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 1r4m_1_G DATA FIRST_RESID 6 DATA SEQUENCE KLLKEQKYDR QLRLWGDHGQ EALESAHVCL INATATGTEI LKNLVLPGIG DATA SEQUENCE SFTIIDGNQV SGEDAGNNFF LQRSSIGKNR AEAAMEFLQE LNSDVSGSFV DATA SEQUENCE EESPENLLDN DPSFFCRFTV VVATQLPEST SLRLADVLWN SQIPLLICRT DATA SEQUENCE YGLVGYMRII IKEHPVIESH PDNALEDLRL DKPFPELREH FQSYXXXXXX DATA SEQUENCE XXDHSHTPWI VIIAKYLAQW YSETNGRIPK TYKEKEDFRD LIRQGILKXX DATA SEQUENCE XXXPEDEENF EEAIKNVNTA LNTTQIPSSI EDIFNDDRCI NITKQTPSFW DATA SEQUENCE ILARALKEFV AKEGQGNLPV RGTIPDMIAD SGKYIKLQNV YREKAKKDAA DATA SEQUENCE AVGNHVAKLL QSIGQAPESI SEKELKLLCS NSAFLRVVRC RSLAEEYGLD DATA SEQUENCE TINKDEIISS MDNPDNEIVL YLMLRAVDRF HKQQGRYPGV SNYQVEEDIG DATA SEQUENCE KLKSCLTGFL QEYGLSVMVK DDYVHEFCRY GAAEPHTIAA FLGGAAAQEV DATA SEQUENCE IKIITKQFVI FNNTYIYSGM SQTSATFQL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.612 176.600 0.020 0.000 0.988 6 K CA 0.000 56.299 56.287 0.021 0.000 0.838 6 K CB 0.000 32.512 32.500 0.019 0.000 1.064 7 L N 2.548 123.778 121.223 0.012 0.000 2.552 7 L HA 0.168 4.508 4.340 -0.000 0.000 0.227 7 L C 1.711 178.577 176.870 -0.008 0.000 1.146 7 L CA 0.881 55.726 54.840 0.009 0.000 0.858 7 L CB -0.058 42.005 42.059 0.007 0.000 0.969 7 L HN 0.287 nan 8.230 nan 0.000 0.451 8 L N -0.921 120.290 121.223 -0.019 0.000 2.156 8 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 8 L C 2.383 179.199 176.870 -0.090 0.000 1.095 8 L CA 1.580 56.393 54.840 -0.045 0.000 0.770 8 L CB -0.458 41.576 42.059 -0.041 0.000 0.914 8 L HN 0.196 nan 8.230 nan 0.000 0.439 9 K N -0.463 119.891 120.400 -0.077 0.000 2.002 9 K HA -0.254 4.066 4.320 -0.000 0.000 0.209 9 K C 1.983 178.513 176.600 -0.117 0.000 1.048 9 K CA 1.760 57.957 56.287 -0.151 0.000 0.930 9 K CB -0.216 32.302 32.500 0.029 0.000 0.714 9 K HN 0.384 nan 8.250 nan 0.000 0.438 10 E N 1.030 121.236 120.200 0.010 0.000 2.273 10 E HA -0.257 4.093 4.350 -0.000 0.000 0.198 10 E C 1.702 178.301 176.600 -0.001 0.000 1.002 10 E CA 1.284 57.712 56.400 0.046 0.000 0.828 10 E CB 0.166 29.893 29.700 0.046 0.000 0.747 10 E HN 0.364 nan 8.360 nan 0.000 0.491 11 Q N -0.080 119.689 119.800 -0.052 0.000 2.123 11 Q HA -0.070 4.270 4.340 -0.000 0.000 0.196 11 Q C 2.135 178.081 176.000 -0.090 0.000 0.958 11 Q CA 0.904 56.673 55.803 -0.057 0.000 0.841 11 Q CB -0.104 28.600 28.738 -0.057 0.000 0.915 11 Q HN 0.093 nan 8.270 nan 0.000 0.455 12 K N 0.665 120.953 120.400 -0.188 0.000 2.057 12 K HA -0.121 4.198 4.320 -0.000 0.000 0.206 12 K C 1.011 177.486 176.600 -0.209 0.000 1.050 12 K CA 1.159 57.276 56.287 -0.282 0.000 0.935 12 K CB 0.084 32.269 32.500 -0.525 0.000 0.715 12 K HN 0.276 nan 8.250 nan 0.000 0.439 13 Y N 0.595 120.896 120.300 0.002 0.000 2.468 13 Y HA -0.014 4.536 4.550 -0.000 0.000 0.268 13 Y C 1.767 177.629 175.900 -0.064 0.000 1.177 13 Y CA -0.433 57.661 58.100 -0.011 0.000 1.265 13 Y CB 0.212 38.694 38.460 0.036 0.000 1.103 13 Y HN 0.256 nan 8.280 nan 0.000 0.522 14 D N 1.441 121.874 120.400 0.055 0.000 2.127 14 D HA -0.236 4.404 4.640 -0.000 0.000 0.190 14 D C 1.840 178.100 176.300 -0.065 0.000 1.000 14 D CA 1.449 55.446 54.000 -0.006 0.000 0.839 14 D CB 0.239 41.028 40.800 -0.019 0.000 0.955 14 D HN 0.204 nan 8.370 nan 0.000 0.446 15 R N 0.221 120.679 120.500 -0.070 0.000 2.170 15 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 15 R C 2.334 178.496 176.300 -0.230 0.000 1.145 15 R CA 1.504 57.533 56.100 -0.119 0.000 0.984 15 R CB -0.650 29.597 30.300 -0.089 0.000 0.869 15 R HN 0.683 nan 8.270 nan 0.000 0.455 16 Q N -0.661 118.955 119.800 -0.308 0.000 2.391 16 Q HA 0.121 4.461 4.340 -0.000 0.000 0.211 16 Q C 1.948 177.419 176.000 -0.882 0.000 0.908 16 Q CA 0.127 55.508 55.803 -0.704 0.000 0.920 16 Q CB -0.176 28.090 28.738 -0.786 0.000 1.056 16 Q HN 0.208 nan 8.270 nan 0.000 0.523 17 L N 0.770 121.728 121.223 -0.441 0.000 2.275 17 L HA -0.021 4.319 4.340 -0.000 0.000 0.215 17 L C 2.135 178.866 176.870 -0.231 0.000 1.119 17 L CA 0.893 55.557 54.840 -0.293 0.000 0.790 17 L CB -0.108 41.912 42.059 -0.066 0.000 0.919 17 L HN 0.185 nan 8.230 nan 0.000 0.443 18 R N -0.580 119.783 120.500 -0.229 0.000 2.323 18 R HA 0.043 4.383 4.340 -0.000 0.000 0.198 18 R C 1.565 177.762 176.300 -0.171 0.000 0.988 18 R CA 0.456 56.468 56.100 -0.147 0.000 1.041 18 R CB 0.164 30.391 30.300 -0.121 0.000 0.926 18 R HN 0.388 nan 8.270 nan 0.000 0.476 19 L N -1.838 119.201 121.223 -0.305 0.000 2.526 19 L HA 0.129 4.469 4.340 -0.000 0.000 0.210 19 L C 0.909 177.758 176.870 -0.034 0.000 1.048 19 L CA 0.183 54.883 54.840 -0.233 0.000 0.852 19 L CB 0.226 42.053 42.059 -0.387 0.000 1.128 19 L HN 0.321 nan 8.230 nan 0.000 0.482 20 W N -0.145 121.155 121.300 -0.000 0.000 2.499 20 W HA 0.679 5.339 4.660 -0.000 0.000 0.362 20 W C 0.625 177.025 176.519 -0.199 0.000 0.945 20 W CA -0.567 56.759 57.345 -0.031 0.000 1.721 20 W CB -1.090 28.389 29.460 0.032 0.000 1.156 20 W HN 0.060 nan 8.180 nan 0.000 0.547 21 G N 1.962 110.795 108.800 0.055 0.000 2.791 21 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.256 21 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.256 21 G C 0.612 175.568 174.900 0.093 0.000 1.380 21 G CA 0.572 45.718 45.100 0.077 0.000 0.904 21 G HN 0.188 nan 8.290 nan 0.000 0.563 22 D N 0.128 120.635 120.400 0.178 0.000 2.117 22 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 22 D C 2.153 178.552 176.300 0.165 0.000 0.987 22 D CA 2.004 56.110 54.000 0.177 0.000 0.829 22 D CB -0.384 40.521 40.800 0.175 0.000 0.961 22 D HN 0.749 nan 8.370 nan 0.000 0.460 23 H N -0.328 118.810 119.070 0.112 0.000 2.389 23 H HA 0.035 4.591 4.556 -0.000 0.000 0.299 23 H C 2.178 177.553 175.328 0.078 0.000 1.081 23 H CA 1.483 57.578 56.048 0.078 0.000 1.345 23 H CB -1.013 28.783 29.762 0.056 0.000 1.393 23 H HN 0.139 nan 8.280 nan 0.000 0.520 24 G N 0.741 109.288 108.800 -0.422 0.000 2.421 24 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.216 24 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.216 24 G C 1.795 176.571 174.900 -0.207 0.000 1.171 24 G CA 0.977 45.919 45.100 -0.263 0.000 0.775 24 G HN 0.410 nan 8.290 nan 0.000 0.543 25 Q N 0.624 120.460 119.800 0.060 0.000 2.135 25 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 25 Q C 2.367 178.357 176.000 -0.017 0.000 0.981 25 Q CA 1.938 57.787 55.803 0.076 0.000 0.856 25 Q CB -0.335 28.516 28.738 0.188 0.000 0.902 25 Q HN 0.685 nan 8.270 nan 0.000 0.425 26 E N -0.611 119.597 120.200 0.014 0.000 2.051 26 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 26 E C 1.913 178.501 176.600 -0.020 0.000 0.991 26 E CA 0.939 57.349 56.400 0.017 0.000 0.799 26 E CB -0.293 29.438 29.700 0.052 0.000 0.748 26 E HN 0.479 nan 8.360 nan 0.000 0.449 27 A N 1.523 124.316 122.820 -0.044 0.000 1.873 27 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 27 A C 2.191 179.721 177.584 -0.090 0.000 1.193 27 A CA 1.409 53.409 52.037 -0.062 0.000 0.629 27 A CB -0.770 18.178 19.000 -0.087 0.000 0.826 27 A HN 0.210 nan 8.150 nan 0.000 0.447 28 L N 0.371 121.496 121.223 -0.165 0.000 2.012 28 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 28 L C 2.126 178.936 176.870 -0.101 0.000 1.073 28 L CA 2.434 57.161 54.840 -0.188 0.000 0.748 28 L CB -0.901 40.966 42.059 -0.320 0.000 0.891 28 L HN 0.564 nan 8.230 nan 0.000 0.431 29 E N -1.538 118.617 120.200 -0.075 0.000 2.516 29 E HA -0.066 4.284 4.350 -0.000 0.000 0.199 29 E C 1.524 178.117 176.600 -0.011 0.000 1.069 29 E CA 0.730 57.111 56.400 -0.032 0.000 0.876 29 E CB 0.000 29.696 29.700 -0.007 0.000 0.843 29 E HN 0.434 nan 8.360 nan 0.000 0.530 30 S N 0.028 115.719 115.700 -0.014 0.000 2.540 30 S HA 0.233 4.703 4.470 -0.000 0.000 0.222 30 S C 0.556 175.167 174.600 0.018 0.000 1.008 30 S CA -0.281 57.920 58.200 0.002 0.000 0.939 30 S CB 0.790 63.992 63.200 0.003 0.000 0.865 30 S HN 0.258 nan 8.310 nan 0.000 0.499 31 A N 1.450 124.281 122.820 0.018 0.000 2.272 31 A HA 0.620 4.940 4.320 -0.000 0.000 0.275 31 A C -0.295 177.371 177.584 0.138 0.000 1.096 31 A CA -0.208 51.867 52.037 0.063 0.000 0.822 31 A CB 0.247 19.266 19.000 0.031 0.000 1.088 31 A HN 0.571 nan 8.150 nan 0.000 0.495 32 H N -0.500 118.620 119.070 0.083 0.000 3.018 32 H HA 0.536 5.092 4.556 -0.000 0.000 0.334 32 H C -1.642 173.829 175.328 0.239 0.000 0.983 32 H CA -0.693 55.448 56.048 0.155 0.000 1.363 32 H CB 1.378 31.219 29.762 0.131 0.000 1.668 32 H HN 0.457 nan 8.280 nan 0.000 0.513 33 V N 4.517 124.738 119.914 0.512 0.000 2.612 33 V HA 0.215 4.335 4.120 -0.000 0.000 0.301 33 V C -0.194 175.970 176.094 0.117 0.000 1.046 33 V CA -0.663 61.795 62.300 0.263 0.000 0.946 33 V CB 1.511 33.422 31.823 0.145 0.000 1.003 33 V HN 0.864 nan 8.190 nan 0.000 0.459 34 C N 6.800 125.936 119.300 -0.273 0.000 2.301 34 C HA 0.736 5.196 4.460 -0.000 0.000 0.323 34 C C -0.561 174.303 174.990 -0.211 0.000 1.265 34 C CA -0.725 57.924 59.018 -0.615 0.000 1.503 34 C CB -0.011 26.779 27.740 -1.584 0.000 2.195 34 C HN 0.809 nan 8.230 nan 0.000 0.477 35 L N 8.291 129.475 121.223 -0.064 0.000 2.282 35 L HA 0.500 4.840 4.340 -0.000 0.000 0.288 35 L C 0.460 177.353 176.870 0.039 0.000 1.033 35 L CA -0.121 54.715 54.840 -0.007 0.000 0.807 35 L CB 0.718 42.779 42.059 0.003 0.000 1.209 35 L HN 0.632 nan 8.230 nan 0.000 0.423 36 I N 2.848 123.448 120.570 0.051 0.000 2.330 36 I HA -0.012 4.158 4.170 -0.000 0.000 0.229 36 I C 0.662 176.836 176.117 0.094 0.000 1.063 36 I CA 0.691 62.049 61.300 0.096 0.000 1.367 36 I CB -0.613 37.442 38.000 0.092 0.000 1.158 36 I HN 0.708 nan 8.210 nan 0.000 0.411 37 N N 0.616 119.361 118.700 0.076 0.000 2.455 37 N HA 0.335 5.075 4.740 -0.000 0.000 0.280 37 N C 0.004 175.551 175.510 0.060 0.000 1.055 37 N CA -0.202 52.892 53.050 0.073 0.000 0.961 37 N CB 1.339 39.867 38.487 0.067 0.000 1.121 37 N HN 0.301 nan 8.380 nan 0.000 0.476 38 A N 1.803 124.663 122.820 0.068 0.000 3.019 38 A HA 0.095 4.415 4.320 -0.000 0.000 0.262 38 A C 0.859 178.481 177.584 0.063 0.000 1.509 38 A CA -0.480 51.593 52.037 0.060 0.000 1.159 38 A CB -1.081 17.964 19.000 0.076 0.000 1.042 38 A HN 0.722 nan 8.150 nan 0.000 0.641 39 T N -3.221 111.366 114.554 0.055 0.000 2.833 39 T HA 0.510 4.860 4.350 -0.000 0.000 0.312 39 T C 1.654 176.396 174.700 0.070 0.000 1.085 39 T CA 0.015 62.149 62.100 0.056 0.000 0.955 39 T CB 0.428 69.318 68.868 0.038 0.000 1.353 39 T HN 0.520 nan 8.240 nan 0.000 0.544 40 A N 0.418 123.283 122.820 0.075 0.000 1.902 40 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 40 A C 2.504 180.109 177.584 0.034 0.000 1.181 40 A CA 2.221 54.319 52.037 0.101 0.000 0.623 40 A CB -1.914 17.151 19.000 0.108 0.000 0.818 40 A HN 0.886 nan 8.150 nan 0.000 0.443 41 T N -0.166 114.393 114.554 0.009 0.000 2.652 41 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 41 T C 1.998 176.694 174.700 -0.006 0.000 1.039 41 T CA 1.616 63.714 62.100 -0.004 0.000 1.153 41 T CB -0.825 68.054 68.868 0.019 0.000 0.863 41 T HN 0.580 nan 8.240 nan 0.000 0.428 42 G N 0.388 109.191 108.800 0.006 0.000 2.418 42 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 42 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 42 G C 1.742 176.610 174.900 -0.054 0.000 1.158 42 G CA 1.405 46.497 45.100 -0.015 0.000 0.771 42 G HN 0.455 nan 8.290 nan 0.000 0.545 43 T N 0.188 114.729 114.554 -0.022 0.000 2.788 43 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 43 T C 2.337 176.976 174.700 -0.102 0.000 1.044 43 T CA 1.532 63.594 62.100 -0.063 0.000 1.139 43 T CB -0.124 68.818 68.868 0.123 0.000 0.867 43 T HN 0.207 nan 8.240 nan 0.000 0.454 44 E N 0.695 120.893 120.200 -0.004 0.000 2.072 44 E HA 0.018 4.368 4.350 -0.000 0.000 0.190 44 E C 2.275 178.827 176.600 -0.079 0.000 0.982 44 E CA 0.670 57.067 56.400 -0.005 0.000 0.803 44 E CB -0.330 29.345 29.700 -0.042 0.000 0.755 44 E HN 0.553 nan 8.360 nan 0.000 0.453 45 I N 0.695 121.210 120.570 -0.091 0.000 2.127 45 I HA -0.279 3.891 4.170 -0.000 0.000 0.241 45 I C 2.447 178.476 176.117 -0.147 0.000 1.075 45 I CA 0.745 61.982 61.300 -0.104 0.000 1.334 45 I CB -0.286 37.667 38.000 -0.080 0.000 1.040 45 I HN 0.097 nan 8.210 nan 0.000 0.405 46 L N 1.143 122.245 121.223 -0.202 0.000 2.083 46 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 46 L C 2.448 179.114 176.870 -0.340 0.000 1.083 46 L CA 1.804 56.455 54.840 -0.315 0.000 0.752 46 L CB -0.894 40.902 42.059 -0.438 0.000 0.899 46 L HN 0.134 nan 8.230 nan 0.000 0.433 47 K N -0.120 120.090 120.400 -0.317 0.000 2.063 47 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 47 K C 1.512 178.049 176.600 -0.105 0.000 1.048 47 K CA 1.566 57.705 56.287 -0.247 0.000 0.928 47 K CB -0.313 32.115 32.500 -0.121 0.000 0.713 47 K HN 0.454 nan 8.250 nan 0.000 0.442 48 N N 0.813 119.458 118.700 -0.093 0.000 2.521 48 N HA -0.040 4.700 4.740 -0.000 0.000 0.188 48 N C 1.554 177.028 175.510 -0.059 0.000 1.146 48 N CA 0.457 53.471 53.050 -0.060 0.000 0.893 48 N CB 0.252 38.693 38.487 -0.077 0.000 0.975 48 N HN 0.282 nan 8.380 nan 0.000 0.451 49 L N -0.746 120.421 121.223 -0.094 0.000 2.467 49 L HA 0.126 4.466 4.340 -0.000 0.000 0.213 49 L C 1.954 178.790 176.870 -0.056 0.000 1.053 49 L CA 0.214 55.004 54.840 -0.085 0.000 0.847 49 L CB 0.036 42.029 42.059 -0.109 0.000 1.075 49 L HN -0.140 nan 8.230 nan 0.000 0.479 50 V N 0.502 120.367 119.914 -0.082 0.000 2.358 50 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 50 V C 2.419 178.551 176.094 0.063 0.000 1.047 50 V CA 1.472 63.764 62.300 -0.012 0.000 1.035 50 V CB -0.275 31.502 31.823 -0.077 0.000 0.658 50 V HN 0.297 nan 8.190 nan 0.000 0.452 51 L N -0.091 121.167 121.223 0.059 0.000 1.990 51 L HA -0.163 4.177 4.340 -0.000 0.000 0.213 51 L C 0.100 177.072 176.870 0.170 0.000 1.072 51 L CA 2.059 56.971 54.840 0.121 0.000 0.755 51 L CB -1.774 40.342 42.059 0.095 0.000 0.889 51 L HN 0.361 nan 8.230 nan 0.000 0.432 52 P HA -0.096 nan 4.420 nan 0.000 0.222 52 P C 0.675 177.869 177.300 -0.176 0.000 1.147 52 P CA 1.673 64.812 63.100 0.065 0.000 0.790 52 P CB 0.066 31.840 31.700 0.124 0.000 0.780 53 G N -1.213 107.557 108.800 -0.049 0.000 2.145 53 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.176 53 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.176 53 G C 0.032 174.900 174.900 -0.053 0.000 1.013 53 G CA -0.526 44.532 45.100 -0.069 0.000 0.689 53 G HN 0.378 nan 8.290 nan 0.000 0.506 54 I N 1.078 121.631 120.570 -0.028 0.000 2.948 54 I HA 0.262 4.432 4.170 -0.000 0.000 0.303 54 I C 1.946 178.079 176.117 0.026 0.000 1.224 54 I CA 1.327 62.616 61.300 -0.017 0.000 1.442 54 I CB 0.563 38.567 38.000 0.007 0.000 1.328 54 I HN 0.241 nan 8.210 nan 0.000 0.578 55 G N 5.238 114.042 108.800 0.007 0.000 2.672 55 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 55 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 55 G C 0.205 175.092 174.900 -0.021 0.000 1.238 55 G CA 1.142 46.242 45.100 -0.001 0.000 0.791 55 G HN 0.824 nan 8.290 nan 0.000 0.606 56 S N -1.591 114.075 115.700 -0.056 0.000 2.547 56 S HA 0.639 5.109 4.470 -0.000 0.000 0.270 56 S C -0.913 173.632 174.600 -0.091 0.000 1.150 56 S CA -0.826 57.257 58.200 -0.194 0.000 0.850 56 S CB 1.874 64.787 63.200 -0.478 0.000 1.118 56 S HN 1.056 nan 8.310 nan 0.000 0.461 57 F N -1.225 118.668 119.950 -0.095 0.000 2.650 57 F HA 0.953 5.480 4.527 -0.000 0.000 0.320 57 F C -0.917 175.025 175.800 0.238 0.000 1.091 57 F CA -0.799 57.277 58.000 0.126 0.000 0.962 57 F CB 1.615 40.657 39.000 0.069 0.000 1.363 57 F HN 0.576 nan 8.300 nan 0.000 0.482 58 T N 2.695 117.551 114.554 0.503 0.000 3.011 58 T HA 0.512 4.862 4.350 -0.000 0.000 0.303 58 T C -0.829 174.073 174.700 0.337 0.000 0.997 58 T CA -0.375 61.955 62.100 0.384 0.000 1.007 58 T CB 1.198 70.365 68.868 0.499 0.000 1.017 58 T HN 0.591 nan 8.240 nan 0.000 0.443 59 I N 3.792 124.586 120.570 0.374 0.000 2.331 59 I HA 0.450 4.620 4.170 -0.000 0.000 0.292 59 I C -0.239 176.039 176.117 0.268 0.000 0.998 59 I CA -0.693 60.785 61.300 0.298 0.000 1.267 59 I CB 1.191 39.376 38.000 0.307 0.000 1.386 59 I HN 0.496 nan 8.210 nan 0.000 0.476 60 I N 5.964 126.657 120.570 0.206 0.000 2.388 60 I HA 0.285 4.455 4.170 -0.000 0.000 0.281 60 I C -0.738 175.478 176.117 0.165 0.000 1.046 60 I CA -0.077 61.340 61.300 0.196 0.000 1.187 60 I CB 0.742 38.869 38.000 0.212 0.000 1.351 60 I HN 0.516 nan 8.210 nan 0.000 0.472 61 D N 3.871 124.367 120.400 0.160 0.000 2.863 61 D HA 0.337 4.977 4.640 -0.000 0.000 0.245 61 D C 0.541 176.909 176.300 0.114 0.000 1.211 61 D CA -0.346 53.730 54.000 0.125 0.000 0.888 61 D CB 2.577 43.443 40.800 0.110 0.000 1.483 61 D HN 0.543 nan 8.370 nan 0.000 0.533 62 G N 2.968 111.826 108.800 0.097 0.000 2.595 62 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.213 62 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.213 62 G C 0.795 175.740 174.900 0.074 0.000 1.141 62 G CA -0.132 45.019 45.100 0.084 0.000 0.806 62 G HN 0.430 nan 8.290 nan 0.000 0.530 63 N N 0.994 119.737 118.700 0.072 0.000 2.340 63 N HA 0.086 4.826 4.740 -0.000 0.000 0.236 63 N C -0.112 175.431 175.510 0.054 0.000 1.296 63 N CA 0.487 53.575 53.050 0.063 0.000 0.896 63 N CB 0.544 39.070 38.487 0.064 0.000 1.127 63 N HN 0.279 nan 8.380 nan 0.000 0.442 64 Q N 0.223 120.052 119.800 0.048 0.000 2.245 64 Q HA 0.351 4.691 4.340 -0.000 0.000 0.256 64 Q C -0.541 175.482 176.000 0.038 0.000 0.942 64 Q CA -0.784 55.043 55.803 0.040 0.000 0.896 64 Q CB 1.734 30.494 28.738 0.037 0.000 1.272 64 Q HN 0.285 nan 8.270 nan 0.000 0.442 65 V N 2.813 122.747 119.914 0.034 0.000 2.540 65 V HA 0.004 4.124 4.120 -0.000 0.000 0.297 65 V C 0.586 176.697 176.094 0.028 0.000 1.024 65 V CA 0.240 62.559 62.300 0.033 0.000 1.105 65 V CB 0.302 32.146 31.823 0.034 0.000 0.938 65 V HN 0.886 nan 8.190 nan 0.000 0.482 66 S N 4.156 119.872 115.700 0.026 0.000 2.745 66 S HA 0.593 5.063 4.470 -0.000 0.000 0.292 66 S C 1.348 175.956 174.600 0.014 0.000 1.127 66 S CA -0.048 58.165 58.200 0.022 0.000 1.007 66 S CB 1.438 64.654 63.200 0.026 0.000 1.165 66 S HN 0.779 nan 8.310 nan 0.000 0.544 67 G N 0.607 109.414 108.800 0.011 0.000 2.414 67 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.215 67 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.215 67 G C 1.227 176.127 174.900 -0.001 0.000 1.188 67 G CA 0.843 45.945 45.100 0.004 0.000 0.783 67 G HN 0.935 nan 8.290 nan 0.000 0.537 68 E N 0.333 120.534 120.200 0.002 0.000 2.338 68 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 68 E C 1.437 178.038 176.600 0.001 0.000 1.007 68 E CA 0.995 57.394 56.400 -0.003 0.000 0.849 68 E CB -0.103 29.595 29.700 -0.005 0.000 0.774 68 E HN 0.219 nan 8.360 nan 0.000 0.506 69 D N 1.611 122.016 120.400 0.008 0.000 2.084 69 D HA -0.067 4.573 4.640 -0.000 0.000 0.196 69 D C 2.046 178.349 176.300 0.006 0.000 0.985 69 D CA 1.747 55.757 54.000 0.016 0.000 0.826 69 D CB -0.271 40.544 40.800 0.024 0.000 0.978 69 D HN 0.300 nan 8.370 nan 0.000 0.456 70 A N 0.435 123.249 122.820 -0.010 0.000 2.067 70 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 70 A C 2.239 179.791 177.584 -0.054 0.000 1.158 70 A CA 1.801 53.813 52.037 -0.042 0.000 0.661 70 A CB -0.730 18.244 19.000 -0.044 0.000 0.801 70 A HN 0.299 nan 8.150 nan 0.000 0.452 71 G N 0.562 109.343 108.800 -0.032 0.000 2.448 71 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 71 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 71 G C 1.067 175.947 174.900 -0.033 0.000 1.135 71 G CA 0.978 46.056 45.100 -0.036 0.000 0.784 71 G HN 0.870 nan 8.290 nan 0.000 0.543 72 N N -1.579 117.122 118.700 0.001 0.000 2.177 72 N HA 0.090 4.830 4.740 -0.000 0.000 0.218 72 N C -0.121 175.472 175.510 0.138 0.000 1.182 72 N CA -0.440 52.638 53.050 0.048 0.000 0.882 72 N CB 0.324 38.861 38.487 0.083 0.000 1.052 72 N HN -0.024 nan 8.380 nan 0.000 0.519 73 N N 0.703 119.447 118.700 0.073 0.000 2.392 73 N HA 0.114 4.854 4.740 -0.000 0.000 0.283 73 N C -0.952 174.576 175.510 0.029 0.000 1.003 73 N CA -0.558 52.575 53.050 0.138 0.000 0.892 73 N CB 1.059 39.611 38.487 0.108 0.000 1.193 73 N HN 0.087 nan 8.380 nan 0.000 0.487 74 F N 3.007 122.886 119.950 -0.118 0.000 2.811 74 F HA 0.274 4.801 4.527 -0.000 0.000 0.301 74 F C 0.017 175.292 175.800 -0.875 0.000 1.151 74 F CA 0.210 57.925 58.000 -0.475 0.000 1.412 74 F CB -0.015 38.690 39.000 -0.491 0.000 1.113 74 F HN 0.414 nan 8.300 nan 0.000 0.579 75 F N 0.615 120.460 119.950 -0.176 0.000 2.814 75 F HA 0.385 4.912 4.527 -0.000 0.000 0.326 75 F C -0.733 174.842 175.800 -0.375 0.000 1.159 75 F CA -0.227 57.599 58.000 -0.290 0.000 1.234 75 F CB 0.288 39.296 39.000 0.013 0.000 1.016 75 F HN -0.350 nan 8.300 nan 0.000 0.510 76 L N 0.653 121.632 121.223 -0.407 0.000 2.505 76 L HA 0.418 4.758 4.340 -0.000 0.000 0.266 76 L C -0.696 175.955 176.870 -0.365 0.000 0.954 76 L CA -0.567 54.121 54.840 -0.253 0.000 0.852 76 L CB 2.398 44.435 42.059 -0.037 0.000 1.282 76 L HN 0.037 nan 8.230 nan 0.000 0.403 77 Q N 1.163 120.789 119.800 -0.290 0.000 2.252 77 Q HA 0.413 4.753 4.340 -0.000 0.000 0.256 77 Q C 0.659 176.622 176.000 -0.062 0.000 1.020 77 Q CA -0.747 54.935 55.803 -0.202 0.000 0.913 77 Q CB 2.627 31.278 28.738 -0.144 0.000 1.286 77 Q HN 0.493 nan 8.270 nan 0.000 0.480 78 R N 0.372 120.838 120.500 -0.055 0.000 2.103 78 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 78 R C 1.899 178.203 176.300 0.005 0.000 1.142 78 R CA 2.313 58.399 56.100 -0.024 0.000 0.960 78 R CB -0.255 30.030 30.300 -0.026 0.000 0.858 78 R HN 0.743 nan 8.270 nan 0.000 0.439 79 S N -0.358 115.355 115.700 0.022 0.000 2.493 79 S HA -0.120 4.350 4.470 -0.000 0.000 0.243 79 S C 1.506 176.139 174.600 0.055 0.000 0.991 79 S CA 1.192 59.417 58.200 0.042 0.000 0.957 79 S CB -0.121 63.116 63.200 0.061 0.000 0.756 79 S HN 0.484 nan 8.310 nan 0.000 0.521 80 S N 0.189 115.930 115.700 0.069 0.000 2.602 80 S HA 0.427 4.897 4.470 -0.000 0.000 0.240 80 S C 0.237 174.863 174.600 0.044 0.000 0.992 80 S CA -0.769 57.474 58.200 0.073 0.000 0.971 80 S CB -0.532 62.753 63.200 0.142 0.000 0.855 80 S HN 0.479 nan 8.310 nan 0.000 0.481 81 I N 2.484 123.071 120.570 0.029 0.000 2.533 81 I HA 0.409 4.579 4.170 -0.000 0.000 0.284 81 I C 1.493 177.623 176.117 0.022 0.000 1.109 81 I CA 0.926 62.239 61.300 0.021 0.000 1.412 81 I CB 0.447 38.455 38.000 0.013 0.000 1.396 81 I HN 0.531 nan 8.210 nan 0.000 0.543 82 G N 5.289 114.103 108.800 0.023 0.000 2.313 82 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.215 82 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.215 82 G C 0.422 175.336 174.900 0.022 0.000 1.023 82 G CA -0.478 44.636 45.100 0.023 0.000 0.626 82 G HN 0.539 nan 8.290 nan 0.000 0.503 83 K N 0.725 121.137 120.400 0.020 0.000 2.273 83 K HA 0.307 4.627 4.320 -0.000 0.000 0.240 83 K C 0.379 176.984 176.600 0.009 0.000 1.056 83 K CA -0.371 55.923 56.287 0.011 0.000 0.910 83 K CB 0.338 32.839 32.500 0.003 0.000 1.196 83 K HN 0.241 nan 8.250 nan 0.000 0.509 84 N N 1.530 120.223 118.700 -0.011 0.000 2.470 84 N HA -0.043 4.697 4.740 -0.000 0.000 0.268 84 N C 0.752 176.248 175.510 -0.024 0.000 1.136 84 N CA 0.080 53.124 53.050 -0.011 0.000 0.961 84 N CB 0.726 39.201 38.487 -0.020 0.000 1.067 84 N HN 0.455 nan 8.380 nan 0.000 0.468 85 R N 3.389 123.899 120.500 0.016 0.000 2.127 85 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 85 R C 1.641 177.957 176.300 0.026 0.000 1.134 85 R CA 1.680 57.800 56.100 0.032 0.000 0.975 85 R CB -0.168 30.163 30.300 0.051 0.000 0.865 85 R HN 0.740 nan 8.270 nan 0.000 0.447 86 A N 0.795 123.626 122.820 0.017 0.000 1.873 86 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 86 A C 2.001 179.507 177.584 -0.131 0.000 1.186 86 A CA 1.487 53.546 52.037 0.037 0.000 0.616 86 A CB -0.511 18.578 19.000 0.148 0.000 0.823 86 A HN 0.542 nan 8.150 nan 0.000 0.442 87 E N -0.034 119.889 120.200 -0.461 0.000 2.051 87 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 87 E C 2.141 178.541 176.600 -0.333 0.000 0.991 87 E CA 1.066 56.927 56.400 -0.899 0.000 0.799 87 E CB -0.294 28.742 29.700 -1.108 0.000 0.748 87 E HN 0.490 nan 8.360 nan 0.000 0.449 88 A N 1.409 124.144 122.820 -0.142 0.000 1.892 88 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 88 A C 2.443 180.144 177.584 0.195 0.000 1.188 88 A CA 2.322 54.382 52.037 0.038 0.000 0.631 88 A CB -1.016 18.038 19.000 0.089 0.000 0.822 88 A HN 0.452 nan 8.150 nan 0.000 0.447 89 A N -1.182 121.741 122.820 0.171 0.000 1.898 89 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 89 A C 2.247 179.972 177.584 0.234 0.000 1.181 89 A CA 1.782 53.968 52.037 0.249 0.000 0.620 89 A CB -0.555 18.536 19.000 0.152 0.000 0.819 89 A HN 0.540 nan 8.150 nan 0.000 0.442 90 M N -0.115 119.591 119.600 0.176 0.000 2.108 90 M HA -0.251 4.229 4.480 -0.000 0.000 0.257 90 M C 1.891 178.311 176.300 0.199 0.000 1.071 90 M CA 2.270 57.726 55.300 0.260 0.000 1.093 90 M CB -0.517 32.205 32.600 0.203 0.000 1.345 90 M HN 0.603 nan 8.290 nan 0.000 0.403 91 E N -0.753 119.488 120.200 0.068 0.000 2.047 91 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 91 E C 1.767 178.342 176.600 -0.043 0.000 0.987 91 E CA 1.545 57.911 56.400 -0.057 0.000 0.799 91 E CB -0.307 29.246 29.700 -0.245 0.000 0.752 91 E HN 0.510 nan 8.360 nan 0.000 0.449 92 F N 0.901 120.937 119.950 0.144 0.000 2.186 92 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 92 F C 2.193 178.190 175.800 0.329 0.000 1.090 92 F CA 0.691 58.825 58.000 0.222 0.000 1.307 92 F CB -0.122 39.039 39.000 0.268 0.000 1.019 92 F HN -0.058 nan 8.300 nan 0.000 0.489 93 L N -0.434 121.028 121.223 0.397 0.000 2.056 93 L HA -0.229 4.111 4.340 -0.000 0.000 0.207 93 L C 2.530 179.522 176.870 0.202 0.000 1.078 93 L CA 1.106 55.998 54.840 0.086 0.000 0.749 93 L CB -0.618 41.323 42.059 -0.197 0.000 0.901 93 L HN 0.113 nan 8.230 nan 0.000 0.433 94 Q N 0.730 120.690 119.800 0.268 0.000 2.173 94 Q HA -0.280 4.060 4.340 -0.000 0.000 0.208 94 Q C 1.903 178.009 176.000 0.176 0.000 0.989 94 Q CA 1.882 57.827 55.803 0.237 0.000 0.872 94 Q CB -0.119 28.714 28.738 0.158 0.000 0.909 94 Q HN 0.464 nan 8.270 nan 0.000 0.420 95 E N -0.510 119.795 120.200 0.175 0.000 2.204 95 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 95 E C 1.893 178.594 176.600 0.167 0.000 0.990 95 E CA 0.945 57.437 56.400 0.153 0.000 0.821 95 E CB -0.136 29.661 29.700 0.162 0.000 0.750 95 E HN 0.419 nan 8.360 nan 0.000 0.477 96 L N 0.403 121.748 121.223 0.204 0.000 2.083 96 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 96 L C 1.134 178.095 176.870 0.151 0.000 1.083 96 L CA 0.627 55.581 54.840 0.190 0.000 0.752 96 L CB -0.074 42.103 42.059 0.197 0.000 0.899 96 L HN 0.075 nan 8.230 nan 0.000 0.433 97 N N -1.318 117.472 118.700 0.150 0.000 2.572 97 N HA 0.030 4.770 4.740 -0.000 0.000 0.287 97 N C 0.462 176.050 175.510 0.131 0.000 1.136 97 N CA 0.233 53.369 53.050 0.144 0.000 0.900 97 N CB 1.623 40.216 38.487 0.176 0.000 1.484 97 N HN -0.068 nan 8.380 nan 0.000 0.526 98 S N 1.510 117.270 115.700 0.100 0.000 2.515 98 S HA -0.031 4.439 4.470 -0.000 0.000 0.231 98 S C 0.478 175.125 174.600 0.078 0.000 0.987 98 S CA 0.752 58.999 58.200 0.078 0.000 0.936 98 S CB 0.112 63.345 63.200 0.054 0.000 0.766 98 S HN 0.443 nan 8.310 nan 0.000 0.528 99 D N 1.203 121.666 120.400 0.105 0.000 2.340 99 D HA 0.214 4.854 4.640 -0.000 0.000 0.220 99 D C -0.051 176.310 176.300 0.102 0.000 1.039 99 D CA 0.170 54.235 54.000 0.109 0.000 0.866 99 D CB 0.396 41.294 40.800 0.164 0.000 0.913 99 D HN 0.299 nan 8.370 nan 0.000 0.523 100 V N 1.076 121.057 119.914 0.112 0.000 2.483 100 V HA 0.340 4.460 4.120 -0.000 0.000 0.295 100 V C 0.214 176.338 176.094 0.050 0.000 1.035 100 V CA -0.956 61.412 62.300 0.113 0.000 0.896 100 V CB 1.870 33.819 31.823 0.210 0.000 0.986 100 V HN 0.055 nan 8.190 nan 0.000 0.447 101 S N 2.730 118.401 115.700 -0.048 0.000 2.438 101 S HA 0.743 5.213 4.470 -0.000 0.000 0.316 101 S C 0.072 174.423 174.600 -0.415 0.000 1.084 101 S CA -0.444 57.661 58.200 -0.157 0.000 1.107 101 S CB 1.300 64.415 63.200 -0.141 0.000 0.981 101 S HN 1.071 nan 8.310 nan 0.000 0.466 102 G N 1.753 110.244 108.800 -0.515 0.000 2.412 102 G HA2 0.648 4.608 3.960 -0.000 0.000 0.318 102 G HA3 0.648 4.608 3.960 -0.000 0.000 0.318 102 G C -0.756 173.867 174.900 -0.461 0.000 1.146 102 G CA -0.700 43.772 45.100 -1.048 0.000 0.882 102 G HN 0.772 nan 8.290 nan 0.000 0.501 103 S N -1.103 114.377 115.700 -0.367 0.000 2.638 103 S HA 0.793 5.262 4.470 -0.000 0.000 0.274 103 S C -1.324 173.386 174.600 0.183 0.000 1.157 103 S CA -0.560 57.615 58.200 -0.041 0.000 0.826 103 S CB 1.679 64.869 63.200 -0.016 0.000 1.139 103 S HN 1.055 nan 8.310 nan 0.000 0.474 104 F N -1.227 118.761 119.950 0.063 0.000 2.668 104 F HA 0.877 5.404 4.527 -0.000 0.000 0.309 104 F C -1.947 173.906 175.800 0.089 0.000 1.117 104 F CA -1.037 57.025 58.000 0.102 0.000 0.951 104 F CB 0.923 39.979 39.000 0.094 0.000 1.323 104 F HN 0.309 nan 8.300 nan 0.000 0.451 105 V N 1.911 121.963 119.914 0.230 0.000 2.409 105 V HA 0.270 4.389 4.120 -0.000 0.000 0.290 105 V C -0.162 176.064 176.094 0.219 0.000 1.017 105 V CA -0.592 61.752 62.300 0.073 0.000 0.841 105 V CB 1.373 33.193 31.823 -0.005 0.000 1.003 105 V HN 0.907 nan 8.190 nan 0.000 0.426 106 E N 3.497 123.841 120.200 0.239 0.000 2.379 106 E HA 0.120 4.470 4.350 -0.000 0.000 0.209 106 E C 0.043 176.709 176.600 0.110 0.000 1.284 106 E CA 0.145 56.680 56.400 0.224 0.000 1.333 106 E CB 0.275 30.123 29.700 0.246 0.000 1.307 106 E HN 0.693 nan 8.360 nan 0.000 0.441 107 E N -0.142 120.103 120.200 0.075 0.000 2.392 107 E HA 0.250 4.600 4.350 -0.000 0.000 0.269 107 E C -0.587 176.052 176.600 0.065 0.000 0.924 107 E CA -0.732 55.694 56.400 0.043 0.000 0.784 107 E CB 1.708 31.399 29.700 -0.014 0.000 1.292 107 E HN 0.099 nan 8.360 nan 0.000 0.447 108 S N 0.467 116.207 115.700 0.067 0.000 2.632 108 S HA 0.224 4.694 4.470 -0.000 0.000 0.267 108 S C -2.040 172.630 174.600 0.117 0.000 1.276 108 S CA -1.043 57.211 58.200 0.090 0.000 0.998 108 S CB 1.248 64.498 63.200 0.082 0.000 0.953 108 S HN 0.208 nan 8.310 nan 0.000 0.547 109 P HA -0.079 nan 4.420 nan 0.000 0.214 109 P C 1.545 178.952 177.300 0.178 0.000 1.162 109 P CA 1.021 64.247 63.100 0.209 0.000 0.879 109 P CB 0.019 31.816 31.700 0.161 0.000 0.786 110 E N -0.367 119.906 120.200 0.122 0.000 2.049 110 E HA -0.258 4.092 4.350 -0.000 0.000 0.198 110 E C 1.922 178.580 176.600 0.096 0.000 1.007 110 E CA 1.134 57.594 56.400 0.100 0.000 0.809 110 E CB -1.301 28.447 29.700 0.080 0.000 0.749 110 E HN 0.267 nan 8.360 nan 0.000 0.450 111 N N 1.299 120.048 118.700 0.081 0.000 2.036 111 N HA -0.196 4.544 4.740 -0.000 0.000 0.195 111 N C 2.124 177.668 175.510 0.056 0.000 1.037 111 N CA 1.346 54.429 53.050 0.056 0.000 0.855 111 N CB -0.427 38.083 38.487 0.039 0.000 1.033 111 N HN 0.162 nan 8.380 nan 0.000 0.423 112 L N 0.653 121.920 121.223 0.073 0.000 2.017 112 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 112 L C 2.585 179.555 176.870 0.166 0.000 1.073 112 L CA 0.742 55.621 54.840 0.066 0.000 0.745 112 L CB -0.437 41.659 42.059 0.062 0.000 0.894 112 L HN 0.189 nan 8.230 nan 0.000 0.432 113 L N -0.591 120.774 121.223 0.236 0.000 2.187 113 L HA -0.248 4.092 4.340 -0.000 0.000 0.213 113 L C 2.036 178.990 176.870 0.140 0.000 1.100 113 L CA 0.968 55.943 54.840 0.225 0.000 0.765 113 L CB -0.505 41.656 42.059 0.169 0.000 0.904 113 L HN 0.371 nan 8.230 nan 0.000 0.437 114 D N -0.348 120.113 120.400 0.102 0.000 2.255 114 D HA -0.078 4.562 4.640 -0.000 0.000 0.224 114 D C 1.743 178.078 176.300 0.058 0.000 0.997 114 D CA 0.915 54.957 54.000 0.070 0.000 0.906 114 D CB -0.225 40.607 40.800 0.054 0.000 1.047 114 D HN 0.263 nan 8.370 nan 0.000 0.458 115 N N 0.883 119.608 118.700 0.042 0.000 2.453 115 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 115 N C -0.219 175.305 175.510 0.023 0.000 1.041 115 N CA 0.869 53.932 53.050 0.022 0.000 0.900 115 N CB 0.334 38.820 38.487 -0.002 0.000 0.961 115 N HN 0.210 nan 8.380 nan 0.000 0.443 116 D N -1.524 118.904 120.400 0.047 0.000 2.684 116 D HA 0.164 4.804 4.640 -0.000 0.000 0.233 116 D C -2.383 174.003 176.300 0.144 0.000 1.374 116 D CA -1.022 53.016 54.000 0.063 0.000 0.906 116 D CB 0.853 41.654 40.800 0.003 0.000 1.526 116 D HN -0.179 nan 8.370 nan 0.000 0.518 117 P HA -0.081 nan 4.420 nan 0.000 0.216 117 P C 1.420 178.909 177.300 0.315 0.000 1.153 117 P CA 0.999 64.266 63.100 0.280 0.000 0.844 117 P CB 0.155 31.973 31.700 0.196 0.000 0.787 118 S N -1.315 114.503 115.700 0.196 0.000 2.528 118 S HA -0.203 4.267 4.470 -0.000 0.000 0.244 118 S C 1.732 176.404 174.600 0.120 0.000 0.982 118 S CA 0.510 58.798 58.200 0.146 0.000 0.953 118 S CB -1.756 61.494 63.200 0.084 0.000 0.754 118 S HN 0.023 nan 8.310 nan 0.000 0.529 119 F N 2.438 122.358 119.950 -0.050 0.000 2.161 119 F HA -0.027 4.500 4.527 -0.000 0.000 0.300 119 F C 1.382 177.012 175.800 -0.284 0.000 1.089 119 F CA 0.808 58.668 58.000 -0.234 0.000 1.282 119 F CB -0.658 38.111 39.000 -0.385 0.000 1.010 119 F HN 0.218 nan 8.300 nan 0.000 0.485 120 F N -0.751 119.198 119.950 -0.001 0.000 2.771 120 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 120 F C 2.268 177.997 175.800 -0.119 0.000 1.177 120 F CA 0.313 58.334 58.000 0.035 0.000 1.450 120 F CB -1.307 37.820 39.000 0.212 0.000 1.114 120 F HN -0.013 nan 8.300 nan 0.000 0.587 121 C N -0.032 119.219 119.300 -0.081 0.000 2.491 121 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 121 C C 2.493 177.315 174.990 -0.280 0.000 1.455 121 C CA 0.263 59.216 59.018 -0.108 0.000 1.758 121 C CB -1.461 26.237 27.740 -0.071 0.000 1.745 121 C HN 0.454 nan 8.230 nan 0.000 0.558 122 R N 0.271 120.392 120.500 -0.632 0.000 2.090 122 R HA 0.049 4.389 4.340 -0.000 0.000 0.228 122 R C 0.178 176.037 176.300 -0.735 0.000 1.110 122 R CA 0.706 56.321 56.100 -0.809 0.000 0.973 122 R CB -0.267 29.226 30.300 -1.346 0.000 0.869 122 R HN 0.429 nan 8.270 nan 0.000 0.440 123 F N 0.342 120.125 119.950 -0.278 0.000 2.418 123 F HA 0.082 4.609 4.527 -0.000 0.000 0.341 123 F C 1.786 177.544 175.800 -0.070 0.000 1.120 123 F CA -0.299 57.586 58.000 -0.192 0.000 1.232 123 F CB 0.824 39.739 39.000 -0.142 0.000 1.175 123 F HN -0.192 nan 8.300 nan 0.000 0.569 124 T N 1.072 115.732 114.554 0.176 0.000 2.851 124 T HA 0.065 4.415 4.350 -0.000 0.000 0.262 124 T C 0.350 175.107 174.700 0.094 0.000 1.043 124 T CA 0.879 63.040 62.100 0.102 0.000 1.140 124 T CB 0.045 68.970 68.868 0.094 0.000 0.872 124 T HN 0.270 nan 8.240 nan 0.000 0.446 125 V N 0.296 120.281 119.914 0.119 0.000 3.147 125 V HA 0.542 4.662 4.120 -0.000 0.000 0.306 125 V C -1.211 174.914 176.094 0.051 0.000 1.209 125 V CA -1.037 61.302 62.300 0.065 0.000 1.023 125 V CB 2.649 34.484 31.823 0.021 0.000 1.059 125 V HN -0.092 nan 8.190 nan 0.000 0.435 126 V N 2.462 122.385 119.914 0.014 0.000 2.483 126 V HA 0.511 4.631 4.120 -0.000 0.000 0.297 126 V C -0.617 175.459 176.094 -0.029 0.000 1.027 126 V CA -0.529 61.751 62.300 -0.034 0.000 0.855 126 V CB 1.961 33.772 31.823 -0.019 0.000 0.995 126 V HN 0.615 nan 8.190 nan 0.000 0.424 127 V N 4.416 124.309 119.914 -0.035 0.000 2.370 127 V HA 0.804 4.924 4.120 -0.000 0.000 0.283 127 V C 0.381 176.476 176.094 0.002 0.000 1.023 127 V CA -0.401 61.892 62.300 -0.011 0.000 0.857 127 V CB 1.536 33.348 31.823 -0.018 0.000 0.985 127 V HN 0.953 nan 8.190 nan 0.000 0.443 128 A N 3.866 126.699 122.820 0.022 0.000 2.342 128 A HA 0.907 5.227 4.320 -0.000 0.000 0.323 128 A C 0.095 177.715 177.584 0.060 0.000 1.125 128 A CA -0.421 51.639 52.037 0.038 0.000 0.785 128 A CB 1.458 20.475 19.000 0.028 0.000 1.221 128 A HN 0.909 nan 8.150 nan 0.000 0.463 129 T N -0.097 114.493 114.554 0.060 0.000 2.893 129 T HA 0.531 4.881 4.350 -0.000 0.000 0.291 129 T C -0.432 174.307 174.700 0.064 0.000 1.028 129 T CA -0.573 61.568 62.100 0.068 0.000 0.995 129 T CB 1.426 70.325 68.868 0.051 0.000 1.051 129 T HN 0.820 nan 8.240 nan 0.000 0.470 130 Q N 0.719 120.559 119.800 0.066 0.000 2.453 130 Q HA -0.143 4.197 4.340 -0.000 0.000 0.294 130 Q C -0.365 175.660 176.000 0.043 0.000 1.295 130 Q CA 0.547 56.376 55.803 0.042 0.000 0.853 130 Q CB -2.294 26.456 28.738 0.021 0.000 1.193 130 Q HN 0.782 nan 8.270 nan 0.000 0.461 131 L N 0.268 121.524 121.223 0.055 0.000 2.399 131 L HA 0.485 4.825 4.340 -0.000 0.000 0.265 131 L C -1.650 175.247 176.870 0.045 0.000 1.089 131 L CA -1.931 52.942 54.840 0.054 0.000 0.802 131 L CB 0.464 42.554 42.059 0.052 0.000 1.180 131 L HN -0.101 nan 8.230 nan 0.000 0.454 132 P HA 0.209 nan 4.420 nan 0.000 0.282 132 P C 0.148 177.473 177.300 0.041 0.000 1.259 132 P CA -0.643 62.490 63.100 0.056 0.000 0.826 132 P CB 0.920 32.674 31.700 0.090 0.000 1.064 133 E N 0.525 120.751 120.200 0.043 0.000 2.068 133 E HA -0.261 4.089 4.350 -0.000 0.000 0.207 133 E C 1.884 178.472 176.600 -0.020 0.000 1.032 133 E CA 2.454 58.856 56.400 0.003 0.000 0.839 133 E CB -0.412 29.325 29.700 0.063 0.000 0.758 133 E HN 0.582 nan 8.360 nan 0.000 0.457 134 S N 0.545 116.263 115.700 0.030 0.000 2.377 134 S HA -0.248 4.221 4.470 -0.000 0.000 0.224 134 S C 2.192 176.796 174.600 0.007 0.000 1.042 134 S CA 2.159 60.372 58.200 0.023 0.000 1.086 134 S CB -1.214 62.016 63.200 0.051 0.000 0.995 134 S HN 0.193 nan 8.310 nan 0.000 0.428 135 T N 2.169 116.739 114.554 0.027 0.000 2.759 135 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 135 T C 2.157 176.853 174.700 -0.007 0.000 1.042 135 T CA 1.583 63.697 62.100 0.024 0.000 1.140 135 T CB -0.690 68.206 68.868 0.047 0.000 0.864 135 T HN 0.513 nan 8.240 nan 0.000 0.455 136 S N 1.427 117.112 115.700 -0.025 0.000 2.344 136 S HA 0.032 4.502 4.470 -0.000 0.000 0.217 136 S C 2.080 176.628 174.600 -0.086 0.000 1.033 136 S CA 0.919 59.090 58.200 -0.049 0.000 1.017 136 S CB -0.617 62.547 63.200 -0.060 0.000 0.941 136 S HN 0.346 nan 8.310 nan 0.000 0.430 137 L N 1.146 122.281 121.223 -0.147 0.000 2.051 137 L HA -0.221 4.119 4.340 -0.000 0.000 0.214 137 L C 2.775 179.600 176.870 -0.075 0.000 1.076 137 L CA 1.620 56.365 54.840 -0.158 0.000 0.758 137 L CB -0.484 41.467 42.059 -0.180 0.000 0.890 137 L HN 0.278 nan 8.230 nan 0.000 0.433 138 R N 0.052 120.525 120.500 -0.044 0.000 2.066 138 R HA -0.202 4.138 4.340 -0.000 0.000 0.232 138 R C 2.350 178.639 176.300 -0.018 0.000 1.131 138 R CA 1.591 57.682 56.100 -0.014 0.000 0.955 138 R CB -0.259 30.046 30.300 0.007 0.000 0.851 138 R HN 0.203 nan 8.270 nan 0.000 0.432 139 L N 0.762 121.960 121.223 -0.042 0.000 2.027 139 L HA -0.020 4.320 4.340 -0.000 0.000 0.206 139 L C 2.283 179.110 176.870 -0.071 0.000 1.074 139 L CA 2.161 56.943 54.840 -0.097 0.000 0.745 139 L CB -0.784 41.193 42.059 -0.137 0.000 0.898 139 L HN 0.240 nan 8.230 nan 0.000 0.433 140 A N -0.748 122.051 122.820 -0.036 0.000 1.917 140 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 140 A C 2.192 179.822 177.584 0.076 0.000 1.182 140 A CA 2.121 54.169 52.037 0.019 0.000 0.633 140 A CB -1.065 17.933 19.000 -0.003 0.000 0.819 140 A HN 0.670 nan 8.150 nan 0.000 0.448 141 D N -0.277 120.142 120.400 0.032 0.000 2.077 141 D HA -0.126 4.514 4.640 -0.000 0.000 0.193 141 D C 2.063 178.433 176.300 0.117 0.000 0.989 141 D CA 1.888 55.922 54.000 0.057 0.000 0.831 141 D CB -0.173 40.634 40.800 0.012 0.000 0.979 141 D HN 0.176 nan 8.370 nan 0.000 0.449 142 V N 1.441 121.397 119.914 0.069 0.000 2.278 142 V HA -0.270 3.850 4.120 -0.000 0.000 0.251 142 V C 2.793 178.943 176.094 0.093 0.000 1.062 142 V CA 1.433 63.781 62.300 0.080 0.000 1.038 142 V CB -0.529 31.328 31.823 0.057 0.000 0.646 142 V HN 0.297 nan 8.190 nan 0.000 0.447 143 L N -1.276 119.979 121.223 0.053 0.000 2.093 143 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 143 L C 2.411 179.345 176.870 0.106 0.000 1.085 143 L CA 1.638 56.508 54.840 0.049 0.000 0.755 143 L CB -0.604 41.443 42.059 -0.020 0.000 0.904 143 L HN 0.580 nan 8.230 nan 0.000 0.435 144 W N 1.949 123.242 121.300 -0.012 0.000 2.335 144 W HA -0.216 4.444 4.660 -0.000 0.000 0.311 144 W C 2.175 178.701 176.519 0.012 0.000 1.213 144 W CA 1.680 59.026 57.345 0.001 0.000 1.274 144 W CB -0.342 29.119 29.460 0.002 0.000 1.148 144 W HN 0.278 nan 8.180 nan 0.000 0.498 145 N N 0.328 119.205 118.700 0.295 0.000 2.142 145 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 145 N C 1.713 177.256 175.510 0.054 0.000 1.023 145 N CA 1.975 55.134 53.050 0.182 0.000 0.852 145 N CB -0.873 37.721 38.487 0.178 0.000 0.998 145 N HN -0.003 nan 8.380 nan 0.000 0.424 146 S N 0.970 116.703 115.700 0.057 0.000 2.547 146 S HA -0.020 4.450 4.470 -0.000 0.000 0.235 146 S C 0.322 174.911 174.600 -0.018 0.000 0.980 146 S CA 0.234 58.454 58.200 0.033 0.000 0.941 146 S CB 0.009 63.252 63.200 0.071 0.000 0.763 146 S HN 0.235 nan 8.310 nan 0.000 0.532 147 Q N -0.288 119.461 119.800 -0.085 0.000 2.503 147 Q HA -0.153 4.187 4.340 -0.000 0.000 0.267 147 Q C -0.665 175.281 176.000 -0.091 0.000 1.030 147 Q CA 0.693 56.409 55.803 -0.145 0.000 1.041 147 Q CB -1.921 26.753 28.738 -0.106 0.000 1.406 147 Q HN 0.433 nan 8.270 nan 0.000 0.524 148 I N 1.315 121.856 120.570 -0.049 0.000 2.336 148 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 148 I C -1.886 174.218 176.117 -0.020 0.000 0.991 148 I CA -2.329 58.968 61.300 -0.005 0.000 1.227 148 I CB 0.956 38.989 38.000 0.056 0.000 1.366 148 I HN -0.221 nan 8.210 nan 0.000 0.466 149 P HA 0.216 nan 4.420 nan 0.000 0.271 149 P C -0.743 176.551 177.300 -0.011 0.000 1.220 149 P CA -0.178 62.904 63.100 -0.031 0.000 0.768 149 P CB 0.704 32.383 31.700 -0.035 0.000 0.848 150 L N 4.852 126.070 121.223 -0.008 0.000 2.386 150 L HA 0.699 5.039 4.340 -0.000 0.000 0.271 150 L C -1.723 175.153 176.870 0.011 0.000 0.993 150 L CA -0.828 54.013 54.840 0.002 0.000 0.819 150 L CB 1.913 43.979 42.059 0.011 0.000 1.294 150 L HN 0.124 nan 8.230 nan 0.000 0.414 151 L N 5.955 127.190 121.223 0.020 0.000 2.372 151 L HA 0.603 4.943 4.340 -0.000 0.000 0.273 151 L C -1.230 175.682 176.870 0.069 0.000 0.989 151 L CA -0.101 54.770 54.840 0.051 0.000 0.841 151 L CB 1.344 43.433 42.059 0.050 0.000 1.225 151 L HN 0.567 nan 8.230 nan 0.000 0.414 152 I N 4.730 125.362 120.570 0.103 0.000 2.315 152 I HA 0.345 4.515 4.170 -0.000 0.000 0.291 152 I C -0.585 175.637 176.117 0.175 0.000 1.006 152 I CA -0.280 61.108 61.300 0.146 0.000 1.265 152 I CB 0.917 39.046 38.000 0.215 0.000 1.387 152 I HN 0.551 nan 8.210 nan 0.000 0.475 153 C N 6.020 125.419 119.300 0.165 0.000 2.456 153 C HA 0.712 5.171 4.460 -0.000 0.000 0.325 153 C C 0.138 175.259 174.990 0.219 0.000 1.217 153 C CA -0.689 58.434 59.018 0.176 0.000 1.687 153 C CB 1.705 29.506 27.740 0.102 0.000 2.270 153 C HN 0.769 nan 8.230 nan 0.000 0.499 154 R N 1.045 121.710 120.500 0.274 0.000 2.535 154 R HA 0.503 4.843 4.340 -0.000 0.000 0.274 154 R C -1.557 174.864 176.300 0.201 0.000 1.090 154 R CA -0.057 56.179 56.100 0.228 0.000 0.930 154 R CB 1.704 32.153 30.300 0.248 0.000 1.223 154 R HN 0.810 nan 8.270 nan 0.000 0.441 155 T N 3.788 118.413 114.554 0.117 0.000 2.770 155 T HA 0.328 4.678 4.350 -0.000 0.000 0.283 155 T C -1.588 173.134 174.700 0.036 0.000 0.988 155 T CA -0.259 61.880 62.100 0.066 0.000 0.957 155 T CB 0.625 69.497 68.868 0.007 0.000 0.930 155 T HN 0.424 nan 8.240 nan 0.000 0.443 156 Y N 2.599 122.822 120.300 -0.128 0.000 2.333 156 Y HA 0.481 5.031 4.550 -0.000 0.000 0.324 156 Y C 0.746 176.383 175.900 -0.438 0.000 1.033 156 Y CA 0.413 58.396 58.100 -0.194 0.000 1.224 156 Y CB 0.581 38.999 38.460 -0.071 0.000 1.120 156 Y HN 0.984 nan 8.280 nan 0.000 0.457 157 G N 3.598 111.954 108.800 -0.740 0.000 2.583 157 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.292 157 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.292 157 G C 0.228 174.553 174.900 -0.958 0.000 1.203 157 G CA 0.314 44.636 45.100 -1.296 0.000 0.987 157 G HN 0.716 nan 8.290 nan 0.000 0.554 158 L N 0.761 121.282 121.223 -1.170 0.000 2.688 158 L HA 0.331 4.671 4.340 -0.000 0.000 0.234 158 L C 0.332 176.937 176.870 -0.442 0.000 1.192 158 L CA -0.077 54.425 54.840 -0.564 0.000 0.984 158 L CB 0.019 41.846 42.059 -0.387 0.000 1.232 158 L HN 0.226 nan 8.230 nan 0.000 0.465 159 V N -0.137 119.558 119.914 -0.365 0.000 2.459 159 V HA 0.553 4.673 4.120 -0.000 0.000 0.295 159 V C 0.540 176.630 176.094 -0.006 0.000 1.029 159 V CA -0.611 61.596 62.300 -0.155 0.000 0.874 159 V CB 1.601 33.440 31.823 0.026 0.000 0.985 159 V HN 0.256 nan 8.190 nan 0.000 0.438 160 G N 3.072 111.909 108.800 0.062 0.000 2.368 160 G HA2 0.541 4.500 3.960 -0.000 0.000 0.320 160 G HA3 0.541 4.500 3.960 -0.000 0.000 0.320 160 G C -1.546 173.506 174.900 0.252 0.000 1.158 160 G CA -0.324 44.906 45.100 0.216 0.000 0.912 160 G HN 0.591 nan 8.290 nan 0.000 0.456 161 Y N 2.358 122.746 120.300 0.146 0.000 2.429 161 Y HA 0.771 5.321 4.550 -0.000 0.000 0.342 161 Y C -0.399 175.620 175.900 0.199 0.000 1.004 161 Y CA -1.555 56.644 58.100 0.165 0.000 1.075 161 Y CB 2.352 40.905 38.460 0.156 0.000 1.214 161 Y HN 0.466 nan 8.280 nan 0.000 0.455 162 M N 7.239 126.559 119.600 -0.467 0.000 2.265 162 M HA 0.367 4.847 4.480 -0.000 0.000 0.262 162 M C -1.900 174.278 176.300 -0.202 0.000 1.026 162 M CA -0.362 54.805 55.300 -0.221 0.000 0.987 162 M CB 1.301 33.916 32.600 0.025 0.000 1.937 162 M HN 0.815 nan 8.290 nan 0.000 0.481 163 R N 4.302 124.711 120.500 -0.152 0.000 2.513 163 R HA 0.670 5.010 4.340 -0.000 0.000 0.301 163 R C -1.788 174.565 176.300 0.089 0.000 0.968 163 R CA -0.512 55.604 56.100 0.027 0.000 0.872 163 R CB 1.905 32.218 30.300 0.022 0.000 1.177 163 R HN 0.856 nan 8.270 nan 0.000 0.444 164 I N 5.318 125.840 120.570 -0.080 0.000 2.498 164 I HA 0.422 4.591 4.170 -0.000 0.000 0.301 164 I C -0.892 175.153 176.117 -0.120 0.000 0.984 164 I CA -0.828 60.364 61.300 -0.180 0.000 1.204 164 I CB 1.205 38.869 38.000 -0.559 0.000 1.362 164 I HN 0.640 nan 8.210 nan 0.000 0.471 165 I N 8.618 129.163 120.570 -0.041 0.000 2.583 165 I HA 0.376 4.546 4.170 -0.000 0.000 0.276 165 I C -1.029 175.102 176.117 0.023 0.000 1.089 165 I CA -0.168 61.168 61.300 0.058 0.000 1.103 165 I CB 1.014 39.111 38.000 0.162 0.000 1.209 165 I HN 0.366 nan 8.210 nan 0.000 0.484 166 I N 5.117 125.670 120.570 -0.029 0.000 2.499 166 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 166 I C 1.056 177.095 176.117 -0.129 0.000 1.048 166 I CA -0.632 60.605 61.300 -0.104 0.000 1.062 166 I CB 2.581 40.517 38.000 -0.107 0.000 1.238 166 I HN 0.503 nan 8.210 nan 0.000 0.426 167 K N 3.775 123.959 120.400 -0.360 0.000 2.001 167 K HA -0.092 4.228 4.320 -0.000 0.000 0.214 167 K C 0.492 177.034 176.600 -0.097 0.000 1.050 167 K CA 1.712 57.769 56.287 -0.383 0.000 0.934 167 K CB 0.278 32.396 32.500 -0.637 0.000 0.718 167 K HN 0.634 nan 8.250 nan 0.000 0.443 168 E N -0.557 119.598 120.200 -0.074 0.000 2.278 168 E HA 0.089 4.439 4.350 -0.000 0.000 0.272 168 E C -1.924 174.690 176.600 0.024 0.000 0.890 168 E CA -0.551 55.857 56.400 0.013 0.000 0.770 168 E CB 1.260 30.997 29.700 0.062 0.000 1.212 168 E HN 0.241 nan 8.360 nan 0.000 0.415 169 H N 5.035 124.041 119.070 -0.107 0.000 2.953 169 H HA 0.434 4.990 4.556 -0.000 0.000 0.290 169 H C -2.734 172.440 175.328 -0.257 0.000 1.113 169 H CA -1.863 54.093 56.048 -0.154 0.000 1.454 169 H CB 1.238 30.928 29.762 -0.119 0.000 1.525 169 H HN 0.254 nan 8.280 nan 0.000 0.505 170 P HA 0.264 nan 4.420 nan 0.000 0.286 170 P C -1.268 175.533 177.300 -0.832 0.000 1.261 170 P CA -0.761 61.719 63.100 -1.035 0.000 0.821 170 P CB 1.908 32.477 31.700 -1.886 0.000 1.013 171 V N 2.645 122.214 119.914 -0.575 0.000 2.733 171 V HA 0.407 4.527 4.120 -0.000 0.000 0.306 171 V C -0.000 176.039 176.094 -0.091 0.000 1.084 171 V CA -0.389 61.740 62.300 -0.286 0.000 0.905 171 V CB 1.487 33.211 31.823 -0.164 0.000 1.010 171 V HN 0.443 nan 8.190 nan 0.000 0.424 172 I N 2.698 123.248 120.570 -0.033 0.000 2.499 172 I HA 0.258 4.428 4.170 -0.000 0.000 0.243 172 I C 1.500 177.587 176.117 -0.050 0.000 1.085 172 I CA 0.404 61.713 61.300 0.014 0.000 1.422 172 I CB 0.254 38.258 38.000 0.007 0.000 1.165 172 I HN 0.791 nan 8.210 nan 0.000 0.440 173 E N 1.617 121.744 120.200 -0.121 0.000 1.999 173 E HA -0.026 4.324 4.350 -0.000 0.000 0.296 173 E C 1.207 177.596 176.600 -0.352 0.000 1.187 173 E CA -0.160 56.072 56.400 -0.279 0.000 1.229 173 E CB 0.211 29.731 29.700 -0.300 0.000 1.131 173 E HN 0.151 nan 8.360 nan 0.000 0.478 174 S N 2.575 118.148 115.700 -0.212 0.000 2.442 174 S HA -0.177 4.293 4.470 -0.000 0.000 0.236 174 S C 0.412 174.926 174.600 -0.142 0.000 1.007 174 S CA 0.465 58.591 58.200 -0.123 0.000 0.965 174 S CB -0.114 63.085 63.200 -0.002 0.000 0.773 174 S HN 0.756 nan 8.310 nan 0.000 0.504 175 H N 1.074 119.980 119.070 -0.273 0.000 2.680 175 H HA -0.076 4.480 4.556 -0.000 0.000 0.328 175 H C -2.493 172.731 175.328 -0.173 0.000 1.139 175 H CA 0.977 56.864 56.048 -0.268 0.000 1.124 175 H CB -1.978 27.552 29.762 -0.388 0.000 1.584 175 H HN 0.497 nan 8.280 nan 0.000 0.410 176 P HA 0.130 nan 4.420 nan 0.000 0.280 176 P C -0.121 177.115 177.300 -0.107 0.000 1.244 176 P CA -0.230 62.765 63.100 -0.174 0.000 0.784 176 P CB 1.060 32.543 31.700 -0.361 0.000 0.913 177 D N 3.148 123.531 120.400 -0.029 0.000 2.336 177 D HA 0.144 4.784 4.640 -0.000 0.000 0.249 177 D C -0.026 176.262 176.300 -0.021 0.000 1.213 177 D CA 0.620 54.612 54.000 -0.013 0.000 0.870 177 D CB -0.278 40.526 40.800 0.007 0.000 1.076 177 D HN 0.261 nan 8.370 nan 0.000 0.483 178 N N 1.036 119.720 118.700 -0.027 0.000 3.996 178 N HA -0.046 4.694 4.740 -0.000 0.000 0.296 178 N C -1.166 174.347 175.510 0.004 0.000 2.150 178 N CA 0.715 53.763 53.050 -0.004 0.000 2.698 178 N CB -0.825 37.670 38.487 0.013 0.000 0.443 178 N HN 0.522 nan 8.380 nan 0.000 0.615 179 A N 1.599 124.440 122.820 0.035 0.000 2.583 179 A HA 0.853 5.172 4.320 -0.000 0.000 0.289 179 A C -0.678 176.983 177.584 0.127 0.000 1.151 179 A CA -0.810 51.299 52.037 0.121 0.000 0.695 179 A CB 1.236 20.348 19.000 0.186 0.000 1.290 179 A HN 0.397 nan 8.150 nan 0.000 0.419 180 L N 0.902 122.216 121.223 0.153 0.000 2.379 180 L HA 0.405 4.745 4.340 -0.000 0.000 0.269 180 L C 0.075 177.018 176.870 0.122 0.000 1.084 180 L CA -0.816 54.092 54.840 0.113 0.000 0.802 180 L CB 0.933 43.044 42.059 0.087 0.000 1.175 180 L HN 0.611 nan 8.230 nan 0.000 0.448 181 E N 1.001 121.262 120.200 0.102 0.000 2.313 181 E HA 0.028 4.378 4.350 -0.000 0.000 0.276 181 E C -0.834 175.810 176.600 0.074 0.000 1.031 181 E CA -0.166 56.285 56.400 0.084 0.000 0.857 181 E CB 1.162 30.910 29.700 0.079 0.000 1.040 181 E HN 0.352 nan 8.360 nan 0.000 0.408 182 D N 3.423 123.859 120.400 0.059 0.000 2.741 182 D HA 0.093 4.733 4.640 -0.000 0.000 0.233 182 D C 0.687 177.069 176.300 0.136 0.000 1.160 182 D CA 0.036 54.084 54.000 0.080 0.000 1.003 182 D CB -0.425 40.408 40.800 0.055 0.000 1.064 182 D HN 0.321 nan 8.370 nan 0.000 0.503 183 L N 1.443 122.751 121.223 0.140 0.000 2.209 183 L HA 0.077 4.417 4.340 -0.000 0.000 0.207 183 L C 0.971 178.058 176.870 0.363 0.000 1.094 183 L CA 0.010 54.990 54.840 0.233 0.000 0.790 183 L CB -0.486 41.663 42.059 0.150 0.000 0.932 183 L HN 0.357 nan 8.230 nan 0.000 0.447 184 R N 0.336 120.975 120.500 0.231 0.000 2.974 184 R HA -0.201 4.139 4.340 -0.000 0.000 0.258 184 R C 0.068 176.464 176.300 0.160 0.000 0.892 184 R CA 0.273 56.486 56.100 0.189 0.000 0.664 184 R CB -2.281 28.156 30.300 0.228 0.000 1.478 184 R HN 0.389 nan 8.270 nan 0.000 0.498 185 L N 0.711 122.000 121.223 0.110 0.000 2.249 185 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 185 L C 2.227 179.092 176.870 -0.010 0.000 1.090 185 L CA 1.156 56.034 54.840 0.064 0.000 0.802 185 L CB -0.298 41.771 42.059 0.017 0.000 0.947 185 L HN 0.610 nan 8.230 nan 0.000 0.453 186 D N 0.730 121.122 120.400 -0.013 0.000 2.219 186 D HA -0.189 4.451 4.640 -0.000 0.000 0.205 186 D C 0.622 176.903 176.300 -0.032 0.000 0.970 186 D CA 1.027 54.999 54.000 -0.047 0.000 0.851 186 D CB 0.023 40.802 40.800 -0.035 0.000 0.943 186 D HN 0.250 nan 8.370 nan 0.000 0.488 187 K N 1.239 121.647 120.400 0.014 0.000 3.207 187 K HA 0.258 4.577 4.320 -0.000 0.000 0.166 187 K C -2.624 174.020 176.600 0.073 0.000 1.079 187 K CA -1.296 55.008 56.287 0.028 0.000 0.818 187 K CB 2.118 34.643 32.500 0.041 0.000 0.967 187 K HN 0.105 nan 8.250 nan 0.000 0.594 188 P HA -0.069 nan 4.420 nan 0.000 0.269 188 P C -0.461 176.849 177.300 0.017 0.000 1.217 188 P CA 0.075 63.160 63.100 -0.024 0.000 0.783 188 P CB 0.337 32.004 31.700 -0.055 0.000 0.898 189 F N -1.197 118.710 119.950 -0.072 0.000 2.483 189 F HA 0.560 5.087 4.527 -0.000 0.000 0.329 189 F C -1.680 174.065 175.800 -0.091 0.000 1.064 189 F CA -3.115 54.839 58.000 -0.078 0.000 0.986 189 F CB -0.820 38.126 39.000 -0.091 0.000 1.218 189 F HN 0.107 nan 8.300 nan 0.000 0.484 190 P HA -0.259 nan 4.420 nan 0.000 0.214 190 P C 1.084 178.337 177.300 -0.078 0.000 1.164 190 P CA 2.458 65.561 63.100 0.005 0.000 0.942 190 P CB 0.081 31.810 31.700 0.048 0.000 0.791 191 E N -1.015 119.188 120.200 0.005 0.000 2.114 191 E HA -0.215 4.135 4.350 -0.000 0.000 0.199 191 E C 1.907 178.305 176.600 -0.337 0.000 1.008 191 E CA 1.089 57.450 56.400 -0.066 0.000 0.810 191 E CB -1.257 28.498 29.700 0.091 0.000 0.739 191 E HN 0.139 nan 8.360 nan 0.000 0.456 192 L N 0.786 121.517 121.223 -0.820 0.000 1.994 192 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 192 L C 2.355 178.734 176.870 -0.818 0.000 1.071 192 L CA 1.892 56.016 54.840 -1.194 0.000 0.745 192 L CB -0.382 40.518 42.059 -1.931 0.000 0.892 192 L HN -0.001 nan 8.230 nan 0.000 0.431 193 R N -0.350 119.872 120.500 -0.463 0.000 2.083 193 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 193 R C 2.163 178.411 176.300 -0.087 0.000 1.137 193 R CA 2.084 58.101 56.100 -0.139 0.000 0.951 193 R CB -0.339 29.919 30.300 -0.072 0.000 0.851 193 R HN 0.543 nan 8.270 nan 0.000 0.434 194 E N -1.033 119.102 120.200 -0.107 0.000 2.118 194 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 194 E C 1.929 178.514 176.600 -0.025 0.000 0.992 194 E CA 1.627 58.001 56.400 -0.042 0.000 0.804 194 E CB -0.234 29.446 29.700 -0.034 0.000 0.741 194 E HN 0.496 nan 8.360 nan 0.000 0.458 195 H N 0.062 119.003 119.070 -0.214 0.000 2.293 195 H HA -0.121 4.435 4.556 -0.000 0.000 0.300 195 H C 1.721 177.037 175.328 -0.019 0.000 1.082 195 H CA 1.849 57.789 56.048 -0.179 0.000 1.308 195 H CB -0.402 29.122 29.762 -0.397 0.000 1.375 195 H HN 0.125 nan 8.280 nan 0.000 0.495 196 F N 0.643 120.541 119.950 -0.087 0.000 2.126 196 F HA -0.268 4.259 4.527 -0.000 0.000 0.299 196 F C 2.743 178.506 175.800 -0.062 0.000 1.096 196 F CA 1.154 59.061 58.000 -0.155 0.000 1.255 196 F CB -0.214 38.710 39.000 -0.127 0.000 0.997 196 F HN 0.307 nan 8.300 nan 0.000 0.479 197 Q N -0.355 119.539 119.800 0.156 0.000 2.135 197 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 197 Q C 2.309 178.368 176.000 0.098 0.000 0.981 197 Q CA 1.574 57.439 55.803 0.103 0.000 0.856 197 Q CB -0.452 28.323 28.738 0.063 0.000 0.902 197 Q HN 0.289 nan 8.270 nan 0.000 0.425 198 S N -0.533 115.214 115.700 0.080 0.000 2.440 198 S HA -0.150 4.320 4.470 -0.000 0.000 0.240 198 S C 0.355 174.993 174.600 0.064 0.000 1.014 198 S CA 0.783 59.008 58.200 0.043 0.000 0.980 198 S CB -0.052 63.130 63.200 -0.029 0.000 0.775 198 S HN 0.233 nan 8.310 nan 0.000 0.499 209 H N 0.612 119.672 119.070 -0.017 0.000 2.423 209 H HA -0.020 4.536 4.556 -0.000 0.000 0.297 209 H C 2.187 177.628 175.328 0.188 0.000 1.075 209 H CA 2.504 58.612 56.048 0.101 0.000 1.342 209 H CB 0.414 30.195 29.762 0.031 0.000 1.395 209 H HN 0.170 nan 8.280 nan 0.000 0.530 210 S N -1.548 114.277 115.700 0.208 0.000 2.528 210 S HA -0.065 4.404 4.470 -0.000 0.000 0.219 210 S C 1.338 176.138 174.600 0.333 0.000 0.985 210 S CA 0.221 58.569 58.200 0.248 0.000 0.914 210 S CB -0.329 62.998 63.200 0.212 0.000 0.776 210 S HN 0.613 nan 8.310 nan 0.000 0.526 211 H N 1.172 120.335 119.070 0.156 0.000 2.553 211 H HA 0.159 4.715 4.556 -0.000 0.000 0.269 211 H C -0.264 175.167 175.328 0.172 0.000 1.011 211 H CA 0.137 56.273 56.048 0.146 0.000 1.150 211 H CB 0.167 30.005 29.762 0.126 0.000 1.339 211 H HN 0.338 nan 8.280 nan 0.000 0.604 212 T N 2.710 117.437 114.554 0.288 0.000 2.749 212 T HA 0.170 4.520 4.350 -0.000 0.000 0.287 212 T C -2.398 172.410 174.700 0.180 0.000 0.970 212 T CA -1.648 60.603 62.100 0.253 0.000 0.980 212 T CB 1.680 70.674 68.868 0.210 0.000 0.924 212 T HN 0.028 nan 8.240 nan 0.000 0.456 213 P HA -0.060 nan 4.420 nan 0.000 0.263 213 P C 0.416 177.738 177.300 0.037 0.000 1.175 213 P CA -0.141 62.998 63.100 0.064 0.000 0.761 213 P CB 0.354 32.053 31.700 -0.002 0.000 0.794 214 W N 5.754 127.062 121.300 0.013 0.000 2.374 214 W HA -0.144 4.516 4.660 -0.000 0.000 0.288 214 W C 1.273 177.738 176.519 -0.090 0.000 1.218 214 W CA 0.940 58.245 57.345 -0.067 0.000 1.245 214 W CB -1.721 27.715 29.460 -0.039 0.000 1.126 214 W HN 0.212 nan 8.180 nan 0.000 0.545 215 I N 0.809 121.249 120.570 -0.216 0.000 2.142 215 I HA -0.317 3.853 4.170 -0.000 0.000 0.240 215 I C 2.465 178.518 176.117 -0.108 0.000 1.078 215 I CA 1.856 63.110 61.300 -0.076 0.000 1.343 215 I CB -1.194 36.730 38.000 -0.128 0.000 1.046 215 I HN -0.122 nan 8.210 nan 0.000 0.405 216 V N 1.362 121.204 119.914 -0.119 0.000 2.380 216 V HA -0.292 3.828 4.120 -0.000 0.000 0.251 216 V C 2.404 178.321 176.094 -0.295 0.000 1.063 216 V CA 1.551 63.676 62.300 -0.293 0.000 1.055 216 V CB -0.589 30.939 31.823 -0.491 0.000 0.657 216 V HN 0.307 nan 8.190 nan 0.000 0.455 217 I N -0.304 120.155 120.570 -0.186 0.000 2.113 217 I HA -0.234 3.936 4.170 -0.000 0.000 0.238 217 I C 2.409 178.467 176.117 -0.099 0.000 1.070 217 I CA 2.000 63.180 61.300 -0.199 0.000 1.332 217 I CB -0.980 36.785 38.000 -0.391 0.000 1.044 217 I HN 0.250 nan 8.210 nan 0.000 0.402 218 I N 1.031 121.564 120.570 -0.061 0.000 2.248 218 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 218 I C 2.733 178.875 176.117 0.042 0.000 1.107 218 I CA 1.360 62.698 61.300 0.063 0.000 1.373 218 I CB -0.371 37.711 38.000 0.136 0.000 1.055 218 I HN 0.184 nan 8.210 nan 0.000 0.418 219 A N 0.393 123.064 122.820 -0.247 0.000 1.902 219 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 219 A C 2.251 179.686 177.584 -0.249 0.000 1.181 219 A CA 1.715 53.457 52.037 -0.492 0.000 0.623 219 A CB -0.383 17.729 19.000 -1.480 0.000 0.818 219 A HN 0.184 nan 8.150 nan 0.000 0.443 220 K N -0.824 119.477 120.400 -0.165 0.000 1.973 220 K HA -0.121 4.199 4.320 -0.000 0.000 0.212 220 K C 1.649 178.249 176.600 -0.000 0.000 1.047 220 K CA 1.851 58.093 56.287 -0.075 0.000 0.937 220 K CB -0.715 31.756 32.500 -0.049 0.000 0.721 220 K HN 0.529 nan 8.250 nan 0.000 0.440 221 Y N -0.027 120.280 120.300 0.012 0.000 2.403 221 Y HA -0.104 4.446 4.550 -0.000 0.000 0.291 221 Y C 1.827 177.968 175.900 0.401 0.000 1.143 221 Y CA 0.622 58.785 58.100 0.104 0.000 1.257 221 Y CB -0.223 38.146 38.460 -0.152 0.000 0.984 221 Y HN 0.052 nan 8.280 nan 0.000 0.550 222 L N -0.357 121.151 121.223 0.475 0.000 2.131 222 L HA -0.001 4.339 4.340 -0.000 0.000 0.206 222 L C 2.350 179.365 176.870 0.241 0.000 1.087 222 L CA 1.684 56.707 54.840 0.306 0.000 0.767 222 L CB -1.035 41.035 42.059 0.019 0.000 0.917 222 L HN 0.101 nan 8.230 nan 0.000 0.441 223 A N -0.958 121.949 122.820 0.145 0.000 1.858 223 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 223 A C 2.284 180.001 177.584 0.222 0.000 1.190 223 A CA 1.823 53.945 52.037 0.143 0.000 0.617 223 A CB -0.781 18.251 19.000 0.053 0.000 0.827 223 A HN 0.606 nan 8.150 nan 0.000 0.443 224 Q N -1.287 118.613 119.800 0.167 0.000 2.014 224 Q HA -0.248 4.092 4.340 -0.000 0.000 0.207 224 Q C 2.054 178.199 176.000 0.242 0.000 0.993 224 Q CA 2.161 58.047 55.803 0.139 0.000 0.850 224 Q CB -0.414 28.349 28.738 0.041 0.000 0.916 224 Q HN 0.839 nan 8.270 nan 0.000 0.417 225 W N 0.502 121.909 121.300 0.177 0.000 2.331 225 W HA -0.273 4.387 4.660 -0.000 0.000 0.291 225 W C 1.613 178.225 176.519 0.155 0.000 1.214 225 W CA 1.558 59.019 57.345 0.194 0.000 1.228 225 W CB -0.622 29.025 29.460 0.313 0.000 1.135 225 W HN 0.387 nan 8.180 nan 0.000 0.537 226 Y N 1.540 122.045 120.300 0.342 0.000 2.352 226 Y HA -0.161 4.389 4.550 -0.000 0.000 0.292 226 Y C 2.740 178.686 175.900 0.077 0.000 1.136 226 Y CA 2.212 60.439 58.100 0.211 0.000 1.227 226 Y CB -0.586 37.961 38.460 0.145 0.000 0.991 226 Y HN -0.200 nan 8.280 nan 0.000 0.545 227 S N 0.083 115.811 115.700 0.045 0.000 2.335 227 S HA -0.154 4.316 4.470 -0.000 0.000 0.217 227 S C 1.426 175.947 174.600 -0.133 0.000 1.032 227 S CA 1.389 59.551 58.200 -0.064 0.000 0.985 227 S CB -0.301 62.902 63.200 0.005 0.000 0.896 227 S HN 0.543 nan 8.310 nan 0.000 0.445 228 E N 0.733 120.859 120.200 -0.123 0.000 2.520 228 E HA 0.009 4.359 4.350 -0.000 0.000 0.201 228 E C 0.685 177.122 176.600 -0.271 0.000 1.122 228 E CA 0.779 57.070 56.400 -0.183 0.000 0.896 228 E CB -0.101 29.483 29.700 -0.193 0.000 0.891 228 E HN 0.406 nan 8.360 nan 0.000 0.533 229 T N -1.192 113.197 114.554 -0.275 0.000 3.689 229 T HA 0.018 4.368 4.350 -0.000 0.000 0.293 229 T C 0.295 174.848 174.700 -0.245 0.000 0.955 229 T CA -0.113 61.823 62.100 -0.273 0.000 1.130 229 T CB 0.493 69.141 68.868 -0.366 0.000 1.138 229 T HN 0.006 nan 8.240 nan 0.000 0.477 230 N N 0.594 119.054 118.700 -0.399 0.000 2.997 230 N HA -0.095 4.645 4.740 -0.000 0.000 0.214 230 N C 0.366 175.769 175.510 -0.178 0.000 0.904 230 N CA 0.885 53.514 53.050 -0.702 0.000 1.021 230 N CB -1.394 36.873 38.487 -0.366 0.000 1.040 230 N HN 0.612 nan 8.380 nan 0.000 0.573 231 G N 0.282 109.142 108.800 0.100 0.000 2.420 231 G HA2 0.407 4.367 3.960 -0.000 0.000 0.284 231 G HA3 0.407 4.367 3.960 -0.000 0.000 0.284 231 G C 0.793 175.985 174.900 0.488 0.000 1.177 231 G CA -0.186 45.107 45.100 0.321 0.000 0.841 231 G HN 0.246 nan 8.290 nan 0.000 0.527 232 R N 0.824 121.485 120.500 0.269 0.000 2.246 232 R HA 0.195 4.535 4.340 -0.000 0.000 0.199 232 R C 0.512 176.727 176.300 -0.141 0.000 0.984 232 R CA 0.187 56.333 56.100 0.078 0.000 1.015 232 R CB -0.289 30.027 30.300 0.026 0.000 0.930 232 R HN 0.642 nan 8.270 nan 0.000 0.475 233 I N -0.933 119.582 120.570 -0.092 0.000 5.775 233 I HA -0.168 4.002 4.170 -0.000 0.000 0.126 233 I C -2.181 173.790 176.117 -0.243 0.000 1.817 233 I CA -0.577 60.529 61.300 -0.324 0.000 2.037 233 I CB -1.009 36.446 38.000 -0.909 0.000 3.389 233 I HN 0.152 nan 8.210 nan 0.000 0.169 234 P HA -0.109 nan 4.420 nan 0.000 0.200 234 P C 0.479 177.673 177.300 -0.176 0.000 1.186 234 P CA 0.589 63.618 63.100 -0.118 0.000 0.896 234 P CB 0.098 31.766 31.700 -0.054 0.000 0.729 235 K N 0.499 120.790 120.400 -0.182 0.000 4.704 235 K HA -0.254 4.066 4.320 -0.000 0.000 0.263 235 K C 1.033 177.282 176.600 -0.586 0.000 0.677 235 K CA 0.586 56.633 56.287 -0.399 0.000 0.608 235 K CB -0.854 31.479 32.500 -0.279 0.000 2.194 235 K HN 0.143 nan 8.250 nan 0.000 0.377 236 T N 2.581 116.857 114.554 -0.464 0.000 2.217 236 T HA -0.339 4.011 4.350 -0.000 0.000 0.206 236 T C 1.518 176.011 174.700 -0.345 0.000 1.634 236 T CA 2.664 64.582 62.100 -0.303 0.000 1.183 236 T CB -0.487 68.317 68.868 -0.106 0.000 0.861 236 T HN 0.654 nan 8.240 nan 0.000 0.392 237 Y N 1.266 121.573 120.300 0.013 0.000 2.170 237 Y HA -0.240 4.310 4.550 -0.000 0.000 0.274 237 Y C 2.531 178.450 175.900 0.032 0.000 1.253 237 Y CA 2.241 60.353 58.100 0.020 0.000 1.133 237 Y CB -0.932 37.541 38.460 0.022 0.000 0.941 237 Y HN 0.409 nan 8.280 nan 0.000 0.518 238 K N -0.288 119.999 120.400 -0.188 0.000 2.386 238 K HA 0.018 4.338 4.320 -0.000 0.000 0.237 238 K C 2.009 178.605 176.600 -0.006 0.000 1.122 238 K CA 0.472 56.781 56.287 0.036 0.000 0.838 238 K CB -0.034 32.582 32.500 0.194 0.000 1.364 238 K HN 0.211 nan 8.250 nan 0.000 0.440 239 E N 1.167 121.343 120.200 -0.040 0.000 2.172 239 E HA -0.309 4.041 4.350 -0.000 0.000 0.213 239 E C 1.889 178.436 176.600 -0.089 0.000 1.051 239 E CA 2.088 58.516 56.400 0.046 0.000 0.860 239 E CB -0.034 29.670 29.700 0.007 0.000 0.755 239 E HN 0.255 nan 8.360 nan 0.000 0.462 240 K N 0.196 120.505 120.400 -0.151 0.000 2.026 240 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 240 K C 2.228 178.834 176.600 0.009 0.000 1.048 240 K CA 1.327 57.543 56.287 -0.119 0.000 0.929 240 K CB -0.138 32.286 32.500 -0.127 0.000 0.713 240 K HN -0.024 nan 8.250 nan 0.000 0.439 241 E N 1.627 121.836 120.200 0.014 0.000 2.085 241 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 241 E C 1.280 177.929 176.600 0.082 0.000 0.994 241 E CA 1.758 58.186 56.400 0.047 0.000 0.801 241 E CB -0.128 29.608 29.700 0.061 0.000 0.743 241 E HN 0.186 nan 8.360 nan 0.000 0.453 242 D N -0.830 119.650 120.400 0.133 0.000 2.183 242 D HA -0.110 4.530 4.640 -0.000 0.000 0.203 242 D C 1.488 177.947 176.300 0.265 0.000 0.969 242 D CA 0.599 54.727 54.000 0.214 0.000 0.842 242 D CB -0.421 40.570 40.800 0.318 0.000 0.957 242 D HN 0.237 nan 8.370 nan 0.000 0.484 243 F N 1.945 121.896 119.950 0.002 0.000 2.216 243 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 243 F C 2.022 177.808 175.800 -0.024 0.000 1.085 243 F CA 1.224 59.167 58.000 -0.094 0.000 1.326 243 F CB 0.060 38.789 39.000 -0.452 0.000 1.027 243 F HN -0.187 nan 8.300 nan 0.000 0.497 244 R N 0.236 120.697 120.500 -0.066 0.000 2.070 244 R HA -0.168 4.172 4.340 -0.000 0.000 0.233 244 R C 1.744 177.956 176.300 -0.145 0.000 1.137 244 R CA 1.893 57.898 56.100 -0.158 0.000 0.945 244 R CB -0.889 29.377 30.300 -0.056 0.000 0.845 244 R HN 0.245 nan 8.270 nan 0.000 0.430 245 D N 0.782 121.162 120.400 -0.034 0.000 2.265 245 D HA -0.159 4.481 4.640 -0.000 0.000 0.208 245 D C 1.643 177.947 176.300 0.008 0.000 0.977 245 D CA 0.657 54.659 54.000 0.003 0.000 0.871 245 D CB -0.075 40.757 40.800 0.053 0.000 0.925 245 D HN 0.050 nan 8.370 nan 0.000 0.485 246 L N 0.182 121.400 121.223 -0.008 0.000 2.109 246 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 246 L C 1.743 178.610 176.870 -0.005 0.000 1.086 246 L CA 1.364 56.245 54.840 0.068 0.000 0.760 246 L CB -0.221 41.923 42.059 0.142 0.000 0.910 246 L HN 0.051 nan 8.230 nan 0.000 0.437 247 I N -1.022 119.323 120.570 -0.376 0.000 2.286 247 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 247 I C 2.593 178.575 176.117 -0.224 0.000 1.104 247 I CA 0.832 61.678 61.300 -0.757 0.000 1.397 247 I CB -0.349 37.178 38.000 -0.788 0.000 1.072 247 I HN 0.189 nan 8.210 nan 0.000 0.417 248 R N 0.935 121.382 120.500 -0.089 0.000 2.091 248 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 248 R C 1.388 177.719 176.300 0.051 0.000 1.136 248 R CA 1.172 57.279 56.100 0.012 0.000 0.959 248 R CB -0.187 30.111 30.300 -0.003 0.000 0.856 248 R HN 0.432 nan 8.270 nan 0.000 0.437 249 Q N -0.684 119.162 119.800 0.077 0.000 2.516 249 Q HA 0.067 4.407 4.340 -0.000 0.000 0.245 249 Q C 0.364 176.480 176.000 0.192 0.000 0.958 249 Q CA 0.301 56.169 55.803 0.109 0.000 0.959 249 Q CB 0.670 29.474 28.738 0.111 0.000 1.403 249 Q HN 0.452 nan 8.270 nan 0.000 0.405 250 G N -0.178 108.741 108.800 0.198 0.000 3.941 250 G HA2 0.156 4.116 3.960 -0.000 0.000 0.222 250 G HA3 0.156 4.116 3.960 -0.000 0.000 0.222 250 G C 0.173 175.088 174.900 0.025 0.000 1.118 250 G CA -0.394 44.898 45.100 0.319 0.000 0.880 250 G HN 0.227 nan 8.290 nan 0.000 0.546 251 I N 2.478 122.939 120.570 -0.182 0.000 2.533 251 I HA 0.154 4.324 4.170 -0.000 0.000 0.284 251 I C 0.797 176.743 176.117 -0.285 0.000 1.109 251 I CA -0.456 60.576 61.300 -0.447 0.000 1.412 251 I CB 1.093 38.925 38.000 -0.280 0.000 1.396 251 I HN -0.057 nan 8.210 nan 0.000 0.543 252 L N 7.204 128.202 121.223 -0.375 0.000 2.685 252 L HA -0.177 4.163 4.340 -0.000 0.000 0.305 252 L C 1.045 177.813 176.870 -0.169 0.000 1.258 252 L CA 0.471 55.124 54.840 -0.313 0.000 0.876 252 L CB -0.201 41.612 42.059 -0.410 0.000 1.124 252 L HN 0.674 nan 8.230 nan 0.000 0.507 260 E N 0.624 120.770 120.200 -0.089 0.000 2.047 260 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 260 E C 0.974 177.541 176.600 -0.055 0.000 0.987 260 E CA 2.304 58.656 56.400 -0.080 0.000 0.799 260 E CB 0.273 29.903 29.700 -0.116 0.000 0.752 260 E HN 0.322 nan 8.360 nan 0.000 0.449 261 D N -1.899 118.466 120.400 -0.058 0.000 1.739 261 D HA -0.095 4.545 4.640 -0.000 0.000 0.149 261 D C -1.191 175.100 176.300 -0.015 0.000 1.439 261 D CA 0.671 54.657 54.000 -0.025 0.000 0.517 261 D CB -0.659 40.140 40.800 -0.003 0.000 3.279 261 D HN 0.005 nan 8.370 nan 0.000 0.191 262 E N 0.947 121.152 120.200 0.008 0.000 4.156 262 E HA -0.170 4.180 4.350 -0.000 0.000 0.158 262 E C 0.025 176.697 176.600 0.121 0.000 1.861 262 E CA 1.082 57.522 56.400 0.066 0.000 0.926 262 E CB -0.896 28.755 29.700 -0.082 0.000 1.062 262 E HN 0.524 nan 8.360 nan 0.000 0.347 263 E N 2.411 122.692 120.200 0.136 0.000 2.102 263 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 263 E C 1.524 178.212 176.600 0.146 0.000 0.971 263 E CA 0.953 57.422 56.400 0.116 0.000 0.821 263 E CB 0.081 29.840 29.700 0.100 0.000 0.777 263 E HN 0.654 nan 8.360 nan 0.000 0.460 264 N N -0.567 118.256 118.700 0.204 0.000 2.188 264 N HA -0.166 4.574 4.740 -0.000 0.000 0.184 264 N C 1.763 177.382 175.510 0.183 0.000 1.018 264 N CA 0.704 53.882 53.050 0.214 0.000 0.858 264 N CB -0.376 38.260 38.487 0.249 0.000 0.989 264 N HN 0.019 nan 8.380 nan 0.000 0.426 265 F N 1.557 121.522 119.950 0.024 0.000 2.069 265 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 265 F C 2.708 178.461 175.800 -0.078 0.000 1.113 265 F CA 1.464 59.440 58.000 -0.040 0.000 1.214 265 F CB -0.499 38.481 39.000 -0.034 0.000 0.978 265 F HN 0.071 nan 8.300 nan 0.000 0.474 266 E N 0.426 120.715 120.200 0.149 0.000 2.204 266 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 266 E C 2.010 178.581 176.600 -0.048 0.000 0.990 266 E CA 1.395 57.815 56.400 0.033 0.000 0.821 266 E CB -0.310 29.412 29.700 0.036 0.000 0.750 266 E HN 0.526 nan 8.360 nan 0.000 0.477 267 E N -0.683 119.490 120.200 -0.044 0.000 2.047 267 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 267 E C 1.955 178.358 176.600 -0.327 0.000 0.987 267 E CA 0.927 57.235 56.400 -0.153 0.000 0.799 267 E CB -0.223 29.448 29.700 -0.049 0.000 0.752 267 E HN 0.325 nan 8.360 nan 0.000 0.449 268 A N 1.274 123.950 122.820 -0.241 0.000 1.908 268 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 268 A C 2.155 179.571 177.584 -0.280 0.000 1.181 268 A CA 1.485 53.342 52.037 -0.300 0.000 0.627 268 A CB -0.775 18.099 19.000 -0.210 0.000 0.818 268 A HN 0.347 nan 8.150 nan 0.000 0.445 269 I N -0.637 119.801 120.570 -0.220 0.000 2.335 269 I HA -0.299 3.871 4.170 -0.000 0.000 0.251 269 I C 2.363 178.386 176.117 -0.158 0.000 1.129 269 I CA 1.717 62.914 61.300 -0.172 0.000 1.402 269 I CB -0.274 37.649 38.000 -0.127 0.000 1.069 269 I HN 0.341 nan 8.210 nan 0.000 0.424 270 K N 0.358 120.638 120.400 -0.201 0.000 2.167 270 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 270 K C 1.619 178.072 176.600 -0.244 0.000 1.052 270 K CA 0.799 56.969 56.287 -0.195 0.000 0.956 270 K CB -0.124 32.258 32.500 -0.196 0.000 0.735 270 K HN 0.324 nan 8.250 nan 0.000 0.451 271 N N 0.927 119.394 118.700 -0.389 0.000 2.494 271 N HA -0.066 4.674 4.740 -0.000 0.000 0.182 271 N C 1.602 177.007 175.510 -0.176 0.000 1.076 271 N CA 0.521 53.330 53.050 -0.402 0.000 0.908 271 N CB 0.157 38.128 38.487 -0.861 0.000 0.967 271 N HN -0.057 nan 8.380 nan 0.000 0.449 272 V N 1.669 121.508 119.914 -0.125 0.000 2.568 272 V HA -0.227 3.893 4.120 -0.000 0.000 0.253 272 V C 2.059 178.121 176.094 -0.053 0.000 1.072 272 V CA 1.402 63.685 62.300 -0.030 0.000 1.084 272 V CB -0.686 31.163 31.823 0.044 0.000 0.676 272 V HN 0.339 nan 8.190 nan 0.000 0.469 273 N N -0.626 118.034 118.700 -0.067 0.000 2.453 273 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 273 N C 1.453 176.937 175.510 -0.044 0.000 1.041 273 N CA 1.692 54.709 53.050 -0.055 0.000 0.900 273 N CB 0.113 38.569 38.487 -0.052 0.000 0.961 273 N HN 0.537 nan 8.380 nan 0.000 0.443 274 T N -1.433 113.098 114.554 -0.039 0.000 3.311 274 T HA 0.293 4.643 4.350 -0.000 0.000 0.239 274 T C 1.727 176.435 174.700 0.014 0.000 0.976 274 T CA 0.460 62.557 62.100 -0.005 0.000 1.283 274 T CB -0.814 68.063 68.868 0.016 0.000 1.113 274 T HN 0.171 nan 8.240 nan 0.000 0.392 275 A N 1.794 124.642 122.820 0.047 0.000 2.067 275 A HA -0.145 4.175 4.320 -0.000 0.000 0.224 275 A C 2.134 179.722 177.584 0.008 0.000 1.172 275 A CA 1.418 53.503 52.037 0.080 0.000 0.662 275 A CB -1.254 17.838 19.000 0.153 0.000 0.814 275 A HN 0.463 nan 8.150 nan 0.000 0.468 276 L N -1.105 120.083 121.223 -0.059 0.000 1.910 276 L HA -0.147 4.193 4.340 -0.000 0.000 0.221 276 L C 1.394 178.218 176.870 -0.077 0.000 1.084 276 L CA 1.538 56.303 54.840 -0.126 0.000 0.779 276 L CB -0.637 41.304 42.059 -0.197 0.000 0.888 276 L HN 0.589 nan 8.230 nan 0.000 0.432 277 N N -0.305 118.360 118.700 -0.059 0.000 2.500 277 N HA 0.075 4.815 4.740 -0.000 0.000 0.236 277 N C -0.252 175.258 175.510 0.000 0.000 1.022 277 N CA -0.026 53.006 53.050 -0.030 0.000 0.935 277 N CB 0.567 39.034 38.487 -0.032 0.000 1.147 277 N HN 0.239 nan 8.380 nan 0.000 0.512 278 T N -1.011 113.555 114.554 0.020 0.000 3.393 278 T HA 0.190 4.540 4.350 -0.000 0.000 0.298 278 T C -0.293 174.434 174.700 0.045 0.000 1.004 278 T CA -0.320 61.804 62.100 0.041 0.000 0.956 278 T CB 0.309 69.216 68.868 0.065 0.000 1.182 278 T HN 0.187 nan 8.240 nan 0.000 0.497 279 T N 2.272 116.846 114.554 0.034 0.000 3.050 279 T HA 0.643 4.993 4.350 -0.000 0.000 0.310 279 T C -1.442 173.273 174.700 0.025 0.000 0.978 279 T CA -0.504 61.618 62.100 0.037 0.000 1.013 279 T CB 1.880 70.780 68.868 0.054 0.000 1.000 279 T HN 0.458 nan 8.240 nan 0.000 0.447 280 Q N 3.209 123.020 119.800 0.018 0.000 2.774 280 Q HA 0.255 4.595 4.340 -0.000 0.000 0.232 280 Q C -1.484 174.519 176.000 0.006 0.000 0.985 280 Q CA -0.591 55.221 55.803 0.017 0.000 1.058 280 Q CB 1.320 30.067 28.738 0.014 0.000 1.789 280 Q HN 0.655 nan 8.270 nan 0.000 0.487 281 I N 4.932 125.512 120.570 0.018 0.000 2.668 281 I HA 0.094 4.264 4.170 -0.000 0.000 0.285 281 I C -1.887 174.215 176.117 -0.025 0.000 1.168 281 I CA -1.286 60.016 61.300 0.003 0.000 1.424 281 I CB 0.297 38.331 38.000 0.057 0.000 1.377 281 I HN 0.443 nan 8.210 nan 0.000 0.560 282 P HA -0.023 nan 4.420 nan 0.000 0.265 282 P C 0.713 177.979 177.300 -0.056 0.000 1.193 282 P CA 0.158 63.221 63.100 -0.061 0.000 0.765 282 P CB 0.823 32.464 31.700 -0.097 0.000 0.823 283 S N 2.820 118.506 115.700 -0.023 0.000 2.365 283 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 283 S C 1.979 176.563 174.600 -0.026 0.000 1.039 283 S CA 2.213 60.407 58.200 -0.011 0.000 1.033 283 S CB -0.919 62.286 63.200 0.008 0.000 0.887 283 S HN 0.611 nan 8.310 nan 0.000 0.447 284 S N 0.983 116.666 115.700 -0.029 0.000 2.400 284 S HA -0.039 4.431 4.470 -0.000 0.000 0.232 284 S C 1.826 176.374 174.600 -0.088 0.000 1.025 284 S CA 1.415 59.597 58.200 -0.030 0.000 0.993 284 S CB -0.796 62.397 63.200 -0.011 0.000 0.808 284 S HN 0.644 nan 8.310 nan 0.000 0.478 285 I N 1.440 121.905 120.570 -0.174 0.000 2.500 285 I HA -0.047 4.123 4.170 -0.000 0.000 0.252 285 I C 2.754 178.580 176.117 -0.486 0.000 1.142 285 I CA 0.859 61.929 61.300 -0.383 0.000 1.451 285 I CB -0.284 37.430 38.000 -0.476 0.000 1.093 285 I HN 0.240 nan 8.210 nan 0.000 0.430 286 E N 1.125 121.194 120.200 -0.218 0.000 2.085 286 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 286 E C 1.624 178.247 176.600 0.039 0.000 0.994 286 E CA 1.395 57.777 56.400 -0.030 0.000 0.801 286 E CB -0.327 29.393 29.700 0.033 0.000 0.743 286 E HN 0.522 nan 8.360 nan 0.000 0.453 287 D N 0.485 120.894 120.400 0.016 0.000 2.178 287 D HA -0.097 4.543 4.640 -0.000 0.000 0.202 287 D C 2.177 178.557 176.300 0.133 0.000 0.974 287 D CA 0.573 54.618 54.000 0.074 0.000 0.841 287 D CB -0.215 40.622 40.800 0.062 0.000 0.953 287 D HN 0.241 nan 8.370 nan 0.000 0.478 288 I N 0.264 120.885 120.570 0.085 0.000 2.202 288 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 288 I C 2.369 178.711 176.117 0.375 0.000 1.091 288 I CA 0.856 62.298 61.300 0.238 0.000 1.368 288 I CB -0.323 37.704 38.000 0.046 0.000 1.058 288 I HN -0.081 nan 8.210 nan 0.000 0.410 289 F N 1.078 121.118 119.950 0.151 0.000 2.126 289 F HA -0.254 4.273 4.527 -0.000 0.000 0.299 289 F C 2.174 178.034 175.800 0.099 0.000 1.096 289 F CA 0.730 58.794 58.000 0.107 0.000 1.255 289 F CB -0.349 38.682 39.000 0.051 0.000 0.997 289 F HN 0.203 nan 8.300 nan 0.000 0.479 290 N N -0.053 118.820 118.700 0.289 0.000 2.521 290 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 290 N C 0.158 175.740 175.510 0.120 0.000 1.146 290 N CA 0.438 53.587 53.050 0.166 0.000 0.893 290 N CB -0.490 38.073 38.487 0.127 0.000 0.975 290 N HN 0.271 nan 8.380 nan 0.000 0.451 291 D N 1.231 121.723 120.400 0.153 0.000 2.382 291 D HA -0.078 4.562 4.640 -0.000 0.000 0.245 291 D C 0.810 177.076 176.300 -0.056 0.000 1.120 291 D CA -0.077 53.953 54.000 0.049 0.000 0.890 291 D CB 1.292 42.136 40.800 0.072 0.000 1.201 291 D HN 0.062 nan 8.370 nan 0.000 0.433 292 D N 3.462 123.799 120.400 -0.105 0.000 2.158 292 D HA -0.232 4.408 4.640 -0.000 0.000 0.197 292 D C 1.693 177.859 176.300 -0.223 0.000 0.995 292 D CA 0.991 54.917 54.000 -0.124 0.000 0.846 292 D CB 0.170 40.906 40.800 -0.107 0.000 0.941 292 D HN 0.366 nan 8.370 nan 0.000 0.456 293 R N -0.307 119.920 120.500 -0.455 0.000 2.152 293 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 293 R C 2.579 178.589 176.300 -0.484 0.000 1.117 293 R CA 1.323 56.977 56.100 -0.744 0.000 0.981 293 R CB -0.660 28.633 30.300 -1.677 0.000 0.870 293 R HN 0.328 nan 8.270 nan 0.000 0.451 294 C N -0.966 118.203 119.300 -0.219 0.000 2.519 294 C HA 0.220 4.680 4.460 -0.000 0.000 0.281 294 C C 2.278 177.314 174.990 0.077 0.000 1.331 294 C CA -0.083 59.048 59.018 0.189 0.000 1.725 294 C CB -0.676 27.314 27.740 0.417 0.000 2.079 294 C HN 0.536 nan 8.230 nan 0.000 0.496 295 I N 1.508 122.087 120.570 0.016 0.000 2.202 295 I HA -0.060 4.110 4.170 -0.000 0.000 0.242 295 I C 0.322 176.429 176.117 -0.017 0.000 1.091 295 I CA 1.126 62.426 61.300 0.001 0.000 1.368 295 I CB -0.346 37.651 38.000 -0.004 0.000 1.058 295 I HN 0.405 nan 8.210 nan 0.000 0.410 296 N N 2.237 120.912 118.700 -0.040 0.000 2.609 296 N HA 0.393 5.133 4.740 -0.000 0.000 0.234 296 N C -0.636 174.851 175.510 -0.038 0.000 1.001 296 N CA -0.081 52.947 53.050 -0.037 0.000 0.926 296 N CB 1.403 39.863 38.487 -0.045 0.000 1.130 296 N HN 0.123 nan 8.380 nan 0.000 0.510 297 I N 0.920 121.483 120.570 -0.012 0.000 2.612 297 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 297 I C 1.102 177.220 176.117 0.001 0.000 1.011 297 I CA -0.304 60.999 61.300 0.004 0.000 1.326 297 I CB 1.403 39.418 38.000 0.025 0.000 1.427 297 I HN 0.382 nan 8.210 nan 0.000 0.537 298 T N 0.248 114.807 114.554 0.008 0.000 2.762 298 T HA 0.315 4.665 4.350 -0.000 0.000 0.301 298 T C 0.320 175.030 174.700 0.017 0.000 1.299 298 T CA -0.967 61.138 62.100 0.007 0.000 1.005 298 T CB 1.596 70.463 68.868 -0.002 0.000 1.377 298 T HN 0.562 nan 8.240 nan 0.000 0.504 299 K N 0.101 120.509 120.400 0.014 0.000 2.281 299 K HA -0.113 4.207 4.320 -0.000 0.000 0.203 299 K C 2.188 178.801 176.600 0.022 0.000 1.046 299 K CA 1.324 57.621 56.287 0.017 0.000 0.938 299 K CB -0.052 32.455 32.500 0.012 0.000 0.737 299 K HN 0.451 nan 8.250 nan 0.000 0.458 300 Q N 0.161 119.972 119.800 0.018 0.000 2.083 300 Q HA -0.032 4.308 4.340 -0.000 0.000 0.198 300 Q C 0.638 176.662 176.000 0.039 0.000 0.969 300 Q CA 0.799 56.614 55.803 0.021 0.000 0.838 300 Q CB -0.739 28.003 28.738 0.007 0.000 0.900 300 Q HN 0.153 nan 8.270 nan 0.000 0.436 301 T N 5.171 119.751 114.554 0.043 0.000 2.765 301 T HA 0.012 4.362 4.350 -0.000 0.000 0.275 301 T C -2.140 172.640 174.700 0.134 0.000 1.007 301 T CA -0.370 61.783 62.100 0.088 0.000 1.175 301 T CB 0.287 69.209 68.868 0.089 0.000 0.993 301 T HN 0.176 nan 8.240 nan 0.000 0.510 302 P HA 0.183 nan 4.420 nan 0.000 0.276 302 P C 0.991 178.413 177.300 0.203 0.000 1.244 302 P CA -0.436 62.782 63.100 0.197 0.000 0.801 302 P CB 0.974 32.813 31.700 0.231 0.000 1.006 303 S N 1.830 117.604 115.700 0.123 0.000 2.393 303 S HA -0.273 4.197 4.470 -0.000 0.000 0.235 303 S C 1.670 176.303 174.600 0.054 0.000 1.061 303 S CA 1.786 60.031 58.200 0.075 0.000 1.129 303 S CB -1.217 62.010 63.200 0.046 0.000 1.011 303 S HN 0.515 nan 8.310 nan 0.000 0.436 304 F N 0.472 120.370 119.950 -0.088 0.000 2.063 304 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 304 F C 1.803 177.443 175.800 -0.267 0.000 1.109 304 F CA 2.331 60.182 58.000 -0.249 0.000 1.212 304 F CB -0.825 37.910 39.000 -0.442 0.000 0.973 304 F HN 0.382 nan 8.300 nan 0.000 0.480 305 W N 0.412 121.753 121.300 0.067 0.000 2.388 305 W HA -0.102 4.558 4.660 -0.000 0.000 0.294 305 W C 2.457 178.920 176.519 -0.093 0.000 1.212 305 W CA 1.072 58.405 57.345 -0.020 0.000 1.271 305 W CB -0.509 29.026 29.460 0.126 0.000 1.126 305 W HN 0.029 nan 8.180 nan 0.000 0.535 306 I N -0.007 120.643 120.570 0.133 0.000 2.286 306 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 306 I C 2.117 178.217 176.117 -0.027 0.000 1.115 306 I CA 1.300 62.637 61.300 0.061 0.000 1.392 306 I CB -0.591 37.440 38.000 0.052 0.000 1.065 306 I HN 0.009 nan 8.210 nan 0.000 0.418 307 L N 0.312 121.458 121.223 -0.130 0.000 2.093 307 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 307 L C 2.826 179.571 176.870 -0.209 0.000 1.085 307 L CA 1.145 55.875 54.840 -0.183 0.000 0.755 307 L CB -0.648 41.254 42.059 -0.263 0.000 0.904 307 L HN 0.209 nan 8.230 nan 0.000 0.435 308 A N 0.224 122.850 122.820 -0.324 0.000 1.902 308 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 308 A C 2.335 179.964 177.584 0.076 0.000 1.181 308 A CA 1.800 53.733 52.037 -0.173 0.000 0.623 308 A CB -0.442 18.388 19.000 -0.284 0.000 0.818 308 A HN 0.293 nan 8.150 nan 0.000 0.443 309 R N 0.366 120.896 120.500 0.050 0.000 2.070 309 R HA -0.027 4.313 4.340 -0.000 0.000 0.233 309 R C 2.155 178.413 176.300 -0.070 0.000 1.137 309 R CA 2.098 58.205 56.100 0.011 0.000 0.945 309 R CB -1.085 29.235 30.300 0.032 0.000 0.845 309 R HN 0.362 nan 8.270 nan 0.000 0.430 310 A N 0.518 123.315 122.820 -0.038 0.000 1.948 310 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 310 A C 2.041 179.592 177.584 -0.055 0.000 1.177 310 A CA 1.584 53.606 52.037 -0.025 0.000 0.636 310 A CB -0.668 18.344 19.000 0.021 0.000 0.815 310 A HN 0.338 nan 8.150 nan 0.000 0.449 311 L N -0.322 120.885 121.223 -0.027 0.000 2.027 311 L HA -0.100 4.240 4.340 -0.000 0.000 0.206 311 L C 2.361 179.186 176.870 -0.075 0.000 1.074 311 L CA 2.314 57.183 54.840 0.047 0.000 0.745 311 L CB -0.790 41.383 42.059 0.189 0.000 0.898 311 L HN 0.490 nan 8.230 nan 0.000 0.433 312 K N -0.838 119.299 120.400 -0.438 0.000 2.026 312 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 312 K C 1.943 178.218 176.600 -0.542 0.000 1.048 312 K CA 1.292 56.944 56.287 -1.058 0.000 0.929 312 K CB 0.082 31.955 32.500 -1.044 0.000 0.713 312 K HN 0.196 nan 8.250 nan 0.000 0.439 313 E N 0.307 120.253 120.200 -0.423 0.000 2.058 313 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 313 E C 1.776 178.029 176.600 -0.578 0.000 0.997 313 E CA 1.094 57.186 56.400 -0.514 0.000 0.801 313 E CB -0.472 28.829 29.700 -0.665 0.000 0.746 313 E HN 0.329 nan 8.360 nan 0.000 0.450 314 F N 1.669 121.251 119.950 -0.614 0.000 2.043 314 F HA -0.274 4.253 4.527 -0.000 0.000 0.297 314 F C 2.331 178.024 175.800 -0.178 0.000 1.121 314 F CA 1.452 59.285 58.000 -0.279 0.000 1.199 314 F CB -0.498 38.442 39.000 -0.099 0.000 0.968 314 F HN -0.181 nan 8.300 nan 0.000 0.478 315 V N 0.907 120.774 119.914 -0.077 0.000 2.278 315 V HA -0.409 3.711 4.120 -0.000 0.000 0.251 315 V C 2.747 178.707 176.094 -0.222 0.000 1.062 315 V CA 2.102 64.329 62.300 -0.121 0.000 1.038 315 V CB -1.914 29.866 31.823 -0.072 0.000 0.646 315 V HN 0.560 nan 8.190 nan 0.000 0.447 316 A N -0.618 122.055 122.820 -0.245 0.000 1.865 316 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 316 A C 2.154 179.622 177.584 -0.194 0.000 1.191 316 A CA 2.311 54.228 52.037 -0.200 0.000 0.623 316 A CB -0.330 18.551 19.000 -0.198 0.000 0.826 316 A HN 0.576 nan 8.150 nan 0.000 0.444 317 K N -0.654 119.608 120.400 -0.230 0.000 3.134 317 K HA -0.028 4.292 4.320 -0.000 0.000 0.164 317 K C 1.900 178.330 176.600 -0.283 0.000 1.133 317 K CA 0.528 56.706 56.287 -0.182 0.000 1.402 317 K CB -0.235 32.232 32.500 -0.056 0.000 1.945 317 K HN 0.363 nan 8.250 nan 0.000 0.482 318 E N 0.307 120.307 120.200 -0.334 0.000 2.331 318 E HA -0.134 4.216 4.350 -0.000 0.000 0.199 318 E C 1.628 177.789 176.600 -0.732 0.000 1.008 318 E CA 1.373 57.522 56.400 -0.418 0.000 0.843 318 E CB -0.491 29.053 29.700 -0.259 0.000 0.761 318 E HN 0.665 nan 8.360 nan 0.000 0.507 319 G N 0.785 108.833 108.800 -1.253 0.000 2.484 319 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 319 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 319 G C 0.596 175.294 174.900 -0.336 0.000 1.130 319 G CA 0.259 44.745 45.100 -1.025 0.000 0.784 319 G HN 0.339 nan 8.290 nan 0.000 0.543 320 Q N -1.298 118.328 119.800 -0.289 0.000 2.439 320 Q HA -0.221 4.119 4.340 -0.000 0.000 0.325 320 Q C 1.384 177.335 176.000 -0.081 0.000 1.372 320 Q CA 0.301 56.017 55.803 -0.145 0.000 0.909 320 Q CB -1.770 26.907 28.738 -0.100 0.000 1.167 320 Q HN 1.075 nan 8.270 nan 0.000 0.418 321 G N -1.132 107.621 108.800 -0.078 0.000 2.258 321 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.233 321 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.233 321 G C -0.025 174.889 174.900 0.023 0.000 1.006 321 G CA 0.186 45.273 45.100 -0.022 0.000 0.620 321 G HN 0.480 nan 8.290 nan 0.000 0.511 322 N N -0.722 117.999 118.700 0.036 0.000 2.405 322 N HA 0.724 5.464 4.740 -0.000 0.000 0.285 322 N C 0.044 175.668 175.510 0.190 0.000 1.262 322 N CA -0.884 52.224 53.050 0.096 0.000 0.773 322 N CB 1.307 39.839 38.487 0.075 0.000 1.490 322 N HN 0.201 nan 8.380 nan 0.000 0.486 323 L N 0.844 122.172 121.223 0.175 0.000 2.473 323 L HA 0.275 4.615 4.340 -0.000 0.000 0.265 323 L C -1.901 175.074 176.870 0.175 0.000 1.243 323 L CA -1.216 53.733 54.840 0.180 0.000 0.822 323 L CB -0.125 41.952 42.059 0.030 0.000 1.101 323 L HN 0.316 nan 8.230 nan 0.000 0.507 324 P HA -0.007 nan 4.420 nan 0.000 0.267 324 P C -0.783 176.460 177.300 -0.095 0.000 1.200 324 P CA -0.282 62.694 63.100 -0.207 0.000 0.772 324 P CB 0.377 31.759 31.700 -0.531 0.000 0.855 325 V N 4.294 124.150 119.914 -0.096 0.000 2.529 325 V HA -0.011 4.109 4.120 -0.000 0.000 0.292 325 V C 2.136 178.185 176.094 -0.075 0.000 1.028 325 V CA 0.374 62.619 62.300 -0.091 0.000 1.074 325 V CB 0.039 31.720 31.823 -0.238 0.000 0.958 325 V HN 0.591 nan 8.190 nan 0.000 0.481 326 R N 3.514 123.997 120.500 -0.028 0.000 2.083 326 R HA -0.089 4.251 4.340 -0.000 0.000 0.237 326 R C 1.598 177.893 176.300 -0.008 0.000 1.137 326 R CA 1.696 57.782 56.100 -0.024 0.000 0.951 326 R CB -0.354 29.949 30.300 0.005 0.000 0.851 326 R HN 1.172 nan 8.270 nan 0.000 0.434 327 G N -0.328 108.496 108.800 0.040 0.000 2.132 327 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.234 327 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.234 327 G C 0.005 174.908 174.900 0.005 0.000 0.989 327 G CA 0.521 45.658 45.100 0.062 0.000 0.676 327 G HN 0.634 nan 8.290 nan 0.000 0.522 328 T N -1.271 113.250 114.554 -0.055 0.000 2.881 328 T HA 0.742 5.092 4.350 -0.000 0.000 0.290 328 T C -0.096 174.488 174.700 -0.194 0.000 1.000 328 T CA -0.290 61.757 62.100 -0.089 0.000 0.978 328 T CB 2.256 71.110 68.868 -0.024 0.000 0.997 328 T HN 1.393 nan 8.240 nan 0.000 0.443 329 I N 1.009 121.433 120.570 -0.243 0.000 2.740 329 I HA 0.790 4.960 4.170 -0.000 0.000 0.303 329 I C -2.433 173.620 176.117 -0.106 0.000 1.044 329 I CA -2.932 58.186 61.300 -0.304 0.000 1.064 329 I CB 2.037 39.700 38.000 -0.562 0.000 1.249 329 I HN 0.425 nan 8.210 nan 0.000 0.433 330 P HA 0.137 nan 4.420 nan 0.000 0.274 330 P C -1.050 176.307 177.300 0.093 0.000 1.260 330 P CA 0.004 63.134 63.100 0.050 0.000 0.793 330 P CB 0.714 32.504 31.700 0.149 0.000 1.048 331 D N -0.277 120.195 120.400 0.121 0.000 2.358 331 D HA 0.441 5.081 4.640 -0.000 0.000 0.244 331 D C -0.359 176.019 176.300 0.130 0.000 1.163 331 D CA -0.136 53.909 54.000 0.076 0.000 0.945 331 D CB 0.310 41.092 40.800 -0.030 0.000 1.152 331 D HN 0.341 nan 8.370 nan 0.000 0.451 332 M N 0.879 120.538 119.600 0.099 0.000 2.346 332 M HA 0.284 4.764 4.480 -0.000 0.000 0.287 332 M C -1.060 175.341 176.300 0.168 0.000 1.100 332 M CA -0.839 54.578 55.300 0.196 0.000 0.950 332 M CB 0.933 33.440 32.600 -0.155 0.000 1.815 332 M HN 0.186 nan 8.290 nan 0.000 0.497 333 I N 3.172 123.873 120.570 0.218 0.000 2.943 333 I HA 0.293 4.463 4.170 -0.000 0.000 0.296 333 I C 0.513 176.736 176.117 0.177 0.000 1.220 333 I CA 0.860 62.257 61.300 0.161 0.000 1.409 333 I CB -0.310 37.800 38.000 0.183 0.000 1.374 333 I HN 0.862 nan 8.210 nan 0.000 0.545 334 A N 5.662 128.556 122.820 0.122 0.000 2.569 334 A HA 0.230 4.550 4.320 -0.000 0.000 0.292 334 A C -0.810 176.797 177.584 0.038 0.000 1.032 334 A CA -0.840 51.287 52.037 0.150 0.000 0.669 334 A CB 0.913 20.044 19.000 0.219 0.000 1.290 334 A HN 0.657 nan 8.150 nan 0.000 0.422 335 D N 1.115 121.526 120.400 0.020 0.000 2.583 335 D HA 0.006 4.645 4.640 -0.000 0.000 0.232 335 D C 1.445 177.730 176.300 -0.026 0.000 1.128 335 D CA 1.225 55.133 54.000 -0.154 0.000 0.859 335 D CB 1.227 42.046 40.800 0.031 0.000 1.169 335 D HN 0.512 nan 8.370 nan 0.000 0.481 336 S N 2.821 118.471 115.700 -0.084 0.000 2.368 336 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 336 S C 1.898 176.535 174.600 0.061 0.000 1.044 336 S CA 1.986 60.176 58.200 -0.015 0.000 1.062 336 S CB -0.416 62.760 63.200 -0.039 0.000 0.931 336 S HN 0.721 nan 8.310 nan 0.000 0.440 337 G N 0.593 109.424 108.800 0.052 0.000 2.421 337 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.217 337 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.217 337 G C 1.510 176.477 174.900 0.112 0.000 1.143 337 G CA 0.492 45.636 45.100 0.074 0.000 0.784 337 G HN 0.523 nan 8.290 nan 0.000 0.541 338 K N -0.696 119.786 120.400 0.137 0.000 2.057 338 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 338 K C 2.131 178.856 176.600 0.209 0.000 1.050 338 K CA 1.066 57.472 56.287 0.199 0.000 0.935 338 K CB -0.319 32.328 32.500 0.245 0.000 0.715 338 K HN 0.408 nan 8.250 nan 0.000 0.439 339 Y N 1.815 122.161 120.300 0.077 0.000 2.145 339 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 339 Y C 1.940 177.853 175.900 0.022 0.000 1.145 339 Y CA 1.410 59.531 58.100 0.035 0.000 1.148 339 Y CB -0.095 38.362 38.460 -0.005 0.000 0.981 339 Y HN -0.068 nan 8.280 nan 0.000 0.507 340 I N 0.346 121.065 120.570 0.247 0.000 2.361 340 I HA -0.308 3.862 4.170 -0.000 0.000 0.251 340 I C 2.474 178.607 176.117 0.025 0.000 1.133 340 I CA 1.626 63.013 61.300 0.144 0.000 1.413 340 I CB -0.406 37.674 38.000 0.132 0.000 1.073 340 I HN 0.247 nan 8.210 nan 0.000 0.424 341 K N 1.105 121.527 120.400 0.036 0.000 2.031 341 K HA -0.206 4.114 4.320 -0.000 0.000 0.205 341 K C 2.212 178.725 176.600 -0.145 0.000 1.049 341 K CA 1.173 57.466 56.287 0.009 0.000 0.939 341 K CB -0.095 32.481 32.500 0.126 0.000 0.717 341 K HN 0.079 nan 8.250 nan 0.000 0.438 342 L N 1.958 123.078 121.223 -0.172 0.000 2.012 342 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 342 L C 2.402 179.139 176.870 -0.222 0.000 1.073 342 L CA 1.872 56.502 54.840 -0.350 0.000 0.748 342 L CB -0.700 41.249 42.059 -0.184 0.000 0.891 342 L HN 0.343 nan 8.230 nan 0.000 0.431 343 Q N -0.856 118.787 119.800 -0.262 0.000 2.181 343 Q HA -0.244 4.096 4.340 -0.000 0.000 0.205 343 Q C 1.751 177.733 176.000 -0.030 0.000 0.980 343 Q CA 1.937 57.634 55.803 -0.177 0.000 0.862 343 Q CB -0.034 28.588 28.738 -0.193 0.000 0.905 343 Q HN 0.628 nan 8.270 nan 0.000 0.429 344 N N -0.799 117.867 118.700 -0.057 0.000 2.354 344 N HA -0.085 4.655 4.740 -0.000 0.000 0.179 344 N C 1.577 177.061 175.510 -0.043 0.000 1.021 344 N CA 0.828 53.858 53.050 -0.034 0.000 0.887 344 N CB 0.060 38.524 38.487 -0.037 0.000 0.974 344 N HN 0.019 nan 8.380 nan 0.000 0.437 345 V N 0.181 120.024 119.914 -0.118 0.000 2.287 345 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 345 V C 1.507 177.580 176.094 -0.035 0.000 1.053 345 V CA 1.599 63.801 62.300 -0.164 0.000 1.027 345 V CB -0.723 30.829 31.823 -0.451 0.000 0.646 345 V HN 0.295 nan 8.190 nan 0.000 0.447 346 Y N 0.052 120.351 120.300 -0.003 0.000 2.153 346 Y HA -0.149 4.401 4.550 -0.000 0.000 0.289 346 Y C 2.748 178.615 175.900 -0.055 0.000 1.127 346 Y CA 1.932 60.054 58.100 0.037 0.000 1.131 346 Y CB -0.462 37.999 38.460 0.002 0.000 0.995 346 Y HN 0.031 nan 8.280 nan 0.000 0.505 347 R N 0.498 121.068 120.500 0.117 0.000 2.094 347 R HA -0.221 4.119 4.340 -0.000 0.000 0.239 347 R C 2.079 178.372 176.300 -0.011 0.000 1.137 347 R CA 1.992 58.110 56.100 0.031 0.000 0.943 347 R CB -0.155 30.154 30.300 0.016 0.000 0.850 347 R HN 0.215 nan 8.270 nan 0.000 0.433 348 E N 0.581 120.771 120.200 -0.018 0.000 2.077 348 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 348 E C 1.791 178.349 176.600 -0.071 0.000 0.989 348 E CA 1.229 57.606 56.400 -0.037 0.000 0.800 348 E CB -0.137 29.545 29.700 -0.029 0.000 0.746 348 E HN 0.159 nan 8.360 nan 0.000 0.452 349 K N 1.215 121.547 120.400 -0.112 0.000 1.985 349 K HA -0.071 4.249 4.320 -0.000 0.000 0.210 349 K C 1.980 178.446 176.600 -0.224 0.000 1.047 349 K CA 1.886 58.020 56.287 -0.255 0.000 0.932 349 K CB -0.812 31.295 32.500 -0.655 0.000 0.716 349 K HN 0.022 nan 8.250 nan 0.000 0.439 350 A N 1.233 123.942 122.820 -0.185 0.000 1.903 350 A HA -0.306 4.013 4.320 -0.000 0.000 0.219 350 A C 2.232 179.742 177.584 -0.123 0.000 1.191 350 A CA 2.459 54.411 52.037 -0.141 0.000 0.638 350 A CB -0.830 18.123 19.000 -0.079 0.000 0.823 350 A HN 0.527 nan 8.150 nan 0.000 0.451 351 K N -0.293 120.052 120.400 -0.092 0.000 2.103 351 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 351 K C 2.045 178.597 176.600 -0.080 0.000 1.048 351 K CA 1.907 58.148 56.287 -0.077 0.000 0.930 351 K CB -0.167 32.300 32.500 -0.056 0.000 0.716 351 K HN 0.553 nan 8.250 nan 0.000 0.444 352 K N 0.410 120.762 120.400 -0.080 0.000 1.984 352 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 352 K C 1.817 178.392 176.600 -0.041 0.000 1.046 352 K CA 1.833 58.086 56.287 -0.055 0.000 0.934 352 K CB -0.189 32.280 32.500 -0.053 0.000 0.717 352 K HN 0.118 nan 8.250 nan 0.000 0.438 353 D N 0.848 121.212 120.400 -0.060 0.000 2.172 353 D HA -0.204 4.436 4.640 -0.000 0.000 0.196 353 D C 1.760 177.909 176.300 -0.251 0.000 0.999 353 D CA 1.525 55.485 54.000 -0.067 0.000 0.856 353 D CB -0.267 40.438 40.800 -0.158 0.000 0.934 353 D HN 0.285 nan 8.370 nan 0.000 0.453 354 A N 0.721 123.417 122.820 -0.207 0.000 1.883 354 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 354 A C 2.310 179.816 177.584 -0.129 0.000 1.186 354 A CA 2.350 54.271 52.037 -0.193 0.000 0.624 354 A CB -0.907 18.009 19.000 -0.141 0.000 0.822 354 A HN 0.253 nan 8.150 nan 0.000 0.444 355 A N -0.184 122.587 122.820 -0.081 0.000 1.902 355 A HA 0.152 4.471 4.320 -0.000 0.000 0.217 355 A C 2.526 180.092 177.584 -0.030 0.000 1.181 355 A CA 2.186 54.192 52.037 -0.052 0.000 0.623 355 A CB -1.093 17.883 19.000 -0.039 0.000 0.818 355 A HN 1.088 nan 8.150 nan 0.000 0.443 356 A N -0.455 122.378 122.820 0.022 0.000 1.865 356 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 356 A C 2.239 179.913 177.584 0.150 0.000 1.191 356 A CA 2.030 54.140 52.037 0.122 0.000 0.623 356 A CB -1.176 18.073 19.000 0.414 0.000 0.826 356 A HN 0.460 nan 8.150 nan 0.000 0.444 357 V N 0.053 120.015 119.914 0.081 0.000 2.332 357 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 357 V C 2.814 178.934 176.094 0.042 0.000 1.055 357 V CA 2.040 64.378 62.300 0.063 0.000 1.038 357 V CB -1.552 30.136 31.823 -0.226 0.000 0.651 357 V HN 0.660 nan 8.190 nan 0.000 0.450 358 G N -0.270 108.512 108.800 -0.029 0.000 2.440 358 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 358 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 358 G C 1.382 176.265 174.900 -0.028 0.000 1.154 358 G CA 1.300 46.379 45.100 -0.034 0.000 0.767 358 G HN 0.626 nan 8.290 nan 0.000 0.552 359 N N -0.320 118.342 118.700 -0.064 0.000 2.025 359 N HA -0.149 4.591 4.740 -0.000 0.000 0.194 359 N C 2.025 177.479 175.510 -0.095 0.000 1.044 359 N CA 1.017 53.997 53.050 -0.116 0.000 0.851 359 N CB -0.289 38.071 38.487 -0.212 0.000 1.036 359 N HN 0.262 nan 8.380 nan 0.000 0.422 360 H N 0.406 119.482 119.070 0.010 0.000 2.394 360 H HA -0.107 4.449 4.556 -0.000 0.000 0.297 360 H C 2.229 177.553 175.328 -0.008 0.000 1.113 360 H CA 1.035 57.086 56.048 0.006 0.000 1.277 360 H CB -0.440 29.337 29.762 0.024 0.000 1.370 360 H HN 0.105 nan 8.280 nan 0.000 0.506 361 V N 1.058 121.030 119.914 0.096 0.000 2.237 361 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 361 V C 2.892 178.999 176.094 0.022 0.000 1.046 361 V CA 1.659 63.983 62.300 0.040 0.000 1.007 361 V CB -1.192 30.635 31.823 0.006 0.000 0.638 361 V HN 0.487 nan 8.190 nan 0.000 0.445 362 A N 0.018 122.841 122.820 0.005 0.000 1.903 362 A HA -0.333 3.987 4.320 -0.000 0.000 0.219 362 A C 2.255 179.841 177.584 0.003 0.000 1.191 362 A CA 2.577 54.612 52.037 -0.004 0.000 0.638 362 A CB -0.609 18.380 19.000 -0.018 0.000 0.823 362 A HN 0.597 nan 8.150 nan 0.000 0.451 363 K N -1.053 119.351 120.400 0.005 0.000 2.009 363 K HA -0.153 4.167 4.320 -0.000 0.000 0.210 363 K C 1.860 178.473 176.600 0.022 0.000 1.049 363 K CA 1.490 57.785 56.287 0.012 0.000 0.929 363 K CB -0.459 32.054 32.500 0.022 0.000 0.714 363 K HN 0.302 nan 8.250 nan 0.000 0.440 364 L N 1.278 122.522 121.223 0.035 0.000 2.013 364 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 364 L C 2.199 179.083 176.870 0.023 0.000 1.073 364 L CA 1.587 56.446 54.840 0.032 0.000 0.753 364 L CB -0.711 41.371 42.059 0.038 0.000 0.890 364 L HN 0.192 nan 8.230 nan 0.000 0.432 365 L N -1.432 119.803 121.223 0.019 0.000 2.012 365 L HA -0.295 4.045 4.340 -0.000 0.000 0.210 365 L C 2.632 179.509 176.870 0.011 0.000 1.073 365 L CA 1.368 56.217 54.840 0.015 0.000 0.748 365 L CB -0.602 41.462 42.059 0.009 0.000 0.891 365 L HN 0.388 nan 8.230 nan 0.000 0.431 366 Q N -0.189 119.615 119.800 0.008 0.000 2.061 366 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 366 Q C 2.286 178.290 176.000 0.006 0.000 0.984 366 Q CA 2.009 57.814 55.803 0.005 0.000 0.846 366 Q CB -0.340 28.399 28.738 0.001 0.000 0.902 366 Q HN 0.616 nan 8.270 nan 0.000 0.421 367 S N -0.229 115.476 115.700 0.009 0.000 2.584 367 S HA -0.070 4.400 4.470 -0.000 0.000 0.240 367 S C 1.575 176.180 174.600 0.009 0.000 0.975 367 S CA 0.726 58.931 58.200 0.008 0.000 0.949 367 S CB -0.167 63.039 63.200 0.010 0.000 0.761 367 S HN 0.308 nan 8.310 nan 0.000 0.536 368 I N -0.155 120.421 120.570 0.010 0.000 3.939 368 I HA 0.293 4.463 4.170 -0.000 0.000 0.313 368 I C 1.854 177.976 176.117 0.009 0.000 1.274 368 I CA 0.548 61.855 61.300 0.011 0.000 1.301 368 I CB 0.400 38.410 38.000 0.017 0.000 1.105 368 I HN 0.526 nan 8.210 nan 0.000 0.427 369 G N 1.038 109.842 108.800 0.008 0.000 2.179 369 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.220 369 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.220 369 G C 0.180 175.083 174.900 0.006 0.000 0.990 369 G CA -0.429 44.674 45.100 0.006 0.000 0.646 369 G HN 0.351 nan 8.290 nan 0.000 0.517 370 Q N 0.305 120.109 119.800 0.008 0.000 2.260 370 Q HA 0.650 4.990 4.340 -0.000 0.000 0.242 370 Q C 0.663 176.666 176.000 0.004 0.000 0.932 370 Q CA 0.011 55.818 55.803 0.008 0.000 0.891 370 Q CB 1.421 30.166 28.738 0.011 0.000 1.222 370 Q HN 0.710 nan 8.270 nan 0.000 0.453 371 A N 3.080 125.902 122.820 0.003 0.000 2.520 371 A HA 0.129 4.449 4.320 -0.000 0.000 0.245 371 A C -1.682 175.900 177.584 -0.002 0.000 1.072 371 A CA -1.068 50.969 52.037 -0.000 0.000 0.761 371 A CB -0.178 18.822 19.000 -0.001 0.000 1.004 371 A HN 0.563 nan 8.150 nan 0.000 0.499 372 P HA -0.167 nan 4.420 nan 0.000 0.218 372 P C 0.776 178.071 177.300 -0.009 0.000 1.146 372 P CA 1.486 64.582 63.100 -0.007 0.000 0.820 372 P CB 0.342 32.036 31.700 -0.010 0.000 0.778 373 E N -1.421 118.774 120.200 -0.008 0.000 2.394 373 E HA 0.077 4.427 4.350 -0.000 0.000 0.191 373 E C 1.533 178.129 176.600 -0.007 0.000 1.044 373 E CA -0.019 56.375 56.400 -0.010 0.000 0.939 373 E CB -1.085 28.609 29.700 -0.010 0.000 1.089 373 E HN -0.080 nan 8.360 nan 0.000 0.456 374 S N -0.495 115.202 115.700 -0.004 0.000 2.507 374 S HA 0.084 4.554 4.470 -0.000 0.000 0.235 374 S C 0.640 175.238 174.600 -0.003 0.000 0.988 374 S CA 0.282 58.481 58.200 -0.001 0.000 0.944 374 S CB 0.005 63.208 63.200 0.004 0.000 0.762 374 S HN 0.274 nan 8.310 nan 0.000 0.526 375 I N 2.216 122.781 120.570 -0.008 0.000 2.439 375 I HA 0.232 4.402 4.170 -0.000 0.000 0.285 375 I C 0.237 176.342 176.117 -0.021 0.000 1.021 375 I CA -0.702 60.589 61.300 -0.014 0.000 1.091 375 I CB 2.053 40.042 38.000 -0.018 0.000 1.242 375 I HN 0.180 nan 8.210 nan 0.000 0.439 376 S N 3.871 119.558 115.700 -0.022 0.000 2.572 376 S HA 0.005 4.475 4.470 -0.000 0.000 0.267 376 S C 0.995 175.574 174.600 -0.035 0.000 1.361 376 S CA -0.085 58.099 58.200 -0.026 0.000 1.009 376 S CB 1.225 64.410 63.200 -0.025 0.000 0.888 376 S HN 0.804 nan 8.310 nan 0.000 0.553 377 E N 0.957 121.135 120.200 -0.036 0.000 2.158 377 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 377 E C 1.746 178.315 176.600 -0.053 0.000 0.982 377 E CA 0.768 57.141 56.400 -0.044 0.000 0.823 377 E CB -0.115 29.562 29.700 -0.039 0.000 0.766 377 E HN 0.726 nan 8.360 nan 0.000 0.468 378 K N 0.661 121.031 120.400 -0.051 0.000 2.009 378 K HA -0.187 4.132 4.320 -0.000 0.000 0.210 378 K C 2.119 178.675 176.600 -0.073 0.000 1.049 378 K CA 1.771 58.020 56.287 -0.064 0.000 0.929 378 K CB -0.137 32.327 32.500 -0.061 0.000 0.714 378 K HN 0.181 nan 8.250 nan 0.000 0.440 379 E N 0.921 121.083 120.200 -0.062 0.000 2.049 379 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 379 E C 2.090 178.644 176.600 -0.077 0.000 1.007 379 E CA 1.226 57.587 56.400 -0.064 0.000 0.809 379 E CB -0.257 29.414 29.700 -0.049 0.000 0.749 379 E HN 0.105 nan 8.360 nan 0.000 0.450 380 L N 1.857 123.036 121.223 -0.074 0.000 1.971 380 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 380 L C 2.041 178.852 176.870 -0.098 0.000 1.072 380 L CA 1.987 56.776 54.840 -0.086 0.000 0.758 380 L CB -0.323 41.690 42.059 -0.075 0.000 0.889 380 L HN -0.036 nan 8.230 nan 0.000 0.433 381 K N -1.062 119.285 120.400 -0.088 0.000 2.063 381 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 381 K C 2.073 178.617 176.600 -0.093 0.000 1.048 381 K CA 1.743 57.976 56.287 -0.090 0.000 0.928 381 K CB -0.526 31.927 32.500 -0.078 0.000 0.713 381 K HN 0.271 nan 8.250 nan 0.000 0.442 382 L N 1.410 122.577 121.223 -0.095 0.000 2.046 382 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 382 L C 2.160 178.977 176.870 -0.088 0.000 1.077 382 L CA 1.228 56.011 54.840 -0.095 0.000 0.747 382 L CB -0.529 41.465 42.059 -0.108 0.000 0.896 382 L HN 0.108 nan 8.230 nan 0.000 0.432 383 L N -0.671 120.493 121.223 -0.097 0.000 1.989 383 L HA -0.270 4.070 4.340 -0.000 0.000 0.211 383 L C 2.518 179.315 176.870 -0.122 0.000 1.071 383 L CA 2.276 57.050 54.840 -0.110 0.000 0.749 383 L CB -1.066 40.913 42.059 -0.134 0.000 0.890 383 L HN 0.385 nan 8.230 nan 0.000 0.431 384 C N -0.555 118.662 119.300 -0.138 0.000 2.411 384 C HA -0.133 4.327 4.460 -0.000 0.000 0.279 384 C C 2.885 177.797 174.990 -0.130 0.000 1.288 384 C CA 1.143 60.062 59.018 -0.166 0.000 1.764 384 C CB -1.398 26.228 27.740 -0.190 0.000 1.974 384 C HN 0.703 nan 8.230 nan 0.000 0.498 385 S N 1.282 116.930 115.700 -0.087 0.000 2.368 385 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 385 S C 1.371 175.978 174.600 0.012 0.000 1.029 385 S CA 1.092 59.270 58.200 -0.037 0.000 0.988 385 S CB -0.305 62.881 63.200 -0.023 0.000 0.838 385 S HN 0.688 nan 8.310 nan 0.000 0.462 386 N N 1.554 120.260 118.700 0.010 0.000 2.268 386 N HA 0.097 4.837 4.740 -0.000 0.000 0.204 386 N C 1.454 176.910 175.510 -0.090 0.000 1.124 386 N CA 0.543 53.658 53.050 0.108 0.000 0.838 386 N CB 0.098 38.649 38.487 0.107 0.000 0.994 386 N HN 0.475 nan 8.380 nan 0.000 0.489 387 S N 1.135 116.734 115.700 -0.168 0.000 2.389 387 S HA -0.242 4.228 4.470 -0.000 0.000 0.231 387 S C 1.912 176.331 174.600 -0.302 0.000 1.052 387 S CA 1.371 59.447 58.200 -0.206 0.000 1.053 387 S CB -0.333 62.756 63.200 -0.186 0.000 0.886 387 S HN 0.334 nan 8.310 nan 0.000 0.456 388 A N -0.322 122.173 122.820 -0.541 0.000 2.238 388 A HA 0.505 4.825 4.320 -0.000 0.000 0.208 388 A C 1.020 178.135 177.584 -0.783 0.000 1.177 388 A CA 0.050 51.651 52.037 -0.727 0.000 0.804 388 A CB -0.542 17.901 19.000 -0.928 0.000 0.823 388 A HN 0.637 nan 8.150 nan 0.000 0.482 389 F N -0.758 119.148 119.950 -0.072 0.000 2.772 389 F HA 0.351 4.878 4.527 -0.000 0.000 0.316 389 F C 0.242 176.004 175.800 -0.064 0.000 1.114 389 F CA -0.701 57.260 58.000 -0.064 0.000 1.191 389 F CB 0.082 39.041 39.000 -0.068 0.000 1.065 389 F HN -0.087 nan 8.300 nan 0.000 0.534 390 L N 2.135 123.378 121.223 0.033 0.000 2.499 390 L HA 0.272 4.612 4.340 -0.000 0.000 0.281 390 L C 0.264 177.156 176.870 0.036 0.000 1.234 390 L CA 0.398 55.266 54.840 0.048 0.000 0.839 390 L CB 0.301 42.375 42.059 0.026 0.000 1.104 390 L HN 0.215 nan 8.230 nan 0.000 0.500 391 R N 1.412 121.915 120.500 0.006 0.000 2.566 391 R HA 0.609 4.949 4.340 -0.000 0.000 0.271 391 R C -1.765 174.449 176.300 -0.143 0.000 1.071 391 R CA -0.749 55.333 56.100 -0.030 0.000 0.915 391 R CB 2.378 32.682 30.300 0.006 0.000 1.228 391 R HN 0.293 nan 8.270 nan 0.000 0.449 392 V N 2.671 122.525 119.914 -0.101 0.000 2.588 392 V HA 0.493 4.613 4.120 -0.000 0.000 0.304 392 V C -0.402 175.679 176.094 -0.022 0.000 1.042 392 V CA -0.818 61.395 62.300 -0.145 0.000 0.877 392 V CB 2.199 33.976 31.823 -0.077 0.000 0.996 392 V HN 0.444 nan 8.190 nan 0.000 0.425 393 V N 5.474 125.385 119.914 -0.004 0.000 2.604 393 V HA 0.642 4.762 4.120 -0.000 0.000 0.305 393 V C -0.279 175.839 176.094 0.040 0.000 1.043 393 V CA -0.751 61.567 62.300 0.029 0.000 0.888 393 V CB 2.208 34.048 31.823 0.029 0.000 0.995 393 V HN 0.869 nan 8.190 nan 0.000 0.429 394 R N 2.617 123.142 120.500 0.042 0.000 2.538 394 R HA 0.616 4.956 4.340 -0.000 0.000 0.292 394 R C -1.473 174.864 176.300 0.062 0.000 1.008 394 R CA -0.435 55.700 56.100 0.059 0.000 0.896 394 R CB 1.837 32.189 30.300 0.087 0.000 1.187 394 R HN 0.710 nan 8.270 nan 0.000 0.440 395 C N 2.265 121.611 119.300 0.078 0.000 2.358 395 C HA 0.458 4.918 4.460 -0.000 0.000 0.342 395 C C 0.694 175.815 174.990 0.219 0.000 1.234 395 C CA -1.006 58.069 59.018 0.094 0.000 1.969 395 C CB 0.725 28.492 27.740 0.045 0.000 2.346 395 C HN 0.732 nan 8.230 nan 0.000 0.525 396 R N 1.661 122.245 120.500 0.140 0.000 2.643 396 R HA 0.317 4.657 4.340 -0.000 0.000 0.270 396 R C 0.752 177.087 176.300 0.058 0.000 1.061 396 R CA 0.093 56.255 56.100 0.104 0.000 1.107 396 R CB 0.501 30.828 30.300 0.047 0.000 0.999 396 R HN 0.951 nan 8.270 nan 0.000 0.460 397 S N 1.746 117.281 115.700 -0.276 0.000 2.580 397 S HA -0.038 4.432 4.470 -0.000 0.000 0.266 397 S C 1.080 175.557 174.600 -0.204 0.000 1.354 397 S CA -0.680 57.138 58.200 -0.637 0.000 1.008 397 S CB 0.635 62.985 63.200 -1.416 0.000 0.898 397 S HN 0.589 nan 8.310 nan 0.000 0.555 398 L N 1.707 122.858 121.223 -0.120 0.000 2.201 398 L HA 0.136 4.476 4.340 -0.000 0.000 0.212 398 L C 2.518 179.393 176.870 0.009 0.000 1.105 398 L CA 2.037 56.877 54.840 -0.000 0.000 0.775 398 L CB -1.567 40.478 42.059 -0.022 0.000 0.913 398 L HN 0.946 nan 8.230 nan 0.000 0.440 399 A N -0.624 122.130 122.820 -0.110 0.000 1.877 399 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 399 A C 2.136 179.726 177.584 0.010 0.000 1.186 399 A CA 1.722 53.726 52.037 -0.055 0.000 0.620 399 A CB -0.584 18.325 19.000 -0.151 0.000 0.822 399 A HN 0.573 nan 8.150 nan 0.000 0.443 400 E N -0.593 119.564 120.200 -0.071 0.000 2.160 400 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 400 E C 2.023 178.664 176.600 0.068 0.000 0.991 400 E CA 1.259 57.647 56.400 -0.020 0.000 0.810 400 E CB -0.116 29.543 29.700 -0.068 0.000 0.742 400 E HN 0.838 nan 8.360 nan 0.000 0.466 401 E N 0.038 120.309 120.200 0.118 0.000 2.072 401 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 401 E C 1.368 178.088 176.600 0.201 0.000 0.982 401 E CA 0.770 57.267 56.400 0.162 0.000 0.803 401 E CB 0.030 29.867 29.700 0.228 0.000 0.755 401 E HN 0.283 nan 8.360 nan 0.000 0.453 402 Y N 0.507 120.874 120.300 0.112 0.000 2.561 402 Y HA 0.191 4.741 4.550 -0.000 0.000 0.291 402 Y C 1.193 177.252 175.900 0.266 0.000 1.141 402 Y CA 0.619 58.834 58.100 0.190 0.000 1.303 402 Y CB -0.052 38.496 38.460 0.146 0.000 1.015 402 Y HN -0.005 nan 8.280 nan 0.000 0.547 403 G N -0.074 108.888 108.800 0.271 0.000 2.398 403 G HA2 0.150 4.110 3.960 -0.000 0.000 0.246 403 G HA3 0.150 4.110 3.960 -0.000 0.000 0.246 403 G C 0.911 175.921 174.900 0.184 0.000 1.289 403 G CA -0.398 44.806 45.100 0.173 0.000 0.869 403 G HN 0.337 nan 8.290 nan 0.000 0.543 404 L N 1.058 122.303 121.223 0.036 0.000 2.131 404 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 404 L C 2.416 179.280 176.870 -0.010 0.000 1.092 404 L CA 1.358 56.139 54.840 -0.099 0.000 0.759 404 L CB -0.062 41.865 42.059 -0.220 0.000 0.903 404 L HN 0.611 nan 8.230 nan 0.000 0.435 405 D N -0.708 119.696 120.400 0.006 0.000 2.216 405 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 405 D C 1.941 178.260 176.300 0.032 0.000 0.960 405 D CA 1.643 55.648 54.000 0.009 0.000 0.861 405 D CB 0.332 41.131 40.800 -0.002 0.000 0.985 405 D HN 0.312 nan 8.370 nan 0.000 0.493 406 T N -0.425 114.156 114.554 0.045 0.000 3.067 406 T HA 0.061 4.411 4.350 -0.000 0.000 0.261 406 T C 1.482 176.219 174.700 0.061 0.000 1.110 406 T CA -0.462 61.665 62.100 0.045 0.000 1.113 406 T CB 0.117 69.005 68.868 0.033 0.000 0.917 406 T HN 0.042 nan 8.240 nan 0.000 0.499 407 I N 3.969 124.600 120.570 0.102 0.000 2.919 407 I HA -0.080 4.090 4.170 -0.000 0.000 0.299 407 I C 0.358 176.499 176.117 0.040 0.000 1.221 407 I CA 0.355 61.709 61.300 0.090 0.000 1.424 407 I CB -0.206 37.906 38.000 0.186 0.000 1.358 407 I HN 0.210 nan 8.210 nan 0.000 0.551 408 N N 8.238 126.946 118.700 0.015 0.000 3.127 408 N HA -0.042 4.697 4.740 -0.000 0.000 0.317 408 N C 1.197 176.703 175.510 -0.006 0.000 1.242 408 N CA 0.000 53.055 53.050 0.008 0.000 1.203 408 N CB 0.224 38.716 38.487 0.007 0.000 1.462 408 N HN 0.618 nan 8.380 nan 0.000 0.546 409 K N -0.752 119.646 120.400 -0.002 0.000 2.283 409 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 409 K C 1.050 177.646 176.600 -0.006 0.000 1.048 409 K CA 0.448 56.726 56.287 -0.015 0.000 0.948 409 K CB 0.314 32.807 32.500 -0.011 0.000 0.742 409 K HN 0.145 nan 8.250 nan 0.000 0.458 410 D N 1.792 122.195 120.400 0.006 0.000 2.104 410 D HA -0.205 4.435 4.640 -0.000 0.000 0.194 410 D C 1.936 178.248 176.300 0.021 0.000 0.994 410 D CA 1.511 55.519 54.000 0.013 0.000 0.830 410 D CB 0.160 40.971 40.800 0.019 0.000 0.959 410 D HN 0.364 nan 8.370 nan 0.000 0.452 411 E N 0.574 120.789 120.200 0.026 0.000 2.031 411 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 411 E C 2.361 178.983 176.600 0.037 0.000 0.994 411 E CA 0.906 57.337 56.400 0.051 0.000 0.800 411 E CB -0.360 29.379 29.700 0.065 0.000 0.752 411 E HN 0.311 nan 8.360 nan 0.000 0.447 412 I N 0.512 121.072 120.570 -0.017 0.000 2.099 412 I HA -0.306 3.864 4.170 -0.000 0.000 0.239 412 I C 2.438 178.538 176.117 -0.028 0.000 1.066 412 I CA 1.443 62.709 61.300 -0.057 0.000 1.324 412 I CB -0.436 37.527 38.000 -0.062 0.000 1.037 412 I HN 0.200 nan 8.210 nan 0.000 0.401 413 I N 0.018 120.578 120.570 -0.016 0.000 2.208 413 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 413 I C 2.827 178.949 176.117 0.009 0.000 1.097 413 I CA 1.505 62.800 61.300 -0.008 0.000 1.363 413 I CB -0.460 37.535 38.000 -0.008 0.000 1.051 413 I HN 0.263 nan 8.210 nan 0.000 0.413 414 S N 0.388 116.102 115.700 0.023 0.000 2.353 414 S HA -0.200 4.270 4.470 -0.000 0.000 0.222 414 S C 2.250 176.883 174.600 0.055 0.000 1.035 414 S CA 2.198 60.421 58.200 0.038 0.000 1.025 414 S CB -0.192 63.036 63.200 0.048 0.000 0.902 414 S HN 0.425 nan 8.310 nan 0.000 0.440 415 S N 1.461 117.208 115.700 0.078 0.000 2.368 415 S HA 0.035 4.505 4.470 -0.000 0.000 0.225 415 S C 1.757 176.397 174.600 0.067 0.000 1.030 415 S CA 1.108 59.381 58.200 0.122 0.000 0.999 415 S CB -0.338 62.996 63.200 0.223 0.000 0.844 415 S HN 0.429 nan 8.310 nan 0.000 0.459 416 M N 1.986 121.599 119.600 0.021 0.000 2.706 416 M HA -0.041 4.439 4.480 -0.000 0.000 0.253 416 M C 0.638 176.948 176.300 0.016 0.000 1.063 416 M CA 0.513 55.814 55.300 0.000 0.000 1.067 416 M CB -1.310 31.278 32.600 -0.021 0.000 1.423 416 M HN 0.173 nan 8.290 nan 0.000 0.530 417 D N 0.372 120.789 120.400 0.030 0.000 2.351 417 D HA -0.069 4.571 4.640 -0.000 0.000 0.216 417 D C 0.682 177.003 176.300 0.035 0.000 0.968 417 D CA 0.559 54.577 54.000 0.030 0.000 0.899 417 D CB -0.086 40.734 40.800 0.033 0.000 0.907 417 D HN 0.515 nan 8.370 nan 0.000 0.514 418 N N 0.218 118.943 118.700 0.041 0.000 2.479 418 N HA 0.130 4.870 4.740 -0.000 0.000 0.261 418 N C -2.208 173.330 175.510 0.047 0.000 0.979 418 N CA -1.831 51.248 53.050 0.048 0.000 0.930 418 N CB 2.171 40.693 38.487 0.058 0.000 1.172 418 N HN -0.338 nan 8.380 nan 0.000 0.499 419 P HA -0.100 nan 4.420 nan 0.000 0.222 419 P C -0.472 176.892 177.300 0.107 0.000 1.142 419 P CA 1.163 64.310 63.100 0.079 0.000 0.788 419 P CB 0.217 31.979 31.700 0.104 0.000 0.767 420 D N -2.575 117.889 120.400 0.107 0.000 2.501 420 D HA 0.030 4.670 4.640 -0.000 0.000 0.224 420 D C 0.227 176.572 176.300 0.075 0.000 1.202 420 D CA -0.164 53.920 54.000 0.140 0.000 0.829 420 D CB -0.336 40.576 40.800 0.188 0.000 1.023 420 D HN 0.176 nan 8.370 nan 0.000 0.499 421 N N 2.283 121.012 118.700 0.049 0.000 2.492 421 N HA -0.081 4.659 4.740 -0.000 0.000 0.262 421 N C 1.248 176.804 175.510 0.076 0.000 1.202 421 N CA 0.215 53.320 53.050 0.091 0.000 0.926 421 N CB 1.210 39.768 38.487 0.117 0.000 1.078 421 N HN -0.050 nan 8.380 nan 0.000 0.454 422 E N 3.592 123.892 120.200 0.167 0.000 2.339 422 E HA -0.242 4.108 4.350 -0.000 0.000 0.201 422 E C 1.542 178.169 176.600 0.045 0.000 1.015 422 E CA 0.750 57.240 56.400 0.150 0.000 0.841 422 E CB -0.362 29.480 29.700 0.236 0.000 0.754 422 E HN 0.702 nan 8.360 nan 0.000 0.508 423 I N 1.108 121.617 120.570 -0.102 0.000 3.176 423 I HA -0.176 3.994 4.170 -0.000 0.000 0.275 423 I C 1.732 177.713 176.117 -0.227 0.000 1.298 423 I CA 0.202 61.237 61.300 -0.441 0.000 1.445 423 I CB 0.178 37.712 38.000 -0.778 0.000 1.075 423 I HN -0.119 nan 8.210 nan 0.000 0.482 424 V N 1.031 120.809 119.914 -0.228 0.000 2.295 424 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 424 V C 2.330 178.235 176.094 -0.316 0.000 1.049 424 V CA 1.852 63.939 62.300 -0.355 0.000 1.024 424 V CB -0.778 30.606 31.823 -0.732 0.000 0.648 424 V HN 0.400 nan 8.190 nan 0.000 0.447 425 L N -1.006 120.107 121.223 -0.184 0.000 2.081 425 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 425 L C 2.546 179.373 176.870 -0.071 0.000 1.080 425 L CA 2.207 57.051 54.840 0.006 0.000 0.754 425 L CB -0.892 41.274 42.059 0.179 0.000 0.893 425 L HN 0.428 nan 8.230 nan 0.000 0.433 426 Y N 0.966 121.155 120.300 -0.185 0.000 2.133 426 Y HA -0.215 4.335 4.550 -0.000 0.000 0.287 426 Y C 2.370 178.072 175.900 -0.331 0.000 1.134 426 Y CA 1.431 59.410 58.100 -0.202 0.000 1.133 426 Y CB -0.309 38.025 38.460 -0.210 0.000 0.987 426 Y HN -0.047 nan 8.280 nan 0.000 0.502 427 L N -0.709 120.292 121.223 -0.371 0.000 2.012 427 L HA -0.311 4.029 4.340 -0.000 0.000 0.210 427 L C 2.543 179.008 176.870 -0.674 0.000 1.073 427 L CA 1.509 56.069 54.840 -0.467 0.000 0.748 427 L CB -0.698 41.275 42.059 -0.144 0.000 0.891 427 L HN 0.286 nan 8.230 nan 0.000 0.431 428 M N -0.496 118.715 119.600 -0.649 0.000 2.149 428 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 428 M C 2.368 178.119 176.300 -0.914 0.000 1.064 428 M CA 1.780 56.536 55.300 -0.907 0.000 1.102 428 M CB -1.047 30.626 32.600 -1.544 0.000 1.369 428 M HN 0.275 nan 8.290 nan 0.000 0.408 429 L N -0.703 120.055 121.223 -0.775 0.000 2.083 429 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 429 L C 2.716 179.177 176.870 -0.681 0.000 1.083 429 L CA 0.918 55.370 54.840 -0.646 0.000 0.752 429 L CB -0.457 41.278 42.059 -0.540 0.000 0.899 429 L HN 0.255 nan 8.230 nan 0.000 0.433 430 R N -0.054 119.894 120.500 -0.921 0.000 2.075 430 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 430 R C 2.277 178.097 176.300 -0.799 0.000 1.126 430 R CA 1.407 56.888 56.100 -1.031 0.000 0.963 430 R CB -0.931 28.239 30.300 -1.884 0.000 0.858 430 R HN 0.335 nan 8.270 nan 0.000 0.435 431 A N 0.899 123.266 122.820 -0.755 0.000 1.877 431 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 431 A C 2.507 179.964 177.584 -0.213 0.000 1.186 431 A CA 1.583 53.382 52.037 -0.396 0.000 0.620 431 A CB -0.718 18.086 19.000 -0.328 0.000 0.822 431 A HN 0.088 nan 8.150 nan 0.000 0.443 432 V N 0.695 120.435 119.914 -0.290 0.000 2.392 432 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 432 V C 2.207 178.316 176.094 0.025 0.000 1.059 432 V CA 2.418 64.635 62.300 -0.140 0.000 1.051 432 V CB -0.805 30.840 31.823 -0.296 0.000 0.658 432 V HN 0.504 nan 8.190 nan 0.000 0.455 433 D N -0.594 119.757 120.400 -0.082 0.000 2.117 433 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 433 D C 2.319 178.659 176.300 0.066 0.000 0.982 433 D CA 1.155 55.165 54.000 0.018 0.000 0.828 433 D CB -0.241 40.519 40.800 -0.066 0.000 0.967 433 D HN 0.318 nan 8.370 nan 0.000 0.464 434 R N -0.352 120.151 120.500 0.005 0.000 2.080 434 R HA -0.158 4.182 4.340 -0.000 0.000 0.236 434 R C 2.383 178.727 176.300 0.073 0.000 1.137 434 R CA 1.079 57.202 56.100 0.040 0.000 0.943 434 R CB -0.635 29.682 30.300 0.028 0.000 0.846 434 R HN 0.175 nan 8.270 nan 0.000 0.431 435 F N 1.035 120.953 119.950 -0.054 0.000 2.091 435 F HA -0.351 4.176 4.527 -0.000 0.000 0.299 435 F C 2.595 178.347 175.800 -0.080 0.000 1.103 435 F CA 2.266 60.236 58.000 -0.050 0.000 1.228 435 F CB -0.435 38.549 39.000 -0.027 0.000 0.984 435 F HN 0.230 nan 8.300 nan 0.000 0.477 436 H N 0.265 119.427 119.070 0.152 0.000 2.321 436 H HA -0.190 4.366 4.556 -0.000 0.000 0.300 436 H C 2.270 177.510 175.328 -0.147 0.000 1.087 436 H CA 1.938 57.905 56.048 -0.135 0.000 1.319 436 H CB -0.210 29.229 29.762 -0.538 0.000 1.379 436 H HN 0.162 nan 8.280 nan 0.000 0.501 437 K N 1.094 121.443 120.400 -0.085 0.000 2.032 437 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 437 K C 2.483 178.972 176.600 -0.186 0.000 1.048 437 K CA 1.904 58.121 56.287 -0.117 0.000 0.927 437 K CB -0.488 32.012 32.500 0.000 0.000 0.712 437 K HN 0.462 nan 8.250 nan 0.000 0.441 438 Q N -0.330 119.362 119.800 -0.180 0.000 1.916 438 Q HA -0.134 4.206 4.340 -0.000 0.000 0.203 438 Q C 1.817 177.635 176.000 -0.303 0.000 0.983 438 Q CA 1.552 57.221 55.803 -0.222 0.000 0.846 438 Q CB -0.093 28.502 28.738 -0.238 0.000 0.909 438 Q HN 0.308 nan 8.270 nan 0.000 0.427 439 Q N -0.762 118.761 119.800 -0.461 0.000 2.488 439 Q HA 0.014 4.354 4.340 -0.000 0.000 0.211 439 Q C 0.961 176.785 176.000 -0.294 0.000 0.967 439 Q CA 0.938 56.470 55.803 -0.451 0.000 0.926 439 Q CB 0.417 28.665 28.738 -0.816 0.000 0.992 439 Q HN 0.747 nan 8.270 nan 0.000 0.506 440 G N 2.283 110.863 108.800 -0.367 0.000 2.168 440 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 440 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 440 G C 0.151 174.861 174.900 -0.316 0.000 0.997 440 G CA 0.902 45.767 45.100 -0.393 0.000 0.708 440 G HN 0.487 nan 8.290 nan 0.000 0.520 441 R N -2.506 117.871 120.500 -0.205 0.000 2.712 441 R HA 0.621 4.961 4.340 -0.000 0.000 0.272 441 R C -0.946 175.492 176.300 0.230 0.000 1.032 441 R CA -1.288 54.861 56.100 0.083 0.000 0.874 441 R CB 0.700 31.083 30.300 0.137 0.000 1.256 441 R HN 0.102 nan 8.270 nan 0.000 0.468 442 Y N 0.570 121.109 120.300 0.397 0.000 2.307 442 Y HA 0.362 4.912 4.550 -0.000 0.000 0.324 442 Y C -1.861 174.047 175.900 0.012 0.000 1.238 442 Y CA -2.162 56.089 58.100 0.253 0.000 1.280 442 Y CB 1.053 39.640 38.460 0.212 0.000 1.248 442 Y HN 0.399 nan 8.280 nan 0.000 0.508 443 P HA 0.049 nan 4.420 nan 0.000 0.264 443 P C 0.347 177.579 177.300 -0.113 0.000 1.193 443 P CA 0.877 63.684 63.100 -0.490 0.000 0.763 443 P CB 0.428 31.733 31.700 -0.658 0.000 0.810 444 G N 2.338 111.078 108.800 -0.101 0.000 2.321 444 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.287 444 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.287 444 G C 0.941 175.809 174.900 -0.054 0.000 1.018 444 G CA 0.307 45.363 45.100 -0.073 0.000 0.855 444 G HN 0.387 nan 8.290 nan 0.000 0.507 445 V N -0.252 119.647 119.914 -0.025 0.000 2.343 445 V HA -0.077 4.042 4.120 -0.000 0.000 0.247 445 V C 1.895 177.962 176.094 -0.045 0.000 1.051 445 V CA 2.238 64.532 62.300 -0.009 0.000 1.036 445 V CB -0.322 31.532 31.823 0.051 0.000 0.654 445 V HN 0.533 nan 8.190 nan 0.000 0.451 446 S N -0.273 115.360 115.700 -0.110 0.000 2.541 446 S HA 0.268 4.738 4.470 -0.000 0.000 0.283 446 S C 0.944 175.445 174.600 -0.164 0.000 1.196 446 S CA -0.460 57.666 58.200 -0.124 0.000 1.062 446 S CB 1.171 64.260 63.200 -0.185 0.000 1.009 446 S HN 0.447 nan 8.310 nan 0.000 0.502 447 N N 0.779 119.455 118.700 -0.041 0.000 2.060 447 N HA -0.261 4.479 4.740 -0.000 0.000 0.195 447 N C 1.654 177.167 175.510 0.005 0.000 1.028 447 N CA 1.987 55.035 53.050 -0.003 0.000 0.861 447 N CB -0.365 38.153 38.487 0.051 0.000 1.029 447 N HN 0.856 nan 8.380 nan 0.000 0.428 448 Y N 0.959 121.277 120.300 0.031 0.000 2.352 448 Y HA -0.032 4.518 4.550 -0.000 0.000 0.292 448 Y C 1.909 177.835 175.900 0.042 0.000 1.136 448 Y CA 0.710 58.830 58.100 0.033 0.000 1.227 448 Y CB -0.603 37.876 38.460 0.030 0.000 0.991 448 Y HN 0.071 nan 8.280 nan 0.000 0.545 449 Q N 0.671 120.077 119.800 -0.656 0.000 2.167 449 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 449 Q C 2.341 178.273 176.000 -0.114 0.000 0.970 449 Q CA 1.494 57.053 55.803 -0.407 0.000 0.855 449 Q CB -0.295 28.175 28.738 -0.446 0.000 0.911 449 Q HN 0.486 nan 8.270 nan 0.000 0.438 450 V N 1.620 121.481 119.914 -0.087 0.000 2.222 450 V HA -0.367 3.752 4.120 -0.000 0.000 0.252 450 V C 2.263 178.365 176.094 0.014 0.000 1.060 450 V CA 2.332 64.617 62.300 -0.026 0.000 1.027 450 V CB -0.833 30.987 31.823 -0.005 0.000 0.644 450 V HN 0.405 nan 8.190 nan 0.000 0.448 451 E N 0.585 120.810 120.200 0.041 0.000 2.063 451 E HA -0.335 4.015 4.350 -0.000 0.000 0.221 451 E C 2.236 178.869 176.600 0.055 0.000 1.052 451 E CA 2.590 59.027 56.400 0.062 0.000 0.891 451 E CB -0.619 29.128 29.700 0.079 0.000 0.792 451 E HN 0.663 nan 8.360 nan 0.000 0.482 452 E N -0.387 119.853 120.200 0.068 0.000 2.033 452 E HA -0.258 4.092 4.350 -0.000 0.000 0.199 452 E C 1.777 178.423 176.600 0.077 0.000 1.011 452 E CA 1.746 58.191 56.400 0.075 0.000 0.815 452 E CB -0.279 29.481 29.700 0.101 0.000 0.755 452 E HN 0.356 nan 8.360 nan 0.000 0.451 453 D N 0.504 120.956 120.400 0.086 0.000 2.228 453 D HA -0.179 4.461 4.640 -0.000 0.000 0.203 453 D C 1.975 178.311 176.300 0.059 0.000 0.988 453 D CA 0.872 54.951 54.000 0.131 0.000 0.864 453 D CB -0.303 40.533 40.800 0.060 0.000 0.928 453 D HN 0.377 nan 8.370 nan 0.000 0.469 454 I N 0.699 121.260 120.570 -0.014 0.000 2.315 454 I HA -0.232 3.937 4.170 -0.000 0.000 0.251 454 I C 2.412 178.488 176.117 -0.068 0.000 1.125 454 I CA 1.393 62.635 61.300 -0.098 0.000 1.392 454 I CB -0.458 37.431 38.000 -0.186 0.000 1.065 454 I HN 0.042 nan 8.210 nan 0.000 0.424 455 G N 0.897 109.694 108.800 -0.006 0.000 2.425 455 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.213 455 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.213 455 G C 1.637 176.571 174.900 0.056 0.000 1.201 455 G CA 0.165 45.271 45.100 0.010 0.000 0.799 455 G HN 0.269 nan 8.290 nan 0.000 0.534 456 K N -0.223 120.244 120.400 0.112 0.000 2.173 456 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 456 K C 2.325 179.086 176.600 0.268 0.000 1.046 456 K CA 1.130 57.516 56.287 0.164 0.000 0.929 456 K CB -0.274 32.366 32.500 0.232 0.000 0.720 456 K HN 0.269 nan 8.250 nan 0.000 0.453 457 L N 1.690 123.077 121.223 0.273 0.000 2.044 457 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 457 L C 2.267 179.184 176.870 0.078 0.000 1.075 457 L CA 1.768 56.729 54.840 0.202 0.000 0.747 457 L CB -0.395 41.643 42.059 -0.034 0.000 0.903 457 L HN -0.009 nan 8.230 nan 0.000 0.435 458 K N -1.052 119.361 120.400 0.022 0.000 2.211 458 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 458 K C 1.931 178.544 176.600 0.022 0.000 1.047 458 K CA 1.460 57.746 56.287 -0.001 0.000 0.935 458 K CB -0.028 32.459 32.500 -0.022 0.000 0.728 458 K HN 0.408 nan 8.250 nan 0.000 0.452 459 S N 0.338 116.062 115.700 0.039 0.000 2.356 459 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 459 S C 2.128 176.753 174.600 0.043 0.000 1.032 459 S CA 1.346 59.565 58.200 0.032 0.000 1.005 459 S CB -0.455 62.759 63.200 0.024 0.000 0.867 459 S HN 0.470 nan 8.310 nan 0.000 0.449 460 C N 1.384 120.724 119.300 0.068 0.000 2.429 460 C HA 0.010 4.469 4.460 -0.000 0.000 0.277 460 C C 2.537 177.579 174.990 0.086 0.000 1.262 460 C CA 0.397 59.461 59.018 0.077 0.000 1.733 460 C CB -1.481 26.328 27.740 0.116 0.000 2.010 460 C HN 0.553 nan 8.230 nan 0.000 0.483 461 L N 1.527 122.782 121.223 0.053 0.000 1.990 461 L HA -0.166 4.174 4.340 -0.000 0.000 0.213 461 L C 2.476 179.419 176.870 0.121 0.000 1.072 461 L CA 2.463 57.338 54.840 0.059 0.000 0.755 461 L CB -1.460 40.595 42.059 -0.008 0.000 0.889 461 L HN 0.273 nan 8.230 nan 0.000 0.432 462 T N -0.276 114.315 114.554 0.062 0.000 2.788 462 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 462 T C 1.699 176.424 174.700 0.041 0.000 1.044 462 T CA 1.246 63.369 62.100 0.039 0.000 1.139 462 T CB -0.971 67.908 68.868 0.018 0.000 0.867 462 T HN 0.636 nan 8.240 nan 0.000 0.454 463 G N 0.817 109.655 108.800 0.062 0.000 2.418 463 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 463 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 463 G C 1.352 176.307 174.900 0.092 0.000 1.158 463 G CA 0.664 45.798 45.100 0.057 0.000 0.771 463 G HN 0.499 nan 8.290 nan 0.000 0.545 464 F N 1.431 121.384 119.950 0.005 0.000 2.075 464 F HA 0.020 4.547 4.527 -0.000 0.000 0.297 464 F C 2.399 178.246 175.800 0.079 0.000 1.113 464 F CA 1.252 59.276 58.000 0.040 0.000 1.218 464 F CB -0.421 38.551 39.000 -0.047 0.000 0.984 464 F HN 0.049 nan 8.300 nan 0.000 0.472 465 L N -0.048 121.029 121.223 -0.244 0.000 2.131 465 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 465 L C 2.552 179.297 176.870 -0.208 0.000 1.092 465 L CA 1.441 56.079 54.840 -0.336 0.000 0.759 465 L CB -0.789 41.205 42.059 -0.108 0.000 0.903 465 L HN 0.322 nan 8.230 nan 0.000 0.435 466 Q N -0.360 119.370 119.800 -0.116 0.000 2.062 466 Q HA -0.211 4.128 4.340 -0.000 0.000 0.196 466 Q C 2.071 178.005 176.000 -0.110 0.000 0.967 466 Q CA 1.020 56.770 55.803 -0.088 0.000 0.832 466 Q CB -0.022 28.683 28.738 -0.054 0.000 0.899 466 Q HN 0.440 nan 8.270 nan 0.000 0.442 467 E N -0.228 119.904 120.200 -0.113 0.000 2.273 467 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 467 E C 0.535 176.921 176.600 -0.356 0.000 1.002 467 E CA 1.057 57.342 56.400 -0.193 0.000 0.828 467 E CB 0.170 29.776 29.700 -0.157 0.000 0.747 467 E HN 0.395 nan 8.360 nan 0.000 0.491 468 Y N -1.371 118.764 120.300 -0.276 0.000 2.481 468 Y HA 0.293 4.843 4.550 -0.000 0.000 0.247 468 Y C 0.997 176.778 175.900 -0.199 0.000 1.151 468 Y CA 0.266 58.213 58.100 -0.255 0.000 1.238 468 Y CB 1.512 39.743 38.460 -0.380 0.000 1.179 468 Y HN 0.076 nan 8.280 nan 0.000 0.524 469 G N 1.656 110.416 108.800 -0.067 0.000 2.333 469 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.296 469 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.296 469 G C -0.522 174.342 174.900 -0.059 0.000 1.059 469 G CA -0.094 44.969 45.100 -0.061 0.000 1.050 469 G HN 0.294 nan 8.290 nan 0.000 0.508 470 L N 1.637 122.803 121.223 -0.095 0.000 2.321 470 L HA 0.398 4.738 4.340 -0.000 0.000 0.272 470 L C 1.118 177.944 176.870 -0.073 0.000 1.050 470 L CA -0.271 54.511 54.840 -0.097 0.000 0.893 470 L CB 1.417 43.375 42.059 -0.168 0.000 1.272 470 L HN 0.395 nan 8.230 nan 0.000 0.435 471 S N 1.982 117.654 115.700 -0.047 0.000 4.051 471 S HA 0.320 4.790 4.470 -0.000 0.000 0.215 471 S C 0.024 174.609 174.600 -0.026 0.000 1.289 471 S CA -0.738 57.442 58.200 -0.033 0.000 0.907 471 S CB -0.606 62.579 63.200 -0.024 0.000 1.603 471 S HN 0.347 nan 8.310 nan 0.000 0.453 472 V N 0.195 120.091 119.914 -0.030 0.000 2.823 472 V HA 0.675 4.795 4.120 -0.000 0.000 0.312 472 V C -0.268 175.819 176.094 -0.012 0.000 1.072 472 V CA -1.310 60.978 62.300 -0.021 0.000 0.937 472 V CB 1.970 33.776 31.823 -0.029 0.000 1.013 472 V HN 0.618 nan 8.190 nan 0.000 0.430 473 M N 4.431 124.029 119.600 -0.003 0.000 2.113 473 M HA 0.572 5.052 4.480 -0.000 0.000 0.352 473 M C -1.487 174.821 176.300 0.014 0.000 1.170 473 M CA -0.216 55.090 55.300 0.009 0.000 1.053 473 M CB 1.047 33.658 32.600 0.017 0.000 1.601 473 M HN 0.688 nan 8.290 nan 0.000 0.459 474 V N 6.968 126.895 119.914 0.021 0.000 2.326 474 V HA 0.306 4.426 4.120 -0.000 0.000 0.281 474 V C 0.192 176.348 176.094 0.103 0.000 1.015 474 V CA -0.960 61.361 62.300 0.036 0.000 0.823 474 V CB 1.312 33.130 31.823 -0.007 0.000 1.009 474 V HN 0.791 nan 8.190 nan 0.000 0.436 475 K N 2.935 123.448 120.400 0.188 0.000 2.561 475 K HA -0.053 4.267 4.320 -0.000 0.000 0.280 475 K C 0.549 177.244 176.600 0.159 0.000 0.975 475 K CA 0.047 56.441 56.287 0.178 0.000 1.024 475 K CB 0.566 33.188 32.500 0.204 0.000 0.883 475 K HN 0.562 nan 8.250 nan 0.000 0.496 476 D N 2.225 122.679 120.400 0.091 0.000 2.263 476 D HA -0.137 4.503 4.640 -0.000 0.000 0.208 476 D C 0.951 177.315 176.300 0.107 0.000 0.971 476 D CA 1.004 55.049 54.000 0.074 0.000 0.867 476 D CB 0.058 40.898 40.800 0.066 0.000 0.929 476 D HN 0.471 nan 8.370 nan 0.000 0.492 477 D N 0.008 120.444 120.400 0.061 0.000 2.133 477 D HA -0.181 4.459 4.640 -0.000 0.000 0.195 477 D C 1.904 178.156 176.300 -0.079 0.000 0.997 477 D CA 0.896 54.876 54.000 -0.034 0.000 0.840 477 D CB -0.308 40.353 40.800 -0.231 0.000 0.947 477 D HN 0.394 nan 8.370 nan 0.000 0.452 478 Y N 0.689 121.028 120.300 0.065 0.000 2.293 478 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 478 Y C 2.549 178.490 175.900 0.069 0.000 1.137 478 Y CA 0.294 58.446 58.100 0.087 0.000 1.202 478 Y CB -0.244 38.244 38.460 0.047 0.000 0.990 478 Y HN -0.157 nan 8.280 nan 0.000 0.537 479 V N -0.671 119.310 119.914 0.111 0.000 2.427 479 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 479 V C 2.179 178.249 176.094 -0.040 0.000 1.051 479 V CA 1.834 64.125 62.300 -0.015 0.000 1.048 479 V CB -0.622 31.143 31.823 -0.096 0.000 0.666 479 V HN 0.489 nan 8.190 nan 0.000 0.456 480 H N 0.093 119.153 119.070 -0.016 0.000 2.256 480 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 480 H C 2.448 177.710 175.328 -0.110 0.000 1.071 480 H CA 2.199 58.213 56.048 -0.057 0.000 1.280 480 H CB -0.158 29.558 29.762 -0.075 0.000 1.370 480 H HN 0.430 nan 8.280 nan 0.000 0.490 481 E N 0.603 120.795 120.200 -0.015 0.000 2.086 481 E HA -0.212 4.137 4.350 -0.000 0.000 0.205 481 E C 2.139 178.330 176.600 -0.681 0.000 1.027 481 E CA 1.519 57.721 56.400 -0.329 0.000 0.830 481 E CB -0.571 28.929 29.700 -0.333 0.000 0.751 481 E HN 0.259 nan 8.360 nan 0.000 0.456 482 F N -0.457 119.180 119.950 -0.522 0.000 2.269 482 F HA -0.164 4.363 4.527 -0.000 0.000 0.301 482 F C 2.486 178.209 175.800 -0.129 0.000 1.082 482 F CA 0.891 58.679 58.000 -0.352 0.000 1.360 482 F CB -0.367 38.586 39.000 -0.078 0.000 1.041 482 F HN 0.208 nan 8.300 nan 0.000 0.512 483 C N -0.847 118.453 119.300 0.000 0.000 2.467 483 C HA -0.067 4.393 4.460 -0.000 0.000 0.279 483 C C 2.886 177.858 174.990 -0.030 0.000 1.347 483 C CA 0.412 59.417 59.018 -0.021 0.000 1.748 483 C CB -0.935 26.778 27.740 -0.045 0.000 1.977 483 C HN 0.415 nan 8.230 nan 0.000 0.501 484 R N -0.074 120.379 120.500 -0.078 0.000 2.081 484 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 484 R C 2.060 178.376 176.300 0.028 0.000 1.131 484 R CA 1.660 57.732 56.100 -0.047 0.000 0.960 484 R CB -0.573 29.675 30.300 -0.086 0.000 0.856 484 R HN 0.657 nan 8.270 nan 0.000 0.436 485 Y N -0.108 120.120 120.300 -0.119 0.000 2.228 485 Y HA -0.197 4.353 4.550 -0.000 0.000 0.285 485 Y C 1.681 177.430 175.900 -0.251 0.000 1.178 485 Y CA 0.133 58.100 58.100 -0.222 0.000 1.202 485 Y CB -0.265 38.007 38.460 -0.315 0.000 0.974 485 Y HN 0.511 nan 8.280 nan 0.000 0.527 486 G N 0.374 109.167 108.800 -0.012 0.000 2.321 486 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.287 486 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.287 486 G C 0.670 175.449 174.900 -0.202 0.000 1.018 486 G CA 0.307 45.365 45.100 -0.070 0.000 0.855 486 G HN 1.137 nan 8.290 nan 0.000 0.507 487 A N -3.171 119.367 122.820 -0.471 0.000 2.798 487 A HA 0.155 4.474 4.320 -0.000 0.000 0.282 487 A C 1.666 178.849 177.584 -0.669 0.000 1.464 487 A CA 1.907 53.340 52.037 -1.008 0.000 0.844 487 A CB -1.694 16.996 19.000 -0.517 0.000 1.006 487 A HN 2.595 nan 8.150 nan 0.000 0.577 488 A N -0.333 122.193 122.820 -0.491 0.000 2.445 488 A HA 0.496 4.816 4.320 -0.000 0.000 0.242 488 A C 0.593 177.979 177.584 -0.330 0.000 1.075 488 A CA 0.656 52.501 52.037 -0.320 0.000 0.777 488 A CB 0.202 19.065 19.000 -0.228 0.000 1.013 488 A HN 0.912 nan 8.150 nan 0.000 0.493 489 E N 2.186 122.265 120.200 -0.203 0.000 2.731 489 E HA 0.309 4.659 4.350 -0.000 0.000 0.220 489 E C -2.511 174.034 176.600 -0.092 0.000 1.087 489 E CA -1.896 54.416 56.400 -0.147 0.000 1.020 489 E CB 0.118 29.764 29.700 -0.091 0.000 1.339 489 E HN 0.377 nan 8.360 nan 0.000 0.444 490 P HA -0.040 nan 4.420 nan 0.000 0.263 490 P C 0.028 177.327 177.300 -0.002 0.000 1.195 490 P CA 0.297 63.360 63.100 -0.062 0.000 0.762 490 P CB 0.609 32.240 31.700 -0.114 0.000 0.799 491 H N 3.191 122.242 119.070 -0.032 0.000 2.319 491 H HA -0.190 4.366 4.556 -0.000 0.000 0.297 491 H C 1.682 177.015 175.328 0.008 0.000 1.097 491 H CA 2.887 58.931 56.048 -0.007 0.000 1.285 491 H CB -0.304 29.454 29.762 -0.007 0.000 1.368 491 H HN 0.420 nan 8.280 nan 0.000 0.495 492 T N -1.120 113.484 114.554 0.084 0.000 2.849 492 T HA -0.142 4.208 4.350 -0.000 0.000 0.270 492 T C 2.007 176.736 174.700 0.048 0.000 1.066 492 T CA 1.375 63.509 62.100 0.056 0.000 1.130 492 T CB -0.216 68.695 68.868 0.073 0.000 0.864 492 T HN 0.208 nan 8.240 nan 0.000 0.481 493 I N 2.223 122.810 120.570 0.028 0.000 2.277 493 I HA 0.109 4.279 4.170 -0.000 0.000 0.243 493 I C 3.156 179.315 176.117 0.070 0.000 1.094 493 I CA 0.975 62.325 61.300 0.083 0.000 1.393 493 I CB -1.785 36.209 38.000 -0.010 0.000 1.078 493 I HN 0.339 nan 8.210 nan 0.000 0.417 494 A N 1.081 123.878 122.820 -0.038 0.000 1.940 494 A HA -0.164 4.155 4.320 -0.000 0.000 0.219 494 A C 2.543 180.062 177.584 -0.108 0.000 1.176 494 A CA 2.138 54.133 52.037 -0.070 0.000 0.631 494 A CB -0.771 18.153 19.000 -0.127 0.000 0.814 494 A HN 0.422 nan 8.150 nan 0.000 0.446 495 A N -1.260 121.433 122.820 -0.211 0.000 1.930 495 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 495 A C 2.048 179.587 177.584 -0.075 0.000 1.175 495 A CA 1.479 53.400 52.037 -0.193 0.000 0.627 495 A CB -0.689 18.176 19.000 -0.225 0.000 0.815 495 A HN 0.700 nan 8.150 nan 0.000 0.443 496 F N 0.013 119.869 119.950 -0.156 0.000 2.046 496 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 496 F C 1.909 177.592 175.800 -0.195 0.000 1.123 496 F CA 1.915 59.787 58.000 -0.214 0.000 1.199 496 F CB -0.293 38.503 39.000 -0.340 0.000 0.972 496 F HN 0.185 nan 8.300 nan 0.000 0.474 497 L N 1.050 122.414 121.223 0.236 0.000 2.042 497 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 497 L C 2.653 179.499 176.870 -0.040 0.000 1.076 497 L CA 2.112 57.040 54.840 0.148 0.000 0.749 497 L CB -1.615 40.544 42.059 0.167 0.000 0.893 497 L HN 0.325 nan 8.230 nan 0.000 0.432 498 G N -1.484 107.277 108.800 -0.065 0.000 2.440 498 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 498 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 498 G C 1.541 176.353 174.900 -0.147 0.000 1.154 498 G CA 0.752 45.794 45.100 -0.097 0.000 0.767 498 G HN 0.570 nan 8.290 nan 0.000 0.552 499 G N 0.877 109.548 108.800 -0.215 0.000 2.394 499 G HA2 0.116 4.076 3.960 -0.000 0.000 0.214 499 G HA3 0.116 4.076 3.960 -0.000 0.000 0.214 499 G C 2.060 176.778 174.900 -0.303 0.000 1.176 499 G CA 1.459 46.402 45.100 -0.261 0.000 0.786 499 G HN 0.632 nan 8.290 nan 0.000 0.533 500 A N 1.222 123.805 122.820 -0.395 0.000 1.873 500 A HA 0.300 4.620 4.320 -0.000 0.000 0.215 500 A C 2.815 180.224 177.584 -0.292 0.000 1.186 500 A CA 2.228 54.021 52.037 -0.406 0.000 0.616 500 A CB -0.836 17.874 19.000 -0.483 0.000 0.823 500 A HN 0.756 nan 8.150 nan 0.000 0.442 501 A N -0.044 122.653 122.820 -0.204 0.000 1.902 501 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 501 A C 2.518 180.033 177.584 -0.115 0.000 1.181 501 A CA 2.201 54.161 52.037 -0.128 0.000 0.623 501 A CB -1.080 17.880 19.000 -0.067 0.000 0.818 501 A HN 1.090 nan 8.150 nan 0.000 0.443 502 A N -1.057 121.685 122.820 -0.130 0.000 1.908 502 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 502 A C 2.160 179.667 177.584 -0.129 0.000 1.181 502 A CA 2.233 54.199 52.037 -0.119 0.000 0.627 502 A CB -0.510 18.420 19.000 -0.117 0.000 0.818 502 A HN 0.523 nan 8.150 nan 0.000 0.445 503 Q N -0.292 119.415 119.800 -0.155 0.000 2.167 503 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 503 Q C 1.805 177.715 176.000 -0.150 0.000 0.970 503 Q CA 1.776 57.478 55.803 -0.167 0.000 0.855 503 Q CB -0.234 28.379 28.738 -0.209 0.000 0.911 503 Q HN 0.625 nan 8.270 nan 0.000 0.438 504 E N -0.550 119.577 120.200 -0.123 0.000 2.072 504 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 504 E C 2.091 178.657 176.600 -0.057 0.000 0.985 504 E CA 1.135 57.507 56.400 -0.047 0.000 0.801 504 E CB -0.447 29.285 29.700 0.054 0.000 0.750 504 E HN 0.238 nan 8.360 nan 0.000 0.452 505 V N 1.749 121.622 119.914 -0.070 0.000 2.287 505 V HA -0.243 3.876 4.120 -0.000 0.000 0.248 505 V C 2.421 178.453 176.094 -0.104 0.000 1.053 505 V CA 1.482 63.737 62.300 -0.075 0.000 1.027 505 V CB -0.443 31.338 31.823 -0.070 0.000 0.646 505 V HN 0.216 nan 8.190 nan 0.000 0.447 506 I N -0.612 119.870 120.570 -0.146 0.000 2.361 506 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 506 I C 2.494 178.514 176.117 -0.162 0.000 1.133 506 I CA 1.534 62.695 61.300 -0.233 0.000 1.413 506 I CB -0.393 37.399 38.000 -0.346 0.000 1.073 506 I HN 0.310 nan 8.210 nan 0.000 0.424 507 K N 0.858 121.215 120.400 -0.071 0.000 2.025 507 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 507 K C 2.078 178.714 176.600 0.060 0.000 1.049 507 K CA 1.326 57.652 56.287 0.066 0.000 0.933 507 K CB -0.122 32.424 32.500 0.077 0.000 0.714 507 K HN 0.260 nan 8.250 nan 0.000 0.438 508 I N 1.065 121.605 120.570 -0.050 0.000 2.163 508 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 508 I C 2.281 178.433 176.117 0.057 0.000 1.085 508 I CA 1.417 62.685 61.300 -0.054 0.000 1.347 508 I CB -0.380 37.547 38.000 -0.121 0.000 1.044 508 I HN 0.120 nan 8.210 nan 0.000 0.408 509 I N 0.673 121.231 120.570 -0.020 0.000 2.142 509 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 509 I C 2.756 178.847 176.117 -0.042 0.000 1.078 509 I CA 2.162 63.440 61.300 -0.037 0.000 1.343 509 I CB -0.684 37.260 38.000 -0.094 0.000 1.046 509 I HN 0.378 nan 8.210 nan 0.000 0.405 510 T N -2.333 112.171 114.554 -0.084 0.000 3.023 510 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 510 T C 1.059 175.766 174.700 0.013 0.000 1.093 510 T CA 0.321 62.375 62.100 -0.077 0.000 1.129 510 T CB -0.209 68.566 68.868 -0.154 0.000 0.899 510 T HN 0.295 nan 8.240 nan 0.000 0.491 511 K N 0.413 120.862 120.400 0.082 0.000 3.129 511 K HA -0.213 4.107 4.320 -0.000 0.000 0.273 511 K C 0.860 177.492 176.600 0.054 0.000 1.123 511 K CA 0.858 57.192 56.287 0.078 0.000 0.800 511 K CB -1.389 31.076 32.500 -0.057 0.000 1.238 511 K HN 0.538 nan 8.250 nan 0.000 0.492 512 Q N -0.907 118.966 119.800 0.123 0.000 2.282 512 Q HA 0.176 4.516 4.340 -0.000 0.000 0.206 512 Q C -0.171 175.732 176.000 -0.161 0.000 0.878 512 Q CA 0.404 56.218 55.803 0.018 0.000 0.944 512 Q CB 0.449 29.219 28.738 0.053 0.000 1.100 512 Q HN 0.197 nan 8.270 nan 0.000 0.509 513 F N -1.521 118.519 119.950 0.150 0.000 2.894 513 F HA 0.367 4.894 4.527 -0.000 0.000 0.332 513 F C -0.383 175.479 175.800 0.103 0.000 1.192 513 F CA -1.218 56.866 58.000 0.139 0.000 0.980 513 F CB 0.787 39.845 39.000 0.097 0.000 1.448 513 F HN -0.483 nan 8.300 nan 0.000 0.514 514 V N 3.206 123.295 119.914 0.291 0.000 2.370 514 V HA 0.362 4.482 4.120 -0.000 0.000 0.279 514 V C 0.094 176.277 176.094 0.148 0.000 1.029 514 V CA -0.825 61.582 62.300 0.179 0.000 0.870 514 V CB 0.759 32.658 31.823 0.127 0.000 0.984 514 V HN 0.566 nan 8.190 nan 0.000 0.451 515 I N 2.656 123.288 120.570 0.103 0.000 2.720 515 I HA 0.501 4.671 4.170 -0.000 0.000 0.287 515 I C 0.465 176.645 176.117 0.105 0.000 1.090 515 I CA -0.469 60.872 61.300 0.069 0.000 1.384 515 I CB 0.555 38.490 38.000 -0.108 0.000 1.420 515 I HN 0.648 nan 8.210 nan 0.000 0.575 516 F N 2.831 122.736 119.950 -0.075 0.000 2.535 516 F HA 0.203 4.730 4.527 -0.000 0.000 0.332 516 F C 1.069 176.856 175.800 -0.021 0.000 1.208 516 F CA -0.284 57.684 58.000 -0.053 0.000 1.330 516 F CB 0.045 38.996 39.000 -0.082 0.000 1.167 516 F HN 0.667 nan 8.300 nan 0.000 0.597 517 N N -0.013 118.659 118.700 -0.046 0.000 2.290 517 N HA -0.054 4.686 4.740 -0.000 0.000 0.179 517 N C -0.335 175.010 175.510 -0.275 0.000 1.016 517 N CA 0.519 53.469 53.050 -0.166 0.000 0.871 517 N CB 0.148 38.618 38.487 -0.027 0.000 0.987 517 N HN 0.736 nan 8.380 nan 0.000 0.431 518 N N -1.271 117.318 118.700 -0.185 0.000 3.127 518 N HA 0.002 4.742 4.740 -0.000 0.000 0.239 518 N C -1.714 173.875 175.510 0.131 0.000 1.407 518 N CA -0.119 52.860 53.050 -0.118 0.000 0.891 518 N CB 0.936 39.418 38.487 -0.008 0.000 1.447 518 N HN -0.025 nan 8.380 nan 0.000 0.507 519 T N 1.909 116.566 114.554 0.171 0.000 1.249 519 T HA -0.231 4.119 4.350 -0.000 0.000 0.686 519 T C -0.786 174.163 174.700 0.415 0.000 0.997 519 T CA 1.003 63.247 62.100 0.240 0.000 3.518 519 T CB -1.062 67.876 68.868 0.116 0.000 1.967 519 T HN 0.389 nan 8.240 nan 0.000 0.389 520 Y N 4.359 124.773 120.300 0.190 0.000 2.341 520 Y HA 0.655 5.205 4.550 -0.000 0.000 0.338 520 Y C -0.527 175.423 175.900 0.082 0.000 0.965 520 Y CA -1.759 56.366 58.100 0.043 0.000 1.108 520 Y CB 1.029 39.260 38.460 -0.382 0.000 1.180 520 Y HN 0.620 nan 8.280 nan 0.000 0.458 521 I N 7.629 127.956 120.570 -0.405 0.000 2.436 521 I HA 0.220 4.390 4.170 -0.000 0.000 0.289 521 I C -1.552 174.339 176.117 -0.377 0.000 1.010 521 I CA -1.079 60.096 61.300 -0.207 0.000 1.098 521 I CB 1.594 39.674 38.000 0.134 0.000 1.266 521 I HN 0.598 nan 8.210 nan 0.000 0.434 522 Y N 5.984 126.054 120.300 -0.383 0.000 2.352 522 Y HA 0.522 5.072 4.550 -0.000 0.000 0.339 522 Y C -0.405 175.353 175.900 -0.237 0.000 0.992 522 Y CA -0.830 57.041 58.100 -0.382 0.000 1.100 522 Y CB 1.924 40.094 38.460 -0.484 0.000 1.192 522 Y HN 0.467 nan 8.280 nan 0.000 0.458 523 S N 4.094 119.318 115.700 -0.793 0.000 2.566 523 S HA 0.412 4.882 4.470 -0.000 0.000 0.324 523 S C 0.866 174.852 174.600 -1.024 0.000 1.081 523 S CA -0.006 57.784 58.200 -0.683 0.000 1.105 523 S CB 0.344 63.392 63.200 -0.253 0.000 0.981 523 S HN 1.107 nan 8.310 nan 0.000 0.464 524 G N 4.336 112.499 108.800 -1.061 0.000 2.484 524 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.218 524 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.218 524 G C 1.229 175.945 174.900 -0.307 0.000 1.130 524 G CA 0.462 45.150 45.100 -0.687 0.000 0.784 524 G HN 0.683 nan 8.290 nan 0.000 0.543 525 M N 1.531 120.984 119.600 -0.245 0.000 2.065 525 M HA -0.110 4.370 4.480 -0.000 0.000 0.259 525 M C 2.800 179.052 176.300 -0.081 0.000 1.071 525 M CA 2.090 57.325 55.300 -0.108 0.000 1.109 525 M CB -0.175 32.401 32.600 -0.040 0.000 1.313 525 M HN 0.353 nan 8.290 nan 0.000 0.408 526 S N -1.714 113.935 115.700 -0.086 0.000 2.548 526 S HA 0.064 4.534 4.470 -0.000 0.000 0.215 526 S C 0.574 175.152 174.600 -0.037 0.000 0.976 526 S CA -0.218 57.958 58.200 -0.040 0.000 0.908 526 S CB 0.229 63.423 63.200 -0.010 0.000 0.781 526 S HN 0.451 nan 8.310 nan 0.000 0.519 527 Q N 1.579 121.328 119.800 -0.085 0.000 2.463 527 Q HA -0.130 4.210 4.340 -0.000 0.000 0.299 527 Q C 0.006 176.045 176.000 0.065 0.000 1.353 527 Q CA 1.413 57.223 55.803 0.013 0.000 0.828 527 Q CB -2.608 26.164 28.738 0.057 0.000 1.157 527 Q HN 0.970 nan 8.270 nan 0.000 0.436 528 T N -3.420 111.141 114.554 0.012 0.000 2.865 528 T HA 0.878 5.228 4.350 -0.000 0.000 0.294 528 T C -0.083 174.655 174.700 0.063 0.000 1.119 528 T CA -0.041 62.093 62.100 0.058 0.000 1.007 528 T CB 2.752 71.638 68.868 0.030 0.000 1.225 528 T HN 0.484 nan 8.240 nan 0.000 0.515 529 S N -0.578 115.164 115.700 0.070 0.000 2.587 529 S HA 0.878 5.348 4.470 -0.000 0.000 0.269 529 S C -1.239 173.340 174.600 -0.035 0.000 1.154 529 S CA -0.562 57.629 58.200 -0.014 0.000 0.824 529 S CB 1.214 64.438 63.200 0.040 0.000 1.118 529 S HN 2.019 nan 8.310 nan 0.000 0.462 530 A N 0.779 123.504 122.820 -0.158 0.000 2.594 530 A HA 0.847 5.167 4.320 -0.000 0.000 0.295 530 A C -0.666 176.766 177.584 -0.254 0.000 1.071 530 A CA -0.794 51.116 52.037 -0.211 0.000 0.685 530 A CB 1.442 20.223 19.000 -0.365 0.000 1.285 530 A HN 0.976 nan 8.150 nan 0.000 0.405 531 T N 1.284 115.678 114.554 -0.266 0.000 2.824 531 T HA 0.710 5.060 4.350 -0.000 0.000 0.280 531 T C -0.872 173.591 174.700 -0.394 0.000 0.995 531 T CA 0.157 62.224 62.100 -0.054 0.000 1.009 531 T CB 0.322 69.278 68.868 0.146 0.000 0.955 531 T HN 0.356 nan 8.240 nan 0.000 0.452 532 F N 0.601 120.604 119.950 0.089 0.000 2.618 532 F HA 0.539 5.066 4.527 -0.000 0.000 0.332 532 F C 0.393 176.197 175.800 0.007 0.000 1.061 532 F CA -1.051 56.959 58.000 0.017 0.000 0.974 532 F CB 1.225 40.190 39.000 -0.059 0.000 1.310 532 F HN 0.483 nan 8.300 nan 0.000 0.491 533 Q N 2.554 122.482 119.800 0.213 0.000 3.072 533 Q HA -0.132 4.208 4.340 -0.000 0.000 0.063 533 Q C -0.999 175.045 176.000 0.073 0.000 1.624 533 Q CA 0.492 56.357 55.803 0.103 0.000 0.332 533 Q CB -0.450 28.324 28.738 0.059 0.000 0.594 533 Q HN 0.689 nan 8.270 nan 0.000 0.321 534 L N 0.000 121.258 121.223 0.059 0.000 2.949 534 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 534 L CA 0.000 54.868 54.840 0.046 0.000 0.813 534 L CB 0.000 42.082 42.059 0.038 0.000 0.961 534 L HN 0.000 nan 8.230 nan 0.000 0.502