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 1hjk_1_A DATA FIRST_RESID 1 DATA SEQUENCE TPEMPVLENR AAQGDITAPG GARRLTGDQT AALRDSLSDK PAKNIILLIG DATA SEQUENCE DGMGDSEITA ARNYAEGAGG FFKGIDALPL TGQYTHYALN KKTGKPDYVT DATA SEQUENCE DXAASATAWS TGVKTYNGAL GVDIHEKDHP TILEMAKAAG LATGNVSTAE DATA SEQUENCE LQDATPAALV AHVTSRKcYG PSATSEKcPG NALEKGGKGS ITEQLLNARA DATA SEQUENCE DVTLGGGAKT FAETATAGEW QGKTLREQAQ ARGYQLVSDA ASLNSVTEAN DATA SEQUENCE QQKPLLGLFA DGNMPVRWLG PKATYHGNID KPAVTcTPNP QRNDSVPTLA DATA SEQUENCE QMTDKAIELL SKNEKGFFLQ VEGASIDKQD QAANPcGQIG ETVDLDEAVQ DATA SEQUENCE RALEFAKKEG NTLVIVTADH AHASQIVAPD TKAPGLTQAL NTKDGAVMVM DATA SEQUENCE SYGNSEEDSQ EHTGSQLRIA AYGPHAANVV GLTDQTDLFY TMKAALGLK 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.693 174.700 -0.012 0.000 1.109 1 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 1 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 2 P HA 0.316 nan 4.420 nan 0.000 0.263 2 P C -0.600 176.688 177.300 -0.021 0.000 1.345 2 P CA -0.018 63.069 63.100 -0.021 0.000 1.119 2 P CB 0.232 31.914 31.700 -0.030 0.000 1.363 3 E N 2.629 122.824 120.200 -0.010 0.000 2.222 3 E HA 0.376 4.726 4.350 -0.000 0.000 0.267 3 E C -0.840 175.770 176.600 0.016 0.000 0.884 3 E CA -0.797 55.604 56.400 0.001 0.000 0.764 3 E CB 1.092 30.798 29.700 0.010 0.000 1.169 3 E HN 0.270 nan 8.360 nan 0.000 0.413 4 M N 5.737 125.355 119.600 0.030 0.000 2.144 4 M HA 0.333 4.813 4.480 -0.000 0.000 0.356 4 M C -2.137 174.287 176.300 0.206 0.000 1.217 4 M CA -1.677 53.661 55.300 0.065 0.000 1.087 4 M CB 1.270 33.828 32.600 -0.069 0.000 1.609 4 M HN 0.291 nan 8.290 nan 0.000 0.467 5 P HA 0.418 nan 4.420 nan 0.000 0.285 5 P C -1.299 176.103 177.300 0.170 0.000 1.269 5 P CA -0.582 62.603 63.100 0.143 0.000 0.844 5 P CB 1.186 32.930 31.700 0.073 0.000 1.094 6 V N 1.171 121.092 119.914 0.012 0.000 2.435 6 V HA 0.270 4.390 4.120 -0.000 0.000 0.290 6 V C 0.770 176.875 176.094 0.019 0.000 1.030 6 V CA -1.126 61.130 62.300 -0.075 0.000 0.881 6 V CB 0.915 32.616 31.823 -0.203 0.000 0.983 6 V HN 0.366 nan 8.190 nan 0.000 0.445 7 L N 3.116 124.380 121.223 0.067 0.000 2.745 7 L HA -0.012 4.328 4.340 -0.000 0.000 0.273 7 L C 1.501 178.437 176.870 0.110 0.000 1.156 7 L CA 0.280 55.169 54.840 0.082 0.000 0.982 7 L CB -0.287 41.851 42.059 0.131 0.000 1.295 7 L HN 0.790 nan 8.230 nan 0.000 0.483 8 E N 1.988 122.204 120.200 0.026 0.000 2.072 8 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 8 E C 0.530 177.128 176.600 -0.004 0.000 0.985 8 E CA 1.036 57.458 56.400 0.036 0.000 0.801 8 E CB 0.221 29.918 29.700 -0.006 0.000 0.750 8 E HN 0.525 nan 8.360 nan 0.000 0.452 9 N N -0.473 118.073 118.700 -0.256 0.000 2.655 9 N HA 0.100 4.839 4.740 -0.000 0.000 0.277 9 N C -1.423 173.606 175.510 -0.802 0.000 1.177 9 N CA -0.216 52.487 53.050 -0.578 0.000 0.882 9 N CB 0.761 39.100 38.487 -0.245 0.000 1.481 9 N HN -0.133 nan 8.380 nan 0.000 0.547 10 R N 1.336 120.849 120.500 -1.645 0.000 2.865 10 R HA 0.391 4.730 4.340 -0.000 0.000 0.370 10 R C -0.183 175.778 176.300 -0.565 0.000 1.168 10 R CA -0.345 55.235 56.100 -0.866 0.000 1.058 10 R CB 0.316 30.295 30.300 -0.534 0.000 1.419 10 R HN 0.498 nan 8.270 nan 0.000 0.580 11 A N 0.488 123.045 122.820 -0.438 0.000 2.302 11 A HA 0.693 5.013 4.320 -0.000 0.000 0.285 11 A C 0.168 177.697 177.584 -0.091 0.000 1.105 11 A CA -0.452 51.515 52.037 -0.118 0.000 0.816 11 A CB 0.633 19.605 19.000 -0.047 0.000 1.067 11 A HN 0.394 nan 8.150 nan 0.000 0.489 12 A N 1.051 123.847 122.820 -0.040 0.000 2.545 12 A HA 0.246 4.565 4.320 -0.000 0.000 0.253 12 A C 1.053 178.611 177.584 -0.043 0.000 1.074 12 A CA -0.112 51.903 52.037 -0.037 0.000 0.760 12 A CB 0.034 19.021 19.000 -0.022 0.000 1.005 12 A HN 0.813 nan 8.150 nan 0.000 0.506 13 Q N 1.923 121.694 119.800 -0.048 0.000 2.124 13 Q HA -0.056 4.283 4.340 -0.000 0.000 0.202 13 Q C 1.249 177.230 176.000 -0.033 0.000 0.977 13 Q CA 1.870 57.646 55.803 -0.045 0.000 0.850 13 Q CB -0.156 28.555 28.738 -0.046 0.000 0.901 13 Q HN 0.944 nan 8.270 nan 0.000 0.429 14 G N -0.567 108.217 108.800 -0.027 0.000 3.354 14 G HA2 0.041 4.001 3.960 -0.000 0.000 0.174 14 G HA3 0.041 4.001 3.960 -0.000 0.000 0.174 14 G C -1.314 173.574 174.900 -0.019 0.000 1.140 14 G CA -0.375 44.712 45.100 -0.022 0.000 0.897 14 G HN 0.090 nan 8.290 nan 0.000 0.685 15 D N 1.809 122.199 120.400 -0.017 0.000 2.374 15 D HA 0.089 4.728 4.640 -0.000 0.000 0.240 15 D C 2.014 178.305 176.300 -0.015 0.000 1.229 15 D CA -0.360 53.631 54.000 -0.016 0.000 0.895 15 D CB 0.702 41.493 40.800 -0.014 0.000 1.046 15 D HN 0.387 nan 8.370 nan 0.000 0.498 16 I N 1.721 122.282 120.570 -0.016 0.000 2.530 16 I HA -0.216 3.954 4.170 -0.000 0.000 0.257 16 I C 1.782 177.892 176.117 -0.012 0.000 1.179 16 I CA 1.379 62.670 61.300 -0.014 0.000 1.440 16 I CB -0.563 37.428 38.000 -0.015 0.000 1.087 16 I HN 0.265 nan 8.210 nan 0.000 0.440 17 T N -1.232 113.314 114.554 -0.012 0.000 3.100 17 T HA 0.492 4.842 4.350 -0.000 0.000 0.253 17 T C 0.762 175.456 174.700 -0.010 0.000 1.118 17 T CA 0.155 62.248 62.100 -0.011 0.000 1.058 17 T CB -0.172 68.690 68.868 -0.011 0.000 0.953 17 T HN 0.456 nan 8.240 nan 0.000 0.515 18 A N 1.897 124.711 122.820 -0.011 0.000 2.320 18 A HA 0.745 5.065 4.320 -0.000 0.000 0.334 18 A C -2.729 174.849 177.584 -0.010 0.000 1.147 18 A CA -2.233 49.798 52.037 -0.010 0.000 0.820 18 A CB 0.468 19.461 19.000 -0.011 0.000 1.218 18 A HN 0.219 nan 8.150 nan 0.000 0.482 19 P HA 0.178 nan 4.420 nan 0.000 0.260 19 P C 1.050 178.344 177.300 -0.011 0.000 1.172 19 P CA 2.163 65.258 63.100 -0.009 0.000 0.760 19 P CB 0.386 32.081 31.700 -0.008 0.000 0.773 20 G N 3.258 112.052 108.800 -0.011 0.000 2.205 20 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.269 20 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.269 20 G C 1.248 176.138 174.900 -0.016 0.000 0.977 20 G CA 0.457 45.549 45.100 -0.013 0.000 0.652 20 G HN 0.742 nan 8.290 nan 0.000 0.539 21 G N -0.170 108.621 108.800 -0.015 0.000 2.534 21 G HA2 0.337 4.297 3.960 -0.000 0.000 0.217 21 G HA3 0.337 4.297 3.960 -0.000 0.000 0.217 21 G C 1.503 176.391 174.900 -0.019 0.000 1.128 21 G CA 1.619 46.708 45.100 -0.017 0.000 0.784 21 G HN 1.518 nan 8.290 nan 0.000 0.542 22 A N -0.021 122.789 122.820 -0.017 0.000 2.308 22 A HA 0.415 4.735 4.320 -0.000 0.000 0.217 22 A C 1.293 178.865 177.584 -0.020 0.000 1.216 22 A CA -0.470 51.557 52.037 -0.017 0.000 0.864 22 A CB 0.036 19.029 19.000 -0.012 0.000 0.902 22 A HN 0.293 nan 8.150 nan 0.000 0.499 23 R N -0.226 120.261 120.500 -0.022 0.000 2.734 23 R HA 0.211 4.551 4.340 -0.000 0.000 0.266 23 R C 0.636 176.912 176.300 -0.039 0.000 1.044 23 R CA 0.157 56.242 56.100 -0.026 0.000 1.128 23 R CB 0.372 30.656 30.300 -0.027 0.000 1.010 23 R HN 0.334 nan 8.270 nan 0.000 0.461 24 R N 1.239 121.712 120.500 -0.045 0.000 2.344 24 R HA 0.208 4.547 4.340 -0.000 0.000 0.209 24 R C 0.004 176.250 176.300 -0.089 0.000 0.886 24 R CA 0.129 56.184 56.100 -0.074 0.000 1.040 24 R CB 0.384 30.646 30.300 -0.064 0.000 1.114 24 R HN 0.363 nan 8.270 nan 0.000 0.547 25 L N -0.165 121.022 121.223 -0.060 0.000 2.334 25 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 25 L C 1.270 178.111 176.870 -0.049 0.000 1.020 25 L CA -0.441 54.365 54.840 -0.057 0.000 0.812 25 L CB 1.851 43.887 42.059 -0.038 0.000 1.264 25 L HN -0.021 nan 8.230 nan 0.000 0.439 26 T N -3.062 111.464 114.554 -0.048 0.000 3.010 26 T HA 0.495 4.844 4.350 -0.000 0.000 0.257 26 T C 0.460 175.143 174.700 -0.029 0.000 1.020 26 T CA 0.220 62.296 62.100 -0.039 0.000 0.938 26 T CB 0.522 69.365 68.868 -0.043 0.000 1.049 26 T HN 0.815 nan 8.240 nan 0.000 0.522 27 G N 0.399 109.184 108.800 -0.026 0.000 2.488 27 G HA2 0.379 4.339 3.960 -0.000 0.000 0.301 27 G HA3 0.379 4.339 3.960 -0.000 0.000 0.301 27 G C -2.156 172.735 174.900 -0.016 0.000 1.339 27 G CA -0.614 44.475 45.100 -0.019 0.000 0.803 27 G HN 0.177 nan 8.290 nan 0.000 0.482 28 D N -0.006 120.387 120.400 -0.011 0.000 2.390 28 D HA 0.096 4.736 4.640 -0.000 0.000 0.249 28 D C 0.633 176.929 176.300 -0.007 0.000 1.144 28 D CA -0.143 53.852 54.000 -0.008 0.000 0.880 28 D CB 1.337 42.134 40.800 -0.006 0.000 1.182 28 D HN 0.213 nan 8.370 nan 0.000 0.451 29 Q N 2.305 122.102 119.800 -0.004 0.000 2.245 29 Q HA -0.059 4.281 4.340 -0.000 0.000 0.201 29 Q C 1.957 177.958 176.000 0.002 0.000 0.955 29 Q CA 0.698 56.501 55.803 -0.001 0.000 0.870 29 Q CB -0.515 28.224 28.738 0.002 0.000 0.945 29 Q HN 0.630 nan 8.270 nan 0.000 0.461 30 T N 1.615 116.170 114.554 0.002 0.000 2.653 30 T HA -0.286 4.064 4.350 -0.000 0.000 0.267 30 T C 1.787 176.488 174.700 0.002 0.000 1.037 30 T CA 2.139 64.240 62.100 0.002 0.000 1.159 30 T CB -0.275 68.594 68.868 0.001 0.000 0.859 30 T HN 0.468 nan 8.240 nan 0.000 0.449 31 A N 1.148 123.968 122.820 0.001 0.000 1.872 31 A HA 0.322 4.642 4.320 -0.000 0.000 0.214 31 A C 2.706 180.291 177.584 0.003 0.000 1.187 31 A CA 1.703 53.740 52.037 0.000 0.000 0.614 31 A CB -1.177 17.822 19.000 -0.001 0.000 0.826 31 A HN 0.531 nan 8.150 nan 0.000 0.442 32 A N -0.377 122.446 122.820 0.005 0.000 1.873 32 A HA -0.140 4.179 4.320 -0.000 0.000 0.218 32 A C 2.141 179.735 177.584 0.015 0.000 1.193 32 A CA 1.920 53.964 52.037 0.012 0.000 0.629 32 A CB -0.741 18.267 19.000 0.013 0.000 0.826 32 A HN 0.516 nan 8.150 nan 0.000 0.447 33 L N -0.542 120.689 121.223 0.013 0.000 2.017 33 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 33 L C 2.580 179.452 176.870 0.004 0.000 1.073 33 L CA 1.934 56.782 54.840 0.013 0.000 0.745 33 L CB -0.555 41.512 42.059 0.013 0.000 0.894 33 L HN 0.357 nan 8.230 nan 0.000 0.432 34 R N -0.617 119.884 120.500 0.001 0.000 2.103 34 R HA -0.200 4.140 4.340 -0.000 0.000 0.242 34 R C 1.682 177.975 176.300 -0.011 0.000 1.142 34 R CA 1.673 57.769 56.100 -0.005 0.000 0.960 34 R CB -0.402 29.895 30.300 -0.005 0.000 0.858 34 R HN 0.399 nan 8.270 nan 0.000 0.439 35 D N -0.484 119.913 120.400 -0.006 0.000 2.350 35 D HA -0.061 4.579 4.640 -0.000 0.000 0.216 35 D C 0.934 177.224 176.300 -0.016 0.000 0.968 35 D CA 0.999 54.993 54.000 -0.009 0.000 0.894 35 D CB 0.126 40.927 40.800 0.002 0.000 0.909 35 D HN 0.235 nan 8.370 nan 0.000 0.520 36 S N -0.767 114.924 115.700 -0.015 0.000 2.575 36 S HA 0.230 4.700 4.470 -0.000 0.000 0.237 36 S C 0.606 175.164 174.600 -0.070 0.000 0.975 36 S CA -0.443 57.736 58.200 -0.034 0.000 0.960 36 S CB 0.286 63.494 63.200 0.013 0.000 0.822 36 S HN 0.042 nan 8.310 nan 0.000 0.472 37 L N 2.199 123.385 121.223 -0.061 0.000 2.265 37 L HA 0.664 5.004 4.340 -0.000 0.000 0.289 37 L C -0.114 176.698 176.870 -0.096 0.000 1.033 37 L CA -0.267 54.532 54.840 -0.069 0.000 0.814 37 L CB 1.557 43.592 42.059 -0.041 0.000 1.203 37 L HN 0.205 nan 8.230 nan 0.000 0.423 38 S N 0.909 116.524 115.700 -0.142 0.000 2.546 38 S HA 0.331 4.801 4.470 -0.000 0.000 0.272 38 S C -0.384 174.034 174.600 -0.302 0.000 1.140 38 S CA -0.762 57.329 58.200 -0.182 0.000 0.920 38 S CB 1.402 64.490 63.200 -0.187 0.000 1.083 38 S HN 0.705 nan 8.310 nan 0.000 0.476 39 D N 2.427 122.653 120.400 -0.290 0.000 2.363 39 D HA 0.147 4.787 4.640 -0.000 0.000 0.214 39 D C 0.274 176.299 176.300 -0.459 0.000 1.093 39 D CA -0.207 53.532 54.000 -0.435 0.000 0.837 39 D CB 0.104 40.841 40.800 -0.104 0.000 0.948 39 D HN 0.308 nan 8.370 nan 0.000 0.507 40 K N 1.170 121.376 120.400 -0.322 0.000 2.339 40 K HA 0.148 4.467 4.320 -0.000 0.000 0.260 40 K C -2.306 174.205 176.600 -0.148 0.000 0.989 40 K CA -1.271 54.910 56.287 -0.177 0.000 0.888 40 K CB -0.743 31.676 32.500 -0.134 0.000 0.983 40 K HN 0.061 nan 8.250 nan 0.000 0.515 41 P HA 0.063 nan 4.420 nan 0.000 0.275 41 P C -1.019 176.317 177.300 0.060 0.000 1.228 41 P CA -0.032 63.135 63.100 0.111 0.000 0.786 41 P CB 0.663 32.397 31.700 0.056 0.000 0.927 42 A N 2.743 125.631 122.820 0.114 0.000 2.320 42 A HA 0.189 4.509 4.320 -0.000 0.000 0.287 42 A C 1.334 178.918 177.584 0.000 0.000 1.181 42 A CA -0.285 51.777 52.037 0.042 0.000 0.831 42 A CB 0.025 19.063 19.000 0.065 0.000 1.102 42 A HN 0.599 nan 8.150 nan 0.000 0.513 43 K N 1.940 122.321 120.400 -0.030 0.000 2.116 43 K HA -0.027 4.293 4.320 -0.000 0.000 0.203 43 K C 0.003 176.555 176.600 -0.079 0.000 1.052 43 K CA 0.981 57.250 56.287 -0.031 0.000 0.952 43 K CB -0.021 32.466 32.500 -0.021 0.000 0.729 43 K HN 0.830 nan 8.250 nan 0.000 0.446 44 N N -0.217 118.387 118.700 -0.161 0.000 2.509 44 N HA 0.390 5.129 4.740 -0.000 0.000 0.280 44 N C -1.133 174.214 175.510 -0.272 0.000 1.306 44 N CA -0.552 52.266 53.050 -0.387 0.000 0.782 44 N CB 2.000 39.989 38.487 -0.831 0.000 1.493 44 N HN -0.044 nan 8.380 nan 0.000 0.498 45 I N 1.256 121.641 120.570 -0.309 0.000 2.571 45 I HA 0.397 4.567 4.170 -0.000 0.000 0.289 45 I C -1.008 174.995 176.117 -0.189 0.000 1.115 45 I CA -0.465 60.759 61.300 -0.128 0.000 1.045 45 I CB 2.212 40.252 38.000 0.067 0.000 1.238 45 I HN 0.289 nan 8.210 nan 0.000 0.424 46 I N 6.845 127.343 120.570 -0.120 0.000 2.382 46 I HA 0.289 4.459 4.170 -0.000 0.000 0.286 46 I C -0.867 175.170 176.117 -0.134 0.000 1.002 46 I CA -0.653 60.576 61.300 -0.119 0.000 1.135 46 I CB 1.894 39.889 38.000 -0.009 0.000 1.288 46 I HN 0.300 nan 8.210 nan 0.000 0.448 47 L N 8.363 129.460 121.223 -0.209 0.000 2.297 47 L HA 0.430 4.770 4.340 -0.000 0.000 0.277 47 L C -0.920 175.835 176.870 -0.193 0.000 1.040 47 L CA -0.281 54.450 54.840 -0.182 0.000 0.867 47 L CB 0.399 42.372 42.059 -0.144 0.000 1.244 47 L HN 0.368 nan 8.230 nan 0.000 0.433 48 L N 6.031 127.146 121.223 -0.181 0.000 2.281 48 L HA 0.375 4.714 4.340 -0.000 0.000 0.285 48 L C -0.085 176.648 176.870 -0.228 0.000 1.074 48 L CA 0.030 54.763 54.840 -0.177 0.000 0.817 48 L CB 1.052 43.019 42.059 -0.153 0.000 1.168 48 L HN 0.483 nan 8.230 nan 0.000 0.434 49 I N 2.984 123.426 120.570 -0.213 0.000 2.410 49 I HA 0.297 4.466 4.170 -0.000 0.000 0.286 49 I C 0.671 176.689 176.117 -0.165 0.000 1.009 49 I CA -0.260 60.895 61.300 -0.241 0.000 1.111 49 I CB 1.837 39.686 38.000 -0.251 0.000 1.262 49 I HN 0.574 nan 8.210 nan 0.000 0.443 50 G N 5.083 113.776 108.800 -0.178 0.000 2.404 50 G HA2 0.131 4.091 3.960 -0.000 0.000 0.316 50 G HA3 0.131 4.091 3.960 -0.000 0.000 0.316 50 G C -0.148 174.670 174.900 -0.137 0.000 1.074 50 G CA -0.312 44.698 45.100 -0.150 0.000 0.989 50 G HN 0.565 nan 8.290 nan 0.000 0.430 51 D N 2.050 122.393 120.400 -0.096 0.000 2.450 51 D HA 0.283 4.923 4.640 -0.000 0.000 0.247 51 D C 1.532 177.767 176.300 -0.107 0.000 1.162 51 D CA 1.506 55.445 54.000 -0.101 0.000 0.879 51 D CB 0.920 41.714 40.800 -0.010 0.000 1.163 51 D HN 0.747 nan 8.370 nan 0.000 0.472 52 G N 4.090 112.737 108.800 -0.256 0.000 2.189 52 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.267 52 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.267 52 G C 0.795 175.697 174.900 0.004 0.000 0.975 52 G CA 0.473 45.549 45.100 -0.040 0.000 0.644 52 G HN 0.584 nan 8.290 nan 0.000 0.537 53 M N 2.297 121.849 119.600 -0.080 0.000 3.445 53 M HA 0.433 4.913 4.480 -0.000 0.000 0.224 53 M C 1.227 177.503 176.300 -0.039 0.000 1.551 53 M CA 0.618 55.882 55.300 -0.061 0.000 1.671 53 M CB -0.791 31.747 32.600 -0.103 0.000 1.159 53 M HN 0.298 nan 8.290 nan 0.000 0.547 54 G N 1.507 110.315 108.800 0.014 0.000 2.516 54 G HA2 0.081 4.041 3.960 -0.000 0.000 0.276 54 G HA3 0.081 4.041 3.960 -0.000 0.000 0.276 54 G C -0.068 174.853 174.900 0.036 0.000 1.390 54 G CA -0.355 44.768 45.100 0.038 0.000 1.050 54 G HN 0.673 nan 8.290 nan 0.000 0.519 55 D N -0.886 119.545 120.400 0.051 0.000 2.144 55 D HA -0.087 4.553 4.640 -0.000 0.000 0.199 55 D C 2.526 178.857 176.300 0.051 0.000 0.984 55 D CA 1.505 55.534 54.000 0.049 0.000 0.834 55 D CB 0.078 40.911 40.800 0.055 0.000 0.955 55 D HN 0.233 nan 8.370 nan 0.000 0.465 56 S N -0.169 115.562 115.700 0.051 0.000 2.359 56 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 56 S C 1.761 176.383 174.600 0.037 0.000 1.035 56 S CA 1.216 59.440 58.200 0.040 0.000 1.018 56 S CB -0.144 63.077 63.200 0.034 0.000 0.876 56 S HN 0.124 nan 8.310 nan 0.000 0.448 57 E N 1.178 121.400 120.200 0.036 0.000 2.058 57 E HA -0.083 4.266 4.350 -0.000 0.000 0.194 57 E C 1.930 178.562 176.600 0.053 0.000 0.997 57 E CA 1.297 57.714 56.400 0.028 0.000 0.801 57 E CB -0.341 29.366 29.700 0.012 0.000 0.746 57 E HN 0.577 nan 8.360 nan 0.000 0.450 58 I N 0.526 121.131 120.570 0.058 0.000 2.142 58 I HA -0.299 3.871 4.170 -0.000 0.000 0.240 58 I C 2.115 178.328 176.117 0.160 0.000 1.078 58 I CA 1.608 62.976 61.300 0.113 0.000 1.343 58 I CB -0.867 37.182 38.000 0.082 0.000 1.046 58 I HN 0.132 nan 8.210 nan 0.000 0.405 59 T N 1.133 115.746 114.554 0.098 0.000 2.684 59 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 59 T C 2.118 176.863 174.700 0.074 0.000 1.036 59 T CA 1.562 63.706 62.100 0.074 0.000 1.148 59 T CB -0.506 68.393 68.868 0.053 0.000 0.863 59 T HN 0.495 nan 8.240 nan 0.000 0.436 60 A N 1.772 124.638 122.820 0.076 0.000 1.865 60 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 60 A C 2.715 180.383 177.584 0.140 0.000 1.191 60 A CA 2.141 54.230 52.037 0.086 0.000 0.623 60 A CB -1.320 17.714 19.000 0.057 0.000 0.826 60 A HN 0.546 nan 8.150 nan 0.000 0.444 61 A N -0.831 122.089 122.820 0.166 0.000 1.933 61 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 61 A C 2.267 179.988 177.584 0.228 0.000 1.175 61 A CA 1.719 53.906 52.037 0.250 0.000 0.628 61 A CB -0.496 18.678 19.000 0.292 0.000 0.814 61 A HN 0.560 nan 8.150 nan 0.000 0.444 62 R N -0.263 120.272 120.500 0.058 0.000 2.061 62 R HA -0.163 4.177 4.340 -0.000 0.000 0.230 62 R C 1.922 178.145 176.300 -0.128 0.000 1.140 62 R CA 1.678 57.581 56.100 -0.329 0.000 0.940 62 R CB -0.398 29.721 30.300 -0.302 0.000 0.839 62 R HN 0.527 nan 8.270 nan 0.000 0.429 63 N N 0.209 118.900 118.700 -0.016 0.000 2.036 63 N HA -0.266 4.474 4.740 -0.000 0.000 0.199 63 N C 1.558 177.090 175.510 0.036 0.000 1.036 63 N CA 1.813 54.870 53.050 0.011 0.000 0.870 63 N CB -0.891 37.622 38.487 0.044 0.000 1.055 63 N HN 0.316 nan 8.380 nan 0.000 0.436 64 Y N 0.898 121.213 120.300 0.025 0.000 2.070 64 Y HA -0.058 4.492 4.550 -0.000 0.000 0.279 64 Y C 2.273 178.212 175.900 0.066 0.000 1.134 64 Y CA 2.120 60.258 58.100 0.063 0.000 1.113 64 Y CB -0.645 37.897 38.460 0.136 0.000 0.981 64 Y HN 0.095 nan 8.280 nan 0.000 0.487 65 A N -0.802 122.250 122.820 0.387 0.000 2.119 65 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 65 A C 1.708 179.321 177.584 0.048 0.000 1.152 65 A CA 1.542 53.763 52.037 0.306 0.000 0.708 65 A CB -0.174 19.128 19.000 0.504 0.000 0.805 65 A HN 0.538 nan 8.150 nan 0.000 0.460 66 E N -1.753 118.394 120.200 -0.089 0.000 2.536 66 E HA 0.322 4.671 4.350 -0.000 0.000 0.220 66 E C 0.693 177.229 176.600 -0.107 0.000 0.876 66 E CA 0.771 57.085 56.400 -0.142 0.000 1.190 66 E CB 0.741 30.241 29.700 -0.334 0.000 1.191 66 E HN 0.710 nan 8.360 nan 0.000 0.557 67 G N 1.007 109.747 108.800 -0.099 0.000 2.663 67 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.686 67 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.686 67 G C 0.740 175.600 174.900 -0.066 0.000 1.246 67 G CA -0.082 44.973 45.100 -0.076 0.000 0.795 67 G HN 0.190 nan 8.290 nan 0.000 0.627 68 A N 0.107 122.902 122.820 -0.043 0.000 1.908 68 A HA 0.279 4.599 4.320 -0.000 0.000 0.218 68 A C 2.580 180.150 177.584 -0.022 0.000 1.181 68 A CA 2.660 54.680 52.037 -0.028 0.000 0.627 68 A CB -0.562 18.428 19.000 -0.017 0.000 0.818 68 A HN 2.386 nan 8.150 nan 0.000 0.445 69 G N -0.819 107.969 108.800 -0.021 0.000 3.233 69 G HA2 0.421 4.381 3.960 -0.000 0.000 0.227 69 G HA3 0.421 4.381 3.960 -0.000 0.000 0.227 69 G C 0.703 175.603 174.900 0.000 0.000 1.175 69 G CA 0.529 45.623 45.100 -0.010 0.000 0.781 69 G HN 0.724 nan 8.290 nan 0.000 0.542 70 G N -0.367 108.423 108.800 -0.017 0.000 2.611 70 G HA2 0.442 4.401 3.960 -0.000 0.000 0.273 70 G HA3 0.442 4.401 3.960 -0.000 0.000 0.273 70 G C -1.088 173.857 174.900 0.075 0.000 1.305 70 G CA -0.496 44.598 45.100 -0.010 0.000 1.010 70 G HN 0.229 nan 8.290 nan 0.000 0.509 71 F N -1.389 118.479 119.950 -0.138 0.000 2.615 71 F HA 0.593 5.120 4.527 -0.000 0.000 0.312 71 F C -1.905 173.855 175.800 -0.065 0.000 1.119 71 F CA -2.004 55.947 58.000 -0.081 0.000 0.979 71 F CB 1.648 40.634 39.000 -0.024 0.000 1.266 71 F HN 0.274 nan 8.300 nan 0.000 0.444 72 F N 6.140 125.710 119.950 -0.633 0.000 2.390 72 F HA 0.409 4.936 4.527 -0.000 0.000 0.361 72 F C 1.330 176.624 175.800 -0.843 0.000 1.124 72 F CA -0.610 57.073 58.000 -0.528 0.000 1.149 72 F CB 1.438 40.233 39.000 -0.343 0.000 1.160 72 F HN 0.582 nan 8.300 nan 0.000 0.501 73 K N 2.008 122.241 120.400 -0.278 0.000 2.160 73 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 73 K C 1.861 178.342 176.600 -0.199 0.000 1.047 73 K CA 1.407 57.555 56.287 -0.232 0.000 0.930 73 K CB -0.041 32.437 32.500 -0.036 0.000 0.720 73 K HN 0.852 nan 8.250 nan 0.000 0.450 74 G N 0.942 109.629 108.800 -0.189 0.000 2.680 74 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.224 74 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.224 74 G C 1.380 176.155 174.900 -0.209 0.000 1.454 74 G CA -0.092 44.898 45.100 -0.184 0.000 0.900 74 G HN 0.031 nan 8.290 nan 0.000 0.570 75 I N 1.646 122.050 120.570 -0.275 0.000 2.147 75 I HA -0.253 3.916 4.170 -0.000 0.000 0.245 75 I C 1.739 177.786 176.117 -0.118 0.000 1.059 75 I CA 1.765 62.924 61.300 -0.234 0.000 1.320 75 I CB -0.191 37.587 38.000 -0.370 0.000 1.021 75 I HN 0.168 nan 8.210 nan 0.000 0.415 76 D N 0.435 120.764 120.400 -0.119 0.000 2.349 76 D HA 0.094 4.734 4.640 -0.000 0.000 0.215 76 D C 1.967 178.303 176.300 0.061 0.000 1.016 76 D CA 0.779 54.760 54.000 -0.031 0.000 0.870 76 D CB 0.259 41.038 40.800 -0.034 0.000 0.917 76 D HN 0.350 nan 8.370 nan 0.000 0.524 77 A N 0.451 123.244 122.820 -0.045 0.000 2.119 77 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 77 A C 1.187 178.826 177.584 0.092 0.000 1.152 77 A CA 0.023 52.139 52.037 0.131 0.000 0.708 77 A CB -0.356 18.670 19.000 0.043 0.000 0.805 77 A HN 0.157 nan 8.150 nan 0.000 0.460 78 L N 1.327 122.578 121.223 0.047 0.000 2.562 78 L HA 0.080 4.420 4.340 -0.000 0.000 0.271 78 L C -0.971 175.959 176.870 0.099 0.000 1.167 78 L CA -1.099 53.783 54.840 0.069 0.000 0.917 78 L CB 0.443 42.525 42.059 0.039 0.000 1.187 78 L HN 0.198 nan 8.230 nan 0.000 0.482 79 P HA -0.102 nan 4.420 nan 0.000 0.219 79 P C 0.160 177.505 177.300 0.077 0.000 1.150 79 P CA 1.098 64.263 63.100 0.108 0.000 0.814 79 P CB 0.415 32.193 31.700 0.130 0.000 0.787 80 L N 1.082 122.347 121.223 0.070 0.000 2.280 80 L HA 0.323 4.662 4.340 -0.000 0.000 0.287 80 L C 0.460 177.348 176.870 0.031 0.000 1.023 80 L CA -0.162 54.703 54.840 0.043 0.000 0.819 80 L CB 1.377 43.455 42.059 0.031 0.000 1.212 80 L HN -0.003 nan 8.230 nan 0.000 0.420 81 T N -0.312 114.258 114.554 0.027 0.000 2.912 81 T HA 0.890 5.240 4.350 -0.000 0.000 0.288 81 T C 0.054 174.764 174.700 0.017 0.000 1.030 81 T CA -0.645 61.464 62.100 0.015 0.000 1.020 81 T CB 2.856 71.739 68.868 0.025 0.000 1.056 81 T HN 0.716 nan 8.240 nan 0.000 0.480 82 G N 0.368 109.172 108.800 0.005 0.000 2.782 82 G HA2 0.622 4.582 3.960 -0.000 0.000 0.304 82 G HA3 0.622 4.582 3.960 -0.000 0.000 0.304 82 G C -2.087 172.832 174.900 0.032 0.000 1.315 82 G CA -0.974 44.142 45.100 0.027 0.000 0.791 82 G HN 0.726 nan 8.290 nan 0.000 0.519 83 Q N -0.590 119.259 119.800 0.082 0.000 2.331 83 Q HA 0.579 4.918 4.340 -0.000 0.000 0.272 83 Q C -1.587 174.568 176.000 0.257 0.000 1.062 83 Q CA -0.795 55.089 55.803 0.134 0.000 0.806 83 Q CB 2.720 31.533 28.738 0.124 0.000 1.312 83 Q HN 0.730 nan 8.270 nan 0.000 0.431 84 Y N -1.262 119.105 120.300 0.111 0.000 2.477 84 Y HA 0.801 5.350 4.550 -0.000 0.000 0.347 84 Y C -0.746 175.260 175.900 0.176 0.000 0.981 84 Y CA -1.873 56.304 58.100 0.128 0.000 1.033 84 Y CB 0.512 39.042 38.460 0.117 0.000 1.245 84 Y HN 0.574 nan 8.280 nan 0.000 0.455 85 T N 0.325 114.936 114.554 0.096 0.000 2.909 85 T HA 0.453 4.803 4.350 -0.000 0.000 0.286 85 T C -0.379 174.187 174.700 -0.223 0.000 1.002 85 T CA -0.145 61.928 62.100 -0.044 0.000 1.074 85 T CB 0.644 69.568 68.868 0.094 0.000 0.984 85 T HN 0.940 nan 8.240 nan 0.000 0.495 86 H N -0.871 118.167 119.070 -0.053 0.000 2.750 86 H HA 0.299 4.855 4.556 -0.000 0.000 0.252 86 H C -0.169 175.135 175.328 -0.040 0.000 1.176 86 H CA -1.208 54.753 56.048 -0.145 0.000 0.987 86 H CB -1.244 28.487 29.762 -0.052 0.000 1.810 86 H HN 0.726 nan 8.280 nan 0.000 0.630 87 Y N 0.754 121.006 120.300 -0.081 0.000 2.890 87 Y HA 0.355 4.904 4.550 -0.000 0.000 0.341 87 Y C 0.389 176.268 175.900 -0.036 0.000 1.269 87 Y CA -0.548 57.532 58.100 -0.033 0.000 1.517 87 Y CB 0.310 38.747 38.460 -0.037 0.000 1.314 87 Y HN 0.337 nan 8.280 nan 0.000 0.622 88 A N 3.971 126.864 122.820 0.123 0.000 2.624 88 A HA 0.871 5.191 4.320 -0.000 0.000 0.267 88 A C -0.979 176.629 177.584 0.040 0.000 1.282 88 A CA -1.150 50.902 52.037 0.026 0.000 0.934 88 A CB 0.788 19.791 19.000 0.004 0.000 1.510 88 A HN 0.814 nan 8.150 nan 0.000 0.477 89 L N 0.392 121.617 121.223 0.004 0.000 2.371 89 L HA 0.378 4.718 4.340 -0.000 0.000 0.262 89 L C -0.354 176.520 176.870 0.006 0.000 1.006 89 L CA -0.841 53.999 54.840 -0.000 0.000 0.818 89 L CB 1.904 43.965 42.059 0.003 0.000 1.354 89 L HN 0.804 nan 8.230 nan 0.000 0.415 90 N N 2.093 120.777 118.700 -0.026 0.000 2.430 90 N HA 0.025 4.765 4.740 -0.000 0.000 0.265 90 N C 0.583 176.084 175.510 -0.016 0.000 1.100 90 N CA 0.019 53.056 53.050 -0.022 0.000 0.961 90 N CB 1.597 40.054 38.487 -0.048 0.000 1.075 90 N HN 0.663 nan 8.380 nan 0.000 0.478 91 K N 3.775 124.166 120.400 -0.015 0.000 2.020 91 K HA -0.237 4.083 4.320 -0.000 0.000 0.212 91 K C 1.473 178.010 176.600 -0.107 0.000 1.050 91 K CA 1.581 57.808 56.287 -0.101 0.000 0.929 91 K CB 0.044 32.316 32.500 -0.380 0.000 0.714 91 K HN 0.305 nan 8.250 nan 0.000 0.443 92 K N 0.063 120.407 120.400 -0.094 0.000 2.009 92 K HA -0.108 4.212 4.320 -0.000 0.000 0.210 92 K C 1.956 178.533 176.600 -0.040 0.000 1.049 92 K CA 2.260 58.507 56.287 -0.067 0.000 0.929 92 K CB -0.521 31.944 32.500 -0.060 0.000 0.714 92 K HN 0.507 nan 8.250 nan 0.000 0.440 93 T N -4.387 110.145 114.554 -0.035 0.000 3.054 93 T HA 0.244 4.594 4.350 -0.000 0.000 0.255 93 T C 1.271 175.960 174.700 -0.020 0.000 1.035 93 T CA 0.559 62.646 62.100 -0.023 0.000 0.941 93 T CB 0.282 69.136 68.868 -0.024 0.000 1.026 93 T HN 0.320 nan 8.240 nan 0.000 0.533 94 G N 1.716 110.499 108.800 -0.027 0.000 2.186 94 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.266 94 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.266 94 G C 0.076 174.963 174.900 -0.023 0.000 0.982 94 G CA 0.743 45.829 45.100 -0.022 0.000 0.670 94 G HN 0.684 nan 8.290 nan 0.000 0.533 95 K N 0.580 120.956 120.400 -0.039 0.000 2.107 95 K HA 0.443 4.763 4.320 -0.000 0.000 0.251 95 K C -2.323 174.207 176.600 -0.116 0.000 1.012 95 K CA -1.896 54.353 56.287 -0.064 0.000 0.920 95 K CB 0.706 33.169 32.500 -0.062 0.000 1.033 95 K HN -0.012 nan 8.250 nan 0.000 0.478 96 P HA -0.015 nan 4.420 nan 0.000 0.271 96 P C -1.199 175.766 177.300 -0.559 0.000 1.218 96 P CA 0.109 63.008 63.100 -0.334 0.000 0.780 96 P CB 0.507 31.885 31.700 -0.537 0.000 0.901 97 D N 1.774 121.917 120.400 -0.429 0.000 2.462 97 D HA 0.125 4.765 4.640 -0.000 0.000 0.245 97 D C 0.209 176.324 176.300 -0.308 0.000 1.122 97 D CA -0.485 53.304 54.000 -0.352 0.000 0.864 97 D CB 0.450 41.176 40.800 -0.124 0.000 1.098 97 D HN 0.235 nan 8.370 nan 0.000 0.541 98 Y N 1.569 121.892 120.300 0.039 0.000 2.403 98 Y HA -0.016 4.534 4.550 -0.000 0.000 0.291 98 Y C 1.035 176.985 175.900 0.083 0.000 1.143 98 Y CA 0.404 58.533 58.100 0.048 0.000 1.257 98 Y CB 0.085 38.548 38.460 0.004 0.000 0.984 98 Y HN 0.143 nan 8.280 nan 0.000 0.550 99 V N 0.267 120.279 119.914 0.163 0.000 2.376 99 V HA 0.240 4.360 4.120 -0.000 0.000 0.287 99 V C 0.172 176.315 176.094 0.082 0.000 1.015 99 V CA -0.996 61.392 62.300 0.147 0.000 0.834 99 V CB 1.366 33.245 31.823 0.094 0.000 1.001 99 V HN 0.043 nan 8.190 nan 0.000 0.428 100 T N 3.198 117.843 114.554 0.152 0.000 2.874 100 T HA 0.397 4.746 4.350 -0.000 0.000 0.281 100 T C -0.267 174.448 174.700 0.024 0.000 0.994 100 T CA -0.469 61.692 62.100 0.102 0.000 1.015 100 T CB 1.105 70.092 68.868 0.198 0.000 1.028 100 T HN 0.932 nan 8.240 nan 0.000 0.523 104 A N 1.222 123.954 122.820 -0.147 0.000 1.972 104 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 104 A C 2.363 179.841 177.584 -0.177 0.000 1.169 104 A CA 2.779 54.701 52.037 -0.191 0.000 0.635 104 A CB -0.886 18.027 19.000 -0.146 0.000 0.810 104 A HN 1.456 nan 8.150 nan 0.000 0.446 105 S N 0.329 115.970 115.700 -0.099 0.000 2.355 105 S HA 0.046 4.515 4.470 -0.000 0.000 0.222 105 S C 2.172 176.572 174.600 -0.334 0.000 1.031 105 S CA 1.204 59.363 58.200 -0.068 0.000 0.993 105 S CB -0.856 62.433 63.200 0.148 0.000 0.859 105 S HN 0.883 nan 8.310 nan 0.000 0.453 106 A N 1.782 124.215 122.820 -0.644 0.000 1.908 106 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 106 A C 2.411 179.389 177.584 -1.009 0.000 1.181 106 A CA 2.182 53.341 52.037 -1.464 0.000 0.627 106 A CB -1.809 16.675 19.000 -0.860 0.000 0.818 106 A HN 0.528 nan 8.150 nan 0.000 0.445 107 T N 0.080 114.300 114.554 -0.556 0.000 2.665 107 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 107 T C 2.175 176.645 174.700 -0.384 0.000 1.035 107 T CA 1.926 63.778 62.100 -0.413 0.000 1.151 107 T CB -0.480 68.193 68.868 -0.325 0.000 0.862 107 T HN 0.642 nan 8.240 nan 0.000 0.438 108 A N 1.204 123.823 122.820 -0.336 0.000 1.865 108 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 108 A C 2.139 179.667 177.584 -0.093 0.000 1.191 108 A CA 2.055 53.961 52.037 -0.218 0.000 0.623 108 A CB -1.170 17.738 19.000 -0.153 0.000 0.826 108 A HN 0.870 nan 8.150 nan 0.000 0.444 109 W N 1.301 122.606 121.300 0.007 0.000 2.467 109 W HA -0.009 4.651 4.660 -0.000 0.000 0.275 109 W C 1.837 178.458 176.519 0.170 0.000 1.239 109 W CA 1.410 58.823 57.345 0.114 0.000 1.266 109 W CB -1.043 28.509 29.460 0.154 0.000 1.112 109 W HN 0.349 nan 8.180 nan 0.000 0.576 110 S N -0.485 115.134 115.700 -0.135 0.000 2.501 110 S HA 0.015 4.484 4.470 -0.000 0.000 0.220 110 S C 1.467 176.103 174.600 0.059 0.000 0.997 110 S CA 0.988 59.223 58.200 0.058 0.000 0.919 110 S CB -0.844 62.273 63.200 -0.137 0.000 0.778 110 S HN 0.412 nan 8.310 nan 0.000 0.523 111 T N -4.383 109.959 114.554 -0.353 0.000 2.969 111 T HA 0.553 4.902 4.350 -0.000 0.000 0.258 111 T C 1.585 175.327 174.700 -1.597 0.000 0.962 111 T CA 0.705 62.327 62.100 -0.796 0.000 0.903 111 T CB 0.163 68.804 68.868 -0.378 0.000 1.177 111 T HN 1.097 nan 8.240 nan 0.000 0.511 112 G N 0.880 108.992 108.800 -1.148 0.000 2.199 112 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.254 112 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.254 112 G C 0.094 174.836 174.900 -0.263 0.000 0.982 112 G CA 0.098 44.776 45.100 -0.703 0.000 0.632 112 G HN 1.045 nan 8.290 nan 0.000 0.529 113 V N 1.393 121.075 119.914 -0.387 0.000 2.547 113 V HA 0.683 4.803 4.120 -0.000 0.000 0.299 113 V C 0.357 176.285 176.094 -0.277 0.000 1.040 113 V CA -1.137 60.964 62.300 -0.332 0.000 0.913 113 V CB 1.503 32.962 31.823 -0.607 0.000 0.992 113 V HN 0.203 nan 8.190 nan 0.000 0.449 114 K N 2.950 123.224 120.400 -0.211 0.000 2.180 114 K HA 0.470 4.789 4.320 -0.000 0.000 0.251 114 K C -0.092 176.389 176.600 -0.198 0.000 1.014 114 K CA 0.015 56.186 56.287 -0.193 0.000 0.913 114 K CB 1.382 33.795 32.500 -0.144 0.000 1.008 114 K HN 0.865 nan 8.250 nan 0.000 0.490 115 T N -0.076 114.363 114.554 -0.191 0.000 2.739 115 T HA 0.400 4.750 4.350 -0.000 0.000 0.303 115 T C -1.435 173.157 174.700 -0.181 0.000 1.389 115 T CA -0.783 61.185 62.100 -0.220 0.000 1.001 115 T CB 0.302 68.960 68.868 -0.350 0.000 1.436 115 T HN 0.396 nan 8.240 nan 0.000 0.500 116 Y N 1.206 121.450 120.300 -0.092 0.000 2.326 116 Y HA 0.605 5.154 4.550 -0.000 0.000 0.333 116 Y C 0.689 176.551 175.900 -0.064 0.000 1.240 116 Y CA -1.280 56.775 58.100 -0.075 0.000 1.365 116 Y CB -0.025 38.393 38.460 -0.070 0.000 1.289 116 Y HN 0.368 nan 8.280 nan 0.000 0.548 117 N N 1.020 119.754 118.700 0.058 0.000 2.407 117 N HA 0.228 4.968 4.740 -0.000 0.000 0.250 117 N C 1.169 176.701 175.510 0.036 0.000 1.236 117 N CA 1.382 54.430 53.050 -0.003 0.000 0.879 117 N CB 0.856 39.345 38.487 0.004 0.000 1.088 117 N HN 1.121 nan 8.380 nan 0.000 0.450 118 G N -0.575 108.204 108.800 -0.036 0.000 2.241 118 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.244 118 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.244 118 G C 0.295 175.150 174.900 -0.075 0.000 0.998 118 G CA 0.335 45.437 45.100 0.003 0.000 0.621 118 G HN 0.924 nan 8.290 nan 0.000 0.519 119 A N -0.144 122.467 122.820 -0.348 0.000 2.366 119 A HA 0.775 5.094 4.320 -0.000 0.000 0.249 119 A C 0.108 177.514 177.584 -0.297 0.000 1.084 119 A CA 0.368 52.087 52.037 -0.531 0.000 0.794 119 A CB 0.534 18.779 19.000 -1.258 0.000 1.034 119 A HN 1.045 nan 8.150 nan 0.000 0.491 120 L N 1.180 122.274 121.223 -0.216 0.000 2.568 120 L HA 0.487 4.827 4.340 -0.000 0.000 0.262 120 L C 0.850 177.630 176.870 -0.150 0.000 0.980 120 L CA 0.314 55.043 54.840 -0.185 0.000 0.882 120 L CB 1.523 43.495 42.059 -0.146 0.000 1.198 120 L HN 1.331 nan 8.230 nan 0.000 0.425 121 G N 2.518 111.222 108.800 -0.160 0.000 2.153 121 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.252 121 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.252 121 G C -0.158 174.853 174.900 0.184 0.000 0.994 121 G CA 0.364 45.456 45.100 -0.013 0.000 0.698 121 G HN 0.720 nan 8.290 nan 0.000 0.521 122 V N -2.729 117.205 119.914 0.034 0.000 3.078 122 V HA 0.887 5.006 4.120 -0.000 0.000 0.311 122 V C 0.089 176.173 176.094 -0.017 0.000 1.138 122 V CA -0.468 61.886 62.300 0.091 0.000 1.007 122 V CB 2.103 33.989 31.823 0.104 0.000 1.045 122 V HN 0.360 nan 8.190 nan 0.000 0.432 123 D N 2.123 122.562 120.400 0.065 0.000 2.507 123 D HA 0.288 4.928 4.640 -0.000 0.000 0.280 123 D C 1.379 177.712 176.300 0.056 0.000 1.219 123 D CA -0.105 53.869 54.000 -0.044 0.000 1.085 123 D CB 0.438 41.204 40.800 -0.057 0.000 1.134 123 D HN 0.784 nan 8.370 nan 0.000 0.583 124 I N -2.958 117.593 120.570 -0.031 0.000 2.614 124 I HA -0.133 4.037 4.170 -0.000 0.000 0.258 124 I C 1.157 177.217 176.117 -0.095 0.000 1.189 124 I CA 0.943 62.274 61.300 0.053 0.000 1.462 124 I CB -0.585 37.355 38.000 -0.100 0.000 1.092 124 I HN 0.208 nan 8.210 nan 0.000 0.442 125 H N 1.968 121.114 119.070 0.125 0.000 2.547 125 H HA 0.159 4.715 4.556 -0.000 0.000 0.266 125 H C 0.301 175.686 175.328 0.095 0.000 0.988 125 H CA 0.592 56.689 56.048 0.081 0.000 1.147 125 H CB -0.244 29.557 29.762 0.064 0.000 1.365 125 H HN 0.566 nan 8.280 nan 0.000 0.589 126 E N -0.018 120.306 120.200 0.206 0.000 3.070 126 E HA -0.192 4.157 4.350 -0.000 0.000 0.285 126 E C 0.342 177.027 176.600 0.143 0.000 0.972 126 E CA 0.374 56.887 56.400 0.189 0.000 0.915 126 E CB -1.081 28.708 29.700 0.148 0.000 1.466 126 E HN 0.406 nan 8.360 nan 0.000 0.432 127 K N 1.939 122.435 120.400 0.160 0.000 2.201 127 K HA 0.156 4.476 4.320 -0.000 0.000 0.278 127 K C -0.293 176.355 176.600 0.080 0.000 1.027 127 K CA -0.550 55.787 56.287 0.084 0.000 0.909 127 K CB 0.768 33.310 32.500 0.070 0.000 1.062 127 K HN -0.163 nan 8.250 nan 0.000 0.465 128 D N 2.753 123.129 120.400 -0.039 0.000 2.400 128 D HA 0.058 4.698 4.640 -0.000 0.000 0.238 128 D C -0.260 175.916 176.300 -0.206 0.000 1.157 128 D CA 0.650 54.583 54.000 -0.113 0.000 0.889 128 D CB 0.386 40.960 40.800 -0.376 0.000 1.199 128 D HN 0.443 nan 8.370 nan 0.000 0.436 129 H N 0.423 119.430 119.070 -0.106 0.000 2.856 129 H HA 0.257 4.812 4.556 -0.000 0.000 0.355 129 H C -2.373 172.944 175.328 -0.018 0.000 1.079 129 H CA -1.519 54.481 56.048 -0.080 0.000 1.240 129 H CB 2.380 32.085 29.762 -0.095 0.000 1.701 129 H HN 0.163 nan 8.280 nan 0.000 0.527 130 P HA -0.023 nan 4.420 nan 0.000 0.271 130 P C 0.351 177.735 177.300 0.140 0.000 1.226 130 P CA -0.172 62.991 63.100 0.105 0.000 0.765 130 P CB 0.492 32.218 31.700 0.044 0.000 0.835 131 T N 0.521 115.174 114.554 0.166 0.000 2.900 131 T HA 0.037 4.386 4.350 -0.000 0.000 0.307 131 T C 1.326 176.080 174.700 0.090 0.000 1.065 131 T CA -0.511 61.646 62.100 0.096 0.000 1.105 131 T CB 0.294 69.171 68.868 0.015 0.000 0.979 131 T HN 0.218 nan 8.240 nan 0.000 0.544 132 I N 1.960 122.580 120.570 0.083 0.000 2.335 132 I HA -0.065 4.104 4.170 -0.000 0.000 0.251 132 I C 2.025 177.928 176.117 -0.357 0.000 1.129 132 I CA 1.216 62.416 61.300 -0.166 0.000 1.402 132 I CB -0.601 37.196 38.000 -0.339 0.000 1.069 132 I HN 0.822 nan 8.210 nan 0.000 0.424 133 L N 0.293 121.348 121.223 -0.281 0.000 1.994 133 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 133 L C 2.404 179.247 176.870 -0.046 0.000 1.071 133 L CA 1.809 56.552 54.840 -0.162 0.000 0.745 133 L CB -0.536 41.540 42.059 0.027 0.000 0.892 133 L HN 0.258 nan 8.230 nan 0.000 0.431 134 E N -0.629 119.570 120.200 -0.002 0.000 2.153 134 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 134 E C 2.107 178.714 176.600 0.012 0.000 0.988 134 E CA 1.663 58.082 56.400 0.033 0.000 0.811 134 E CB -0.167 29.579 29.700 0.076 0.000 0.746 134 E HN 0.592 nan 8.360 nan 0.000 0.466 135 M N 0.033 119.622 119.600 -0.018 0.000 2.288 135 M HA 0.012 4.492 4.480 -0.000 0.000 0.266 135 M C 2.415 178.691 176.300 -0.040 0.000 1.072 135 M CA 0.950 56.234 55.300 -0.027 0.000 1.132 135 M CB 0.046 32.622 32.600 -0.040 0.000 1.386 135 M HN 0.096 nan 8.290 nan 0.000 0.432 136 A N 0.786 123.565 122.820 -0.068 0.000 1.873 136 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 136 A C 2.177 179.778 177.584 0.029 0.000 1.186 136 A CA 1.767 53.791 52.037 -0.022 0.000 0.616 136 A CB -0.570 18.423 19.000 -0.011 0.000 0.823 136 A HN 0.404 nan 8.150 nan 0.000 0.442 137 K N -0.309 120.112 120.400 0.035 0.000 2.009 137 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 137 K C 2.205 178.825 176.600 0.033 0.000 1.049 137 K CA 1.296 57.611 56.287 0.047 0.000 0.929 137 K CB -0.370 32.161 32.500 0.051 0.000 0.714 137 K HN 0.356 nan 8.250 nan 0.000 0.440 138 A N 0.959 123.793 122.820 0.023 0.000 1.917 138 A HA -0.182 4.137 4.320 -0.000 0.000 0.219 138 A C 2.251 179.845 177.584 0.017 0.000 1.182 138 A CA 2.167 54.215 52.037 0.019 0.000 0.633 138 A CB -0.783 18.226 19.000 0.015 0.000 0.819 138 A HN 0.511 nan 8.150 nan 0.000 0.448 139 A N -2.479 120.349 122.820 0.015 0.000 2.119 139 A HA 0.385 4.705 4.320 -0.000 0.000 0.216 139 A C 1.877 179.476 177.584 0.026 0.000 1.152 139 A CA 1.465 53.511 52.037 0.015 0.000 0.708 139 A CB -0.649 18.355 19.000 0.006 0.000 0.805 139 A HN 1.935 nan 8.150 nan 0.000 0.460 140 G N -2.280 106.541 108.800 0.035 0.000 2.175 140 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.182 140 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.182 140 G C -0.067 174.869 174.900 0.061 0.000 1.003 140 G CA 0.012 45.137 45.100 0.042 0.000 0.666 140 G HN 0.341 nan 8.290 nan 0.000 0.506 141 L N 1.210 122.479 121.223 0.077 0.000 2.421 141 L HA 0.793 5.133 4.340 -0.000 0.000 0.263 141 L C 1.210 178.164 176.870 0.139 0.000 1.122 141 L CA 0.008 54.919 54.840 0.118 0.000 0.804 141 L CB 1.058 43.199 42.059 0.136 0.000 1.150 141 L HN 0.353 nan 8.230 nan 0.000 0.457 142 A N 0.627 123.553 122.820 0.176 0.000 2.346 142 A HA 0.642 4.962 4.320 -0.000 0.000 0.252 142 A C -0.038 177.669 177.584 0.204 0.000 1.089 142 A CA 0.075 52.197 52.037 0.142 0.000 0.797 142 A CB 0.112 19.163 19.000 0.085 0.000 1.047 142 A HN 0.750 nan 8.150 nan 0.000 0.494 143 T N -1.665 112.976 114.554 0.145 0.000 2.993 143 T HA 0.683 5.032 4.350 -0.000 0.000 0.312 143 T C -0.405 174.366 174.700 0.120 0.000 1.115 143 T CA 0.026 62.254 62.100 0.213 0.000 1.027 143 T CB 1.552 70.554 68.868 0.223 0.000 1.116 143 T HN 1.625 nan 8.240 nan 0.000 0.464 144 G N 1.005 109.873 108.800 0.113 0.000 2.638 144 G HA2 0.590 4.549 3.960 -0.000 0.000 0.302 144 G HA3 0.590 4.549 3.960 -0.000 0.000 0.302 144 G C -1.551 173.380 174.900 0.052 0.000 1.365 144 G CA -0.780 44.337 45.100 0.029 0.000 0.987 144 G HN 0.750 nan 8.290 nan 0.000 0.495 145 N N 1.258 119.991 118.700 0.054 0.000 2.576 145 N HA 0.425 5.165 4.740 -0.000 0.000 0.269 145 N C -1.391 174.141 175.510 0.036 0.000 1.058 145 N CA -0.253 52.837 53.050 0.068 0.000 0.860 145 N CB 1.857 40.402 38.487 0.097 0.000 1.249 145 N HN 0.207 nan 8.380 nan 0.000 0.525 146 V N 1.730 121.652 119.914 0.013 0.000 2.448 146 V HA 0.697 4.816 4.120 -0.000 0.000 0.295 146 V C -0.126 175.971 176.094 0.005 0.000 1.025 146 V CA -0.411 61.891 62.300 0.004 0.000 0.859 146 V CB 1.412 33.217 31.823 -0.031 0.000 0.988 146 V HN 0.690 nan 8.190 nan 0.000 0.431 147 S N 2.677 118.387 115.700 0.017 0.000 2.671 147 S HA 0.536 5.006 4.470 -0.000 0.000 0.277 147 S C 0.401 175.008 174.600 0.010 0.000 1.165 147 S CA 0.262 58.470 58.200 0.013 0.000 0.822 147 S CB 2.315 65.535 63.200 0.032 0.000 1.150 147 S HN 0.917 nan 8.310 nan 0.000 0.479 148 T N -0.438 114.116 114.554 0.000 0.000 3.129 148 T HA 0.685 5.034 4.350 -0.000 0.000 0.267 148 T C 0.484 175.197 174.700 0.021 0.000 1.018 148 T CA 0.271 62.370 62.100 -0.002 0.000 0.903 148 T CB 0.072 68.919 68.868 -0.034 0.000 1.067 148 T HN 0.858 nan 8.240 nan 0.000 0.549 149 A N 1.087 123.928 122.820 0.034 0.000 2.452 149 A HA 0.737 5.057 4.320 -0.000 0.000 0.285 149 A C -0.341 177.276 177.584 0.056 0.000 1.209 149 A CA -0.980 51.086 52.037 0.049 0.000 0.940 149 A CB 0.737 19.768 19.000 0.052 0.000 1.440 149 A HN 0.474 nan 8.150 nan 0.000 0.480 150 E N -0.220 120.019 120.200 0.064 0.000 2.338 150 E HA 0.260 4.610 4.350 -0.000 0.000 0.272 150 E C 0.272 176.869 176.600 -0.004 0.000 1.029 150 E CA -0.229 56.205 56.400 0.057 0.000 0.872 150 E CB 0.838 30.602 29.700 0.107 0.000 1.015 150 E HN 0.496 nan 8.360 nan 0.000 0.417 151 L N 2.409 123.638 121.223 0.009 0.000 2.353 151 L HA -0.221 4.119 4.340 -0.000 0.000 0.220 151 L C 1.606 178.405 176.870 -0.118 0.000 1.133 151 L CA 1.068 55.901 54.840 -0.012 0.000 0.798 151 L CB -0.248 41.842 42.059 0.051 0.000 0.922 151 L HN 0.477 nan 8.230 nan 0.000 0.445 152 Q N -0.934 118.705 119.800 -0.270 0.000 2.403 152 Q HA 0.044 4.384 4.340 -0.000 0.000 0.203 152 Q C 0.227 175.837 176.000 -0.651 0.000 0.932 152 Q CA 0.088 55.550 55.803 -0.567 0.000 0.945 152 Q CB -0.107 27.992 28.738 -1.065 0.000 1.045 152 Q HN 0.288 nan 8.270 nan 0.000 0.511 153 D N -0.735 119.473 120.400 -0.320 0.000 2.360 153 D HA 0.243 4.883 4.640 -0.000 0.000 0.242 153 D C 0.966 177.219 176.300 -0.079 0.000 1.184 153 D CA 0.480 54.410 54.000 -0.117 0.000 0.930 153 D CB 0.875 41.688 40.800 0.021 0.000 1.161 153 D HN 0.093 nan 8.370 nan 0.000 0.447 154 A N 1.256 124.073 122.820 -0.006 0.000 1.873 154 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 154 A C 2.099 179.660 177.584 -0.038 0.000 1.193 154 A CA 2.555 54.578 52.037 -0.025 0.000 0.629 154 A CB -1.221 17.785 19.000 0.010 0.000 0.826 154 A HN 0.714 nan 8.150 nan 0.000 0.447 155 T N 0.459 115.028 114.554 0.026 0.000 2.652 155 T HA -0.106 4.243 4.350 -0.000 0.000 0.267 155 T C -0.104 174.647 174.700 0.084 0.000 1.039 155 T CA 1.792 63.945 62.100 0.088 0.000 1.153 155 T CB -1.238 67.737 68.868 0.179 0.000 0.863 155 T HN 0.566 nan 8.240 nan 0.000 0.428 156 P HA 0.196 nan 4.420 nan 0.000 0.217 156 P C 1.589 178.886 177.300 -0.006 0.000 1.154 156 P CA 1.116 64.245 63.100 0.048 0.000 0.841 156 P CB -0.192 31.528 31.700 0.033 0.000 0.790 157 A N 1.239 124.022 122.820 -0.062 0.000 1.908 157 A HA -0.122 4.197 4.320 -0.000 0.000 0.218 157 A C 2.485 179.991 177.584 -0.130 0.000 1.181 157 A CA 2.303 54.275 52.037 -0.108 0.000 0.627 157 A CB -1.690 17.218 19.000 -0.153 0.000 0.818 157 A HN 0.219 nan 8.150 nan 0.000 0.445 158 A N -0.606 122.128 122.820 -0.143 0.000 2.139 158 A HA -0.053 4.267 4.320 -0.000 0.000 0.221 158 A C 2.031 179.499 177.584 -0.193 0.000 1.159 158 A CA 1.429 53.340 52.037 -0.210 0.000 0.662 158 A CB -0.553 18.276 19.000 -0.285 0.000 0.796 158 A HN 0.518 nan 8.150 nan 0.000 0.463 159 L N -0.849 120.320 121.223 -0.090 0.000 2.240 159 L HA -0.086 4.253 4.340 -0.000 0.000 0.211 159 L C 1.908 178.740 176.870 -0.064 0.000 1.106 159 L CA 1.285 56.111 54.840 -0.024 0.000 0.793 159 L CB 0.038 42.159 42.059 0.104 0.000 0.927 159 L HN 0.446 nan 8.230 nan 0.000 0.446 160 V N -5.160 114.690 119.914 -0.107 0.000 3.497 160 V HA 0.460 4.580 4.120 -0.000 0.000 0.272 160 V C 0.698 176.679 176.094 -0.188 0.000 1.474 160 V CA -0.015 62.228 62.300 -0.096 0.000 1.025 160 V CB -0.039 31.771 31.823 -0.023 0.000 0.820 160 V HN 0.098 nan 8.190 nan 0.000 0.437 161 A N 0.301 122.950 122.820 -0.284 0.000 2.311 161 A HA 0.838 5.157 4.320 -0.000 0.000 0.334 161 A C -0.707 176.572 177.584 -0.509 0.000 1.139 161 A CA -0.434 51.434 52.037 -0.283 0.000 0.830 161 A CB 0.727 19.633 19.000 -0.156 0.000 1.234 161 A HN 0.525 nan 8.150 nan 0.000 0.483 162 H N 0.996 120.048 119.070 -0.031 0.000 3.092 162 H HA 0.475 5.031 4.556 -0.000 0.000 0.308 162 H C -1.098 174.222 175.328 -0.013 0.000 1.047 162 H CA -0.251 55.782 56.048 -0.026 0.000 1.466 162 H CB 1.069 30.822 29.762 -0.014 0.000 1.597 162 H HN 0.687 nan 8.280 nan 0.000 0.512 163 V N -0.157 119.793 119.914 0.060 0.000 3.049 163 V HA 0.382 4.502 4.120 -0.000 0.000 0.309 163 V C 1.071 177.204 176.094 0.064 0.000 1.148 163 V CA -0.942 61.390 62.300 0.054 0.000 0.990 163 V CB 1.869 33.708 31.823 0.027 0.000 1.039 163 V HN 0.633 nan 8.190 nan 0.000 0.430 164 T N -1.489 113.123 114.554 0.096 0.000 3.160 164 T HA 0.232 4.581 4.350 -0.000 0.000 0.257 164 T C 0.656 175.466 174.700 0.182 0.000 1.147 164 T CA 0.783 62.983 62.100 0.167 0.000 1.064 164 T CB -0.244 68.710 68.868 0.144 0.000 0.949 164 T HN 1.224 nan 8.240 nan 0.000 0.526 165 S N 0.669 116.430 115.700 0.101 0.000 2.562 165 S HA 0.319 4.788 4.470 -0.000 0.000 0.274 165 S C 0.882 175.519 174.600 0.061 0.000 1.160 165 S CA -1.026 57.227 58.200 0.090 0.000 0.933 165 S CB 1.283 64.533 63.200 0.083 0.000 1.100 165 S HN 0.442 nan 8.310 nan 0.000 0.468 166 R N 3.520 124.052 120.500 0.053 0.000 2.200 166 R HA -0.008 4.332 4.340 -0.000 0.000 0.234 166 R C 1.017 177.410 176.300 0.154 0.000 1.127 166 R CA 1.175 57.314 56.100 0.065 0.000 0.989 166 R CB -0.391 29.943 30.300 0.057 0.000 0.869 166 R HN 0.499 nan 8.270 nan 0.000 0.459 167 K N 0.488 120.966 120.400 0.130 0.000 2.365 167 K HA 0.019 4.339 4.320 -0.000 0.000 0.199 167 K C 0.507 177.208 176.600 0.168 0.000 1.045 167 K CA 0.657 57.022 56.287 0.131 0.000 0.962 167 K CB 0.089 32.610 32.500 0.036 0.000 0.759 167 K HN 0.171 nan 8.250 nan 0.000 0.469 168 c N 2.470 121.154 118.600 0.139 0.000 3.506 168 c HA 0.093 4.663 4.570 -0.000 0.000 0.578 168 c C 1.425 175.602 174.090 0.144 0.000 1.153 168 c CA -0.785 55.610 56.329 0.111 0.000 1.248 168 c CB -2.491 40.055 42.510 0.059 0.000 1.532 168 c HN 0.344 nan 8.230 nan 0.000 0.646 169 Y N 1.789 122.065 120.300 -0.041 0.000 2.081 169 Y HA 0.006 4.556 4.550 -0.000 0.000 0.280 169 Y C 1.874 177.717 175.900 -0.096 0.000 1.163 169 Y CA 1.998 60.061 58.100 -0.062 0.000 1.135 169 Y CB -0.472 37.958 38.460 -0.051 0.000 0.970 169 Y HN 0.535 nan 8.280 nan 0.000 0.498 170 G N -3.888 104.972 108.800 0.100 0.000 2.766 170 G HA2 0.379 4.339 3.960 -0.000 0.000 0.288 170 G HA3 0.379 4.339 3.960 -0.000 0.000 0.288 170 G C -2.177 172.720 174.900 -0.006 0.000 1.408 170 G CA -1.069 44.027 45.100 -0.007 0.000 0.852 170 G HN -0.226 nan 8.290 nan 0.000 0.487 171 P HA -0.296 nan 4.420 nan 0.000 0.224 171 P C 2.245 179.545 177.300 -0.000 0.000 1.153 171 P CA 3.345 66.439 63.100 -0.010 0.000 0.947 171 P CB 0.193 31.885 31.700 -0.013 0.000 0.790 172 S N -1.886 113.813 115.700 -0.001 0.000 2.406 172 S HA 0.086 4.556 4.470 -0.000 0.000 0.224 172 S C 2.086 176.686 174.600 -0.000 0.000 1.030 172 S CA 0.750 58.950 58.200 -0.001 0.000 0.958 172 S CB -1.285 61.912 63.200 -0.005 0.000 0.811 172 S HN 0.150 nan 8.310 nan 0.000 0.489 173 A N 2.078 124.899 122.820 0.001 0.000 1.933 173 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 173 A C 2.385 179.976 177.584 0.012 0.000 1.175 173 A CA 2.169 54.206 52.037 -0.000 0.000 0.628 173 A CB -1.718 17.283 19.000 0.001 0.000 0.814 173 A HN 0.604 nan 8.150 nan 0.000 0.444 174 T N 0.067 114.633 114.554 0.020 0.000 2.708 174 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 174 T C 2.216 176.925 174.700 0.016 0.000 1.037 174 T CA 1.670 63.783 62.100 0.022 0.000 1.146 174 T CB -0.444 68.436 68.868 0.019 0.000 0.865 174 T HN 0.464 nan 8.240 nan 0.000 0.435 175 S N 1.729 117.435 115.700 0.011 0.000 2.370 175 S HA -0.173 4.296 4.470 -0.000 0.000 0.226 175 S C 2.151 176.755 174.600 0.007 0.000 1.033 175 S CA 1.644 59.849 58.200 0.009 0.000 1.011 175 S CB -0.331 62.873 63.200 0.007 0.000 0.852 175 S HN 0.861 nan 8.310 nan 0.000 0.457 176 E N 0.489 120.692 120.200 0.005 0.000 2.400 176 E HA 0.084 4.434 4.350 -0.000 0.000 0.195 176 E C 1.425 178.028 176.600 0.004 0.000 1.012 176 E CA 0.459 56.860 56.400 0.002 0.000 0.875 176 E CB 0.045 29.744 29.700 -0.003 0.000 0.859 176 E HN 0.327 nan 8.360 nan 0.000 0.498 177 K N -0.396 120.009 120.400 0.009 0.000 2.435 177 K HA 0.253 4.572 4.320 -0.000 0.000 0.199 177 K C -0.158 176.455 176.600 0.022 0.000 1.153 177 K CA 0.142 56.437 56.287 0.013 0.000 0.974 177 K CB 1.232 33.741 32.500 0.015 0.000 0.997 177 K HN 0.034 nan 8.250 nan 0.000 0.547 178 c N 2.221 120.835 118.600 0.024 0.000 3.414 178 c HA 0.286 4.855 4.570 -0.000 0.000 0.208 178 c C -1.998 172.107 174.090 0.024 0.000 1.422 178 c CA -1.377 54.971 56.329 0.030 0.000 1.437 178 c CB 0.329 42.862 42.510 0.039 0.000 1.850 178 c HN 0.180 nan 8.230 nan 0.000 0.481 179 P HA -0.095 nan 4.420 nan 0.000 0.215 179 P C 1.743 179.053 177.300 0.016 0.000 1.157 179 P CA 1.716 64.825 63.100 0.014 0.000 0.868 179 P CB 0.106 31.811 31.700 0.009 0.000 0.788 180 G N -1.603 107.208 108.800 0.018 0.000 2.653 180 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.212 180 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.212 180 G C 1.120 176.035 174.900 0.025 0.000 1.138 180 G CA 0.603 45.715 45.100 0.020 0.000 0.782 180 G HN 0.356 nan 8.290 nan 0.000 0.535 181 N N -0.893 117.823 118.700 0.027 0.000 2.257 181 N HA 0.288 5.027 4.740 -0.000 0.000 0.200 181 N C 1.042 176.568 175.510 0.027 0.000 1.163 181 N CA -0.100 52.969 53.050 0.031 0.000 0.891 181 N CB 0.611 39.121 38.487 0.038 0.000 1.067 181 N HN 0.223 nan 8.380 nan 0.000 0.497 182 A N 0.950 123.784 122.820 0.022 0.000 2.565 182 A HA -0.014 4.306 4.320 -0.000 0.000 0.237 182 A C 1.212 178.808 177.584 0.021 0.000 1.053 182 A CA -0.043 52.006 52.037 0.020 0.000 0.755 182 A CB 0.151 19.160 19.000 0.016 0.000 0.980 182 A HN 0.256 nan 8.150 nan 0.000 0.506 183 L N 1.761 122.998 121.223 0.024 0.000 2.046 183 L HA -0.168 4.171 4.340 -0.000 0.000 0.208 183 L C 2.692 179.576 176.870 0.024 0.000 1.077 183 L CA 2.645 57.503 54.840 0.030 0.000 0.747 183 L CB -0.557 41.525 42.059 0.039 0.000 0.896 183 L HN 0.917 nan 8.230 nan 0.000 0.432 184 E N -0.764 119.448 120.200 0.020 0.000 2.268 184 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 184 E C 0.976 177.583 176.600 0.011 0.000 0.995 184 E CA 0.905 57.314 56.400 0.015 0.000 0.836 184 E CB -0.273 29.435 29.700 0.013 0.000 0.763 184 E HN 0.458 nan 8.360 nan 0.000 0.491 185 K N 0.358 120.766 120.400 0.012 0.000 2.437 185 K HA 0.144 4.464 4.320 -0.000 0.000 0.198 185 K C 0.900 177.506 176.600 0.010 0.000 1.024 185 K CA 0.520 56.813 56.287 0.010 0.000 1.148 185 K CB 0.637 33.143 32.500 0.010 0.000 0.860 185 K HN 0.329 nan 8.250 nan 0.000 0.515 186 G N 1.297 110.105 108.800 0.013 0.000 2.137 186 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.237 186 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.237 186 G C 0.450 175.360 174.900 0.016 0.000 1.002 186 G CA 0.057 45.165 45.100 0.013 0.000 0.702 186 G HN 0.537 nan 8.290 nan 0.000 0.515 187 G N -0.974 107.838 108.800 0.020 0.000 2.557 187 G HA2 0.565 4.525 3.960 -0.000 0.000 0.292 187 G HA3 0.565 4.525 3.960 -0.000 0.000 0.292 187 G C 0.886 175.804 174.900 0.030 0.000 1.237 187 G CA 0.070 45.184 45.100 0.023 0.000 0.978 187 G HN 0.298 nan 8.290 nan 0.000 0.498 188 K N -0.467 119.953 120.400 0.034 0.000 2.288 188 K HA 0.269 4.589 4.320 -0.000 0.000 0.201 188 K C 1.170 177.797 176.600 0.045 0.000 1.048 188 K CA 0.850 57.163 56.287 0.044 0.000 0.956 188 K CB -0.024 32.507 32.500 0.052 0.000 0.746 188 K HN 0.893 nan 8.250 nan 0.000 0.461 189 G N 0.682 109.504 108.800 0.036 0.000 2.371 189 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.663 189 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.663 189 G C -0.445 174.462 174.900 0.012 0.000 1.311 189 G CA -0.482 44.633 45.100 0.025 0.000 0.985 189 G HN 0.172 nan 8.290 nan 0.000 0.566 190 S N -1.011 114.685 115.700 -0.006 0.000 2.617 190 S HA 0.483 4.953 4.470 -0.000 0.000 0.255 190 S C 1.807 176.380 174.600 -0.045 0.000 1.318 190 S CA 0.170 58.359 58.200 -0.019 0.000 0.978 190 S CB 0.613 63.793 63.200 -0.033 0.000 0.961 190 S HN 0.864 nan 8.310 nan 0.000 0.582 191 I N 0.622 121.153 120.570 -0.065 0.000 2.252 191 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 191 I C 2.640 178.664 176.117 -0.156 0.000 1.102 191 I CA 1.449 62.681 61.300 -0.112 0.000 1.385 191 I CB -0.998 36.908 38.000 -0.157 0.000 1.064 191 I HN 0.718 nan 8.210 nan 0.000 0.414 192 T N 0.155 114.580 114.554 -0.215 0.000 2.777 192 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 192 T C 1.727 176.263 174.700 -0.274 0.000 1.040 192 T CA 1.253 63.147 62.100 -0.343 0.000 1.141 192 T CB -0.240 68.275 68.868 -0.590 0.000 0.868 192 T HN 0.393 nan 8.240 nan 0.000 0.444 193 E N 1.062 121.148 120.200 -0.190 0.000 2.110 193 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 193 E C 2.465 179.030 176.600 -0.058 0.000 0.988 193 E CA 0.826 57.157 56.400 -0.115 0.000 0.804 193 E CB -0.093 29.573 29.700 -0.057 0.000 0.745 193 E HN 0.553 nan 8.360 nan 0.000 0.458 194 Q N 0.393 120.165 119.800 -0.047 0.000 2.230 194 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 194 Q C 2.376 178.373 176.000 -0.004 0.000 0.963 194 Q CA 0.576 56.376 55.803 -0.005 0.000 0.866 194 Q CB -0.001 28.740 28.738 0.005 0.000 0.931 194 Q HN 0.343 nan 8.270 nan 0.000 0.452 195 L N 0.358 121.556 121.223 -0.042 0.000 2.005 195 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 195 L C 2.041 178.921 176.870 0.018 0.000 1.072 195 L CA 1.116 55.946 54.840 -0.018 0.000 0.744 195 L CB -0.163 41.869 42.059 -0.045 0.000 0.895 195 L HN 0.186 nan 8.230 nan 0.000 0.433 196 L N 0.531 121.734 121.223 -0.033 0.000 2.187 196 L HA -0.228 4.112 4.340 -0.000 0.000 0.213 196 L C 2.262 179.211 176.870 0.132 0.000 1.100 196 L CA 0.962 55.798 54.840 -0.006 0.000 0.765 196 L CB -0.775 41.215 42.059 -0.116 0.000 0.904 196 L HN 0.412 nan 8.230 nan 0.000 0.437 197 N N -0.004 118.741 118.700 0.075 0.000 2.250 197 N HA -0.059 4.681 4.740 -0.000 0.000 0.181 197 N C 1.948 177.519 175.510 0.103 0.000 1.017 197 N CA 1.333 54.438 53.050 0.093 0.000 0.866 197 N CB -0.239 38.297 38.487 0.083 0.000 0.985 197 N HN 0.280 nan 8.380 nan 0.000 0.429 198 A N 0.838 123.716 122.820 0.097 0.000 1.933 198 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 198 A C 0.946 178.593 177.584 0.104 0.000 1.175 198 A CA 0.777 52.870 52.037 0.093 0.000 0.628 198 A CB -0.441 18.605 19.000 0.078 0.000 0.814 198 A HN 0.404 nan 8.150 nan 0.000 0.444 199 R N -1.617 118.978 120.500 0.158 0.000 2.994 199 R HA -0.145 4.194 4.340 -0.000 0.000 0.267 199 R C -0.035 176.329 176.300 0.106 0.000 0.914 199 R CA 0.126 56.322 56.100 0.159 0.000 0.668 199 R CB -1.787 28.537 30.300 0.041 0.000 1.524 199 R HN 0.885 nan 8.270 nan 0.000 0.478 200 A N 1.876 124.778 122.820 0.136 0.000 2.351 200 A HA 0.192 4.512 4.320 -0.000 0.000 0.257 200 A C 1.061 178.698 177.584 0.088 0.000 1.087 200 A CA -0.075 52.028 52.037 0.109 0.000 0.798 200 A CB 0.379 19.451 19.000 0.119 0.000 1.033 200 A HN 0.637 nan 8.150 nan 0.000 0.488 201 D N -0.161 120.273 120.400 0.056 0.000 2.117 201 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 201 D C 0.060 176.374 176.300 0.022 0.000 0.987 201 D CA 1.650 55.662 54.000 0.020 0.000 0.829 201 D CB -0.012 40.788 40.800 0.001 0.000 0.961 201 D HN 0.230 nan 8.370 nan 0.000 0.460 202 V N 0.870 120.798 119.914 0.023 0.000 2.525 202 V HA 0.293 4.413 4.120 -0.000 0.000 0.299 202 V C -0.359 175.754 176.094 0.031 0.000 1.034 202 V CA -0.540 61.767 62.300 0.010 0.000 0.863 202 V CB 2.131 33.927 31.823 -0.044 0.000 0.999 202 V HN -0.112 nan 8.190 nan 0.000 0.423 203 T N 6.587 121.163 114.554 0.037 0.000 2.881 203 T HA 0.733 5.082 4.350 -0.000 0.000 0.291 203 T C -0.752 173.962 174.700 0.022 0.000 0.990 203 T CA -0.337 61.782 62.100 0.032 0.000 0.976 203 T CB 1.000 69.887 68.868 0.032 0.000 0.970 203 T HN 0.421 nan 8.240 nan 0.000 0.438 204 L N 2.659 123.916 121.223 0.057 0.000 2.439 204 L HA 0.871 5.211 4.340 -0.000 0.000 0.270 204 L C 0.456 177.417 176.870 0.151 0.000 0.972 204 L CA -0.585 54.342 54.840 0.145 0.000 0.836 204 L CB 1.935 44.130 42.059 0.226 0.000 1.255 204 L HN 0.885 nan 8.230 nan 0.000 0.404 205 G N 1.244 110.155 108.800 0.184 0.000 2.510 205 G HA2 0.622 4.582 3.960 -0.000 0.000 0.277 205 G HA3 0.622 4.582 3.960 -0.000 0.000 0.277 205 G C -0.936 174.060 174.900 0.160 0.000 1.223 205 G CA 0.139 45.333 45.100 0.156 0.000 0.887 205 G HN 0.723 nan 8.290 nan 0.000 0.485 206 G N -2.285 106.578 108.800 0.105 0.000 2.890 206 G HA2 0.609 4.568 3.960 -0.000 0.000 0.189 206 G HA3 0.609 4.568 3.960 -0.000 0.000 0.189 206 G C 0.912 175.858 174.900 0.076 0.000 1.342 206 G CA 0.322 45.477 45.100 0.092 0.000 1.026 206 G HN 2.272 nan 8.290 nan 0.000 0.579 207 G N -1.917 106.939 108.800 0.093 0.000 2.142 207 G HA2 0.152 4.112 3.960 -0.000 0.000 0.225 207 G HA3 0.152 4.112 3.960 -0.000 0.000 0.225 207 G C 1.015 176.032 174.900 0.195 0.000 1.015 207 G CA 0.958 46.138 45.100 0.133 0.000 0.716 207 G HN 1.616 nan 8.290 nan 0.000 0.508 208 A N -0.236 122.659 122.820 0.126 0.000 2.167 208 A HA 0.261 4.581 4.320 -0.000 0.000 0.214 208 A C 2.049 179.729 177.584 0.159 0.000 1.151 208 A CA 2.116 54.228 52.037 0.125 0.000 0.735 208 A CB -0.210 18.778 19.000 -0.019 0.000 0.802 208 A HN 0.676 nan 8.150 nan 0.000 0.467 209 K N -0.362 120.115 120.400 0.128 0.000 2.025 209 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 209 K C 1.798 178.458 176.600 0.100 0.000 1.049 209 K CA 1.886 58.231 56.287 0.096 0.000 0.933 209 K CB -0.427 32.119 32.500 0.076 0.000 0.714 209 K HN 0.313 nan 8.250 nan 0.000 0.438 210 T N 0.753 115.373 114.554 0.111 0.000 2.759 210 T HA -0.112 4.237 4.350 -0.000 0.000 0.269 210 T C 1.272 175.939 174.700 -0.056 0.000 1.042 210 T CA 1.296 63.415 62.100 0.031 0.000 1.140 210 T CB -0.305 68.578 68.868 0.026 0.000 0.864 210 T HN 0.201 nan 8.240 nan 0.000 0.455 211 F N 1.243 121.175 119.950 -0.030 0.000 2.583 211 F HA 0.090 4.617 4.527 -0.000 0.000 0.297 211 F C 2.130 177.903 175.800 -0.045 0.000 1.131 211 F CA 0.308 58.272 58.000 -0.060 0.000 1.467 211 F CB -0.209 38.735 39.000 -0.094 0.000 1.097 211 F HN 0.125 nan 8.300 nan 0.000 0.586 212 A N -0.830 122.051 122.820 0.101 0.000 2.337 212 A HA 0.124 4.444 4.320 -0.000 0.000 0.227 212 A C 0.728 178.327 177.584 0.026 0.000 1.259 212 A CA -0.107 51.967 52.037 0.061 0.000 0.870 212 A CB -0.438 18.593 19.000 0.051 0.000 0.927 212 A HN 0.244 nan 8.150 nan 0.000 0.497 213 E N 0.295 120.495 120.200 0.001 0.000 2.250 213 E HA 0.423 4.773 4.350 -0.000 0.000 0.265 213 E C -0.124 176.473 176.600 -0.005 0.000 1.033 213 E CA -0.285 56.111 56.400 -0.007 0.000 0.888 213 E CB 1.148 30.834 29.700 -0.024 0.000 1.151 213 E HN 0.387 nan 8.360 nan 0.000 0.412 214 T N -2.036 112.522 114.554 0.006 0.000 2.945 214 T HA 0.657 5.007 4.350 -0.000 0.000 0.286 214 T C 0.008 174.721 174.700 0.022 0.000 1.025 214 T CA -1.026 61.086 62.100 0.020 0.000 1.039 214 T CB 1.573 70.461 68.868 0.033 0.000 1.068 214 T HN 0.486 nan 8.240 nan 0.000 0.497 215 A N 1.375 124.221 122.820 0.045 0.000 2.425 215 A HA 0.489 4.809 4.320 -0.000 0.000 0.242 215 A C 1.521 179.133 177.584 0.047 0.000 1.077 215 A CA 0.062 52.132 52.037 0.056 0.000 0.781 215 A CB -0.128 18.938 19.000 0.110 0.000 1.020 215 A HN 1.218 nan 8.150 nan 0.000 0.494 216 T N -1.704 112.874 114.554 0.039 0.000 3.014 216 T HA 0.557 4.907 4.350 -0.000 0.000 0.250 216 T C 0.580 175.299 174.700 0.030 0.000 1.060 216 T CA 0.866 62.983 62.100 0.029 0.000 1.040 216 T CB -0.108 68.772 68.868 0.021 0.000 0.971 216 T HN 1.636 nan 8.240 nan 0.000 0.497 217 A N -0.242 122.602 122.820 0.040 0.000 2.535 217 A HA 0.864 5.183 4.320 -0.000 0.000 0.296 217 A C 0.482 178.096 177.584 0.051 0.000 1.248 217 A CA -0.278 51.779 52.037 0.033 0.000 0.686 217 A CB 0.621 19.637 19.000 0.027 0.000 1.315 217 A HN 1.516 nan 8.150 nan 0.000 0.460 218 G N -0.872 107.945 108.800 0.030 0.000 2.828 218 G HA2 -0.094 3.865 3.960 -0.000 0.000 0.463 218 G HA3 -0.094 3.865 3.960 -0.000 0.000 0.463 218 G C 0.530 175.410 174.900 -0.034 0.000 1.394 218 G CA 0.786 45.901 45.100 0.026 0.000 0.862 218 G HN 1.317 nan 8.290 nan 0.000 0.540 219 E N -0.862 119.239 120.200 -0.165 0.000 2.097 219 E HA -0.116 4.233 4.350 -0.000 0.000 0.196 219 E C 1.268 177.619 176.600 -0.415 0.000 1.000 219 E CA 1.921 58.048 56.400 -0.455 0.000 0.804 219 E CB -0.082 29.012 29.700 -1.010 0.000 0.740 219 E HN 0.581 nan 8.360 nan 0.000 0.454 220 W N 2.385 123.696 121.300 0.018 0.000 3.194 220 W HA 0.128 4.788 4.660 -0.000 0.000 0.408 220 W C 0.150 176.677 176.519 0.014 0.000 1.072 220 W CA -0.553 56.804 57.345 0.019 0.000 1.953 220 W CB -0.393 29.084 29.460 0.028 0.000 1.091 220 W HN 0.195 nan 8.180 nan 0.000 0.699 221 Q N -0.316 119.579 119.800 0.157 0.000 2.479 221 Q HA 0.316 4.656 4.340 -0.000 0.000 0.267 221 Q C 1.371 177.424 176.000 0.088 0.000 1.071 221 Q CA 1.330 57.197 55.803 0.106 0.000 0.935 221 Q CB 0.511 29.282 28.738 0.056 0.000 1.295 221 Q HN 0.219 nan 8.270 nan 0.000 0.476 222 G N 0.817 109.658 108.800 0.068 0.000 2.245 222 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.264 222 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.264 222 G C -0.128 174.810 174.900 0.064 0.000 0.985 222 G CA 0.778 45.910 45.100 0.054 0.000 0.625 222 G HN 0.981 nan 8.290 nan 0.000 0.536 223 K N 0.614 121.070 120.400 0.092 0.000 2.267 223 K HA 0.696 5.016 4.320 -0.000 0.000 0.246 223 K C 0.617 177.263 176.600 0.077 0.000 0.954 223 K CA -0.052 56.290 56.287 0.091 0.000 0.824 223 K CB 1.449 34.023 32.500 0.125 0.000 1.167 223 K HN 0.311 nan 8.250 nan 0.000 0.431 224 T N -0.193 114.394 114.554 0.055 0.000 2.734 224 T HA 0.055 4.405 4.350 -0.000 0.000 0.314 224 T C 1.492 176.209 174.700 0.028 0.000 1.057 224 T CA -0.593 61.530 62.100 0.039 0.000 1.047 224 T CB 0.207 69.100 68.868 0.041 0.000 0.991 224 T HN 0.595 nan 8.240 nan 0.000 0.540 225 L N -0.310 120.919 121.223 0.009 0.000 2.240 225 L HA 0.054 4.394 4.340 -0.000 0.000 0.211 225 L C 3.041 179.984 176.870 0.123 0.000 1.106 225 L CA 1.151 55.980 54.840 -0.019 0.000 0.793 225 L CB -0.753 41.190 42.059 -0.193 0.000 0.927 225 L HN 0.766 nan 8.230 nan 0.000 0.446 226 R N 0.981 121.583 120.500 0.171 0.000 2.073 226 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 226 R C 2.102 178.415 176.300 0.020 0.000 1.134 226 R CA 1.566 57.740 56.100 0.124 0.000 0.952 226 R CB -0.051 30.287 30.300 0.064 0.000 0.850 226 R HN 0.336 nan 8.270 nan 0.000 0.433 227 E N 0.198 120.410 120.200 0.021 0.000 2.031 227 E HA -0.297 4.052 4.350 -0.000 0.000 0.193 227 E C 2.071 178.655 176.600 -0.027 0.000 0.994 227 E CA 1.576 57.983 56.400 0.012 0.000 0.800 227 E CB -0.127 29.598 29.700 0.042 0.000 0.752 227 E HN 0.460 nan 8.360 nan 0.000 0.447 228 Q N 0.602 120.351 119.800 -0.085 0.000 2.096 228 Q HA -0.283 4.057 4.340 -0.000 0.000 0.208 228 Q C 2.110 177.935 176.000 -0.291 0.000 0.993 228 Q CA 1.819 57.418 55.803 -0.340 0.000 0.862 228 Q CB -0.213 28.271 28.738 -0.424 0.000 0.915 228 Q HN 0.249 nan 8.270 nan 0.000 0.416 229 A N 1.587 124.323 122.820 -0.140 0.000 1.859 229 A HA -0.342 3.978 4.320 -0.000 0.000 0.218 229 A C 2.061 179.703 177.584 0.097 0.000 1.209 229 A CA 2.433 54.433 52.037 -0.062 0.000 0.639 229 A CB -1.177 17.723 19.000 -0.167 0.000 0.835 229 A HN 0.769 nan 8.150 nan 0.000 0.450 230 Q N -0.898 118.916 119.800 0.024 0.000 2.124 230 Q HA -0.021 4.319 4.340 -0.000 0.000 0.202 230 Q C 2.116 178.141 176.000 0.040 0.000 0.977 230 Q CA 1.592 57.420 55.803 0.042 0.000 0.850 230 Q CB -0.586 28.157 28.738 0.008 0.000 0.901 230 Q HN 0.572 nan 8.270 nan 0.000 0.429 231 A N 1.902 124.737 122.820 0.025 0.000 2.019 231 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 231 A C 1.982 179.611 177.584 0.074 0.000 1.164 231 A CA 1.008 53.088 52.037 0.071 0.000 0.644 231 A CB -0.333 18.744 19.000 0.127 0.000 0.805 231 A HN 0.301 nan 8.150 nan 0.000 0.449 232 R N -1.240 119.250 120.500 -0.016 0.000 2.320 232 R HA 0.201 4.541 4.340 -0.000 0.000 0.211 232 R C 1.123 177.395 176.300 -0.047 0.000 0.931 232 R CA 0.513 56.600 56.100 -0.021 0.000 1.071 232 R CB -0.128 30.082 30.300 -0.150 0.000 1.025 232 R HN 0.676 nan 8.270 nan 0.000 0.495 233 G N 0.293 109.084 108.800 -0.015 0.000 2.157 233 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.239 233 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.239 233 G C -0.212 174.617 174.900 -0.117 0.000 0.982 233 G CA -0.374 44.683 45.100 -0.070 0.000 0.650 233 G HN 0.301 nan 8.290 nan 0.000 0.527 234 Y N 1.563 121.825 120.300 -0.063 0.000 2.425 234 Y HA 0.415 4.965 4.550 -0.000 0.000 0.331 234 Y C 1.247 177.099 175.900 -0.081 0.000 1.157 234 Y CA 0.415 58.470 58.100 -0.075 0.000 1.372 234 Y CB 0.722 39.122 38.460 -0.099 0.000 1.253 234 Y HN 0.458 nan 8.280 nan 0.000 0.536 235 Q N 3.257 123.104 119.800 0.078 0.000 2.303 235 Q HA 0.567 4.906 4.340 -0.000 0.000 0.257 235 Q C -1.584 174.405 176.000 -0.019 0.000 0.941 235 Q CA -0.597 55.213 55.803 0.012 0.000 0.931 235 Q CB 1.072 29.803 28.738 -0.011 0.000 1.215 235 Q HN 0.617 nan 8.270 nan 0.000 0.437 236 L N 2.955 124.137 121.223 -0.069 0.000 2.325 236 L HA 0.607 4.947 4.340 -0.000 0.000 0.279 236 L C -0.650 176.121 176.870 -0.165 0.000 1.054 236 L CA -1.037 53.709 54.840 -0.158 0.000 0.804 236 L CB 1.833 43.778 42.059 -0.189 0.000 1.200 236 L HN 0.512 nan 8.230 nan 0.000 0.436 237 V N 1.176 120.936 119.914 -0.257 0.000 2.569 237 V HA 0.212 4.332 4.120 -0.000 0.000 0.301 237 V C 0.372 176.171 176.094 -0.492 0.000 1.044 237 V CA -0.212 61.934 62.300 -0.257 0.000 0.874 237 V CB 1.947 33.679 31.823 -0.151 0.000 1.002 237 V HN 0.933 nan 8.190 nan 0.000 0.424 238 S N 1.749 117.266 115.700 -0.304 0.000 2.511 238 S HA 0.207 4.676 4.470 -0.000 0.000 0.214 238 S C 0.195 174.798 174.600 0.004 0.000 0.997 238 S CA 0.185 58.204 58.200 -0.302 0.000 0.908 238 S CB -0.016 63.091 63.200 -0.156 0.000 0.803 238 S HN 0.911 nan 8.310 nan 0.000 0.504 239 D N -0.652 119.860 120.400 0.187 0.000 2.592 239 D HA 0.738 5.378 4.640 -0.000 0.000 0.263 239 D C 0.815 177.341 176.300 0.376 0.000 1.132 239 D CA -0.482 53.717 54.000 0.332 0.000 0.996 239 D CB 0.929 41.810 40.800 0.135 0.000 1.442 239 D HN -0.054 nan 8.370 nan 0.000 0.486 240 A N 0.185 123.098 122.820 0.155 0.000 1.930 240 A HA 0.152 4.472 4.320 -0.000 0.000 0.217 240 A C 2.156 179.766 177.584 0.043 0.000 1.175 240 A CA 1.956 54.010 52.037 0.028 0.000 0.627 240 A CB -1.352 17.605 19.000 -0.072 0.000 0.815 240 A HN 0.692 nan 8.150 nan 0.000 0.443 241 A N 0.460 123.307 122.820 0.045 0.000 1.883 241 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 241 A C 2.446 180.051 177.584 0.036 0.000 1.186 241 A CA 2.388 54.442 52.037 0.029 0.000 0.624 241 A CB -0.988 18.026 19.000 0.023 0.000 0.822 241 A HN 0.814 nan 8.150 nan 0.000 0.444 242 S N -0.344 115.388 115.700 0.055 0.000 2.453 242 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 242 S C 1.707 176.343 174.600 0.060 0.000 1.005 242 S CA 1.042 59.268 58.200 0.043 0.000 0.949 242 S CB -0.447 62.769 63.200 0.026 0.000 0.774 242 S HN 0.457 nan 8.310 nan 0.000 0.510 243 L N 2.724 124.017 121.223 0.117 0.000 2.046 243 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 243 L C 1.580 178.484 176.870 0.057 0.000 1.077 243 L CA 1.826 56.751 54.840 0.143 0.000 0.747 243 L CB -1.101 41.089 42.059 0.219 0.000 0.896 243 L HN 0.072 nan 8.230 nan 0.000 0.432 244 N N -0.466 118.253 118.700 0.031 0.000 2.244 244 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 244 N C 1.831 177.343 175.510 0.003 0.000 1.016 244 N CA 1.337 54.390 53.050 0.005 0.000 0.866 244 N CB -0.377 38.108 38.487 -0.003 0.000 0.980 244 N HN 0.402 nan 8.380 nan 0.000 0.430 245 S N 0.053 115.758 115.700 0.008 0.000 2.400 245 S HA -0.058 4.412 4.470 -0.000 0.000 0.232 245 S C 0.794 175.393 174.600 -0.002 0.000 1.025 245 S CA 0.356 58.558 58.200 0.002 0.000 0.993 245 S CB -0.341 62.861 63.200 0.004 0.000 0.808 245 S HN 0.078 nan 8.310 nan 0.000 0.478 246 V N 3.845 123.759 119.914 0.000 0.000 2.441 246 V HA -0.004 4.116 4.120 -0.000 0.000 0.279 246 V C 1.433 177.518 176.094 -0.014 0.000 0.990 246 V CA 0.863 63.159 62.300 -0.007 0.000 1.116 246 V CB -0.495 31.326 31.823 -0.003 0.000 0.977 246 V HN 0.596 nan 8.190 nan 0.000 0.470 247 T N 0.881 115.426 114.554 -0.015 0.000 3.069 247 T HA 0.319 4.669 4.350 -0.000 0.000 0.252 247 T C 0.296 174.983 174.700 -0.023 0.000 1.053 247 T CA -0.127 61.962 62.100 -0.018 0.000 0.964 247 T CB 0.190 69.051 68.868 -0.013 0.000 1.005 247 T HN 0.672 nan 8.240 nan 0.000 0.532 248 E N 0.121 120.306 120.200 -0.025 0.000 2.321 248 E HA 0.644 4.994 4.350 -0.000 0.000 0.281 248 E C -1.748 174.833 176.600 -0.032 0.000 0.910 248 E CA -0.825 55.558 56.400 -0.028 0.000 0.770 248 E CB 2.334 32.021 29.700 -0.023 0.000 1.225 248 E HN 0.317 nan 8.360 nan 0.000 0.417 249 A N 3.309 126.106 122.820 -0.039 0.000 2.381 249 A HA 0.777 5.096 4.320 -0.000 0.000 0.299 249 A C -0.997 176.564 177.584 -0.039 0.000 1.049 249 A CA -0.638 51.375 52.037 -0.039 0.000 0.715 249 A CB 0.658 19.631 19.000 -0.044 0.000 1.222 249 A HN 0.732 nan 8.150 nan 0.000 0.428 250 N N 0.488 119.163 118.700 -0.041 0.000 3.339 250 N HA 0.193 4.933 4.740 -0.000 0.000 0.275 250 N C 0.110 175.586 175.510 -0.057 0.000 1.514 250 N CA -0.714 52.314 53.050 -0.036 0.000 0.879 250 N CB 0.335 38.805 38.487 -0.028 0.000 1.557 250 N HN 0.143 nan 8.380 nan 0.000 0.524 251 Q N -0.675 119.097 119.800 -0.048 0.000 2.364 251 Q HA -0.093 4.247 4.340 -0.000 0.000 0.209 251 Q C 0.568 176.510 176.000 -0.097 0.000 0.977 251 Q CA 1.534 57.296 55.803 -0.068 0.000 0.885 251 Q CB -0.192 28.524 28.738 -0.036 0.000 0.941 251 Q HN 0.686 nan 8.270 nan 0.000 0.464 252 Q N -0.465 119.288 119.800 -0.080 0.000 2.378 252 Q HA 0.133 4.473 4.340 -0.000 0.000 0.229 252 Q C 0.177 176.118 176.000 -0.098 0.000 0.882 252 Q CA 0.416 56.169 55.803 -0.084 0.000 0.936 252 Q CB 0.371 29.080 28.738 -0.048 0.000 1.092 252 Q HN 0.150 nan 8.270 nan 0.000 0.535 253 K N 2.467 122.815 120.400 -0.086 0.000 2.800 253 K HA 0.352 4.672 4.320 -0.000 0.000 0.185 253 K C -2.620 173.931 176.600 -0.082 0.000 1.082 253 K CA -1.509 54.733 56.287 -0.076 0.000 0.978 253 K CB 1.505 33.978 32.500 -0.046 0.000 1.364 253 K HN 0.034 nan 8.250 nan 0.000 0.592 254 P HA 0.093 nan 4.420 nan 0.000 0.285 254 P C -0.717 176.602 177.300 0.032 0.000 1.259 254 P CA -0.709 62.331 63.100 -0.100 0.000 0.794 254 P CB 0.997 32.532 31.700 -0.276 0.000 0.940 255 L N 4.923 126.179 121.223 0.055 0.000 2.292 255 L HA 0.421 4.760 4.340 -0.000 0.000 0.284 255 L C -0.721 176.188 176.870 0.064 0.000 1.065 255 L CA -0.479 54.392 54.840 0.052 0.000 0.806 255 L CB 0.493 42.557 42.059 0.009 0.000 1.175 255 L HN 0.196 nan 8.230 nan 0.000 0.431 256 L N 5.479 126.694 121.223 -0.014 0.000 2.427 256 L HA 0.676 5.016 4.340 -0.000 0.000 0.264 256 L C -0.234 176.456 176.870 -0.299 0.000 0.989 256 L CA -0.219 54.524 54.840 -0.162 0.000 0.865 256 L CB 1.050 42.931 42.059 -0.296 0.000 1.209 256 L HN 0.642 nan 8.230 nan 0.000 0.430 257 G N 5.660 114.274 108.800 -0.311 0.000 2.347 257 G HA2 0.575 4.534 3.960 -0.000 0.000 0.314 257 G HA3 0.575 4.534 3.960 -0.000 0.000 0.314 257 G C -1.041 173.433 174.900 -0.711 0.000 1.126 257 G CA -0.376 44.322 45.100 -0.670 0.000 0.929 257 G HN 0.512 nan 8.290 nan 0.000 0.441 258 L N 2.884 123.612 121.223 -0.826 0.000 2.337 258 L HA 0.349 4.689 4.340 -0.000 0.000 0.269 258 L C -0.257 176.316 176.870 -0.495 0.000 1.018 258 L CA -0.632 53.911 54.840 -0.495 0.000 0.876 258 L CB 1.068 42.853 42.059 -0.456 0.000 1.236 258 L HN 0.535 nan 8.230 nan 0.000 0.436 259 F N 1.991 121.901 119.950 -0.066 0.000 2.645 259 F HA 0.553 5.080 4.527 -0.000 0.000 0.300 259 F C 0.980 176.763 175.800 -0.028 0.000 1.115 259 F CA -0.286 57.686 58.000 -0.047 0.000 1.355 259 F CB 0.412 39.386 39.000 -0.044 0.000 1.026 259 F HN 0.476 nan 8.300 nan 0.000 0.536 260 A N -0.920 121.961 122.820 0.101 0.000 2.571 260 A HA 0.338 4.658 4.320 -0.000 0.000 0.296 260 A C -0.189 177.428 177.584 0.054 0.000 1.005 260 A CA -0.765 51.318 52.037 0.077 0.000 0.682 260 A CB 0.016 19.068 19.000 0.087 0.000 1.292 260 A HN -0.010 nan 8.150 nan 0.000 0.420 261 D N 0.437 120.866 120.400 0.049 0.000 2.077 261 D HA 0.142 4.781 4.640 -0.000 0.000 0.193 261 D C 1.696 178.039 176.300 0.072 0.000 0.989 261 D CA 2.984 57.016 54.000 0.053 0.000 0.831 261 D CB -0.009 40.817 40.800 0.043 0.000 0.979 261 D HN 0.764 nan 8.370 nan 0.000 0.449 262 G N -0.692 108.148 108.800 0.068 0.000 3.411 262 G HA2 0.103 4.062 3.960 -0.000 0.000 0.186 262 G HA3 0.103 4.062 3.960 -0.000 0.000 0.186 262 G C 0.026 174.974 174.900 0.081 0.000 1.766 262 G CA -0.305 44.845 45.100 0.083 0.000 0.971 262 G HN 0.059 nan 8.290 nan 0.000 0.590 263 N N 0.798 119.540 118.700 0.071 0.000 2.514 263 N HA 0.293 5.033 4.740 -0.000 0.000 0.277 263 N C 0.432 175.971 175.510 0.049 0.000 1.126 263 N CA -0.069 53.017 53.050 0.060 0.000 0.978 263 N CB 1.105 39.624 38.487 0.053 0.000 1.106 263 N HN 0.262 nan 8.380 nan 0.000 0.461 264 M N 2.306 121.934 119.600 0.046 0.000 2.231 264 M HA 0.056 4.535 4.480 -0.000 0.000 0.299 264 M C -1.658 174.650 176.300 0.014 0.000 1.076 264 M CA -0.558 54.763 55.300 0.035 0.000 1.152 264 M CB -0.200 32.413 32.600 0.022 0.000 1.414 264 M HN 0.297 nan 8.290 nan 0.000 0.439 265 P HA 0.138 nan 4.420 nan 0.000 0.271 265 P C -0.880 176.411 177.300 -0.015 0.000 1.216 265 P CA -0.426 62.676 63.100 0.002 0.000 0.776 265 P CB 0.243 31.948 31.700 0.009 0.000 0.881 266 V N 1.494 121.401 119.914 -0.012 0.000 2.715 266 V HA 0.207 4.327 4.120 -0.000 0.000 0.299 266 V C 1.942 178.025 176.094 -0.019 0.000 1.054 266 V CA -0.348 61.932 62.300 -0.033 0.000 1.077 266 V CB 0.316 32.122 31.823 -0.028 0.000 0.972 266 V HN 0.533 nan 8.190 nan 0.000 0.484 267 R N 1.871 122.324 120.500 -0.079 0.000 2.091 267 R HA -0.021 4.319 4.340 -0.000 0.000 0.238 267 R C -0.177 176.239 176.300 0.193 0.000 1.136 267 R CA 1.564 57.623 56.100 -0.068 0.000 0.959 267 R CB 0.123 30.222 30.300 -0.335 0.000 0.856 267 R HN 0.764 nan 8.270 nan 0.000 0.437 268 W N -0.073 121.209 121.300 -0.031 0.000 2.844 268 W HA 0.438 5.097 4.660 -0.000 0.000 0.340 268 W C -0.770 175.729 176.519 -0.034 0.000 1.093 268 W CA -1.001 56.325 57.345 -0.032 0.000 1.212 268 W CB 0.621 30.050 29.460 -0.052 0.000 1.422 268 W HN -0.117 nan 8.180 nan 0.000 0.515 269 L N 2.003 123.349 121.223 0.205 0.000 2.344 269 L HA 0.994 5.333 4.340 -0.000 0.000 0.272 269 L C 0.644 177.562 176.870 0.080 0.000 1.035 269 L CA -0.661 54.242 54.840 0.104 0.000 0.807 269 L CB 1.593 43.691 42.059 0.064 0.000 1.237 269 L HN 0.555 nan 8.230 nan 0.000 0.442 270 G N 1.308 110.140 108.800 0.053 0.000 2.411 270 G HA2 0.452 4.412 3.960 -0.000 0.000 0.295 270 G HA3 0.452 4.412 3.960 -0.000 0.000 0.295 270 G C -3.191 171.725 174.900 0.027 0.000 1.542 270 G CA -0.554 44.569 45.100 0.038 0.000 0.814 270 G HN 0.314 nan 8.290 nan 0.000 0.557 271 P HA 0.369 nan 4.420 nan 0.000 0.276 271 P C -0.410 176.895 177.300 0.008 0.000 1.261 271 P CA -0.395 62.715 63.100 0.016 0.000 0.800 271 P CB 1.276 32.988 31.700 0.019 0.000 1.066 272 K N 0.117 120.512 120.400 -0.007 0.000 2.295 272 K HA 0.412 4.732 4.320 -0.000 0.000 0.270 272 K C 0.465 177.059 176.600 -0.010 0.000 1.011 272 K CA -0.381 55.884 56.287 -0.035 0.000 0.953 272 K CB 0.419 32.892 32.500 -0.045 0.000 0.956 272 K HN 0.556 nan 8.250 nan 0.000 0.477 273 A N 1.695 124.499 122.820 -0.027 0.000 2.448 273 A HA 0.254 4.574 4.320 -0.000 0.000 0.239 273 A C 0.164 177.773 177.584 0.043 0.000 1.080 273 A CA 0.255 52.323 52.037 0.053 0.000 0.779 273 A CB 0.167 19.250 19.000 0.138 0.000 1.026 273 A HN 0.808 nan 8.150 nan 0.000 0.499 274 T N -2.299 112.303 114.554 0.080 0.000 2.792 274 T HA 0.428 4.778 4.350 -0.000 0.000 0.303 274 T C -0.752 174.017 174.700 0.116 0.000 1.310 274 T CA -0.589 61.566 62.100 0.090 0.000 1.007 274 T CB 0.408 69.322 68.868 0.075 0.000 1.335 274 T HN 0.836 nan 8.240 nan 0.000 0.504 275 Y N 2.880 123.191 120.300 0.018 0.000 2.804 275 Y HA 0.172 4.722 4.550 -0.000 0.000 0.338 275 Y C 1.073 177.007 175.900 0.056 0.000 1.252 275 Y CA 0.865 58.946 58.100 -0.030 0.000 1.576 275 Y CB -0.907 37.499 38.460 -0.090 0.000 1.223 275 Y HN 0.925 nan 8.280 nan 0.000 0.536 276 H N 2.254 120.984 119.070 -0.568 0.000 2.791 276 H HA -0.176 4.380 4.556 -0.000 0.000 0.302 276 H C 1.383 176.602 175.328 -0.182 0.000 1.198 276 H CA 0.576 56.366 56.048 -0.430 0.000 1.145 276 H CB -1.351 28.056 29.762 -0.591 0.000 1.385 276 H HN 0.872 nan 8.280 nan 0.000 0.409 277 G N 0.540 109.355 108.800 0.025 0.000 2.421 277 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 277 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 277 G C 1.635 176.549 174.900 0.024 0.000 1.143 277 G CA 0.528 45.648 45.100 0.034 0.000 0.784 277 G HN 0.621 nan 8.290 nan 0.000 0.541 278 N N 1.364 120.076 118.700 0.021 0.000 2.512 278 N HA -0.041 4.699 4.740 -0.000 0.000 0.183 278 N C 2.005 177.502 175.510 -0.022 0.000 1.073 278 N CA 1.243 54.299 53.050 0.010 0.000 0.911 278 N CB -0.184 38.313 38.487 0.017 0.000 0.964 278 N HN 0.606 nan 8.380 nan 0.000 0.447 279 I N -2.572 117.966 120.570 -0.053 0.000 3.194 279 I HA 0.161 4.331 4.170 -0.000 0.000 0.271 279 I C 0.860 176.944 176.117 -0.055 0.000 1.150 279 I CA 0.363 61.613 61.300 -0.083 0.000 1.440 279 I CB -0.182 37.714 38.000 -0.175 0.000 1.276 279 I HN -0.312 nan 8.210 nan 0.000 0.457 280 D N 1.946 122.321 120.400 -0.041 0.000 2.084 280 D HA -0.028 4.612 4.640 -0.000 0.000 0.196 280 D C 0.804 177.104 176.300 0.000 0.000 0.985 280 D CA 1.550 55.542 54.000 -0.013 0.000 0.826 280 D CB -0.077 40.730 40.800 0.012 0.000 0.978 280 D HN 0.243 nan 8.370 nan 0.000 0.456 281 K N 0.503 120.908 120.400 0.008 0.000 2.109 281 K HA 0.379 4.699 4.320 -0.000 0.000 0.243 281 K C -2.183 174.423 176.600 0.011 0.000 1.006 281 K CA -1.618 54.677 56.287 0.013 0.000 0.917 281 K CB 0.559 33.072 32.500 0.023 0.000 1.081 281 K HN -0.021 nan 8.250 nan 0.000 0.468 282 P HA 0.262 nan 4.420 nan 0.000 0.281 282 P C -1.127 176.185 177.300 0.020 0.000 1.264 282 P CA -0.646 62.461 63.100 0.012 0.000 0.824 282 P CB 1.173 32.879 31.700 0.009 0.000 1.092 283 A N 1.493 124.325 122.820 0.020 0.000 2.520 283 A HA 0.305 4.624 4.320 -0.000 0.000 0.235 283 A C 0.306 177.913 177.584 0.039 0.000 1.065 283 A CA -0.050 52.007 52.037 0.033 0.000 0.764 283 A CB -0.328 18.687 19.000 0.026 0.000 1.002 283 A HN 0.363 nan 8.150 nan 0.000 0.502 284 V N 1.245 121.196 119.914 0.062 0.000 2.850 284 V HA 0.671 4.790 4.120 -0.000 0.000 0.315 284 V C 0.339 176.492 176.094 0.099 0.000 1.064 284 V CA -0.333 62.008 62.300 0.067 0.000 0.979 284 V CB 2.013 33.881 31.823 0.075 0.000 1.039 284 V HN 0.953 nan 8.190 nan 0.000 0.452 285 T N 1.157 115.759 114.554 0.080 0.000 2.937 285 T HA 0.308 4.657 4.350 -0.000 0.000 0.297 285 T C -0.429 174.298 174.700 0.045 0.000 0.991 285 T CA -0.358 61.802 62.100 0.101 0.000 0.990 285 T CB 1.013 69.893 68.868 0.020 0.000 0.991 285 T HN 0.753 nan 8.240 nan 0.000 0.440 286 c N 2.322 120.946 118.600 0.040 0.000 2.689 286 c HA 0.638 5.207 4.570 -0.000 0.000 0.409 286 c C 1.255 175.197 174.090 -0.246 0.000 1.293 286 c CA -0.296 55.949 56.329 -0.140 0.000 2.136 286 c CB 0.084 42.406 42.510 -0.313 0.000 2.719 286 c HN 0.873 nan 8.230 nan 0.000 0.644 287 T N 2.791 117.236 114.554 -0.181 0.000 2.861 287 T HA 0.469 4.818 4.350 -0.000 0.000 0.287 287 T C -2.783 171.858 174.700 -0.098 0.000 1.003 287 T CA -1.047 60.959 62.100 -0.156 0.000 0.977 287 T CB 1.370 70.204 68.868 -0.056 0.000 0.996 287 T HN 0.372 nan 8.240 nan 0.000 0.448 288 P HA 0.177 nan 4.420 nan 0.000 0.271 288 P C -0.688 176.678 177.300 0.110 0.000 1.216 288 P CA -0.349 62.819 63.100 0.115 0.000 0.771 288 P CB 0.303 32.053 31.700 0.084 0.000 0.864 289 N N 5.456 124.249 118.700 0.154 0.000 2.406 289 N HA 0.025 4.765 4.740 -0.000 0.000 0.265 289 N C -1.293 174.255 175.510 0.062 0.000 1.203 289 N CA -1.805 51.300 53.050 0.092 0.000 0.945 289 N CB 0.015 38.553 38.487 0.086 0.000 1.165 289 N HN 0.236 nan 8.380 nan 0.000 0.485 290 P HA -0.177 nan 4.420 nan 0.000 0.221 290 P C 0.108 177.424 177.300 0.027 0.000 1.145 290 P CA 1.310 64.429 63.100 0.031 0.000 0.795 290 P CB 0.272 31.985 31.700 0.022 0.000 0.775 291 Q N -0.182 119.635 119.800 0.028 0.000 2.415 291 Q HA 0.003 4.343 4.340 -0.000 0.000 0.206 291 Q C 2.255 178.267 176.000 0.021 0.000 0.946 291 Q CA 0.009 55.826 55.803 0.023 0.000 0.951 291 Q CB -0.342 28.409 28.738 0.022 0.000 1.026 291 Q HN 0.457 nan 8.270 nan 0.000 0.510 292 R N 0.929 121.443 120.500 0.024 0.000 2.082 292 R HA -0.037 4.303 4.340 -0.000 0.000 0.228 292 R C 0.452 176.755 176.300 0.005 0.000 1.140 292 R CA 0.856 56.965 56.100 0.014 0.000 0.920 292 R CB -0.296 30.016 30.300 0.019 0.000 0.828 292 R HN 0.060 nan 8.270 nan 0.000 0.430 293 N N -1.227 117.476 118.700 0.006 0.000 5.165 293 N HA -0.132 4.607 4.740 -0.000 0.000 0.391 293 N C -1.046 174.458 175.510 -0.009 0.000 1.883 293 N CA 0.472 53.523 53.050 0.000 0.000 2.510 293 N CB -0.661 37.827 38.487 0.003 0.000 0.524 293 N HN 0.314 nan 8.380 nan 0.000 0.565 294 D N 0.065 120.462 120.400 -0.005 0.000 2.271 294 D HA 0.082 4.722 4.640 -0.000 0.000 0.206 294 D C 1.720 178.012 176.300 -0.012 0.000 0.967 294 D CA 1.727 55.721 54.000 -0.009 0.000 0.867 294 D CB 0.197 40.996 40.800 -0.002 0.000 0.960 294 D HN 0.468 nan 8.370 nan 0.000 0.509 295 S N -0.927 114.772 115.700 -0.003 0.000 2.478 295 S HA 0.062 4.532 4.470 -0.000 0.000 0.222 295 S C 0.740 175.340 174.600 -0.001 0.000 1.008 295 S CA -0.230 57.975 58.200 0.010 0.000 0.928 295 S CB 0.109 63.325 63.200 0.027 0.000 0.781 295 S HN -0.058 nan 8.310 nan 0.000 0.518 296 V N 5.303 125.198 119.914 -0.032 0.000 2.348 296 V HA 0.387 4.507 4.120 -0.000 0.000 0.270 296 V C -2.200 173.781 176.094 -0.189 0.000 1.037 296 V CA -2.256 59.990 62.300 -0.089 0.000 0.872 296 V CB 0.735 32.529 31.823 -0.049 0.000 1.002 296 V HN 0.318 nan 8.190 nan 0.000 0.464 297 P HA 0.068 nan 4.420 nan 0.000 0.265 297 P C 0.320 177.447 177.300 -0.288 0.000 1.193 297 P CA 0.169 63.050 63.100 -0.365 0.000 0.765 297 P CB 0.521 31.851 31.700 -0.616 0.000 0.823 298 T N 0.524 114.963 114.554 -0.192 0.000 2.726 298 T HA 0.039 4.389 4.350 -0.000 0.000 0.294 298 T C 1.308 175.906 174.700 -0.170 0.000 1.013 298 T CA -0.673 61.336 62.100 -0.151 0.000 0.996 298 T CB 0.251 69.054 68.868 -0.109 0.000 1.016 298 T HN 0.209 nan 8.240 nan 0.000 0.529 299 L N 1.026 122.162 121.223 -0.144 0.000 2.083 299 L HA 0.143 4.482 4.340 -0.000 0.000 0.209 299 L C 2.697 179.490 176.870 -0.129 0.000 1.083 299 L CA 2.167 56.926 54.840 -0.136 0.000 0.752 299 L CB -1.547 40.437 42.059 -0.126 0.000 0.899 299 L HN 0.914 nan 8.230 nan 0.000 0.433 300 A N -1.365 121.384 122.820 -0.119 0.000 1.969 300 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 300 A C 2.200 179.722 177.584 -0.104 0.000 1.169 300 A CA 1.561 53.536 52.037 -0.103 0.000 0.635 300 A CB -0.448 18.500 19.000 -0.087 0.000 0.810 300 A HN 0.632 nan 8.150 nan 0.000 0.445 301 Q N -0.986 118.743 119.800 -0.118 0.000 2.079 301 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 301 Q C 2.192 178.110 176.000 -0.138 0.000 0.974 301 Q CA 1.518 57.247 55.803 -0.123 0.000 0.840 301 Q CB -0.232 28.420 28.738 -0.143 0.000 0.898 301 Q HN 0.709 nan 8.270 nan 0.000 0.430 302 M N -0.307 119.196 119.600 -0.163 0.000 2.086 302 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 302 M C 2.176 178.406 176.300 -0.115 0.000 1.067 302 M CA 1.428 56.640 55.300 -0.146 0.000 1.116 302 M CB -0.424 32.086 32.600 -0.149 0.000 1.348 302 M HN 0.165 nan 8.290 nan 0.000 0.407 303 T N 0.024 114.508 114.554 -0.116 0.000 2.720 303 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 303 T C 1.374 175.994 174.700 -0.134 0.000 1.037 303 T CA 1.626 63.654 62.100 -0.119 0.000 1.144 303 T CB -0.380 68.424 68.868 -0.107 0.000 0.864 303 T HN 0.306 nan 8.240 nan 0.000 0.444 304 D N 0.523 120.853 120.400 -0.116 0.000 2.097 304 D HA -0.043 4.597 4.640 -0.000 0.000 0.197 304 D C 2.220 178.443 176.300 -0.128 0.000 0.984 304 D CA 1.003 54.936 54.000 -0.111 0.000 0.826 304 D CB -0.185 40.569 40.800 -0.078 0.000 0.973 304 D HN 0.119 nan 8.370 nan 0.000 0.460 305 K N 0.679 121.011 120.400 -0.112 0.000 2.063 305 K HA -0.042 4.278 4.320 -0.000 0.000 0.208 305 K C 1.797 178.311 176.600 -0.144 0.000 1.048 305 K CA 1.495 57.719 56.287 -0.104 0.000 0.928 305 K CB -0.653 31.803 32.500 -0.072 0.000 0.713 305 K HN 0.062 nan 8.250 nan 0.000 0.442 306 A N 0.810 123.532 122.820 -0.163 0.000 1.865 306 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 306 A C 2.272 179.628 177.584 -0.380 0.000 1.191 306 A CA 1.956 53.858 52.037 -0.224 0.000 0.623 306 A CB -0.821 18.062 19.000 -0.195 0.000 0.826 306 A HN 0.343 nan 8.150 nan 0.000 0.444 307 I N -0.430 119.897 120.570 -0.405 0.000 2.194 307 I HA -0.307 3.863 4.170 -0.000 0.000 0.246 307 I C 2.617 178.429 176.117 -0.508 0.000 1.093 307 I CA 1.944 62.882 61.300 -0.605 0.000 1.355 307 I CB -0.479 37.195 38.000 -0.542 0.000 1.046 307 I HN 0.617 nan 8.210 nan 0.000 0.413 308 E N 1.714 121.733 120.200 -0.302 0.000 2.023 308 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 308 E C 2.405 178.897 176.600 -0.180 0.000 1.003 308 E CA 1.451 57.740 56.400 -0.184 0.000 0.809 308 E CB -0.115 29.516 29.700 -0.114 0.000 0.755 308 E HN 0.452 nan 8.360 nan 0.000 0.449 309 L N 0.602 121.711 121.223 -0.190 0.000 2.079 309 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 309 L C 2.585 179.327 176.870 -0.213 0.000 1.081 309 L CA 0.895 55.639 54.840 -0.160 0.000 0.752 309 L CB -0.313 41.666 42.059 -0.134 0.000 0.896 309 L HN 0.308 nan 8.230 nan 0.000 0.433 310 L N -0.761 120.228 121.223 -0.390 0.000 2.492 310 L HA -0.040 4.300 4.340 -0.000 0.000 0.223 310 L C 2.547 179.180 176.870 -0.394 0.000 1.132 310 L CA 0.512 55.041 54.840 -0.519 0.000 0.850 310 L CB -0.316 41.122 42.059 -1.034 0.000 0.966 310 L HN 0.314 nan 8.230 nan 0.000 0.454 311 S N -0.559 114.982 115.700 -0.266 0.000 2.436 311 S HA -0.090 4.379 4.470 -0.000 0.000 0.228 311 S C 1.772 176.422 174.600 0.083 0.000 1.014 311 S CA 0.293 58.518 58.200 0.041 0.000 0.950 311 S CB -0.139 63.120 63.200 0.100 0.000 0.784 311 S HN 0.378 nan 8.310 nan 0.000 0.504 312 K N 1.878 122.285 120.400 0.011 0.000 2.152 312 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 312 K C 0.831 177.460 176.600 0.049 0.000 1.048 312 K CA 0.727 57.031 56.287 0.027 0.000 0.933 312 K CB -0.404 32.094 32.500 -0.002 0.000 0.721 312 K HN 0.320 nan 8.250 nan 0.000 0.447 313 N N 2.138 120.872 118.700 0.057 0.000 2.427 313 N HA -0.086 4.654 4.740 -0.000 0.000 0.269 313 N C 0.557 176.134 175.510 0.111 0.000 1.235 313 N CA 0.380 53.479 53.050 0.080 0.000 0.934 313 N CB 0.748 39.294 38.487 0.099 0.000 1.121 313 N HN 0.109 nan 8.380 nan 0.000 0.480 314 E N 3.639 123.888 120.200 0.082 0.000 2.070 314 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 314 E C 1.169 177.822 176.600 0.088 0.000 1.004 314 E CA 1.457 57.904 56.400 0.079 0.000 0.805 314 E CB 0.001 29.734 29.700 0.055 0.000 0.744 314 E HN 0.594 nan 8.360 nan 0.000 0.451 315 K N 0.190 120.640 120.400 0.083 0.000 2.360 315 K HA -0.067 4.253 4.320 -0.000 0.000 0.201 315 K C 0.547 177.202 176.600 0.092 0.000 1.046 315 K CA 0.943 57.276 56.287 0.076 0.000 0.945 315 K CB 0.093 32.632 32.500 0.066 0.000 0.750 315 K HN 0.278 nan 8.250 nan 0.000 0.464 316 G N -1.234 107.651 108.800 0.143 0.000 2.408 316 G HA2 0.139 4.098 3.960 -0.000 0.000 0.682 316 G HA3 0.139 4.098 3.960 -0.000 0.000 0.682 316 G C -1.077 173.984 174.900 0.268 0.000 1.303 316 G CA -0.547 44.646 45.100 0.154 0.000 0.966 316 G HN 0.408 nan 8.290 nan 0.000 0.560 317 F N -2.262 117.743 119.950 0.093 0.000 2.713 317 F HA 0.850 5.376 4.527 -0.000 0.000 0.311 317 F C -1.577 174.309 175.800 0.143 0.000 1.141 317 F CA -2.074 55.985 58.000 0.097 0.000 0.939 317 F CB 1.475 40.499 39.000 0.041 0.000 1.325 317 F HN 1.061 nan 8.300 nan 0.000 0.453 318 F N 3.915 124.076 119.950 0.351 0.000 2.507 318 F HA 0.792 5.319 4.527 -0.000 0.000 0.328 318 F C -2.109 173.871 175.800 0.301 0.000 1.136 318 F CA -1.191 56.938 58.000 0.214 0.000 0.930 318 F CB 1.702 40.767 39.000 0.109 0.000 1.166 318 F HN 0.731 nan 8.300 nan 0.000 0.436 319 L N 6.148 127.055 121.223 -0.527 0.000 2.385 319 L HA 0.537 4.876 4.340 -0.000 0.000 0.273 319 L C -1.505 174.980 176.870 -0.641 0.000 0.990 319 L CA -0.271 54.334 54.840 -0.391 0.000 0.821 319 L CB 1.956 44.004 42.059 -0.019 0.000 1.279 319 L HN 0.748 nan 8.230 nan 0.000 0.412 320 Q N 4.010 123.573 119.800 -0.395 0.000 2.325 320 Q HA 0.656 4.996 4.340 -0.000 0.000 0.270 320 Q C -1.952 173.996 176.000 -0.087 0.000 1.020 320 Q CA -0.701 54.978 55.803 -0.207 0.000 0.785 320 Q CB 1.958 30.720 28.738 0.040 0.000 1.259 320 Q HN 0.641 nan 8.270 nan 0.000 0.452 321 V N 4.038 123.893 119.914 -0.099 0.000 2.417 321 V HA 0.386 4.506 4.120 -0.000 0.000 0.291 321 V C -0.477 175.576 176.094 -0.070 0.000 1.024 321 V CA -0.613 61.639 62.300 -0.079 0.000 0.861 321 V CB 1.602 33.365 31.823 -0.100 0.000 0.985 321 V HN 0.774 nan 8.190 nan 0.000 0.436 322 E N 3.289 123.465 120.200 -0.041 0.000 2.176 322 E HA 0.546 4.895 4.350 -0.000 0.000 0.267 322 E C 0.054 176.621 176.600 -0.055 0.000 0.893 322 E CA -0.638 55.741 56.400 -0.034 0.000 0.761 322 E CB 1.815 31.529 29.700 0.023 0.000 1.133 322 E HN 0.827 nan 8.360 nan 0.000 0.409 323 G N 3.275 112.026 108.800 -0.082 0.000 2.663 323 G HA2 0.360 4.320 3.960 -0.000 0.000 0.320 323 G HA3 0.360 4.320 3.960 -0.000 0.000 0.320 323 G C 0.673 175.532 174.900 -0.068 0.000 0.937 323 G CA 0.267 45.309 45.100 -0.096 0.000 1.332 323 G HN 0.598 nan 8.290 nan 0.000 0.461 324 A N 2.367 125.164 122.820 -0.039 0.000 1.855 324 A HA -0.014 4.306 4.320 -0.000 0.000 0.215 324 A C 2.484 180.064 177.584 -0.006 0.000 1.191 324 A CA 1.882 53.915 52.037 -0.007 0.000 0.613 324 A CB -0.302 18.707 19.000 0.014 0.000 0.829 324 A HN 0.511 nan 8.150 nan 0.000 0.442 325 S N -0.077 115.606 115.700 -0.027 0.000 2.603 325 S HA 0.046 4.515 4.470 -0.000 0.000 0.229 325 S C 1.497 176.069 174.600 -0.047 0.000 0.972 325 S CA 0.586 58.769 58.200 -0.027 0.000 0.935 325 S CB -0.526 62.654 63.200 -0.034 0.000 0.769 325 S HN 0.507 nan 8.310 nan 0.000 0.536 326 I N 2.126 122.657 120.570 -0.064 0.000 2.127 326 I HA -0.251 3.918 4.170 -0.000 0.000 0.241 326 I C 2.675 178.749 176.117 -0.072 0.000 1.075 326 I CA 1.699 62.951 61.300 -0.080 0.000 1.334 326 I CB -0.351 37.597 38.000 -0.086 0.000 1.040 326 I HN 0.365 nan 8.210 nan 0.000 0.405 327 D N 1.409 121.804 120.400 -0.009 0.000 2.117 327 D HA -0.212 4.428 4.640 -0.000 0.000 0.197 327 D C 1.986 178.324 176.300 0.063 0.000 0.987 327 D CA 1.438 55.485 54.000 0.080 0.000 0.829 327 D CB 0.062 40.982 40.800 0.200 0.000 0.961 327 D HN 0.356 nan 8.370 nan 0.000 0.460 328 K N -0.269 120.165 120.400 0.057 0.000 2.057 328 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 328 K C 2.407 179.004 176.600 -0.004 0.000 1.049 328 K CA 0.863 57.182 56.287 0.054 0.000 0.931 328 K CB -0.022 32.505 32.500 0.046 0.000 0.714 328 K HN 0.145 nan 8.250 nan 0.000 0.440 329 Q N 0.934 120.707 119.800 -0.045 0.000 2.123 329 Q HA -0.118 4.222 4.340 -0.000 0.000 0.199 329 Q C 1.765 177.703 176.000 -0.104 0.000 0.966 329 Q CA 1.104 56.868 55.803 -0.065 0.000 0.845 329 Q CB -0.281 28.421 28.738 -0.060 0.000 0.907 329 Q HN 0.335 nan 8.270 nan 0.000 0.439 330 D N 1.254 121.563 120.400 -0.153 0.000 2.087 330 D HA -0.195 4.445 4.640 -0.000 0.000 0.192 330 D C 1.853 178.050 176.300 -0.172 0.000 0.993 330 D CA 1.718 55.599 54.000 -0.198 0.000 0.828 330 D CB 0.181 40.569 40.800 -0.688 0.000 0.968 330 D HN 0.463 nan 8.370 nan 0.000 0.448 331 Q N 0.135 119.857 119.800 -0.130 0.000 2.226 331 Q HA -0.031 4.309 4.340 -0.000 0.000 0.204 331 Q C 1.946 177.929 176.000 -0.029 0.000 0.975 331 Q CA 1.533 57.398 55.803 0.104 0.000 0.866 331 Q CB -0.295 28.597 28.738 0.257 0.000 0.915 331 Q HN 0.172 nan 8.270 nan 0.000 0.440 332 A N 1.209 123.977 122.820 -0.086 0.000 2.168 332 A HA 0.400 4.719 4.320 -0.000 0.000 0.215 332 A C 1.526 178.965 177.584 -0.242 0.000 1.152 332 A CA 0.695 52.664 52.037 -0.113 0.000 0.716 332 A CB -0.493 18.461 19.000 -0.077 0.000 0.794 332 A HN 0.910 nan 8.150 nan 0.000 0.465 333 A N -0.788 121.735 122.820 -0.495 0.000 2.930 333 A HA -0.161 4.159 4.320 -0.000 0.000 0.273 333 A C 0.164 177.382 177.584 -0.610 0.000 1.435 333 A CA 0.742 52.160 52.037 -1.031 0.000 0.780 333 A CB -2.437 16.161 19.000 -0.670 0.000 1.034 333 A HN 0.530 nan 8.150 nan 0.000 0.562 334 N N -0.436 118.063 118.700 -0.335 0.000 2.800 334 N HA 0.391 5.131 4.740 -0.000 0.000 0.240 334 N C -1.809 173.714 175.510 0.021 0.000 1.096 334 N CA -1.593 51.394 53.050 -0.105 0.000 0.877 334 N CB 1.063 39.506 38.487 -0.072 0.000 1.138 334 N HN 0.103 nan 8.380 nan 0.000 0.509 335 P HA -0.138 nan 4.420 nan 0.000 0.215 335 P C 1.317 178.641 177.300 0.041 0.000 1.163 335 P CA 1.236 64.421 63.100 0.142 0.000 0.894 335 P CB 0.414 32.203 31.700 0.149 0.000 0.791 336 c N -1.180 117.437 118.600 0.028 0.000 2.413 336 c HA -0.080 4.490 4.570 -0.000 0.000 0.276 336 c C 2.940 177.076 174.090 0.076 0.000 1.248 336 c CA 1.619 57.982 56.329 0.057 0.000 1.742 336 c CB -2.059 40.500 42.510 0.082 0.000 2.017 336 c HN 0.334 nan 8.230 nan 0.000 0.481 337 G N -0.905 107.914 108.800 0.031 0.000 2.421 337 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.216 337 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.216 337 G C 1.537 176.388 174.900 -0.082 0.000 1.171 337 G CA 0.972 46.063 45.100 -0.015 0.000 0.775 337 G HN 0.673 nan 8.290 nan 0.000 0.543 338 Q N -0.064 119.702 119.800 -0.057 0.000 1.948 338 Q HA -0.121 4.219 4.340 -0.000 0.000 0.205 338 Q C 2.666 178.592 176.000 -0.123 0.000 0.992 338 Q CA 1.631 57.393 55.803 -0.069 0.000 0.849 338 Q CB -0.284 28.457 28.738 0.005 0.000 0.918 338 Q HN 0.520 nan 8.270 nan 0.000 0.421 339 I N 0.453 120.960 120.570 -0.105 0.000 2.185 339 I HA -0.289 3.880 4.170 -0.000 0.000 0.246 339 I C 2.324 178.174 176.117 -0.444 0.000 1.088 339 I CA 1.273 62.483 61.300 -0.149 0.000 1.347 339 I CB -0.673 37.284 38.000 -0.072 0.000 1.041 339 I HN 0.432 nan 8.210 nan 0.000 0.415 340 G N 0.298 108.678 108.800 -0.700 0.000 2.421 340 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 340 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 340 G C 1.494 175.965 174.900 -0.715 0.000 1.171 340 G CA 0.474 44.778 45.100 -1.327 0.000 0.775 340 G HN 0.279 nan 8.290 nan 0.000 0.543 341 E N 0.628 120.572 120.200 -0.426 0.000 2.160 341 E HA -0.107 4.243 4.350 -0.000 0.000 0.195 341 E C 2.713 179.144 176.600 -0.281 0.000 0.991 341 E CA 1.446 57.670 56.400 -0.293 0.000 0.810 341 E CB -0.827 28.758 29.700 -0.192 0.000 0.742 341 E HN 0.406 nan 8.360 nan 0.000 0.466 342 T N 0.979 115.367 114.554 -0.277 0.000 2.737 342 T HA -0.075 4.274 4.350 -0.000 0.000 0.265 342 T C 2.218 176.701 174.700 -0.361 0.000 1.038 342 T CA 1.182 63.118 62.100 -0.273 0.000 1.144 342 T CB -0.357 68.398 68.868 -0.189 0.000 0.866 342 T HN -0.023 nan 8.240 nan 0.000 0.434 343 V N 2.201 121.921 119.914 -0.323 0.000 2.282 343 V HA -0.271 3.849 4.120 -0.000 0.000 0.249 343 V C 2.429 178.364 176.094 -0.265 0.000 1.057 343 V CA 2.254 64.405 62.300 -0.248 0.000 1.032 343 V CB -0.792 30.873 31.823 -0.264 0.000 0.645 343 V HN 0.505 nan 8.190 nan 0.000 0.447 344 D N -0.247 119.972 120.400 -0.300 0.000 2.133 344 D HA -0.212 4.427 4.640 -0.000 0.000 0.195 344 D C 1.882 178.053 176.300 -0.215 0.000 0.997 344 D CA 1.493 55.350 54.000 -0.239 0.000 0.840 344 D CB -0.172 40.474 40.800 -0.257 0.000 0.947 344 D HN 0.345 nan 8.370 nan 0.000 0.452 345 L N 0.059 121.133 121.223 -0.248 0.000 2.291 345 L HA 0.024 4.364 4.340 -0.000 0.000 0.214 345 L C 1.506 178.215 176.870 -0.268 0.000 1.120 345 L CA 1.576 56.275 54.840 -0.235 0.000 0.799 345 L CB -0.547 41.371 42.059 -0.234 0.000 0.925 345 L HN 0.014 nan 8.230 nan 0.000 0.446 346 D N -0.589 119.601 120.400 -0.350 0.000 2.144 346 D HA -0.216 4.423 4.640 -0.000 0.000 0.200 346 D C 1.900 178.066 176.300 -0.223 0.000 0.978 346 D CA 1.475 55.245 54.000 -0.384 0.000 0.833 346 D CB 0.096 40.559 40.800 -0.562 0.000 0.961 346 D HN 0.543 nan 8.370 nan 0.000 0.470 347 E N -0.024 120.074 120.200 -0.170 0.000 2.072 347 E HA -0.125 4.224 4.350 -0.000 0.000 0.191 347 E C 2.177 178.711 176.600 -0.111 0.000 0.985 347 E CA 0.917 57.250 56.400 -0.111 0.000 0.801 347 E CB -0.166 29.480 29.700 -0.090 0.000 0.750 347 E HN 0.370 nan 8.360 nan 0.000 0.452 348 A N 1.109 123.851 122.820 -0.130 0.000 1.902 348 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 348 A C 2.535 180.052 177.584 -0.112 0.000 1.181 348 A CA 1.131 53.097 52.037 -0.118 0.000 0.623 348 A CB -0.717 18.207 19.000 -0.127 0.000 0.818 348 A HN 0.109 nan 8.150 nan 0.000 0.443 349 V N 0.216 120.047 119.914 -0.138 0.000 2.287 349 V HA -0.360 3.760 4.120 -0.000 0.000 0.248 349 V C 2.667 178.703 176.094 -0.097 0.000 1.053 349 V CA 2.331 64.556 62.300 -0.125 0.000 1.027 349 V CB -1.022 30.703 31.823 -0.163 0.000 0.646 349 V HN 0.635 nan 8.190 nan 0.000 0.447 350 Q N -0.530 119.210 119.800 -0.101 0.000 2.061 350 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 350 Q C 2.580 178.554 176.000 -0.043 0.000 0.984 350 Q CA 1.474 57.233 55.803 -0.073 0.000 0.846 350 Q CB -0.275 28.425 28.738 -0.063 0.000 0.902 350 Q HN 0.560 nan 8.270 nan 0.000 0.421 351 R N 0.403 120.879 120.500 -0.041 0.000 2.080 351 R HA -0.128 4.211 4.340 -0.000 0.000 0.236 351 R C 2.282 178.594 176.300 0.020 0.000 1.137 351 R CA 1.368 57.459 56.100 -0.016 0.000 0.943 351 R CB -1.003 29.274 30.300 -0.039 0.000 0.846 351 R HN 0.279 nan 8.270 nan 0.000 0.431 352 A N 1.626 124.446 122.820 0.001 0.000 1.917 352 A HA -0.162 4.157 4.320 -0.000 0.000 0.219 352 A C 2.430 180.072 177.584 0.096 0.000 1.182 352 A CA 1.418 53.485 52.037 0.051 0.000 0.633 352 A CB -0.717 18.288 19.000 0.008 0.000 0.819 352 A HN 0.216 nan 8.150 nan 0.000 0.448 353 L N -1.234 119.994 121.223 0.009 0.000 2.093 353 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 353 L C 2.667 179.517 176.870 -0.034 0.000 1.085 353 L CA 1.588 56.395 54.840 -0.055 0.000 0.755 353 L CB -0.489 41.486 42.059 -0.141 0.000 0.904 353 L HN 0.545 nan 8.230 nan 0.000 0.435 354 E N -0.280 119.929 120.200 0.016 0.000 2.051 354 E HA -0.266 4.084 4.350 -0.000 0.000 0.192 354 E C 2.013 178.672 176.600 0.098 0.000 0.991 354 E CA 1.498 57.919 56.400 0.034 0.000 0.799 354 E CB -0.078 29.648 29.700 0.044 0.000 0.748 354 E HN 0.357 nan 8.360 nan 0.000 0.449 355 F N 1.184 121.138 119.950 0.006 0.000 2.031 355 F HA -0.175 4.352 4.527 -0.000 0.000 0.295 355 F C 2.154 177.986 175.800 0.053 0.000 1.133 355 F CA 1.737 59.760 58.000 0.038 0.000 1.188 355 F CB -0.694 38.346 39.000 0.067 0.000 0.974 355 F HN -0.006 nan 8.300 nan 0.000 0.473 356 A N 0.368 123.276 122.820 0.146 0.000 1.927 356 A HA -0.318 4.002 4.320 -0.000 0.000 0.220 356 A C 2.332 179.935 177.584 0.031 0.000 1.185 356 A CA 2.224 54.292 52.037 0.052 0.000 0.639 356 A CB -1.085 18.072 19.000 0.262 0.000 0.820 356 A HN 0.548 nan 8.150 nan 0.000 0.451 357 K N 0.058 120.470 120.400 0.020 0.000 2.032 357 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 357 K C 2.048 178.633 176.600 -0.026 0.000 1.048 357 K CA 2.014 58.307 56.287 0.011 0.000 0.927 357 K CB -0.148 32.304 32.500 -0.081 0.000 0.712 357 K HN 0.726 nan 8.250 nan 0.000 0.441 358 K N -0.495 119.842 120.400 -0.104 0.000 2.202 358 K HA -0.012 4.307 4.320 -0.000 0.000 0.201 358 K C 2.010 178.489 176.600 -0.201 0.000 1.051 358 K CA 0.462 56.677 56.287 -0.121 0.000 0.977 358 K CB -0.116 32.334 32.500 -0.084 0.000 0.792 358 K HN -0.006 nan 8.250 nan 0.000 0.469 359 E N 1.450 121.395 120.200 -0.425 0.000 2.038 359 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 359 E C 1.351 177.806 176.600 -0.241 0.000 1.000 359 E CA 2.187 58.307 56.400 -0.465 0.000 0.803 359 E CB -0.221 28.892 29.700 -0.979 0.000 0.750 359 E HN 0.568 nan 8.360 nan 0.000 0.448 360 G N 0.370 109.052 108.800 -0.196 0.000 2.194 360 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.236 360 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.236 360 G C 0.448 175.283 174.900 -0.109 0.000 0.987 360 G CA 0.308 45.343 45.100 -0.109 0.000 0.635 360 G HN 0.348 nan 8.290 nan 0.000 0.520 361 N N 0.858 119.487 118.700 -0.119 0.000 2.588 361 N HA 0.225 4.965 4.740 -0.000 0.000 0.298 361 N C -0.868 174.589 175.510 -0.088 0.000 1.718 361 N CA 0.082 53.075 53.050 -0.096 0.000 0.888 361 N CB 1.353 39.798 38.487 -0.070 0.000 1.389 361 N HN 0.224 nan 8.380 nan 0.000 0.491 362 T N 1.359 115.862 114.554 -0.084 0.000 2.824 362 T HA 0.319 4.669 4.350 -0.000 0.000 0.282 362 T C -0.457 174.225 174.700 -0.029 0.000 0.993 362 T CA -0.444 61.632 62.100 -0.040 0.000 0.967 362 T CB 2.094 70.989 68.868 0.045 0.000 0.960 362 T HN 0.068 nan 8.240 nan 0.000 0.441 363 L N 5.345 126.550 121.223 -0.029 0.000 2.260 363 L HA 0.638 4.978 4.340 -0.000 0.000 0.289 363 L C -0.849 176.036 176.870 0.025 0.000 1.057 363 L CA -0.221 54.609 54.840 -0.016 0.000 0.811 363 L CB 0.541 42.600 42.059 0.000 0.000 1.184 363 L HN 0.416 nan 8.230 nan 0.000 0.429 364 V N 6.975 126.939 119.914 0.083 0.000 2.435 364 V HA 0.519 4.639 4.120 -0.000 0.000 0.290 364 V C 0.142 176.255 176.094 0.031 0.000 1.030 364 V CA -0.382 61.963 62.300 0.074 0.000 0.881 364 V CB 1.580 33.485 31.823 0.137 0.000 0.983 364 V HN 0.658 nan 8.190 nan 0.000 0.445 365 I N 4.316 124.869 120.570 -0.029 0.000 2.608 365 I HA 0.630 4.800 4.170 -0.000 0.000 0.295 365 I C -1.001 175.043 176.117 -0.122 0.000 1.049 365 I CA -0.844 60.414 61.300 -0.070 0.000 1.063 365 I CB 2.451 40.400 38.000 -0.085 0.000 1.248 365 I HN 0.257 nan 8.210 nan 0.000 0.424 366 V N 4.306 124.133 119.914 -0.145 0.000 2.569 366 V HA 0.676 4.796 4.120 -0.000 0.000 0.301 366 V C -0.351 175.608 176.094 -0.225 0.000 1.044 366 V CA -0.155 62.038 62.300 -0.179 0.000 0.874 366 V CB 2.084 33.820 31.823 -0.146 0.000 1.002 366 V HN 0.910 nan 8.190 nan 0.000 0.424 367 T N 2.767 117.157 114.554 -0.273 0.000 2.649 367 T HA 0.845 5.195 4.350 -0.000 0.000 0.305 367 T C -1.395 173.142 174.700 -0.272 0.000 1.409 367 T CA 0.416 62.325 62.100 -0.319 0.000 1.021 367 T CB 1.835 70.412 68.868 -0.486 0.000 1.726 367 T HN 1.077 nan 8.240 nan 0.000 0.475 368 A N 0.377 123.059 122.820 -0.230 0.000 2.435 368 A HA 0.681 5.000 4.320 -0.000 0.000 0.296 368 A C 0.487 178.015 177.584 -0.094 0.000 1.147 368 A CA 0.039 51.965 52.037 -0.185 0.000 0.775 368 A CB 1.180 20.078 19.000 -0.170 0.000 1.340 368 A HN 0.869 nan 8.150 nan 0.000 0.427 369 D N -0.654 119.654 120.400 -0.154 0.000 2.249 369 D HA 0.099 4.739 4.640 -0.000 0.000 0.205 369 D C 0.347 176.490 176.300 -0.262 0.000 0.962 369 D CA 1.693 55.715 54.000 0.038 0.000 0.860 369 D CB -0.221 40.687 40.800 0.181 0.000 0.955 369 D HN 0.778 nan 8.370 nan 0.000 0.505 370 H N -2.617 116.311 119.070 -0.237 0.000 2.987 370 H HA 0.687 5.242 4.556 -0.000 0.000 0.316 370 H C -1.155 174.038 175.328 -0.226 0.000 1.380 370 H CA -0.867 54.851 56.048 -0.550 0.000 1.160 370 H CB 0.660 30.241 29.762 -0.302 0.000 1.865 370 H HN 0.067 nan 8.280 nan 0.000 0.521 371 A N 0.744 123.608 122.820 0.074 0.000 2.296 371 A HA 0.469 4.789 4.320 -0.000 0.000 0.264 371 A C -0.322 177.396 177.584 0.223 0.000 1.097 371 A CA -0.005 52.132 52.037 0.167 0.000 0.811 371 A CB 0.237 19.374 19.000 0.229 0.000 1.072 371 A HN 0.795 nan 8.150 nan 0.000 0.495 372 H N -1.853 117.307 119.070 0.149 0.000 3.471 372 H HA 0.631 5.187 4.556 -0.000 0.000 0.318 372 H C 1.137 176.546 175.328 0.136 0.000 1.676 372 H CA 0.199 56.339 56.048 0.153 0.000 1.293 372 H CB 1.656 31.484 29.762 0.110 0.000 1.738 372 H HN 0.592 nan 8.280 nan 0.000 0.690 373 A N 0.218 123.374 122.820 0.561 0.000 1.898 373 A HA 0.004 4.323 4.320 -0.000 0.000 0.214 373 A C 0.777 178.419 177.584 0.097 0.000 1.183 373 A CA 0.918 53.155 52.037 0.332 0.000 0.622 373 A CB -0.779 18.491 19.000 0.450 0.000 0.824 373 A HN 0.572 nan 8.150 nan 0.000 0.444 374 S N 0.324 115.998 115.700 -0.043 0.000 2.558 374 S HA 0.306 4.775 4.470 -0.000 0.000 0.293 374 S C -0.314 174.167 174.600 -0.198 0.000 1.292 374 S CA -0.128 57.844 58.200 -0.380 0.000 1.063 374 S CB 0.411 63.348 63.200 -0.438 0.000 0.831 374 S HN 0.512 nan 8.310 nan 0.000 0.499 375 Q N 1.473 121.137 119.800 -0.227 0.000 2.372 375 Q HA 0.511 4.851 4.340 -0.000 0.000 0.273 375 Q C -0.957 174.987 176.000 -0.093 0.000 1.078 375 Q CA -0.590 55.154 55.803 -0.098 0.000 0.806 375 Q CB 2.235 30.945 28.738 -0.046 0.000 1.332 375 Q HN 0.741 nan 8.270 nan 0.000 0.435 376 I N 3.202 123.747 120.570 -0.041 0.000 2.337 376 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 376 I C 0.112 176.226 176.117 -0.004 0.000 1.046 376 I CA -0.501 60.789 61.300 -0.017 0.000 1.324 376 I CB 0.487 38.490 38.000 0.005 0.000 1.409 376 I HN 0.323 nan 8.210 nan 0.000 0.494 377 V N 3.455 123.369 119.914 0.000 0.000 3.158 377 V HA 0.860 4.979 4.120 -0.000 0.000 0.315 377 V C 0.345 176.447 176.094 0.013 0.000 1.148 377 V CA -1.028 61.278 62.300 0.009 0.000 1.042 377 V CB 1.558 33.389 31.823 0.014 0.000 1.101 377 V HN 0.709 nan 8.190 nan 0.000 0.448 378 A N 1.098 123.926 122.820 0.013 0.000 2.483 378 A HA 0.506 4.826 4.320 -0.000 0.000 0.238 378 A C -1.392 176.198 177.584 0.009 0.000 1.070 378 A CA -0.459 51.584 52.037 0.010 0.000 0.770 378 A CB -0.491 18.514 19.000 0.008 0.000 1.008 378 A HN 0.856 nan 8.150 nan 0.000 0.497 379 P HA -0.118 nan 4.420 nan 0.000 0.222 379 P C 0.488 177.784 177.300 -0.006 0.000 1.147 379 P CA 1.514 64.616 63.100 0.003 0.000 0.790 379 P CB 0.098 31.798 31.700 0.001 0.000 0.780 380 D N -2.588 117.807 120.400 -0.009 0.000 2.342 380 D HA 0.006 4.646 4.640 -0.000 0.000 0.221 380 D C -0.216 176.070 176.300 -0.023 0.000 1.101 380 D CA 0.120 54.107 54.000 -0.022 0.000 0.837 380 D CB -0.578 40.210 40.800 -0.019 0.000 0.938 380 D HN 0.028 nan 8.370 nan 0.000 0.508 381 T N 1.684 116.233 114.554 -0.007 0.000 2.916 381 T HA 0.058 4.408 4.350 -0.000 0.000 0.303 381 T C 0.372 175.074 174.700 0.004 0.000 1.025 381 T CA -0.016 62.089 62.100 0.007 0.000 1.142 381 T CB 1.337 70.219 68.868 0.024 0.000 0.947 381 T HN -0.058 nan 8.240 nan 0.000 0.544 382 K N 2.647 123.063 120.400 0.026 0.000 2.334 382 K HA 0.616 4.935 4.320 -0.000 0.000 0.265 382 K C -0.366 176.338 176.600 0.174 0.000 1.039 382 K CA -0.350 55.986 56.287 0.082 0.000 0.920 382 K CB 1.536 34.073 32.500 0.062 0.000 1.160 382 K HN 0.698 nan 8.250 nan 0.000 0.451 383 A N 3.797 126.749 122.820 0.219 0.000 2.354 383 A HA 0.653 4.973 4.320 -0.000 0.000 0.321 383 A C -1.951 175.753 177.584 0.200 0.000 1.125 383 A CA -1.389 50.749 52.037 0.168 0.000 0.799 383 A CB 1.000 20.076 19.000 0.127 0.000 1.293 383 A HN 0.288 nan 8.150 nan 0.000 0.452 384 P HA 0.071 nan 4.420 nan 0.000 0.220 384 P C 1.074 178.490 177.300 0.194 0.000 1.152 384 P CA 1.437 64.643 63.100 0.177 0.000 0.812 384 P CB 0.234 31.994 31.700 0.099 0.000 0.792 385 G N -0.398 108.512 108.800 0.184 0.000 2.975 385 G HA2 0.485 4.445 3.960 -0.000 0.000 0.159 385 G HA3 0.485 4.445 3.960 -0.000 0.000 0.159 385 G C -0.802 174.234 174.900 0.227 0.000 1.525 385 G CA -0.498 44.713 45.100 0.184 0.000 1.075 385 G HN 0.033 nan 8.290 nan 0.000 0.574 386 L N 1.103 122.450 121.223 0.206 0.000 2.296 386 L HA 0.548 4.888 4.340 -0.000 0.000 0.286 386 L C 0.111 177.127 176.870 0.243 0.000 1.023 386 L CA -0.633 54.323 54.840 0.193 0.000 0.812 386 L CB 1.921 44.056 42.059 0.128 0.000 1.223 386 L HN 0.658 nan 8.230 nan 0.000 0.421 387 T N 0.039 114.699 114.554 0.177 0.000 2.901 387 T HA 0.694 5.043 4.350 -0.000 0.000 0.293 387 T C -0.915 173.866 174.700 0.134 0.000 1.084 387 T CA -0.864 61.336 62.100 0.166 0.000 1.008 387 T CB 2.543 71.478 68.868 0.111 0.000 1.170 387 T HN 0.615 nan 8.240 nan 0.000 0.509 388 Q N -0.198 119.679 119.800 0.127 0.000 2.386 388 Q HA 0.606 4.946 4.340 -0.000 0.000 0.274 388 Q C -2.143 173.911 176.000 0.090 0.000 1.011 388 Q CA -0.994 54.871 55.803 0.104 0.000 0.867 388 Q CB 2.057 30.869 28.738 0.124 0.000 1.409 388 Q HN 1.173 nan 8.270 nan 0.000 0.395 389 A N 3.771 126.634 122.820 0.072 0.000 2.288 389 A HA 0.735 5.054 4.320 -0.000 0.000 0.320 389 A C -1.302 176.335 177.584 0.089 0.000 1.217 389 A CA -0.475 51.603 52.037 0.068 0.000 0.840 389 A CB 0.488 19.514 19.000 0.044 0.000 1.179 389 A HN 0.618 nan 8.150 nan 0.000 0.504 390 L N 2.136 123.430 121.223 0.118 0.000 2.346 390 L HA 0.364 4.704 4.340 -0.000 0.000 0.274 390 L C -0.017 176.933 176.870 0.134 0.000 1.007 390 L CA -0.443 54.508 54.840 0.184 0.000 0.818 390 L CB 1.975 44.223 42.059 0.314 0.000 1.284 390 L HN 0.757 nan 8.230 nan 0.000 0.424 391 N N 0.778 119.536 118.700 0.097 0.000 2.406 391 N HA 0.255 4.995 4.740 -0.000 0.000 0.251 391 N C -0.052 175.342 175.510 -0.193 0.000 1.069 391 N CA -0.341 52.690 53.050 -0.030 0.000 0.947 391 N CB 0.934 39.395 38.487 -0.043 0.000 1.111 391 N HN 0.701 nan 8.380 nan 0.000 0.497 392 T N -1.007 113.428 114.554 -0.199 0.000 2.771 392 T HA 0.119 4.469 4.350 -0.000 0.000 0.290 392 T C 1.222 175.704 174.700 -0.363 0.000 1.005 392 T CA -0.438 61.445 62.100 -0.361 0.000 0.944 392 T CB 1.062 69.834 68.868 -0.159 0.000 1.147 392 T HN 0.366 nan 8.240 nan 0.000 0.534 393 K N -0.235 119.964 120.400 -0.335 0.000 2.211 393 K HA -0.093 4.226 4.320 -0.000 0.000 0.203 393 K C 1.047 177.561 176.600 -0.143 0.000 1.050 393 K CA 1.212 57.362 56.287 -0.227 0.000 0.945 393 K CB -0.215 32.188 32.500 -0.162 0.000 0.732 393 K HN 0.549 nan 8.250 nan 0.000 0.451 394 D N -0.032 120.296 120.400 -0.120 0.000 2.363 394 D HA -0.002 4.638 4.640 -0.000 0.000 0.226 394 D C 0.767 177.022 176.300 -0.076 0.000 1.020 394 D CA 0.923 54.875 54.000 -0.081 0.000 0.892 394 D CB 0.291 41.054 40.800 -0.062 0.000 0.900 394 D HN 0.475 nan 8.370 nan 0.000 0.531 395 G N 0.850 109.592 108.800 -0.098 0.000 2.225 395 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.267 395 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.267 395 G C 0.282 175.146 174.900 -0.059 0.000 1.024 395 G CA 0.428 45.481 45.100 -0.080 0.000 0.784 395 G HN 0.629 nan 8.290 nan 0.000 0.507 396 A N -1.352 121.434 122.820 -0.058 0.000 2.413 396 A HA 0.973 5.293 4.320 -0.000 0.000 0.307 396 A C 0.312 177.878 177.584 -0.029 0.000 1.087 396 A CA -0.003 52.013 52.037 -0.036 0.000 0.750 396 A CB 1.979 20.961 19.000 -0.030 0.000 1.296 396 A HN 1.875 nan 8.150 nan 0.000 0.423 397 V N 0.365 120.272 119.914 -0.011 0.000 2.785 397 V HA 0.795 4.915 4.120 -0.000 0.000 0.300 397 V C -0.064 176.042 176.094 0.020 0.000 1.062 397 V CA -0.566 61.738 62.300 0.007 0.000 1.029 397 V CB 1.292 33.124 31.823 0.015 0.000 1.024 397 V HN 1.093 nan 8.190 nan 0.000 0.477 398 M N 4.575 124.203 119.600 0.046 0.000 2.326 398 M HA 0.684 5.164 4.480 -0.000 0.000 0.306 398 M C -1.743 174.593 176.300 0.061 0.000 1.054 398 M CA -0.569 54.763 55.300 0.054 0.000 0.922 398 M CB 2.047 34.694 32.600 0.079 0.000 1.632 398 M HN 0.630 nan 8.290 nan 0.000 0.436 399 V N 5.841 125.781 119.914 0.044 0.000 2.394 399 V HA 0.468 4.588 4.120 -0.000 0.000 0.282 399 V C -0.233 175.881 176.094 0.033 0.000 1.031 399 V CA -0.394 61.933 62.300 0.045 0.000 0.881 399 V CB 1.542 33.385 31.823 0.034 0.000 0.982 399 V HN 0.941 nan 8.190 nan 0.000 0.451 400 M N 4.047 123.674 119.600 0.045 0.000 2.268 400 M HA 0.501 4.981 4.480 -0.000 0.000 0.344 400 M C -0.165 176.124 176.300 -0.019 0.000 1.106 400 M CA -0.007 55.285 55.300 -0.014 0.000 1.010 400 M CB 1.977 34.574 32.600 -0.005 0.000 1.649 400 M HN 0.716 nan 8.290 nan 0.000 0.443 401 S N 3.042 118.654 115.700 -0.147 0.000 2.513 401 S HA 0.707 5.177 4.470 -0.000 0.000 0.299 401 S C -1.772 172.680 174.600 -0.246 0.000 1.087 401 S CA -0.510 57.653 58.200 -0.061 0.000 1.012 401 S CB 0.938 64.140 63.200 0.004 0.000 1.044 401 S HN 0.560 nan 8.310 nan 0.000 0.485 402 Y N 1.831 122.173 120.300 0.069 0.000 2.373 402 Y HA 0.556 5.106 4.550 -0.000 0.000 0.327 402 Y C 0.777 176.725 175.900 0.080 0.000 1.036 402 Y CA -0.780 57.366 58.100 0.076 0.000 1.265 402 Y CB 1.953 40.454 38.460 0.068 0.000 1.108 402 Y HN 0.888 nan 8.280 nan 0.000 0.471 403 G N 1.705 110.615 108.800 0.183 0.000 4.716 403 G HA2 0.037 3.997 3.960 -0.000 0.000 0.282 403 G HA3 0.037 3.997 3.960 -0.000 0.000 0.282 403 G C 0.068 175.038 174.900 0.116 0.000 1.173 403 G CA -0.488 44.699 45.100 0.145 0.000 0.913 403 G HN 0.543 nan 8.290 nan 0.000 0.566 404 N N -0.835 117.943 118.700 0.130 0.000 2.200 404 N HA 0.201 4.941 4.740 -0.000 0.000 0.224 404 N C -0.227 175.337 175.510 0.091 0.000 1.179 404 N CA -0.422 52.690 53.050 0.104 0.000 0.877 404 N CB 1.030 39.584 38.487 0.112 0.000 1.072 404 N HN 0.026 nan 8.380 nan 0.000 0.519 405 S N -0.618 115.137 115.700 0.091 0.000 2.584 405 S HA 0.257 4.727 4.470 -0.000 0.000 0.280 405 S C -0.213 174.417 174.600 0.050 0.000 1.162 405 S CA -0.522 57.718 58.200 0.066 0.000 0.951 405 S CB 1.035 64.276 63.200 0.070 0.000 1.108 405 S HN 0.160 nan 8.310 nan 0.000 0.464 406 E N 1.626 121.843 120.200 0.028 0.000 2.216 406 E HA 0.015 4.365 4.350 -0.000 0.000 0.192 406 E C 0.561 177.166 176.600 0.008 0.000 0.988 406 E CA 0.457 56.863 56.400 0.010 0.000 0.834 406 E CB 0.127 29.824 29.700 -0.004 0.000 0.772 406 E HN 0.550 nan 8.360 nan 0.000 0.479 407 E N 0.730 120.938 120.200 0.013 0.000 2.901 407 E HA -0.098 4.251 4.350 -0.000 0.000 0.284 407 E C 0.574 177.181 176.600 0.012 0.000 1.473 407 E CA 0.523 56.928 56.400 0.009 0.000 1.292 407 E CB 0.249 29.955 29.700 0.011 0.000 1.013 407 E HN 0.001 nan 8.360 nan 0.000 0.654 408 D N -1.130 119.276 120.400 0.009 0.000 2.144 408 D HA -0.015 4.625 4.640 -0.000 0.000 0.200 408 D C -0.060 176.248 176.300 0.014 0.000 0.978 408 D CA 1.018 55.022 54.000 0.007 0.000 0.833 408 D CB 0.092 40.895 40.800 0.004 0.000 0.961 408 D HN 0.001 nan 8.370 nan 0.000 0.470 409 S N 0.700 116.419 115.700 0.031 0.000 2.525 409 S HA 0.294 4.764 4.470 -0.000 0.000 0.290 409 S C -0.242 174.412 174.600 0.090 0.000 1.152 409 S CA -0.952 57.283 58.200 0.059 0.000 1.072 409 S CB 1.573 64.817 63.200 0.073 0.000 1.027 409 S HN -0.011 nan 8.310 nan 0.000 0.500 410 Q N 2.350 122.231 119.800 0.135 0.000 2.288 410 Q HA 0.283 4.622 4.340 -0.000 0.000 0.254 410 Q C 0.117 176.285 176.000 0.279 0.000 0.932 410 Q CA -0.195 55.732 55.803 0.207 0.000 0.902 410 Q CB 0.582 29.478 28.738 0.264 0.000 1.203 410 Q HN 0.559 nan 8.270 nan 0.000 0.415 411 E N 1.414 121.742 120.200 0.214 0.000 2.373 411 E HA 0.131 4.481 4.350 -0.000 0.000 0.263 411 E C -0.089 176.591 176.600 0.134 0.000 1.073 411 E CA -0.169 56.314 56.400 0.139 0.000 0.894 411 E CB 0.637 30.381 29.700 0.073 0.000 1.008 411 E HN 0.454 nan 8.360 nan 0.000 0.420 412 H N -0.066 118.863 119.070 -0.234 0.000 2.671 412 H HA 0.176 4.731 4.556 -0.000 0.000 0.372 412 H C 0.579 175.841 175.328 -0.110 0.000 1.227 412 H CA -0.070 55.729 56.048 -0.416 0.000 1.426 412 H CB 0.960 30.406 29.762 -0.526 0.000 1.480 412 H HN 0.484 nan 8.280 nan 0.000 0.611 413 T N -1.979 112.658 114.554 0.138 0.000 2.858 413 T HA 0.442 4.792 4.350 -0.000 0.000 0.285 413 T C 0.840 175.690 174.700 0.249 0.000 1.052 413 T CA -0.565 61.635 62.100 0.167 0.000 1.009 413 T CB 1.595 70.557 68.868 0.157 0.000 1.241 413 T HN 0.608 nan 8.240 nan 0.000 0.542 414 G N 0.509 109.448 108.800 0.232 0.000 3.651 414 G HA2 0.377 4.337 3.960 -0.000 0.000 0.279 414 G HA3 0.377 4.337 3.960 -0.000 0.000 0.279 414 G C 0.420 175.442 174.900 0.203 0.000 1.024 414 G CA 0.032 45.301 45.100 0.282 0.000 0.813 414 G HN 1.052 nan 8.290 nan 0.000 0.518 415 S N 0.339 116.167 115.700 0.213 0.000 2.603 415 S HA 0.356 4.826 4.470 -0.000 0.000 0.268 415 S C 0.557 175.310 174.600 0.256 0.000 1.317 415 S CA -0.572 57.725 58.200 0.161 0.000 1.012 415 S CB 0.962 64.240 63.200 0.131 0.000 0.926 415 S HN 0.546 nan 8.310 nan 0.000 0.539 416 Q N 1.145 121.050 119.800 0.174 0.000 2.479 416 Q HA 0.371 4.710 4.340 -0.000 0.000 0.267 416 Q C -0.467 175.706 176.000 0.288 0.000 1.071 416 Q CA -0.476 55.478 55.803 0.251 0.000 0.935 416 Q CB -0.121 28.723 28.738 0.177 0.000 1.295 416 Q HN 0.706 nan 8.270 nan 0.000 0.476 417 L N -2.191 119.234 121.223 0.337 0.000 2.322 417 L HA 0.615 4.954 4.340 -0.000 0.000 0.252 417 L C -0.305 176.621 176.870 0.094 0.000 1.055 417 L CA -1.426 53.532 54.840 0.197 0.000 0.849 417 L CB 1.138 43.300 42.059 0.172 0.000 1.446 417 L HN 0.705 nan 8.230 nan 0.000 0.416 418 R N 0.458 120.967 120.500 0.014 0.000 2.640 418 R HA 0.532 4.871 4.340 -0.000 0.000 0.270 418 R C -1.056 175.126 176.300 -0.197 0.000 1.024 418 R CA 0.109 56.177 56.100 -0.054 0.000 1.085 418 R CB 0.316 30.592 30.300 -0.041 0.000 0.963 418 R HN 0.818 nan 8.270 nan 0.000 0.426 419 I N 2.384 122.825 120.570 -0.215 0.000 2.569 419 I HA 0.576 4.745 4.170 -0.000 0.000 0.290 419 I C -1.626 174.395 176.117 -0.160 0.000 1.088 419 I CA -0.229 60.872 61.300 -0.332 0.000 1.047 419 I CB 2.056 39.763 38.000 -0.487 0.000 1.237 419 I HN 0.747 nan 8.210 nan 0.000 0.421 420 A N 5.504 128.241 122.820 -0.137 0.000 2.515 420 A HA 1.007 5.326 4.320 -0.000 0.000 0.298 420 A C -1.375 176.183 177.584 -0.044 0.000 1.059 420 A CA -0.018 51.982 52.037 -0.062 0.000 0.698 420 A CB 1.632 20.610 19.000 -0.038 0.000 1.289 420 A HN 1.239 nan 8.150 nan 0.000 0.404 421 A N 0.205 123.028 122.820 0.005 0.000 2.552 421 A HA 0.916 5.236 4.320 -0.000 0.000 0.288 421 A C -1.672 175.980 177.584 0.114 0.000 1.193 421 A CA -0.497 51.561 52.037 0.035 0.000 0.713 421 A CB 1.329 20.336 19.000 0.012 0.000 1.305 421 A HN 2.092 nan 8.150 nan 0.000 0.424 422 Y N -0.591 119.700 120.300 -0.016 0.000 2.390 422 Y HA 0.548 5.097 4.550 -0.000 0.000 0.324 422 Y C -0.022 175.869 175.900 -0.014 0.000 1.151 422 Y CA 0.550 58.642 58.100 -0.012 0.000 1.053 422 Y CB 1.195 39.649 38.460 -0.010 0.000 1.277 422 Y HN 2.318 nan 8.280 nan 0.000 0.432 423 G N 4.957 113.279 108.800 -0.797 0.000 2.343 423 G HA2 0.018 3.978 3.960 -0.000 0.000 0.562 423 G HA3 0.018 3.978 3.960 -0.000 0.000 0.562 423 G C -3.249 171.463 174.900 -0.315 0.000 1.269 423 G CA -0.784 43.949 45.100 -0.611 0.000 1.011 423 G HN 0.527 nan 8.290 nan 0.000 0.498 424 P HA 0.164 nan 4.420 nan 0.000 0.263 424 P C 0.149 177.368 177.300 -0.134 0.000 1.195 424 P CA 1.172 64.120 63.100 -0.254 0.000 0.762 424 P CB 0.102 31.681 31.700 -0.202 0.000 0.799 425 H N 1.353 120.379 119.070 -0.074 0.000 3.642 425 H HA -0.184 4.372 4.556 -0.000 0.000 0.185 425 H C 1.376 176.681 175.328 -0.038 0.000 0.992 425 H CA 1.091 57.112 56.048 -0.045 0.000 1.216 425 H CB -2.144 27.599 29.762 -0.032 0.000 1.055 425 H HN 0.599 nan 8.280 nan 0.000 0.351 426 A N 0.903 123.738 122.820 0.024 0.000 2.125 426 A HA 0.141 4.461 4.320 -0.000 0.000 0.219 426 A C 2.537 180.135 177.584 0.023 0.000 1.156 426 A CA 1.856 53.897 52.037 0.008 0.000 0.671 426 A CB -0.525 18.450 19.000 -0.042 0.000 0.794 426 A HN 0.601 nan 8.150 nan 0.000 0.459 427 A N 0.670 123.506 122.820 0.026 0.000 1.978 427 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 427 A C 1.677 179.290 177.584 0.048 0.000 1.170 427 A CA 1.442 53.498 52.037 0.031 0.000 0.636 427 A CB -0.605 18.413 19.000 0.029 0.000 0.810 427 A HN 0.581 nan 8.150 nan 0.000 0.448 428 N N 0.140 118.880 118.700 0.066 0.000 2.666 428 N HA -0.077 4.663 4.740 -0.000 0.000 0.194 428 N C 1.285 176.839 175.510 0.074 0.000 1.220 428 N CA 1.426 54.519 53.050 0.071 0.000 0.928 428 N CB 0.203 38.737 38.487 0.078 0.000 0.997 428 N HN 0.628 nan 8.380 nan 0.000 0.447 429 V N -4.003 115.947 119.914 0.059 0.000 3.572 429 V HA 0.211 4.331 4.120 -0.000 0.000 0.260 429 V C 0.962 177.085 176.094 0.048 0.000 1.324 429 V CA -0.130 62.203 62.300 0.055 0.000 1.068 429 V CB -0.002 31.831 31.823 0.017 0.000 0.837 429 V HN -0.234 nan 8.190 nan 0.000 0.450 430 V N 2.936 122.876 119.914 0.043 0.000 2.872 430 V HA 0.559 4.679 4.120 -0.000 0.000 0.307 430 V C 1.356 177.481 176.094 0.051 0.000 1.072 430 V CA 1.358 63.682 62.300 0.040 0.000 1.148 430 V CB -0.322 31.521 31.823 0.034 0.000 0.954 430 V HN 1.215 nan 8.190 nan 0.000 0.490 431 G N 3.033 111.863 108.800 0.051 0.000 2.681 431 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.220 431 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.220 431 G C -0.882 174.065 174.900 0.078 0.000 1.353 431 G CA -0.059 45.076 45.100 0.058 0.000 0.872 431 G HN 1.282 nan 8.290 nan 0.000 0.557 432 L N 1.392 122.664 121.223 0.081 0.000 2.276 432 L HA 0.785 5.124 4.340 -0.000 0.000 0.286 432 L C 0.966 177.904 176.870 0.115 0.000 1.061 432 L CA 1.127 56.029 54.840 0.103 0.000 0.807 432 L CB 1.261 43.373 42.059 0.088 0.000 1.177 432 L HN 1.668 nan 8.230 nan 0.000 0.429 433 T N 0.317 114.965 114.554 0.157 0.000 2.787 433 T HA 0.533 4.883 4.350 -0.000 0.000 0.297 433 T C -1.030 173.763 174.700 0.156 0.000 1.221 433 T CA -0.852 61.342 62.100 0.155 0.000 1.006 433 T CB 1.284 70.255 68.868 0.171 0.000 1.328 433 T HN 0.594 nan 8.240 nan 0.000 0.509 434 D N -0.854 119.605 120.400 0.099 0.000 2.272 434 D HA 0.325 4.964 4.640 -0.000 0.000 0.247 434 D C 1.189 177.451 176.300 -0.063 0.000 0.990 434 D CA -0.613 53.375 54.000 -0.019 0.000 0.931 434 D CB 2.073 42.848 40.800 -0.043 0.000 1.195 434 D HN 0.671 nan 8.370 nan 0.000 0.477 435 Q N 0.212 119.817 119.800 -0.325 0.000 2.226 435 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 435 Q C 1.385 177.425 176.000 0.067 0.000 0.975 435 Q CA 1.891 57.506 55.803 -0.313 0.000 0.866 435 Q CB 0.032 28.515 28.738 -0.424 0.000 0.915 435 Q HN 0.735 nan 8.270 nan 0.000 0.440 436 T N -2.006 112.573 114.554 0.041 0.000 2.995 436 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 436 T C 1.169 176.091 174.700 0.370 0.000 1.091 436 T CA 0.978 63.176 62.100 0.164 0.000 1.128 436 T CB -0.128 68.791 68.868 0.084 0.000 0.891 436 T HN 0.216 nan 8.240 nan 0.000 0.492 437 D N 1.298 121.860 120.400 0.270 0.000 2.117 437 D HA -0.051 4.588 4.640 -0.000 0.000 0.197 437 D C 2.030 178.538 176.300 0.346 0.000 0.987 437 D CA 0.757 54.941 54.000 0.307 0.000 0.829 437 D CB -0.316 40.599 40.800 0.192 0.000 0.961 437 D HN 0.263 nan 8.370 nan 0.000 0.460 438 L N 0.600 122.020 121.223 0.328 0.000 2.089 438 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 438 L C 2.108 179.138 176.870 0.266 0.000 1.079 438 L CA 1.425 56.440 54.840 0.291 0.000 0.758 438 L CB -0.862 41.404 42.059 0.345 0.000 0.891 438 L HN -0.025 nan 8.230 nan 0.000 0.433 439 F N -0.900 119.149 119.950 0.165 0.000 2.075 439 F HA -0.286 4.241 4.527 -0.000 0.000 0.297 439 F C 2.103 177.848 175.800 -0.091 0.000 1.113 439 F CA 1.816 59.818 58.000 0.002 0.000 1.218 439 F CB -0.608 38.300 39.000 -0.154 0.000 0.984 439 F HN 0.134 nan 8.300 nan 0.000 0.472 440 Y N 0.089 120.496 120.300 0.178 0.000 2.352 440 Y HA -0.164 4.385 4.550 -0.000 0.000 0.292 440 Y C 2.676 178.525 175.900 -0.086 0.000 1.136 440 Y CA 1.701 59.815 58.100 0.023 0.000 1.227 440 Y CB -1.153 37.396 38.460 0.148 0.000 0.991 440 Y HN 0.050 nan 8.280 nan 0.000 0.545 441 T N -0.125 114.494 114.554 0.109 0.000 2.737 441 T HA -0.165 4.184 4.350 -0.000 0.000 0.265 441 T C 1.962 176.615 174.700 -0.078 0.000 1.038 441 T CA 1.404 63.515 62.100 0.019 0.000 1.144 441 T CB -0.244 68.667 68.868 0.071 0.000 0.866 441 T HN 0.273 nan 8.240 nan 0.000 0.434 442 M N 0.581 120.130 119.600 -0.084 0.000 2.175 442 M HA -0.070 4.409 4.480 -0.000 0.000 0.264 442 M C 2.403 178.575 176.300 -0.214 0.000 1.063 442 M CA 1.437 56.674 55.300 -0.105 0.000 1.119 442 M CB -0.359 32.208 32.600 -0.055 0.000 1.377 442 M HN 0.134 nan 8.290 nan 0.000 0.415 443 K N 0.637 120.813 120.400 -0.373 0.000 2.009 443 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 443 K C 1.976 178.446 176.600 -0.217 0.000 1.049 443 K CA 1.770 57.826 56.287 -0.385 0.000 0.929 443 K CB -0.120 32.053 32.500 -0.545 0.000 0.714 443 K HN 0.283 nan 8.250 nan 0.000 0.440 444 A N 0.651 123.358 122.820 -0.188 0.000 1.930 444 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 444 A C 2.236 179.656 177.584 -0.273 0.000 1.175 444 A CA 1.704 53.628 52.037 -0.189 0.000 0.627 444 A CB -0.627 18.259 19.000 -0.190 0.000 0.815 444 A HN 0.470 nan 8.150 nan 0.000 0.443 445 A N -0.910 121.710 122.820 -0.333 0.000 1.930 445 A HA 0.032 4.351 4.320 -0.000 0.000 0.217 445 A C 1.935 179.494 177.584 -0.041 0.000 1.175 445 A CA 1.542 53.429 52.037 -0.250 0.000 0.627 445 A CB -0.404 18.558 19.000 -0.064 0.000 0.815 445 A HN 0.415 nan 8.150 nan 0.000 0.443 446 L N -1.295 119.887 121.223 -0.068 0.000 2.478 446 L HA 0.198 4.538 4.340 -0.000 0.000 0.223 446 L C 1.858 178.707 176.870 -0.035 0.000 1.140 446 L CA 1.382 56.200 54.840 -0.036 0.000 0.842 446 L CB -0.300 41.729 42.059 -0.050 0.000 0.953 446 L HN 0.641 nan 8.230 nan 0.000 0.452 447 G N -0.973 107.793 108.800 -0.057 0.000 2.184 447 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.264 447 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.264 447 G C 0.604 175.478 174.900 -0.044 0.000 0.975 447 G CA 0.240 45.318 45.100 -0.037 0.000 0.642 447 G HN 0.228 nan 8.290 nan 0.000 0.536 448 L N 0.379 121.560 121.223 -0.069 0.000 2.628 448 L HA 0.034 4.373 4.340 -0.000 0.000 0.292 448 L C 1.141 177.978 176.870 -0.056 0.000 1.250 448 L CA 0.798 55.592 54.840 -0.076 0.000 0.892 448 L CB 0.249 42.226 42.059 -0.137 0.000 1.138 448 L HN 0.156 nan 8.230 nan 0.000 0.502 449 K N 0.000 120.382 120.400 -0.031 0.000 2.780 449 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 449 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 449 K CB 0.000 32.501 32.500 0.001 0.000 1.064 449 K HN 0.000 nan 8.250 nan 0.000 0.543