.543 61.803 61.300 -0.067 0.000 1.470 361 I CB -1.911 36.061 38.000 -0.047 0.000 1.112 361 I HN -0.109 nan 8.210 nan 0.000 0.437 362 A N 1.107 123.857 122.820 -0.117 0.000 1.883 362 A HA -0.207 4.114 4.320 0.002 0.000 0.217 362 A C 2.135 179.666 177.584 -0.089 0.000 1.186 362 A CA 1.479 53.453 52.037 -0.105 0.000 0.624 362 A CB -0.804 18.109 19.000 -0.144 0.000 0.822 362 A HN 0.242 nan 8.150 nan 0.000 0.444 363 F N 0.113 119.893 119.950 -0.283 0.000 2.075 363 F HA -0.080 4.449 4.527 0.003 0.000 0.297 363 F C 2.931 178.053 175.800 -1.130 0.000 1.113 363 F CA 0.364 57.948 58.000 -0.693 0.000 1.218 363 F CB -1.347 37.365 39.000 -0.481 0.000 0.984 363 F HN 0.285 nan 8.300 nan 0.000 0.472 364 A N -0.092 122.535 122.820 -0.321 0.000 1.917 364 A HA -0.252 4.069 4.320 0.002 0.000 0.219 364 A C 2.222 179.751 177.584 -0.091 0.000 1.182 364 A CA 2.155 54.111 52.037 -0.134 0.000 0.633 364 A CB -0.638 18.352 19.000 -0.017 0.000 0.819 364 A HN 0.236 nan 8.150 nan 0.000 0.448 365 M N -0.590 118.956 119.600 -0.091 0.000 2.200 365 M HA -0.054 4.427 4.480 0.002 0.000 0.265 365 M C 1.403 177.701 176.300 -0.003 0.000 1.066 365 M CA 1.146 56.436 55.300 -0.016 0.000 1.127 365 M CB -1.574 31.023 32.600 -0.004 0.000 1.379 365 M HN 0.299 nan 8.290 nan 0.000 0.420 366 D N 0.205 120.560 120.400 -0.075 0.000 2.144 366 D HA -0.114 4.527 4.640 0.002 0.000 0.199 366 D C 1.832 178.238 176.300 0.178 0.000 0.984 366 D CA 1.087 55.101 54.000 0.023 0.000 0.834 366 D CB -0.131 40.679 40.800 0.017 0.000 0.955 366 D HN 0.217 nan 8.370 nan 0.000 0.465 367 F N 0.251 120.256 119.950 0.091 0.000 2.259 367 F HA -0.052 4.476 4.527 0.002 0.000 0.298 367 F C 2.454 178.286 175.800 0.055 0.000 1.088 367 F CA 0.057 58.093 58.000 0.061 0.000 1.358 367 F CB -1.196 37.852 39.000 0.080 0.000 1.040 367 F HN -0.132 nan 8.300 nan 0.000 0.505 368 V N -0.374 119.676 119.914 0.226 0.000 2.358 368 V HA -0.267 3.854 4.120 0.002 0.000 0.246 368 V C 2.303 178.462 176.094 0.108 0.000 1.047 368 V CA 2.273 64.658 62.300 0.140 0.000 1.035 368 V CB -1.204 30.680 31.823 0.102 0.000 0.658 368 V HN 0.332 nan 8.190 nan 0.000 0.452 369 T N 0.468 115.085 114.554 0.105 0.000 2.684 369 T HA -0.183 4.168 4.350 0.002 0.000 0.267 369 T C 1.813 176.562 174.700 0.082 0.000 1.036 369 T CA 1.981 64.132 62.100 0.084 0.000 1.148 369 T CB -0.300 68.617 68.868 0.081 0.000 0.863 369 T HN 0.349 nan 8.240 nan 0.000 0.436 370 I N 1.163 121.796 120.570 0.104 0.000 2.179 370 I HA -0.184 3.987 4.170 0.002 0.000 0.242 370 I C 2.951 179.101 176.117 0.055 0.000 1.088 370 I CA 1.178 62.526 61.300 0.079 0.000 1.357 370 I CB -0.541 37.513 38.000 0.091 0.000 1.051 370 I HN 0.199 nan 8.210 nan 0.000 0.409 371 A N 0.990 123.847 122.820 0.062 0.000 1.883 371 A HA -0.171 4.150 4.320 0.002 0.000 0.217 371 A C 2.281 179.883 177.584 0.030 0.000 1.186 371 A CA 1.502 53.559 52.037 0.033 0.000 0.624 371 A CB -0.932 18.089 19.000 0.035 0.000 0.822 371 A HN 0.404 nan 8.150 nan 0.000 0.444 372 L N -0.685 120.563 121.223 0.042 0.000 2.275 372 L HA -0.120 4.221 4.340 0.002 0.000 0.215 372 L C 2.624 179.517 176.870 0.038 0.000 1.119 372 L CA 1.422 56.285 54.840 0.038 0.000 0.790 372 L CB -0.724 41.362 42.059 0.045 0.000 0.919 372 L HN 0.358 nan 8.230 nan 0.000 0.443 373 T N -1.203 113.375 114.554 0.040 0.000 2.777 373 T HA -0.242 4.110 4.350 0.002 0.000 0.266 373 T C 1.839 176.557 174.700 0.031 0.000 1.040 373 T CA 1.310 63.432 62.100 0.037 0.000 1.141 373 T CB -0.072 68.819 68.868 0.038 0.000 0.868 373 T HN 0.190 nan 8.240 nan 0.000 0.444 374 Q N 0.621 120.437 119.800 0.026 0.000 2.119 374 Q HA 0.018 4.359 4.340 0.002 0.000 0.201 374 Q C 2.075 178.090 176.000 0.023 0.000 0.972 374 Q CA 0.948 56.764 55.803 0.022 0.000 0.847 374 Q CB -0.634 28.112 28.738 0.012 0.000 0.903 374 Q HN 0.398 nan 8.270 nan 0.000 0.433 375 L N -0.324 120.913 121.223 0.023 0.000 2.042 375 L HA -0.046 4.295 4.340 0.002 0.000 0.210 375 L C 1.990 178.879 176.870 0.031 0.000 1.076 375 L CA 2.431 57.285 54.840 0.024 0.000 0.749 375 L CB -1.045 41.029 42.059 0.025 0.000 0.893 375 L HN 0.325 nan 8.230 nan 0.000 0.432 376 G N -1.571 107.249 108.800 0.034 0.000 2.408 376 G HA2 -0.160 3.801 3.960 0.002 0.000 0.217 376 G HA3 -0.160 3.801 3.960 0.002 0.000 0.217 376 G C 1.549 176.470 174.900 0.036 0.000 1.150 376 G CA 0.845 45.968 45.100 0.037 0.000 0.776 376 G HN 0.313 nan 8.290 nan 0.000 0.542 377 V N 0.772 120.706 119.914 0.033 0.000 2.332 377 V HA -0.165 3.956 4.120 0.002 0.000 0.248 377 V C 2.695 178.809 176.094 0.034 0.000 1.055 377 V CA 1.756 64.076 62.300 0.033 0.000 1.038 377 V CB -0.429 31.412 31.823 0.031 0.000 0.651 377 V HN 0.368 nan 8.190 nan 0.000 0.450 378 L N 0.736 121.980 121.223 0.034 0.000 2.056 378 L HA -0.031 4.310 4.340 0.002 0.000 0.207 378 L C 2.416 179.304 176.870 0.030 0.000 1.078 378 L CA 2.337 57.199 54.840 0.036 0.000 0.749 378 L CB -0.973 41.108 42.059 0.037 0.000 0.901 378 L HN 0.211 nan 8.230 nan 0.000 0.433 379 A N -0.955 121.882 122.820 0.027 0.000 1.902 379 A HA -0.206 4.115 4.320 0.002 0.000 0.217 379 A C 2.318 179.914 177.584 0.021 0.000 1.181 379 A CA 1.622 53.671 52.037 0.020 0.000 0.623 379 A CB -0.701 18.315 19.000 0.027 0.000 0.818 379 A HN 0.550 nan 8.150 nan 0.000 0.443 380 E N -0.047 120.171 120.200 0.030 0.000 2.110 380 E HA -0.187 4.165 4.350 0.002 0.000 0.193 380 E C 2.044 178.660 176.600 0.027 0.000 0.988 380 E CA 0.789 57.209 56.400 0.034 0.000 0.804 380 E CB -0.193 29.532 29.700 0.042 0.000 0.745 380 E HN 0.350 nan 8.360 nan 0.000 0.458 381 R N 0.356 120.871 120.500 0.025 0.000 2.148 381 R HA -0.046 4.295 4.340 0.002 0.000 0.227 381 R C 2.317 178.624 176.300 0.010 0.000 1.103 381 R CA 0.809 56.920 56.100 0.018 0.000 0.983 381 R CB -0.357 29.956 30.300 0.021 0.000 0.874 381 R HN 0.404 nan 8.270 nan 0.000 0.451 382 Q N -0.072 119.735 119.800 0.012 0.000 2.172 382 Q HA 0.002 4.343 4.340 0.002 0.000 0.200 382 Q C 2.151 178.143 176.000 -0.013 0.000 0.964 382 Q CA 0.912 56.717 55.803 0.003 0.000 0.855 382 Q CB -0.014 28.723 28.738 -0.002 0.000 0.918 382 Q HN 0.307 nan 8.270 nan 0.000 0.444 383 I N 0.969 121.534 120.570 -0.009 0.000 2.252 383 I HA -0.269 3.902 4.170 0.002 0.000 0.245 383 I C 2.131 178.238 176.117 -0.016 0.000 1.102 383 I CA 1.078 62.370 61.300 -0.013 0.000 1.385 383 I CB -0.268 37.740 38.000 0.014 0.000 1.064 383 I HN 0.243 nan 8.210 nan 0.000 0.414 384 N N 0.944 119.641 118.700 -0.004 0.000 2.205 384 N HA -0.236 4.505 4.740 0.002 0.000 0.186 384 N C 1.884 177.363 175.510 -0.051 0.000 1.015 384 N CA 1.211 54.253 53.050 -0.013 0.000 0.862 384 N CB -0.028 38.459 38.487 0.001 0.000 0.986 384 N HN 0.046 nan 8.380 nan 0.000 0.429 385 R N -0.101 120.373 120.500 -0.044 0.000 2.070 385 R HA -0.013 4.329 4.340 0.002 0.000 0.233 385 R C 2.088 178.343 176.300 -0.076 0.000 1.137 385 R CA 1.334 57.401 56.100 -0.056 0.000 0.945 385 R CB -1.049 29.247 30.300 -0.008 0.000 0.845 385 R HN 0.198 nan 8.270 nan 0.000 0.430 386 V N 0.141 120.018 119.914 -0.063 0.000 2.667 386 V HA -0.057 4.064 4.120 0.002 0.000 0.252 386 V C 1.760 177.778 176.094 -0.127 0.000 1.065 386 V CA 1.453 63.705 62.300 -0.080 0.000 1.083 386 V CB -0.132 31.639 31.823 -0.087 0.000 0.692 386 V HN 0.350 nan 8.190 nan 0.000 0.468 387 L N 0.009 121.150 121.223 -0.137 0.000 2.341 387 L HA 0.125 4.466 4.340 0.002 0.000 0.214 387 L C 1.019 177.627 176.870 -0.435 0.000 1.115 387 L CA 0.274 54.993 54.840 -0.202 0.000 0.820 387 L CB -0.326 41.697 42.059 -0.060 0.000 0.944 387 L HN 0.324 nan 8.230 nan 0.000 0.452 388 N N 1.016 119.522 118.700 -0.322 0.000 2.408 388 N HA 0.028 4.769 4.740 0.002 0.000 0.257 388 N C 1.177 176.516 175.510 -0.285 0.000 1.064 388 N CA -0.124 52.723 53.050 -0.339 0.000 0.952 388 N CB 1.172 39.553 38.487 -0.176 0.000 1.093 388 N HN 0.179 nan 8.380 nan 0.000 0.490 389 R N 3.235 123.535 120.500 -0.333 0.000 2.117 389 R HA -0.157 4.184 4.340 0.002 0.000 0.243 389 R C 0.611 176.718 176.300 -0.321 0.000 1.143 389 R CA 1.662 57.573 56.100 -0.316 0.000 0.968 389 R CB -0.580 29.508 30.300 -0.354 0.000 0.863 389 R HN 0.597 nan 8.270 nan 0.000 0.444 390 H N 0.005 118.972 119.070 -0.172 0.000 2.524 390 H HA 0.134 4.692 4.556 0.002 0.000 0.282 390 H C 1.507 176.676 175.328 -0.264 0.000 1.016 390 H CA 1.255 57.206 56.048 -0.163 0.000 1.270 390 H CB 0.231 29.921 29.762 -0.121 0.000 1.394 390 H HN 0.174 nan 8.280 nan 0.000 0.568 391 L N -0.702 120.391 121.223 -0.216 0.000 2.537 391 L HA 0.070 4.411 4.340 0.002 0.000 0.224 391 L C 2.040 178.574 176.870 -0.560 0.000 1.065 391 L CA 0.500 55.097 54.840 -0.405 0.000 0.860 391 L CB 0.036 41.940 42.059 -0.260 0.000 1.086 391 L HN 0.186 nan 8.230 nan 0.000 0.482 392 S N -0.865 114.649 115.700 -0.309 0.000 2.507 392 S HA -0.174 4.297 4.470 0.002 0.000 0.235 392 S C 0.758 175.387 174.600 0.049 0.000 0.988 392 S CA 0.472 58.596 58.200 -0.126 0.000 0.944 392 S CB -0.515 62.626 63.200 -0.098 0.000 0.762 392 S HN 0.526 nan 8.310 nan 0.000 0.526 393 Y N -0.266 119.995 120.300 -0.066 0.000 4.879 393 Y HA -0.201 4.350 4.550 0.002 0.000 0.247 393 Y C 1.420 177.308 175.900 -0.020 0.000 0.985 393 Y CA 0.474 58.557 58.100 -0.029 0.000 2.000 393 Y CB -1.655 36.790 38.460 -0.025 0.000 1.519 393 Y HN 0.576 nan 8.280 nan 0.000 0.613 394 G N -1.401 107.430 108.800 0.051 0.000 3.505 394 G HA2 -0.076 3.885 3.960 0.002 0.000 0.210 394 G HA3 -0.076 3.885 3.960 0.002 0.000 0.210 394 G C 0.115 175.009 174.900 -0.010 0.000 1.047 394 G CA -0.317 44.798 45.100 0.025 0.000 0.884 394 G HN 0.200 nan 8.290 nan 0.000 0.434 395 L N 3.213 124.428 121.223 -0.013 0.000 2.492 395 L HA 0.307 4.649 4.340 0.002 0.000 0.280 395 L C -1.277 175.559 176.870 -0.058 0.000 1.240 395 L CA -1.231 53.590 54.840 -0.032 0.000 0.831 395 L CB -0.138 41.898 42.059 -0.039 0.000 1.100 395 L HN 0.150 nan 8.230 nan 0.000 0.505 396 P HA 0.065 nan 4.420 nan 0.000 0.277 396 P C -1.000 176.263 177.300 -0.062 0.000 1.240 396 P CA -0.611 62.466 63.100 -0.039 0.000 0.798 396 P CB 0.491 32.191 31.700 0.001 0.000 0.979 397 E N 2.449 122.607 120.200 -0.070 0.000 2.529 397 E HA -0.122 4.229 4.350 0.002 0.000 0.259 397 E C -0.221 176.395 176.600 0.027 0.000 0.966 397 E CA -0.076 56.229 56.400 -0.159 0.000 0.937 397 E CB -0.458 29.216 29.700 -0.044 0.000 0.923 397 E HN 0.460 nan 8.360 nan 0.000 0.468 398 F N 1.142 121.099 119.950 0.012 0.000 3.093 398 F HA -0.278 4.249 4.527 0.001 0.000 0.283 398 F C 0.860 176.705 175.800 0.074 0.000 0.848 398 F CA 0.797 58.822 58.000 0.043 0.000 1.059 398 F CB -1.955 37.080 39.000 0.057 0.000 1.191 398 F HN 0.570 nan 8.300 nan 0.000 0.514 399 L N -2.081 119.203 121.223 0.102 0.000 3.634 399 L HA -0.235 4.106 4.340 0.002 0.000 0.423 399 L C 0.499 177.455 176.870 0.143 0.000 1.253 399 L CA 0.351 55.230 54.840 0.065 0.000 0.885 399 L CB -2.189 39.836 42.059 -0.057 0.000 1.789 399 L HN 0.255 nan 8.230 nan 0.000 0.904 400 V N -3.333 116.671 119.914 0.150 0.000 2.637 400 V HA 0.346 4.467 4.120 0.002 0.000 0.296 400 V C 1.336 177.468 176.094 0.063 0.000 1.046 400 V CA 0.547 62.925 62.300 0.130 0.000 1.066 400 V CB 1.606 33.513 31.823 0.139 0.000 0.968 400 V HN 0.340 nan 8.190 nan 0.000 0.483 401 S N 2.874 118.589 115.700 0.024 0.000 2.502 401 S HA 0.308 4.779 4.470 0.002 0.000 0.228 401 S C 1.205 175.765 174.600 -0.067 0.000 1.061 401 S CA 0.437 58.630 58.200 -0.012 0.000 0.935 401 S CB 0.149 63.342 63.200 -0.011 0.000 0.809 401 S HN 1.243 nan 8.310 nan 0.000 0.510 402 G N 1.917 110.617 108.800 -0.167 0.000 2.599 402 G HA2 0.322 4.283 3.960 0.002 0.000 0.264 402 G HA3 0.322 4.283 3.960 0.002 0.000 0.264 402 G C -0.880 173.982 174.900 -0.063 0.000 1.200 402 G CA -0.565 44.361 45.100 -0.290 0.000 0.896 402 G HN 0.123 nan 8.290 nan 0.000 0.536 403 D N 1.363 121.777 120.400 0.023 0.000 2.533 403 D HA 0.100 4.741 4.640 0.002 0.000 0.236 403 D C -1.789 174.596 176.300 0.143 0.000 1.137 403 D CA 0.011 54.064 54.000 0.088 0.000 0.867 403 D CB 1.102 41.964 40.800 0.105 0.000 1.170 403 D HN 0.106 nan 8.370 nan 0.000 0.474 404 P HA 0.181 nan 4.420 nan 0.000 0.278 404 P C 0.922 178.289 177.300 0.111 0.000 1.258 404 P CA -0.188 62.987 63.100 0.125 0.000 0.811 404 P CB 1.325 33.091 31.700 0.109 0.000 1.063 405 G N 0.604 109.463 108.800 0.099 0.000 3.444 405 G HA2 -0.364 3.597 3.960 0.002 0.000 0.222 405 G HA3 -0.364 3.597 3.960 0.002 0.000 0.222 405 G C 0.861 175.783 174.900 0.036 0.000 1.358 405 G CA 0.532 45.667 45.100 0.058 0.000 0.880 405 G HN 0.546 nan 8.290 nan 0.000 0.555 406 L N 1.666 122.924 121.223 0.060 0.000 2.141 406 L HA 0.328 4.670 4.340 0.002 0.000 0.209 406 L C 1.037 177.843 176.870 -0.106 0.000 1.094 406 L CA 1.935 56.778 54.840 0.004 0.000 0.763 406 L CB -0.414 41.689 42.059 0.073 0.000 0.908 406 L HN 0.580 nan 8.230 nan 0.000 0.437 407 H N -2.324 116.755 119.070 0.016 0.000 2.524 407 H HA 0.412 4.969 4.556 0.002 0.000 0.353 407 H C 0.880 176.212 175.328 0.007 0.000 1.136 407 H CA -0.023 56.033 56.048 0.014 0.000 1.193 407 H CB 1.745 31.525 29.762 0.030 0.000 1.558 407 H HN -0.169 nan 8.280 nan 0.000 0.515 408 S N 1.448 117.192 115.700 0.073 0.000 2.503 408 S HA 0.200 4.671 4.470 0.002 0.000 0.215 408 S C 1.406 176.031 174.600 0.040 0.000 1.003 408 S CA 0.389 58.578 58.200 -0.017 0.000 0.910 408 S CB 0.180 63.315 63.200 -0.108 0.000 0.790 408 S HN 1.089 nan 8.310 nan 0.000 0.514 409 G N 1.898 110.767 108.800 0.115 0.000 2.561 409 G HA2 -0.322 3.639 3.960 0.002 0.000 0.289 409 G HA3 -0.322 3.639 3.960 0.002 0.000 0.289 409 G C 0.296 175.265 174.900 0.115 0.000 1.169 409 G CA 0.476 45.688 45.100 0.187 0.000 0.980 409 G HN 0.390 nan 8.290 nan 0.000 0.550 410 F N 3.220 123.208 119.950 0.064 0.000 2.765 410 F HA 0.498 5.026 4.527 0.001 0.000 0.302 410 F C 2.669 178.443 175.800 -0.043 0.000 1.111 410 F CA 1.150 59.162 58.000 0.019 0.000 1.359 410 F CB -0.177 38.849 39.000 0.045 0.000 1.097 410 F HN 0.640 nan 8.300 nan 0.000 0.577 411 A N 0.541 123.378 122.820 0.028 0.000 1.869 411 A HA -0.233 4.089 4.320 0.002 0.000 0.218 411 A C 2.631 179.908 177.584 -0.511 0.000 1.203 411 A CA 2.239 54.098 52.037 -0.297 0.000 0.638 411 A CB -1.462 17.118 19.000 -0.701 0.000 0.831 411 A HN 0.406 nan 8.150 nan 0.000 0.450 412 G N -1.311 107.281 108.800 -0.347 0.000 2.443 412 G HA2 0.117 4.078 3.960 0.002 0.000 0.219 412 G HA3 0.117 4.078 3.960 0.002 0.000 0.219 412 G C 1.556 176.279 174.900 -0.295 0.000 1.131 412 G CA 1.217 46.142 45.100 -0.292 0.000 0.775 412 G HN 0.900 nan 8.290 nan 0.000 0.547 413 A N 0.080 122.753 122.820 -0.245 0.000 2.119 413 A HA 0.038 4.359 4.320 0.002 0.000 0.217 413 A C 2.145 179.673 177.584 -0.093 0.000 1.153 413 A CA 1.640 53.588 52.037 -0.148 0.000 0.692 413 A CB -0.275 18.624 19.000 -0.168 0.000 0.799 413 A HN 0.472 nan 8.150 nan 0.000 0.458 414 Q N -1.454 118.222 119.800 -0.206 0.000 2.230 414 Q HA -0.182 4.159 4.340 0.002 0.000 0.202 414 Q C 1.392 177.353 176.000 -0.065 0.000 0.963 414 Q CA 1.294 57.022 55.803 -0.124 0.000 0.866 414 Q CB -0.222 28.437 28.738 -0.131 0.000 0.931 414 Q HN 0.716 nan 8.270 nan 0.000 0.452 415 Y N 1.029 121.354 120.300 0.042 0.000 2.128 415 Y HA -0.145 4.406 4.550 0.001 0.000 0.284 415 Y C -0.523 175.387 175.900 0.017 0.000 1.154 415 Y CA 1.007 59.120 58.100 0.022 0.000 1.149 415 Y CB -1.895 36.564 38.460 -0.001 0.000 0.976 415 Y HN 0.323 nan 8.280 nan 0.000 0.505 416 P HA -0.115 nan 4.420 nan 0.000 0.220 416 P C 1.249 178.595 177.300 0.077 0.000 1.148 416 P CA 1.989 65.143 63.100 0.090 0.000 0.803 416 P CB -0.050 31.682 31.700 0.052 0.000 0.782 417 A N 0.379 123.245 122.820 0.076 0.000 1.855 417 A HA -0.118 4.203 4.320 0.002 0.000 0.215 417 A C 2.370 179.998 177.584 0.073 0.000 1.191 417 A CA 2.406 54.484 52.037 0.068 0.000 0.613 417 A CB -1.886 17.153 19.000 0.064 0.000 0.829 417 A HN 0.167 nan 8.150 nan 0.000 0.442 418 T N 0.615 115.224 114.554 0.093 0.000 2.720 418 T HA -0.087 4.264 4.350 0.002 0.000 0.268 418 T C 2.173 176.921 174.700 0.080 0.000 1.037 418 T CA 1.754 63.911 62.100 0.095 0.000 1.144 418 T CB -0.510 68.442 68.868 0.141 0.000 0.864 418 T HN 0.598 nan 8.240 nan 0.000 0.444 419 A N 1.119 123.991 122.820 0.086 0.000 1.933 419 A HA 0.038 4.359 4.320 0.002 0.000 0.218 419 A C 2.309 179.921 177.584 0.046 0.000 1.175 419 A CA 1.118 53.191 52.037 0.060 0.000 0.628 419 A CB -0.806 18.229 19.000 0.058 0.000 0.814 419 A HN 0.484 nan 8.150 nan 0.000 0.444 420 L N -0.564 120.688 121.223 0.049 0.000 2.141 420 L HA -0.141 4.200 4.340 0.002 0.000 0.209 420 L C 2.478 179.371 176.870 0.040 0.000 1.094 420 L CA 0.791 55.655 54.840 0.042 0.000 0.763 420 L CB -0.488 41.597 42.059 0.043 0.000 0.908 420 L HN 0.245 nan 8.230 nan 0.000 0.437 421 V N 0.161 120.100 119.914 0.043 0.000 2.343 421 V HA -0.309 3.812 4.120 0.002 0.000 0.247 421 V C 2.756 178.870 176.094 0.034 0.000 1.051 421 V CA 1.888 64.212 62.300 0.039 0.000 1.036 421 V CB -0.857 30.991 31.823 0.040 0.000 0.654 421 V HN 0.494 nan 8.190 nan 0.000 0.451 422 A N -0.441 122.399 122.820 0.034 0.000 1.902 422 A HA -0.267 4.054 4.320 0.002 0.000 0.217 422 A C 2.268 179.867 177.584 0.025 0.000 1.181 422 A CA 1.983 54.037 52.037 0.028 0.000 0.623 422 A CB -0.479 18.537 19.000 0.026 0.000 0.818 422 A HN 0.629 nan 8.150 nan 0.000 0.443 423 E N -0.081 120.135 120.200 0.026 0.000 2.106 423 E HA -0.191 4.160 4.350 0.002 0.000 0.192 423 E C 1.663 178.278 176.600 0.026 0.000 0.984 423 E CA 1.192 57.606 56.400 0.023 0.000 0.806 423 E CB -0.101 29.612 29.700 0.023 0.000 0.750 423 E HN 0.544 nan 8.360 nan 0.000 0.458 424 N N 0.622 119.340 118.700 0.029 0.000 2.223 424 N HA -0.120 4.621 4.740 0.002 0.000 0.185 424 N C 1.501 177.030 175.510 0.032 0.000 1.016 424 N CA 0.880 53.949 53.050 0.032 0.000 0.863 424 N CB -0.173 38.335 38.487 0.035 0.000 0.983 424 N HN 0.175 nan 8.380 nan 0.000 0.429 425 R N 0.051 120.569 120.500 0.029 0.000 2.280 425 R HA -0.001 4.340 4.340 0.002 0.000 0.207 425 R C 1.560 177.876 176.300 0.026 0.000 1.043 425 R CA 1.187 57.304 56.100 0.028 0.000 1.006 425 R CB -0.178 30.137 30.300 0.025 0.000 0.885 425 R HN 0.371 nan 8.270 nan 0.000 0.467 426 T N -1.949 112.619 114.554 0.024 0.000 3.100 426 T HA 0.172 4.523 4.350 0.002 0.000 0.253 426 T C 0.840 175.554 174.700 0.025 0.000 1.118 426 T CA 0.062 62.175 62.100 0.022 0.000 1.058 426 T CB 0.006 68.885 68.868 0.018 0.000 0.953 426 T HN 0.006 nan 8.240 nan 0.000 0.515 427 I N 2.819 123.406 120.570 0.029 0.000 2.294 427 I HA 0.429 4.600 4.170 0.002 0.000 0.295 427 I C 1.096 177.237 176.117 0.040 0.000 1.098 427 I CA -0.734 60.586 61.300 0.033 0.000 1.277 427 I CB 0.390 38.412 38.000 0.036 0.000 1.434 427 I HN 0.215 nan 8.210 nan 0.000 0.498 428 G N 6.811 115.634 108.800 0.040 0.000 2.477 428 G HA2 0.534 4.495 3.960 0.002 0.000 0.304 428 G HA3 0.534 4.495 3.960 0.002 0.000 0.304 428 G C -2.643 172.292 174.900 0.058 0.000 1.175 428 G CA -1.285 43.844 45.100 0.047 0.000 0.907 428 G HN 0.315 nan 8.290 nan 0.000 0.509 429 P HA 0.264 nan 4.420 nan 0.000 0.268 429 P C 0.277 177.624 177.300 0.079 0.000 1.205 429 P CA 0.172 63.325 63.100 0.089 0.000 0.771 429 P CB 1.434 33.201 31.700 0.112 0.000 0.858 430 A N 1.820 124.686 122.820 0.076 0.000 2.108 430 A HA 0.008 4.329 4.320 0.002 0.000 0.206 430 A C 1.875 179.504 177.584 0.076 0.000 1.212 430 A CA 0.800 52.876 52.037 0.064 0.000 0.843 430 A CB -1.005 18.022 19.000 0.045 0.000 0.902 430 A HN 0.514 nan 8.150 nan 0.000 0.477 431 S N 0.462 116.224 115.700 0.103 0.000 2.493 431 S HA -0.132 4.339 4.470 0.002 0.000 0.243 431 S C 1.432 176.135 174.600 0.171 0.000 0.991 431 S CA 1.825 60.098 58.200 0.122 0.000 0.957 431 S CB -0.947 62.387 63.200 0.222 0.000 0.756 431 S HN 0.765 nan 8.310 nan 0.000 0.521 432 T N -2.780 111.876 114.554 0.170 0.000 3.044 432 T HA 0.283 4.634 4.350 0.002 0.000 0.260 432 T C 0.905 175.668 174.700 0.105 0.000 1.019 432 T CA -0.453 61.745 62.100 0.163 0.000 0.921 432 T CB 0.093 69.059 68.868 0.163 0.000 1.053 432 T HN 0.192 nan 8.240 nan 0.000 0.533 433 Q N 1.997 121.847 119.800 0.082 0.000 2.217 433 Q HA 0.297 4.638 4.340 0.002 0.000 0.226 433 Q C 0.520 176.550 176.000 0.050 0.000 0.875 433 Q CA -0.078 55.761 55.803 0.060 0.000 0.974 433 Q CB 0.388 29.156 28.738 0.049 0.000 1.079 433 Q HN 0.556 nan 8.270 nan 0.000 0.463 434 S N 0.289 116.023 115.700 0.058 0.000 2.558 434 S HA 0.139 4.610 4.470 0.002 0.000 0.291 434 S C 0.006 174.633 174.600 0.044 0.000 1.306 434 S CA -0.145 58.086 58.200 0.051 0.000 1.056 434 S CB 0.425 63.667 63.200 0.070 0.000 0.836 434 S HN 0.115 nan 8.310 nan 0.000 0.504 435 V N 7.461 127.397 119.914 0.036 0.000 2.638 435 V HA 0.497 4.618 4.120 0.002 0.000 0.306 435 V C -2.085 174.028 176.094 0.032 0.000 1.052 435 V CA -1.556 60.763 62.300 0.032 0.000 0.885 435 V CB 1.966 33.803 31.823 0.024 0.000 0.999 435 V HN 0.886 nan 8.190 nan 0.000 0.424 436 P HA 0.389 nan 4.420 nan 0.000 0.275 436 P C -0.550 176.767 177.300 0.028 0.000 1.227 436 P CA 0.156 63.277 63.100 0.035 0.000 0.781 436 P CB 1.550 33.272 31.700 0.036 0.000 0.906 437 S N 0.454 116.171 115.700 0.029 0.000 2.790 437 S HA 0.330 4.801 4.470 0.002 0.000 0.292 437 S C -0.084 174.533 174.600 0.029 0.000 1.197 437 S CA -0.771 57.443 58.200 0.023 0.000 0.851 437 S CB 0.645 63.853 63.200 0.014 0.000 1.217 437 S HN 0.648 nan 8.310 nan 0.000 0.526 438 N N 0.164 118.880 118.700 0.027 0.000 2.738 438 N HA -0.181 4.560 4.740 0.002 0.000 0.249 438 N C 0.671 176.212 175.510 0.051 0.000 1.047 438 N CA 0.568 53.641 53.050 0.038 0.000 0.707 438 N CB -1.497 37.014 38.487 0.041 0.000 0.937 438 N HN 2.097 nan 8.380 nan 0.000 0.545 439 G N 1.208 110.038 108.800 0.049 0.000 2.323 439 G HA2 -0.275 3.686 3.960 0.002 0.000 0.292 439 G HA3 -0.275 3.686 3.960 0.002 0.000 0.292 439 G C 0.305 175.237 174.900 0.052 0.000 1.040 439 G CA 0.634 45.768 45.100 0.057 0.000 0.942 439 G HN 0.754 nan 8.290 nan 0.000 0.506 440 D N -1.992 118.434 120.400 0.043 0.000 3.059 440 D HA -0.262 4.379 4.640 0.002 0.000 0.213 440 D C 1.431 177.756 176.300 0.043 0.000 1.144 440 D CA 1.612 55.636 54.000 0.040 0.000 0.975 440 D CB -1.081 39.741 40.800 0.036 0.000 1.125 440 D HN 0.716 nan 8.370 nan 0.000 0.412 441 N N 0.956 119.683 118.700 0.045 0.000 2.080 441 N HA -0.160 4.581 4.740 0.002 0.000 0.189 441 N C 0.681 176.218 175.510 0.044 0.000 1.036 441 N CA 1.427 54.500 53.050 0.038 0.000 0.846 441 N CB 0.064 38.571 38.487 0.033 0.000 1.015 441 N HN 0.289 nan 8.380 nan 0.000 0.423 442 Q N 0.562 120.389 119.800 0.045 0.000 3.150 442 Q HA 0.067 4.409 4.340 0.002 0.000 0.297 442 Q C -0.545 175.494 176.000 0.066 0.000 1.382 442 Q CA -0.181 55.657 55.803 0.059 0.000 1.059 442 Q CB 0.376 29.134 28.738 0.034 0.000 1.559 442 Q HN 0.558 nan 8.270 nan 0.000 0.548 443 D N -0.923 119.519 120.400 0.071 0.000 2.363 443 D HA -0.036 4.605 4.640 0.002 0.000 0.220 443 D C 0.204 176.551 176.300 0.079 0.000 0.994 443 D CA 0.267 54.305 54.000 0.063 0.000 0.890 443 D CB 0.376 41.206 40.800 0.051 0.000 0.906 443 D HN 0.053 nan 8.370 nan 0.000 0.530 444 V N 1.291 121.275 119.914 0.116 0.000 2.555 444 V HA 0.312 4.433 4.120 0.002 0.000 0.283 444 V C -0.085 176.162 176.094 0.255 0.000 1.020 444 V CA -0.964 61.429 62.300 0.156 0.000 0.883 444 V CB 1.782 33.688 31.823 0.139 0.000 1.030 444 V HN 0.159 nan 8.190 nan 0.000 0.448 445 V N 2.174 122.171 119.914 0.137 0.000 3.234 445 V HA 0.820 4.941 4.120 0.002 0.000 0.317 445 V C 0.903 176.974 176.094 -0.039 0.000 1.147 445 V CA 0.287 62.577 62.300 -0.017 0.000 1.037 445 V CB 2.006 33.806 31.823 -0.040 0.000 1.148 445 V HN 0.779 nan 8.190 nan 0.000 0.455 446 S N -1.007 114.584 115.700 -0.182 0.000 2.520 446 S HA 0.146 4.617 4.470 0.002 0.000 0.219 446 S C 1.066 175.633 174.600 -0.055 0.000 1.028 446 S CA 0.530 58.672 58.200 -0.096 0.000 0.921 446 S CB -0.109 62.999 63.200 -0.155 0.000 0.844 446 S HN 1.032 nan 8.310 nan 0.000 0.495 447 M N 0.881 120.451 119.600 -0.049 0.000 2.703 447 M HA -0.172 4.309 4.480 0.002 0.000 0.186 447 M C 1.163 177.457 176.300 -0.010 0.000 0.582 447 M CA 0.863 56.154 55.300 -0.015 0.000 0.578 447 M CB -2.704 29.901 32.600 0.008 0.000 2.115 447 M HN 0.571 nan 8.290 nan 0.000 0.611 448 G N 0.107 108.887 108.800 -0.033 0.000 2.475 448 G HA2 -0.116 3.846 3.960 0.002 0.000 0.220 448 G HA3 -0.116 3.846 3.960 0.002 0.000 0.220 448 G C 1.327 176.230 174.900 0.004 0.000 1.125 448 G CA 1.084 46.168 45.100 -0.026 0.000 0.755 448 G HN 0.478 nan 8.290 nan 0.000 0.565 449 L N 0.794 122.029 121.223 0.021 0.000 2.141 449 L HA 0.153 4.494 4.340 0.002 0.000 0.209 449 L C 2.608 179.521 176.870 0.072 0.000 1.094 449 L CA 1.037 55.913 54.840 0.060 0.000 0.763 449 L CB -0.333 41.781 42.059 0.091 0.000 0.908 449 L HN 0.292 nan 8.230 nan 0.000 0.437 450 I N -1.612 118.986 120.570 0.046 0.000 2.315 450 I HA -0.250 3.921 4.170 0.002 0.000 0.248 450 I C 2.324 178.466 176.117 0.042 0.000 1.117 450 I CA 1.053 62.377 61.300 0.041 0.000 1.404 450 I CB -0.508 37.509 38.000 0.028 0.000 1.071 450 I HN 0.154 nan 8.210 nan 0.000 0.419 451 S N 1.016 116.737 115.700 0.034 0.000 2.356 451 S HA -0.172 4.299 4.470 0.002 0.000 0.223 451 S C 2.307 176.930 174.600 0.039 0.000 1.032 451 S CA 1.448 59.667 58.200 0.032 0.000 1.005 451 S CB -0.361 62.846 63.200 0.012 0.000 0.867 451 S HN 0.548 nan 8.310 nan 0.000 0.449 452 A N 1.830 124.676 122.820 0.042 0.000 1.902 452 A HA -0.103 4.218 4.320 0.002 0.000 0.217 452 A C 2.142 179.771 177.584 0.075 0.000 1.181 452 A CA 1.280 53.349 52.037 0.053 0.000 0.623 452 A CB -0.465 18.567 19.000 0.052 0.000 0.818 452 A HN 0.399 nan 8.150 nan 0.000 0.443 453 R N -0.587 119.967 120.500 0.090 0.000 2.115 453 R HA -0.085 4.256 4.340 0.002 0.000 0.230 453 R C 1.755 178.090 176.300 0.058 0.000 1.111 453 R CA 1.182 57.335 56.100 0.088 0.000 0.976 453 R CB -0.292 30.054 30.300 0.076 0.000 0.870 453 R HN 0.496 nan 8.270 nan 0.000 0.445 454 N N 0.959 119.690 118.700 0.051 0.000 2.106 454 N HA -0.119 4.622 4.740 0.002 0.000 0.188 454 N C 1.650 177.189 175.510 0.050 0.000 1.029 454 N CA 1.604 54.681 53.050 0.045 0.000 0.848 454 N CB -0.356 38.159 38.487 0.046 0.000 1.007 454 N HN 0.181 nan 8.380 nan 0.000 0.423 455 A N 1.095 123.948 122.820 0.054 0.000 1.933 455 A HA -0.135 4.186 4.320 0.002 0.000 0.218 455 A C 2.238 179.855 177.584 0.055 0.000 1.175 455 A CA 1.286 53.357 52.037 0.056 0.000 0.628 455 A CB -0.464 18.570 19.000 0.058 0.000 0.814 455 A HN 0.268 nan 8.150 nan 0.000 0.444 456 R N -0.415 120.121 120.500 0.059 0.000 2.073 456 R HA -0.149 4.192 4.340 0.002 0.000 0.234 456 R C 2.442 178.773 176.300 0.051 0.000 1.134 456 R CA 1.651 57.787 56.100 0.061 0.000 0.952 456 R CB -0.327 30.020 30.300 0.078 0.000 0.850 456 R HN 0.550 nan 8.270 nan 0.000 0.433 457 R N 0.148 120.675 120.500 0.045 0.000 2.083 457 R HA -0.111 4.230 4.340 0.002 0.000 0.237 457 R C 2.109 178.431 176.300 0.038 0.000 1.137 457 R CA 1.839 57.961 56.100 0.036 0.000 0.951 457 R CB -0.237 30.081 30.300 0.030 0.000 0.851 457 R HN 0.158 nan 8.270 nan 0.000 0.434 458 V N 1.514 121.453 119.914 0.041 0.000 2.343 458 V HA -0.244 3.877 4.120 0.002 0.000 0.247 458 V C 2.322 178.442 176.094 0.044 0.000 1.051 458 V CA 1.607 63.932 62.300 0.042 0.000 1.036 458 V CB -0.554 31.296 31.823 0.045 0.000 0.654 458 V HN 0.367 nan 8.190 nan 0.000 0.451 459 L N 0.291 121.542 121.223 0.046 0.000 1.989 459 L HA -0.178 4.163 4.340 0.002 0.000 0.211 459 L C 2.644 179.541 176.870 0.046 0.000 1.071 459 L CA 2.586 57.455 54.840 0.047 0.000 0.749 459 L CB -0.894 41.194 42.059 0.049 0.000 0.890 459 L HN 0.327 nan 8.230 nan 0.000 0.431 460 S N -0.447 115.279 115.700 0.043 0.000 2.370 460 S HA -0.204 4.267 4.470 0.002 0.000 0.226 460 S C 1.870 176.493 174.600 0.038 0.000 1.033 460 S CA 1.672 59.895 58.200 0.040 0.000 1.011 460 S CB -0.487 62.735 63.200 0.036 0.000 0.852 460 S HN 0.666 nan 8.310 nan 0.000 0.457 461 N N 2.003 120.725 118.700 0.038 0.000 2.244 461 N HA 0.008 4.749 4.740 0.002 0.000 0.183 461 N C 1.372 176.907 175.510 0.043 0.000 1.016 461 N CA 0.886 53.959 53.050 0.038 0.000 0.866 461 N CB -0.878 37.630 38.487 0.036 0.000 0.980 461 N HN 0.412 nan 8.380 nan 0.000 0.430 462 N N 1.163 119.890 118.700 0.045 0.000 2.309 462 N HA -0.037 4.704 4.740 0.002 0.000 0.182 462 N C 1.106 176.650 175.510 0.055 0.000 1.018 462 N CA 0.506 53.586 53.050 0.050 0.000 0.876 462 N CB -0.272 38.245 38.487 0.050 0.000 0.972 462 N HN 0.253 nan 8.380 nan 0.000 0.434 463 N N 0.713 119.443 118.700 0.051 0.000 2.244 463 N HA -0.059 4.682 4.740 0.002 0.000 0.183 463 N C 1.365 176.905 175.510 0.049 0.000 1.016 463 N CA 0.801 53.881 53.050 0.050 0.000 0.866 463 N CB 0.023 38.537 38.487 0.045 0.000 0.980 463 N HN 0.367 nan 8.380 nan 0.000 0.430 464 K N 0.571 120.999 120.400 0.047 0.000 2.062 464 K HA 0.085 4.406 4.320 0.002 0.000 0.205 464 K C 2.064 178.698 176.600 0.057 0.000 1.051 464 K CA 0.603 56.918 56.287 0.047 0.000 0.941 464 K CB 0.023 32.546 32.500 0.040 0.000 0.719 464 K HN 0.113 nan 8.250 nan 0.000 0.440 465 I N 1.196 121.801 120.570 0.058 0.000 2.142 465 I HA -0.308 3.863 4.170 0.002 0.000 0.240 465 I C 2.171 178.334 176.117 0.077 0.000 1.078 465 I CA 1.369 62.706 61.300 0.062 0.000 1.343 465 I CB -0.289 37.745 38.000 0.055 0.000 1.046 465 I HN 0.111 nan 8.210 nan 0.000 0.405 466 L N 0.452 121.729 121.223 0.089 0.000 2.131 466 L HA -0.197 4.144 4.340 0.002 0.000 0.210 466 L C 2.832 179.819 176.870 0.196 0.000 1.092 466 L CA 1.151 56.078 54.840 0.144 0.000 0.759 466 L CB -0.690 41.472 42.059 0.172 0.000 0.903 466 L HN 0.251 nan 8.230 nan 0.000 0.435 467 A N -0.209 122.675 122.820 0.107 0.000 1.883 467 A HA -0.182 4.139 4.320 0.002 0.000 0.217 467 A C 2.323 179.990 177.584 0.138 0.000 1.186 467 A CA 2.030 54.117 52.037 0.083 0.000 0.624 467 A CB -0.910 18.124 19.000 0.057 0.000 0.822 467 A HN 0.193 nan 8.150 nan 0.000 0.444 468 V N -0.005 119.984 119.914 0.126 0.000 2.407 468 V HA -0.262 3.859 4.120 0.002 0.000 0.248 468 V C 2.486 178.663 176.094 0.139 0.000 1.055 468 V CA 2.304 64.699 62.300 0.159 0.000 1.049 468 V CB -0.706 31.193 31.823 0.127 0.000 0.662 468 V HN 0.780 nan 8.190 nan 0.000 0.455 469 E N -0.889 119.366 120.200 0.092 0.000 2.106 469 E HA -0.213 4.138 4.350 0.002 0.000 0.192 469 E C 2.156 178.727 176.600 -0.048 0.000 0.984 469 E CA 1.265 57.667 56.400 0.002 0.000 0.806 469 E CB -0.168 29.512 29.700 -0.035 0.000 0.750 469 E HN 0.689 nan 8.360 nan 0.000 0.458 470 Y N 0.637 120.871 120.300 -0.111 0.000 2.163 470 Y HA -0.170 4.381 4.550 0.002 0.000 0.288 470 Y C 2.187 178.042 175.900 -0.075 0.000 1.136 470 Y CA 1.283 59.282 58.100 -0.169 0.000 1.147 470 Y CB -0.147 38.100 38.460 -0.354 0.000 0.987 470 Y HN 0.061 nan 8.280 nan 0.000 0.509 471 L N -1.063 120.267 121.223 0.177 0.000 2.046 471 L HA -0.266 4.075 4.340 0.002 0.000 0.208 471 L C 2.654 179.513 176.870 -0.019 0.000 1.077 471 L CA 1.163 56.130 54.840 0.211 0.000 0.747 471 L CB -0.847 41.464 42.059 0.420 0.000 0.896 471 L HN 0.228 nan 8.230 nan 0.000 0.432 472 A N -0.042 122.669 122.820 -0.181 0.000 1.877 472 A HA -0.172 4.149 4.320 0.002 0.000 0.216 472 A C 2.534 179.932 177.584 -0.309 0.000 1.186 472 A CA 1.760 53.480 52.037 -0.528 0.000 0.620 472 A CB -0.773 18.036 19.000 -0.318 0.000 0.822 472 A HN 0.397 nan 8.150 nan 0.000 0.443 473 A N -0.178 122.540 122.820 -0.169 0.000 1.902 473 A HA 0.152 4.473 4.320 0.002 0.000 0.217 473 A C 2.505 180.081 177.584 -0.014 0.000 1.181 473 A CA 2.160 54.130 52.037 -0.110 0.000 0.623 473 A CB -1.016 17.896 19.000 -0.147 0.000 0.818 473 A HN 1.069 nan 8.150 nan 0.000 0.443 474 A N -0.971 121.872 122.820 0.038 0.000 1.902 474 A HA -0.174 4.147 4.320 0.002 0.000 0.217 474 A C 2.152 179.839 177.584 0.171 0.000 1.181 474 A CA 2.075 54.226 52.037 0.190 0.000 0.623 474 A CB -0.502 18.546 19.000 0.080 0.000 0.818 474 A HN 0.555 nan 8.150 nan 0.000 0.443 475 Q N -0.040 119.764 119.800 0.006 0.000 2.084 475 Q HA -0.025 4.316 4.340 0.002 0.000 0.202 475 Q C 1.994 177.978 176.000 -0.027 0.000 0.978 475 Q CA 2.124 57.912 55.803 -0.024 0.000 0.844 475 Q CB -0.607 27.986 28.738 -0.242 0.000 0.898 475 Q HN 0.546 nan 8.270 nan 0.000 0.426 476 A N -0.626 122.147 122.820 -0.079 0.000 2.019 476 A HA -0.107 4.214 4.320 0.002 0.000 0.219 476 A C 2.189 179.770 177.584 -0.005 0.000 1.164 476 A CA 1.500 53.504 52.037 -0.055 0.000 0.644 476 A CB -0.589 18.367 19.000 -0.075 0.000 0.805 476 A HN 0.285 nan 8.150 nan 0.000 0.449 477 V N 0.301 120.237 119.914 0.036 0.000 2.323 477 V HA -0.191 3.931 4.120 0.002 0.000 0.244 477 V C 2.146 178.256 176.094 0.026 0.000 1.041 477 V CA 2.134 64.451 62.300 0.029 0.000 1.025 477 V CB -0.705 31.144 31.823 0.043 0.000 0.656 477 V HN 0.474 nan 8.190 nan 0.000 0.451 478 D N 0.198 120.646 120.400 0.079 0.000 2.117 478 D HA -0.121 4.520 4.640 0.002 0.000 0.197 478 D C 2.040 178.363 176.300 0.037 0.000 0.987 478 D CA 1.411 55.452 54.000 0.068 0.000 0.829 478 D CB -0.171 40.700 40.800 0.117 0.000 0.961 478 D HN 0.393 nan 8.370 nan 0.000 0.460 479 I N 0.897 121.485 120.570 0.030 0.000 2.439 479 I HA -0.195 3.976 4.170 0.002 0.000 0.251 479 I C 2.264 178.386 176.117 0.009 0.000 1.139 479 I CA 1.010 62.321 61.300 0.017 0.000 1.438 479 I CB -0.154 37.851 38.000 0.009 0.000 1.085 479 I HN -0.009 nan 8.210 nan 0.000 0.427 480 S N 0.342 116.045 115.700 0.005 0.000 2.501 480 S HA 0.121 4.592 4.470 0.002 0.000 0.220 480 S C 1.685 176.286 174.600 0.002 0.000 0.997 480 S CA 0.409 58.610 58.200 0.000 0.000 0.919 480 S CB 0.076 63.272 63.200 -0.005 0.000 0.778 480 S HN 0.544 nan 8.310 nan 0.000 0.523 481 G N 1.815 110.619 108.800 0.007 0.000 2.295 481 G HA2 -0.273 3.688 3.960 0.002 0.000 0.287 481 G HA3 -0.273 3.688 3.960 0.002 0.000 0.287 481 G C 0.394 175.300 174.900 0.009 0.000 1.055 481 G CA 0.288 45.395 45.100 0.013 0.000 0.922 481 G HN 0.573 nan 8.290 nan 0.000 0.503 482 R N -1.203 119.296 120.500 -0.002 0.000 2.468 482 R HA 0.305 4.646 4.340 0.002 0.000 0.280 482 R C 1.817 178.085 176.300 -0.054 0.000 0.963 482 R CA -0.189 55.894 56.100 -0.028 0.000 1.083 482 R CB -0.036 30.240 30.300 -0.040 0.000 1.200 482 R HN 0.398 nan 8.270 nan 0.000 0.541 483 F N 2.155 121.994 119.950 -0.185 0.000 2.126 483 F HA -0.238 4.290 4.527 0.002 0.000 0.299 483 F C 1.405 177.106 175.800 -0.164 0.000 1.096 483 F CA 1.739 59.579 58.000 -0.266 0.000 1.255 483 F CB 0.156 38.936 39.000 -0.367 0.000 0.997 483 F HN 0.002 nan 8.300 nan 0.000 0.479 484 D N -0.200 120.073 120.400 -0.212 0.000 2.350 484 D HA -0.060 4.581 4.640 0.002 0.000 0.216 484 D C 2.231 178.377 176.300 -0.257 0.000 0.968 484 D CA 1.195 55.037 54.000 -0.263 0.000 0.894 484 D CB -0.499 40.266 40.800 -0.058 0.000 0.909 484 D HN 0.501 nan 8.370 nan 0.000 0.520 485 G N -0.100 108.566 108.800 -0.224 0.000 2.887 485 G HA2 0.125 4.086 3.960 0.002 0.000 0.211 485 G HA3 0.125 4.086 3.960 0.002 0.000 0.211 485 G C 0.839 175.623 174.900 -0.194 0.000 1.152 485 G CA -0.303 44.697 45.100 -0.167 0.000 0.769 485 G HN 0.145 nan 8.290 nan 0.000 0.541 486 L N 2.270 123.325 121.223 -0.281 0.000 2.483 486 L HA 0.189 4.530 4.340 0.002 0.000 0.275 486 L C 1.363 178.108 176.870 -0.209 0.000 1.220 486 L CA -0.406 54.290 54.840 -0.240 0.000 0.833 486 L CB 0.735 42.621 42.059 -0.289 0.000 1.102 486 L HN 0.253 nan 8.230 nan 0.000 0.490 487 S N 1.769 117.388 115.700 -0.134 0.000 2.608 487 S HA 0.221 4.692 4.470 0.002 0.000 0.261 487 S C -1.859 172.689 174.600 -0.088 0.000 1.314 487 S CA -1.118 57.022 58.200 -0.101 0.000 0.992 487 S CB 0.943 64.098 63.200 -0.074 0.000 0.935 487 S HN 0.409 nan 8.310 nan 0.000 0.564 488 P HA -0.082 nan 4.420 nan 0.000 0.216 488 P C 1.606 178.907 177.300 0.001 0.000 1.153 488 P CA 2.099 65.180 63.100 -0.031 0.000 0.858 488 P CB -0.274 31.414 31.700 -0.020 0.000 0.789 489 A N -0.100 122.720 122.820 -0.000 0.000 1.873 489 A HA -0.103 4.218 4.320 0.002 0.000 0.215 489 A C 2.335 179.949 177.584 0.050 0.000 1.186 489 A CA 2.106 54.159 52.037 0.026 0.000 0.616 489 A CB -1.655 17.349 19.000 0.006 0.000 0.823 489 A HN 0.181 nan 8.150 nan 0.000 0.442 490 A N -0.380 122.450 122.820 0.017 0.000 1.978 490 A HA -0.175 4.146 4.320 0.002 0.000 0.220 490 A C 2.115 179.772 177.584 0.123 0.000 1.170 490 A CA 1.863 53.924 52.037 0.041 0.000 0.636 490 A CB -0.411 18.576 19.000 -0.022 0.000 0.810 490 A HN 0.546 nan 8.150 nan 0.000 0.448 491 K N -0.512 119.933 120.400 0.076 0.000 2.057 491 K HA -0.026 4.295 4.320 0.002 0.000 0.206 491 K C 2.376 179.159 176.600 0.305 0.000 1.050 491 K CA 0.979 57.378 56.287 0.186 0.000 0.935 491 K CB -0.294 32.219 32.500 0.021 0.000 0.715 491 K HN 0.449 nan 8.250 nan 0.000 0.439 492 A N 1.091 124.028 122.820 0.194 0.000 1.858 492 A HA -0.173 4.148 4.320 0.002 0.000 0.216 492 A C 2.261 179.986 177.584 0.235 0.000 1.190 492 A CA 2.209 54.358 52.037 0.185 0.000 0.617 492 A CB -1.145 17.932 19.000 0.128 0.000 0.827 492 A HN 0.261 nan 8.150 nan 0.000 0.443 493 T N -1.222 113.482 114.554 0.251 0.000 2.635 493 T HA -0.258 4.093 4.350 0.002 0.000 0.267 493 T C 1.796 176.702 174.700 0.343 0.000 1.040 493 T CA 1.918 64.216 62.100 0.330 0.000 1.156 493 T CB -0.626 68.389 68.868 0.245 0.000 0.863 493 T HN 0.562 nan 8.240 nan 0.000 0.430 494 Y N 2.007 122.435 120.300 0.213 0.000 2.114 494 Y HA -0.226 4.325 4.550 0.002 0.000 0.282 494 Y C 2.389 178.409 175.900 0.199 0.000 1.165 494 Y CA 1.810 60.036 58.100 0.209 0.000 1.148 494 Y CB -0.351 38.267 38.460 0.263 0.000 0.972 494 Y HN 0.311 nan 8.280 nan 0.000 0.504 495 E N -0.179 120.152 120.200 0.218 0.000 2.110 495 E HA -0.187 4.164 4.350 0.002 0.000 0.193 495 E C 2.349 178.957 176.600 0.013 0.000 0.988 495 E CA 0.807 57.249 56.400 0.071 0.000 0.804 495 E CB -0.322 29.495 29.700 0.194 0.000 0.745 495 E HN 0.610 nan 8.360 nan 0.000 0.458 496 A N 0.852 123.732 122.820 0.100 0.000 1.972 496 A HA -0.135 4.186 4.320 0.002 0.000 0.219 496 A C 2.439 180.083 177.584 0.100 0.000 1.169 496 A CA 1.056 53.128 52.037 0.058 0.000 0.635 496 A CB -0.434 18.602 19.000 0.059 0.000 0.810 496 A HN 0.103 nan 8.150 nan 0.000 0.446 497 V N 0.112 120.142 119.914 0.194 0.000 2.323 497 V HA -0.181 3.940 4.120 0.002 0.000 0.244 497 V C 2.624 178.705 176.094 -0.022 0.000 1.041 497 V CA 1.781 64.179 62.300 0.165 0.000 1.025 497 V CB -0.750 31.154 31.823 0.134 0.000 0.656 497 V HN 0.452 nan 8.190 nan 0.000 0.451 498 R N 0.211 120.591 120.500 -0.201 0.000 2.120 498 R HA -0.122 4.219 4.340 0.002 0.000 0.234 498 R C 2.308 178.553 176.300 -0.092 0.000 1.123 498 R CA 1.261 57.239 56.100 -0.204 0.000 0.975 498 R CB -0.743 29.342 30.300 -0.359 0.000 0.866 498 R HN 0.469 nan 8.270 nan 0.000 0.446 499 R N 0.774 121.232 120.500 -0.070 0.000 2.120 499 R HA -0.038 4.303 4.340 0.002 0.000 0.234 499 R C 1.991 178.272 176.300 -0.032 0.000 1.123 499 R CA 1.062 57.135 56.100 -0.044 0.000 0.975 499 R CB -0.029 30.244 30.300 -0.044 0.000 0.866 499 R HN 0.169 nan 8.270 nan 0.000 0.446 500 L N -0.801 120.411 121.223 -0.019 0.000 2.221 500 L HA 0.198 4.539 4.340 0.002 0.000 0.202 500 L C -0.010 176.868 176.870 0.014 0.000 1.074 500 L CA 0.085 54.925 54.840 -0.001 0.000 0.795 500 L CB 0.672 42.743 42.059 0.021 0.000 0.960 500 L HN -0.100 nan 8.230 nan 0.000 0.458 501 V N 0.466 120.391 119.914 0.018 0.000 2.686 501 V HA 0.375 4.497 4.120 0.002 0.000 0.306 501 V C -2.408 173.694 176.094 0.014 0.000 1.065 501 V CA -1.398 60.919 62.300 0.029 0.000 0.894 501 V CB 2.313 34.172 31.823 0.061 0.000 1.004 501 V HN -0.069 nan 8.190 nan 0.000 0.424 502 P HA 0.242 nan 4.420 nan 0.000 0.276 502 P C -0.004 177.326 177.300 0.049 0.000 1.252 502 P CA -0.113 62.997 63.100 0.017 0.000 0.802 502 P CB 0.627 32.338 31.700 0.018 0.000 1.035 503 T N 1.000 115.587 114.554 0.054 0.000 2.856 503 T HA -0.019 4.332 4.350 0.002 0.000 0.329 503 T C 0.398 175.160 174.700 0.104 0.000 1.094 503 T CA 0.367 62.523 62.100 0.094 0.000 1.112 503 T CB -0.210 68.709 68.868 0.085 0.000 1.009 503 T HN 0.285 nan 8.240 nan 0.000 0.550 504 L N 2.855 124.169 121.223 0.153 0.000 2.314 504 L HA 0.500 4.841 4.340 0.002 0.000 0.275 504 L C 0.923 177.849 176.870 0.094 0.000 1.068 504 L CA 0.053 54.977 54.840 0.140 0.000 0.894 504 L CB -0.122 42.084 42.059 0.246 0.000 1.275 504 L HN 0.752 nan 8.230 nan 0.000 0.432 505 G N 3.768 112.598 108.800 0.050 0.000 2.688 505 G HA2 0.102 4.063 3.960 0.002 0.000 0.211 505 G HA3 0.102 4.063 3.960 0.002 0.000 0.211 505 G C 0.439 175.317 174.900 -0.036 0.000 1.399 505 G CA 0.691 45.795 45.100 0.006 0.000 0.901 505 G HN 0.605 nan 8.290 nan 0.000 0.555 506 V N -1.532 118.370 119.914 -0.020 0.000 3.262 506 V HA 0.478 4.599 4.120 0.002 0.000 0.313 506 V C -0.415 175.778 176.094 0.165 0.000 1.070 506 V CA -1.220 61.088 62.300 0.014 0.000 1.049 506 V CB 1.177 33.102 31.823 0.170 0.000 1.157 506 V HN 0.260 nan 8.190 nan 0.000 0.454 507 D N 1.894 122.511 120.400 0.361 0.000 2.423 507 D HA 0.421 5.063 4.640 0.002 0.000 0.238 507 D C 0.319 176.668 176.300 0.081 0.000 1.142 507 D CA 0.592 54.687 54.000 0.159 0.000 0.884 507 D CB 0.354 41.218 40.800 0.106 0.000 1.199 507 D HN 0.848 nan 8.370 nan 0.000 0.438 508 R N 0.390 120.909 120.500 0.031 0.000 2.712 508 R HA 0.240 4.581 4.340 0.002 0.000 0.272 508 R C -1.041 175.291 176.300 0.053 0.000 1.032 508 R CA -1.047 55.084 56.100 0.052 0.000 0.874 508 R CB 0.279 30.612 30.300 0.055 0.000 1.256 508 R HN 0.268 nan 8.270 nan 0.000 0.468 509 Y N 2.506 122.783 120.300 -0.039 0.000 2.852 509 Y HA -0.083 4.468 4.550 0.002 0.000 0.343 509 Y C 0.893 176.757 175.900 -0.061 0.000 1.280 509 Y CA 0.703 58.778 58.100 -0.042 0.000 1.604 509 Y CB 0.603 39.046 38.460 -0.028 0.000 1.216 509 Y HN 0.582 nan 8.280 nan 0.000 0.541 510 M N 4.782 124.206 119.600 -0.294 0.000 2.501 510 M HA 0.046 4.527 4.480 0.002 0.000 0.261 510 M C 2.172 178.327 176.300 -0.241 0.000 1.129 510 M CA 1.010 56.160 55.300 -0.249 0.000 1.126 510 M CB -1.290 31.133 32.600 -0.295 0.000 1.359 510 M HN 0.828 nan 8.290 nan 0.000 0.471 511 A N 1.528 124.074 122.820 -0.457 0.000 1.869 511 A HA -0.228 4.093 4.320 0.002 0.000 0.218 511 A C 1.886 179.456 177.584 -0.023 0.000 1.203 511 A CA 2.289 54.164 52.037 -0.269 0.000 0.638 511 A CB -0.889 17.866 19.000 -0.408 0.000 0.831 511 A HN 0.419 nan 8.150 nan 0.000 0.450 512 D N -0.092 120.394 120.400 0.145 0.000 2.123 512 D HA -0.139 4.502 4.640 0.002 0.000 0.196 512 D C 1.424 177.769 176.300 0.075 0.000 0.992 512 D CA 1.618 55.704 54.000 0.144 0.000 0.833 512 D CB -0.511 40.401 40.800 0.186 0.000 0.954 512 D HN 0.437 nan 8.370 nan 0.000 0.455 513 D N 0.513 120.948 120.400 0.057 0.000 2.117 513 D HA -0.093 4.548 4.640 0.002 0.000 0.197 513 D C 2.275 178.599 176.300 0.040 0.000 0.987 513 D CA 0.475 54.500 54.000 0.041 0.000 0.829 513 D CB -0.307 40.505 40.800 0.021 0.000 0.961 513 D HN 0.294 nan 8.370 nan 0.000 0.460 514 I N 0.846 121.427 120.570 0.017 0.000 2.202 514 I HA -0.173 3.998 4.170 0.002 0.000 0.242 514 I C 2.151 178.289 176.117 0.035 0.000 1.091 514 I CA 0.927 62.243 61.300 0.027 0.000 1.368 514 I CB -0.158 37.842 38.000 0.000 0.000 1.058 514 I HN -0.091 nan 8.210 nan 0.000 0.410 515 E N 0.541 120.759 120.200 0.030 0.000 2.268 515 E HA -0.174 4.177 4.350 0.002 0.000 0.195 515 E C 2.085 178.707 176.600 0.037 0.000 0.995 515 E CA 0.901 57.321 56.400 0.033 0.000 0.836 515 E CB -0.150 29.571 29.700 0.035 0.000 0.763 515 E HN 0.330 nan 8.360 nan 0.000 0.491 516 L N 0.164 121.412 121.223 0.041 0.000 2.072 516 L HA -0.099 4.242 4.340 0.002 0.000 0.205 516 L C 2.165 179.064 176.870 0.049 0.000 1.079 516 L CA 1.091 55.953 54.840 0.038 0.000 0.752 516 L CB -0.155 41.928 42.059 0.039 0.000 0.906 516 L HN -0.112 nan 8.230 nan 0.000 0.436 517 V N -0.558 119.398 119.914 0.070 0.000 2.871 517 V HA -0.059 4.062 4.120 0.002 0.000 0.256 517 V C 2.541 178.687 176.094 0.086 0.000 1.082 517 V CA 1.057 63.422 62.300 0.109 0.000 1.105 517 V CB -0.817 31.070 31.823 0.105 0.000 0.713 517 V HN 0.508 nan 8.190 nan 0.000 0.473 518 A N 0.113 122.966 122.820 0.055 0.000 1.897 518 A HA -0.162 4.159 4.320 0.002 0.000 0.215 518 A C 1.957 179.566 177.584 0.041 0.000 1.181 518 A CA 1.688 53.751 52.037 0.043 0.000 0.620 518 A CB -0.440 18.583 19.000 0.038 0.000 0.821 518 A HN 0.485 nan 8.150 nan 0.000 0.443 519 D N 0.270 120.690 120.400 0.033 0.000 2.144 519 D HA 0.000 4.642 4.640 0.002 0.000 0.200 519 D C 2.181 178.486 176.300 0.009 0.000 0.978 519 D CA 1.378 55.390 54.000 0.020 0.000 0.833 519 D CB -0.401 40.406 40.800 0.012 0.000 0.961 519 D HN 0.403 nan 8.370 nan 0.000 0.470 520 A N 0.546 123.371 122.820 0.007 0.000 1.902 520 A HA -0.126 4.195 4.320 0.002 0.000 0.217 520 A C 2.315 179.891 177.584 -0.013 0.000 1.181 520 A CA 0.938 52.943 52.037 -0.054 0.000 0.623 520 A CB -0.783 18.148 19.000 -0.114 0.000 0.818 520 A HN 0.206 nan 8.150 nan 0.000 0.443 521 L N 0.454 121.737 121.223 0.101 0.000 2.093 521 L HA -0.166 4.175 4.340 0.002 0.000 0.208 521 L C 2.908 179.817 176.870 0.065 0.000 1.085 521 L CA 1.553 56.468 54.840 0.124 0.000 0.755 521 L CB -0.330 41.766 42.059 0.061 0.000 0.904 521 L HN 0.589 nan 8.230 nan 0.000 0.435 522 S N -0.639 115.086 115.700 0.042 0.000 2.474 522 S HA -0.109 4.362 4.470 0.002 0.000 0.235 522 S C 1.819 176.433 174.600 0.023 0.000 0.997 522 S CA 0.516 58.736 58.200 0.035 0.000 0.949 522 S CB -0.275 62.943 63.200 0.030 0.000 0.766 522 S HN 0.419 nan 8.310 nan 0.000 0.517 523 R N 0.566 121.069 120.500 0.006 0.000 2.362 523 R HA 0.284 4.625 4.340 0.002 0.000 0.227 523 R C 1.243 177.534 176.300 -0.015 0.000 0.905 523 R CA 0.332 56.426 56.100 -0.010 0.000 1.067 523 R CB 0.003 30.284 30.300 -0.032 0.000 1.078 523 R HN 0.530 nan 8.270 nan 0.000 0.516 524 G N 1.996 110.799 108.800 0.004 0.000 2.198 524 G HA2 -0.311 3.651 3.960 0.002 0.000 0.260 524 G HA3 -0.311 3.651 3.960 0.002 0.000 0.260 524 G C 0.454 175.334 174.900 -0.035 0.000 1.025 524 G CA 0.486 45.596 45.100 0.017 0.000 0.769 524 G HN 0.453 nan 8.290 nan 0.000 0.507 525 E N -1.214 118.905 120.200 -0.134 0.000 2.347 525 E HA 0.058 4.409 4.350 0.002 0.000 0.196 525 E C 1.667 178.022 176.600 -0.408 0.000 1.008 525 E CA 0.714 56.940 56.400 -0.291 0.000 0.852 525 E CB -0.077 29.374 29.700 -0.415 0.000 0.783 525 E HN 0.658 nan 8.360 nan 0.000 0.505 526 F N -0.207 119.714 119.950 -0.048 0.000 2.473 526 F HA 0.020 4.549 4.527 0.002 0.000 0.294 526 F C 1.889 177.718 175.800 0.049 0.000 1.103 526 F CA 0.168 58.166 58.000 -0.004 0.000 1.442 526 F CB 0.002 38.973 39.000 -0.048 0.000 1.097 526 F HN 0.034 nan 8.300 nan 0.000 0.547 527 L N 0.366 121.687 121.223 0.164 0.000 2.109 527 L HA -0.024 4.317 4.340 0.002 0.000 0.207 527 L C 2.510 179.419 176.870 0.065 0.000 1.086 527 L CA 1.501 56.412 54.840 0.118 0.000 0.760 527 L CB -0.636 41.478 42.059 0.092 0.000 0.910 527 L HN 0.016 nan 8.230 nan 0.000 0.437 528 R N -0.215 120.297 120.500 0.020 0.000 2.082 528 R HA -0.196 4.145 4.340 0.002 0.000 0.234 528 R C 2.200 178.501 176.300 0.001 0.000 1.136 528 R CA 1.684 57.780 56.100 -0.007 0.000 0.935 528 R CB -0.585 29.685 30.300 -0.050 0.000 0.842 528 R HN 0.474 nan 8.270 nan 0.000 0.430 529 A N 1.012 123.826 122.820 -0.010 0.000 1.903 529 A HA -0.224 4.097 4.320 0.002 0.000 0.219 529 A C 2.096 179.714 177.584 0.055 0.000 1.191 529 A CA 1.885 53.933 52.037 0.018 0.000 0.638 529 A CB -0.631 18.390 19.000 0.035 0.000 0.823 529 A HN 0.365 nan 8.150 nan 0.000 0.451 530 I N 0.005 120.623 120.570 0.080 0.000 2.226 530 I HA -0.236 3.935 4.170 0.002 0.000 0.245 530 I C 2.904 179.049 176.117 0.047 0.000 1.100 530 I CA 1.338 62.681 61.300 0.072 0.000 1.374 530 I CB -0.671 37.377 38.000 0.080 0.000 1.057 530 I HN 0.337 nan 8.210 nan 0.000 0.413 531 A N 0.329 123.173 122.820 0.040 0.000 1.865 531 A HA -0.246 4.075 4.320 0.002 0.000 0.217 531 A C 2.492 180.089 177.584 0.022 0.000 1.191 531 A CA 1.929 53.982 52.037 0.028 0.000 0.623 531 A CB -0.621 18.393 19.000 0.023 0.000 0.826 531 A HN 0.340 nan 8.150 nan 0.000 0.444 532 R N -0.695 119.816 120.500 0.019 0.000 2.062 532 R HA -0.063 4.278 4.340 0.002 0.000 0.231 532 R C 1.734 178.046 176.300 0.021 0.000 1.136 532 R CA 1.321 57.430 56.100 0.015 0.000 0.948 532 R CB -0.264 30.041 30.300 0.008 0.000 0.845 532 R HN 0.451 nan 8.270 nan 0.000 0.430 533 E N 0.336 120.554 120.200 0.030 0.000 2.502 533 E HA -0.018 4.333 4.350 0.002 0.000 0.194 533 E C 0.671 177.291 176.600 0.033 0.000 1.062 533 E CA 0.649 57.071 56.400 0.037 0.000 0.867 533 E CB 0.437 30.168 29.700 0.053 0.000 0.888 533 E HN 0.422 nan 8.360 nan 0.000 0.510 534 T N -3.234 111.337 114.554 0.028 0.000 2.754 534 T HA 0.394 4.745 4.350 0.002 0.000 0.296 534 T C -0.432 174.278 174.700 0.018 0.000 1.205 534 T CA -0.806 61.307 62.100 0.022 0.000 1.009 534 T CB 1.239 70.120 68.868 0.023 0.000 1.368 534 T HN -0.326 nan 8.240 nan 0.000 0.509 535 D N -0.197 120.211 120.400 0.013 0.000 2.440 535 D HA 0.380 5.021 4.640 0.002 0.000 0.216 535 D C 0.030 176.337 176.300 0.011 0.000 1.150 535 D CA -0.248 53.759 54.000 0.012 0.000 0.832 535 D CB -0.001 40.804 40.800 0.008 0.000 0.992 535 D HN 0.502 nan 8.370 nan 0.000 0.502 536 I N 1.361 121.939 120.570 0.013 0.000 2.618 536 I HA 0.024 4.195 4.170 0.002 0.000 0.284 536 I C 0.293 176.420 176.117 0.017 0.000 1.146 536 I CA 0.295 61.602 61.300 0.012 0.000 1.425 536 I CB 0.710 38.716 38.000 0.011 0.000 1.383 536 I HN -0.178 nan 8.210 nan 0.000 0.562 537 Q N 6.405 126.214 119.800 0.015 0.000 2.571 537 Q HA 0.431 4.772 4.340 0.002 0.000 0.243 537 Q C -0.822 175.191 176.000 0.022 0.000 1.055 537 Q CA -0.290 55.524 55.803 0.019 0.000 0.815 537 Q CB 0.843 29.590 28.738 0.015 0.000 1.151 537 Q HN 0.505 nan 8.270 nan 0.000 0.519 538 L N 1.920 123.160 121.223 0.028 0.000 2.506 538 L HA 0.098 4.439 4.340 0.002 0.000 0.281 538 L C 0.943 177.838 176.870 0.042 0.000 1.228 538 L CA 0.361 55.221 54.840 0.033 0.000 0.850 538 L CB 0.282 42.365 42.059 0.040 0.000 1.110 538 L HN 0.446 nan 8.230 nan 0.000 0.496 539 R N 0.000 120.530 120.500 0.049 0.000 2.786 539 R HA 0.000 4.341 4.340 0.002 0.000 0.208 539 R CA 0.000 56.142 56.100 0.070 0.000 0.921 539 R CB 0.000 30.345 30.300 0.075 0.000 0.687 539 R HN 0.000 nan 8.270 nan 0.000 0.535