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 1elz_1_A DATA FIRST_RESID 1 DATA SEQUENCE TPEMPVLENR AAQGDITAPG GARRLTGDQT AALRDSLSDK PAKNIILLIG DATA SEQUENCE DGMGDSEITA ARNYAEGAGG FFKGIDALPL TGQYTHYALN KKTGKPDYVT DATA SEQUENCE DGAASATAWS 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 HAANPcGQIG 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 0.000 174.695 174.700 -0.008 0.000 1.109 1 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 1 T CB 0.000 68.861 68.868 -0.011 0.000 0.612 2 P HA 0.333 nan 4.420 nan 0.000 0.259 2 P C 0.381 177.700 177.300 0.033 0.000 1.480 2 P CA 0.095 63.206 63.100 0.018 0.000 0.842 2 P CB 0.016 31.719 31.700 0.004 0.000 1.513 3 E N -0.926 119.288 120.200 0.024 0.000 2.479 3 E HA 0.159 4.509 4.350 -0.001 0.000 0.193 3 E C 0.424 177.052 176.600 0.045 0.000 1.049 3 E CA 0.194 56.610 56.400 0.027 0.000 0.870 3 E CB -0.201 29.506 29.700 0.011 0.000 0.944 3 E HN 0.316 nan 8.360 nan 0.000 0.492 4 M N 2.690 122.330 119.600 0.067 0.000 2.105 4 M HA 0.216 4.696 4.480 -0.001 0.000 0.350 4 M C -2.214 174.233 176.300 0.245 0.000 1.308 4 M CA -1.786 53.577 55.300 0.104 0.000 1.108 4 M CB 0.811 33.414 32.600 0.004 0.000 1.622 4 M HN -0.186 nan 8.290 nan 0.000 0.468 5 P HA 0.252 nan 4.420 nan 0.000 0.278 5 P C -0.972 176.425 177.300 0.161 0.000 1.238 5 P CA -0.428 62.764 63.100 0.154 0.000 0.794 5 P CB 0.967 32.716 31.700 0.083 0.000 0.955 6 V N 0.572 120.459 119.914 -0.045 0.000 2.630 6 V HA 0.404 4.524 4.120 -0.001 0.000 0.305 6 V C 0.322 176.399 176.094 -0.028 0.000 1.046 6 V CA -1.290 60.892 62.300 -0.196 0.000 0.934 6 V CB 1.100 32.711 31.823 -0.354 0.000 1.003 6 V HN 0.315 nan 8.190 nan 0.000 0.451 7 L N 4.320 125.563 121.223 0.032 0.000 2.562 7 L HA 0.121 4.460 4.340 -0.001 0.000 0.271 7 L C 1.929 178.879 176.870 0.134 0.000 1.167 7 L CA -0.011 54.881 54.840 0.088 0.000 0.917 7 L CB 0.469 42.619 42.059 0.152 0.000 1.187 7 L HN 1.018 nan 8.230 nan 0.000 0.482 8 E N 3.982 124.203 120.200 0.035 0.000 1.998 8 E HA -0.193 4.157 4.350 -0.001 0.000 0.196 8 E C 0.270 176.857 176.600 -0.021 0.000 1.003 8 E CA 1.128 57.544 56.400 0.026 0.000 0.829 8 E CB -0.088 29.600 29.700 -0.021 0.000 0.777 8 E HN 0.604 nan 8.360 nan 0.000 0.460 9 N N -0.361 118.159 118.700 -0.301 0.000 2.533 9 N HA 0.182 4.922 4.740 -0.001 0.000 0.289 9 N C -0.956 174.025 175.510 -0.882 0.000 1.103 9 N CA -0.405 52.223 53.050 -0.704 0.000 0.877 9 N CB 1.231 39.537 38.487 -0.302 0.000 1.419 9 N HN -0.083 nan 8.380 nan 0.000 0.517 10 R N 1.706 121.202 120.500 -1.673 0.000 2.694 10 R HA 0.439 4.779 4.340 -0.001 0.000 0.334 10 R C -0.269 175.744 176.300 -0.480 0.000 1.143 10 R CA -0.266 55.371 56.100 -0.772 0.000 1.073 10 R CB -0.067 29.999 30.300 -0.390 0.000 1.366 10 R HN 0.560 nan 8.270 nan 0.000 0.577 11 A N 0.467 123.012 122.820 -0.458 0.000 2.287 11 A HA 0.685 5.004 4.320 -0.001 0.000 0.273 11 A C 0.131 177.647 177.584 -0.113 0.000 1.091 11 A CA -0.327 51.620 52.037 -0.149 0.000 0.817 11 A CB 0.450 19.406 19.000 -0.073 0.000 1.069 11 A HN 0.342 nan 8.150 nan 0.000 0.492 12 A N 0.202 122.987 122.820 -0.059 0.000 2.540 12 A HA 0.300 4.620 4.320 -0.001 0.000 0.239 12 A C 0.947 178.498 177.584 -0.056 0.000 1.061 12 A CA -0.127 51.880 52.037 -0.050 0.000 0.758 12 A CB 0.095 19.076 19.000 -0.032 0.000 0.991 12 A HN 0.783 nan 8.150 nan 0.000 0.502 13 Q N 1.317 121.085 119.800 -0.054 0.000 2.230 13 Q HA 0.057 4.397 4.340 -0.001 0.000 0.202 13 Q C 1.171 177.148 176.000 -0.038 0.000 0.963 13 Q CA 1.544 57.316 55.803 -0.051 0.000 0.866 13 Q CB -0.014 28.695 28.738 -0.049 0.000 0.931 13 Q HN 0.983 nan 8.270 nan 0.000 0.452 14 G N -0.360 108.421 108.800 -0.031 0.000 3.206 14 G HA2 0.017 3.977 3.960 -0.001 0.000 0.146 14 G HA3 0.017 3.977 3.960 -0.001 0.000 0.146 14 G C -1.436 173.451 174.900 -0.022 0.000 1.214 14 G CA -0.311 44.774 45.100 -0.025 0.000 1.297 14 G HN 0.100 nan 8.290 nan 0.000 0.659 15 D N 1.647 122.036 120.400 -0.019 0.000 2.365 15 D HA 0.216 4.856 4.640 -0.001 0.000 0.237 15 D C 1.939 178.229 176.300 -0.017 0.000 1.190 15 D CA -0.560 53.430 54.000 -0.017 0.000 0.867 15 D CB 0.582 41.373 40.800 -0.015 0.000 1.050 15 D HN 0.437 nan 8.370 nan 0.000 0.491 16 I N 1.371 121.930 120.570 -0.017 0.000 2.916 16 I HA -0.113 4.056 4.170 -0.001 0.000 0.267 16 I C 1.418 177.527 176.117 -0.014 0.000 1.263 16 I CA 1.114 62.405 61.300 -0.016 0.000 1.471 16 I CB -0.486 37.504 38.000 -0.016 0.000 1.089 16 I HN 0.305 nan 8.210 nan 0.000 0.468 17 T N -1.201 113.346 114.554 -0.013 0.000 3.067 17 T HA 0.442 4.791 4.350 -0.001 0.000 0.257 17 T C 0.909 175.603 174.700 -0.011 0.000 1.105 17 T CA 0.224 62.317 62.100 -0.012 0.000 1.104 17 T CB -0.146 68.715 68.868 -0.011 0.000 0.925 17 T HN 0.409 nan 8.240 nan 0.000 0.498 18 A N 2.228 125.041 122.820 -0.012 0.000 2.295 18 A HA 0.710 5.029 4.320 -0.001 0.000 0.318 18 A C -2.650 174.927 177.584 -0.012 0.000 1.134 18 A CA -2.061 49.969 52.037 -0.012 0.000 0.827 18 A CB 0.210 19.202 19.000 -0.012 0.000 1.136 18 A HN 0.229 nan 8.150 nan 0.000 0.493 19 P HA 0.257 nan 4.420 nan 0.000 0.264 19 P C 1.012 178.304 177.300 -0.013 0.000 1.193 19 P CA 1.924 65.018 63.100 -0.011 0.000 0.763 19 P CB 0.616 32.310 31.700 -0.009 0.000 0.810 20 G N 2.824 111.616 108.800 -0.013 0.000 2.189 20 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.267 20 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.267 20 G C 1.222 176.111 174.900 -0.019 0.000 0.975 20 G CA 0.409 45.499 45.100 -0.016 0.000 0.644 20 G HN 0.748 nan 8.290 nan 0.000 0.537 21 G N -0.076 108.713 108.800 -0.018 0.000 2.572 21 G HA2 0.372 4.332 3.960 -0.001 0.000 0.216 21 G HA3 0.372 4.332 3.960 -0.001 0.000 0.216 21 G C 1.583 176.470 174.900 -0.023 0.000 1.133 21 G CA 1.771 46.858 45.100 -0.020 0.000 0.791 21 G HN 1.498 nan 8.290 nan 0.000 0.538 22 A N 0.066 122.873 122.820 -0.021 0.000 2.238 22 A HA 0.388 4.707 4.320 -0.001 0.000 0.210 22 A C 1.365 178.934 177.584 -0.025 0.000 1.179 22 A CA -0.412 51.612 52.037 -0.021 0.000 0.827 22 A CB 0.027 19.017 19.000 -0.015 0.000 0.856 22 A HN 0.296 nan 8.150 nan 0.000 0.488 23 R N -0.302 120.181 120.500 -0.027 0.000 2.698 23 R HA 0.177 4.517 4.340 -0.001 0.000 0.266 23 R C 0.674 176.946 176.300 -0.046 0.000 1.026 23 R CA 0.289 56.370 56.100 -0.032 0.000 1.102 23 R CB 0.328 30.610 30.300 -0.031 0.000 0.978 23 R HN 0.341 nan 8.270 nan 0.000 0.436 24 R N 1.202 121.671 120.500 -0.051 0.000 2.316 24 R HA 0.228 4.567 4.340 -0.001 0.000 0.201 24 R C 0.078 176.323 176.300 -0.092 0.000 0.888 24 R CA 0.059 56.111 56.100 -0.080 0.000 1.041 24 R CB 0.472 30.732 30.300 -0.066 0.000 1.115 24 R HN 0.380 nan 8.270 nan 0.000 0.559 25 L N 0.635 121.821 121.223 -0.062 0.000 2.343 25 L HA 0.254 4.594 4.340 -0.001 0.000 0.275 25 L C 1.257 178.096 176.870 -0.051 0.000 1.056 25 L CA -0.227 54.580 54.840 -0.055 0.000 0.804 25 L CB 1.864 43.902 42.059 -0.035 0.000 1.203 25 L HN 0.149 nan 8.230 nan 0.000 0.440 26 T N -2.240 112.284 114.554 -0.050 0.000 3.034 26 T HA 0.298 4.648 4.350 -0.001 0.000 0.248 26 T C 0.659 175.341 174.700 -0.030 0.000 1.040 26 T CA 0.343 62.417 62.100 -0.042 0.000 1.107 26 T CB 0.676 69.517 68.868 -0.046 0.000 0.932 26 T HN 0.699 nan 8.240 nan 0.000 0.474 27 G N 0.285 109.069 108.800 -0.027 0.000 3.003 27 G HA2 0.530 4.490 3.960 -0.001 0.000 0.243 27 G HA3 0.530 4.490 3.960 -0.001 0.000 0.243 27 G C -1.913 172.978 174.900 -0.015 0.000 1.176 27 G CA -0.607 44.482 45.100 -0.019 0.000 0.812 27 G HN 0.222 nan 8.290 nan 0.000 0.584 28 D N -1.212 119.181 120.400 -0.011 0.000 2.225 28 D HA 0.533 5.173 4.640 -0.001 0.000 0.249 28 D C 0.585 176.882 176.300 -0.006 0.000 1.052 28 D CA -0.221 53.775 54.000 -0.007 0.000 0.909 28 D CB 1.820 42.617 40.800 -0.005 0.000 1.186 28 D HN 0.113 nan 8.370 nan 0.000 0.431 29 Q N 0.478 120.276 119.800 -0.003 0.000 2.282 29 Q HA 0.128 4.468 4.340 -0.001 0.000 0.206 29 Q C 1.467 177.469 176.000 0.004 0.000 0.878 29 Q CA 0.201 56.004 55.803 0.001 0.000 0.944 29 Q CB 0.505 29.246 28.738 0.004 0.000 1.100 29 Q HN 0.527 nan 8.270 nan 0.000 0.509 30 T N 0.106 114.662 114.554 0.003 0.000 2.653 30 T HA -0.272 4.078 4.350 -0.001 0.000 0.268 30 T C 1.709 176.411 174.700 0.003 0.000 1.035 30 T CA 1.635 63.737 62.100 0.003 0.000 1.154 30 T CB -0.215 68.653 68.868 0.001 0.000 0.862 30 T HN 0.442 nan 8.240 nan 0.000 0.441 31 A N 1.378 124.200 122.820 0.002 0.000 1.840 31 A HA 0.300 4.620 4.320 -0.001 0.000 0.214 31 A C 2.711 180.299 177.584 0.006 0.000 1.198 31 A CA 1.692 53.731 52.037 0.003 0.000 0.608 31 A CB -1.320 17.681 19.000 0.001 0.000 0.839 31 A HN 0.495 nan 8.150 nan 0.000 0.443 32 A N -0.713 122.112 122.820 0.009 0.000 1.958 32 A HA -0.161 4.159 4.320 -0.001 0.000 0.221 32 A C 2.166 179.763 177.584 0.022 0.000 1.178 32 A CA 1.916 53.963 52.037 0.017 0.000 0.642 32 A CB -0.632 18.378 19.000 0.017 0.000 0.816 32 A HN 0.511 nan 8.150 nan 0.000 0.453 33 L N -0.745 120.488 121.223 0.017 0.000 2.072 33 L HA -0.095 4.245 4.340 -0.001 0.000 0.205 33 L C 2.654 179.530 176.870 0.010 0.000 1.079 33 L CA 1.533 56.384 54.840 0.018 0.000 0.752 33 L CB -0.327 41.741 42.059 0.015 0.000 0.906 33 L HN 0.316 nan 8.230 nan 0.000 0.436 34 R N -0.384 120.119 120.500 0.005 0.000 2.105 34 R HA -0.170 4.170 4.340 -0.001 0.000 0.239 34 R C 1.445 177.742 176.300 -0.005 0.000 1.135 34 R CA 1.545 57.644 56.100 -0.002 0.000 0.967 34 R CB -0.543 29.755 30.300 -0.003 0.000 0.861 34 R HN 0.445 nan 8.270 nan 0.000 0.442 35 D N -0.372 120.029 120.400 0.002 0.000 2.371 35 D HA -0.015 4.625 4.640 -0.001 0.000 0.221 35 D C 1.075 177.376 176.300 0.001 0.000 0.986 35 D CA 0.782 54.783 54.000 0.002 0.000 0.899 35 D CB 0.275 41.082 40.800 0.012 0.000 0.902 35 D HN 0.075 nan 8.370 nan 0.000 0.530 36 S N -0.242 115.460 115.700 0.004 0.000 2.517 36 S HA 0.150 4.620 4.470 -0.001 0.000 0.214 36 S C 0.984 175.556 174.600 -0.046 0.000 0.991 36 S CA -0.238 57.960 58.200 -0.003 0.000 0.906 36 S CB 0.766 63.990 63.200 0.039 0.000 0.789 36 S HN 0.178 nan 8.310 nan 0.000 0.513 37 L N 2.104 123.303 121.223 -0.040 0.000 2.319 37 L HA 0.510 4.849 4.340 -0.001 0.000 0.280 37 L C 0.130 176.951 176.870 -0.081 0.000 1.099 37 L CA -0.172 54.633 54.840 -0.058 0.000 0.828 37 L CB 1.129 43.164 42.059 -0.040 0.000 1.150 37 L HN 0.042 nan 8.230 nan 0.000 0.442 38 S N 1.305 116.933 115.700 -0.120 0.000 2.584 38 S HA 0.191 4.660 4.470 -0.001 0.000 0.280 38 S C -0.480 173.966 174.600 -0.256 0.000 1.162 38 S CA -0.831 57.280 58.200 -0.148 0.000 0.951 38 S CB 1.193 64.315 63.200 -0.129 0.000 1.108 38 S HN 0.749 nan 8.310 nan 0.000 0.464 39 D N 3.218 123.455 120.400 -0.272 0.000 2.427 39 D HA 0.173 4.813 4.640 -0.001 0.000 0.224 39 D C -0.063 176.021 176.300 -0.361 0.000 1.157 39 D CA -0.335 53.377 54.000 -0.479 0.000 0.828 39 D CB 0.021 40.648 40.800 -0.290 0.000 0.974 39 D HN 0.402 nan 8.370 nan 0.000 0.498 40 K N 2.038 122.314 120.400 -0.207 0.000 2.295 40 K HA 0.233 4.553 4.320 -0.001 0.000 0.270 40 K C -2.234 174.393 176.600 0.045 0.000 1.011 40 K CA -1.447 54.803 56.287 -0.062 0.000 0.953 40 K CB 0.474 32.944 32.500 -0.050 0.000 0.956 40 K HN 0.105 nan 8.250 nan 0.000 0.477 41 P HA 0.002 nan 4.420 nan 0.000 0.271 41 P C -1.083 176.273 177.300 0.092 0.000 1.216 41 P CA -0.205 62.998 63.100 0.172 0.000 0.771 41 P CB 0.965 32.714 31.700 0.082 0.000 0.864 42 A N 3.605 126.472 122.820 0.079 0.000 2.366 42 A HA 0.150 4.470 4.320 -0.001 0.000 0.272 42 A C 1.389 178.955 177.584 -0.030 0.000 1.135 42 A CA -0.398 51.647 52.037 0.013 0.000 0.804 42 A CB 0.065 19.060 19.000 -0.008 0.000 1.064 42 A HN 0.649 nan 8.150 nan 0.000 0.499 43 K N 1.536 121.912 120.400 -0.041 0.000 2.211 43 K HA 0.022 4.341 4.320 -0.001 0.000 0.201 43 K C -0.158 176.364 176.600 -0.130 0.000 1.052 43 K CA 0.719 56.974 56.287 -0.053 0.000 0.973 43 K CB 0.041 32.526 32.500 -0.024 0.000 0.766 43 K HN 0.782 nan 8.250 nan 0.000 0.466 44 N N 0.137 118.717 118.700 -0.200 0.000 2.321 44 N HA 0.385 5.125 4.740 -0.001 0.000 0.290 44 N C -1.264 174.072 175.510 -0.291 0.000 1.212 44 N CA -0.491 52.283 53.050 -0.461 0.000 0.767 44 N CB 2.079 40.074 38.487 -0.821 0.000 1.494 44 N HN -0.023 nan 8.380 nan 0.000 0.479 45 I N 1.759 122.147 120.570 -0.304 0.000 2.548 45 I HA 0.409 4.578 4.170 -0.001 0.000 0.287 45 I C -0.873 175.151 176.117 -0.155 0.000 1.103 45 I CA -0.455 60.780 61.300 -0.108 0.000 1.049 45 I CB 1.991 40.039 38.000 0.082 0.000 1.232 45 I HN 0.278 nan 8.210 nan 0.000 0.429 46 I N 6.852 127.363 120.570 -0.099 0.000 2.389 46 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 46 I C -0.974 175.070 176.117 -0.121 0.000 0.999 46 I CA -0.770 60.463 61.300 -0.112 0.000 1.129 46 I CB 2.111 40.100 38.000 -0.019 0.000 1.288 46 I HN 0.285 nan 8.210 nan 0.000 0.444 47 L N 8.281 129.390 121.223 -0.190 0.000 2.316 47 L HA 0.501 4.841 4.340 -0.001 0.000 0.280 47 L C -1.191 175.571 176.870 -0.181 0.000 1.006 47 L CA -0.289 54.454 54.840 -0.162 0.000 0.836 47 L CB 0.988 42.974 42.059 -0.123 0.000 1.221 47 L HN 0.381 nan 8.230 nan 0.000 0.418 48 L N 6.408 127.526 121.223 -0.174 0.000 2.272 48 L HA 0.499 4.838 4.340 -0.001 0.000 0.289 48 L C -0.423 176.316 176.870 -0.219 0.000 1.032 48 L CA -0.373 54.365 54.840 -0.171 0.000 0.810 48 L CB 1.579 43.550 42.059 -0.147 0.000 1.205 48 L HN 0.498 nan 8.230 nan 0.000 0.422 49 I N 2.509 122.952 120.570 -0.211 0.000 2.433 49 I HA 0.417 4.586 4.170 -0.001 0.000 0.292 49 I C 0.597 176.616 176.117 -0.163 0.000 1.001 49 I CA -0.348 60.807 61.300 -0.241 0.000 1.119 49 I CB 1.955 39.794 38.000 -0.268 0.000 1.289 49 I HN 0.571 nan 8.210 nan 0.000 0.438 50 G N 4.714 113.409 108.800 -0.176 0.000 2.468 50 G HA2 0.168 4.128 3.960 -0.001 0.000 0.320 50 G HA3 0.168 4.128 3.960 -0.001 0.000 0.320 50 G C -0.312 174.500 174.900 -0.146 0.000 1.137 50 G CA -0.364 44.642 45.100 -0.156 0.000 0.984 50 G HN 0.600 nan 8.290 nan 0.000 0.462 51 D N 2.088 122.432 120.400 -0.094 0.000 2.389 51 D HA 0.267 4.906 4.640 -0.001 0.000 0.263 51 D C 1.427 177.631 176.300 -0.160 0.000 1.255 51 D CA 1.720 55.667 54.000 -0.088 0.000 0.914 51 D CB 0.653 41.474 40.800 0.036 0.000 1.116 51 D HN 0.829 nan 8.370 nan 0.000 0.502 52 G N 4.176 112.746 108.800 -0.383 0.000 2.136 52 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.242 52 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.242 52 G C 0.604 175.388 174.900 -0.194 0.000 0.989 52 G CA 0.270 45.152 45.100 -0.363 0.000 0.682 52 G HN 0.576 nan 8.290 nan 0.000 0.522 53 M N 2.155 121.634 119.600 -0.201 0.000 3.011 53 M HA 0.464 4.944 4.480 -0.001 0.000 0.292 53 M C 1.112 177.343 176.300 -0.115 0.000 1.440 53 M CA 0.474 55.686 55.300 -0.147 0.000 1.552 53 M CB -0.522 31.980 32.600 -0.163 0.000 1.187 53 M HN 0.290 nan 8.290 nan 0.000 0.520 54 G N 1.953 110.710 108.800 -0.072 0.000 2.616 54 G HA2 0.096 4.055 3.960 -0.001 0.000 0.268 54 G HA3 0.096 4.055 3.960 -0.001 0.000 0.268 54 G C -0.043 174.849 174.900 -0.013 0.000 1.213 54 G CA -0.484 44.602 45.100 -0.023 0.000 0.926 54 G HN 0.729 nan 8.290 nan 0.000 0.523 55 D N -0.797 119.610 120.400 0.011 0.000 2.182 55 D HA -0.141 4.499 4.640 -0.001 0.000 0.201 55 D C 2.509 178.822 176.300 0.020 0.000 0.986 55 D CA 1.658 55.668 54.000 0.017 0.000 0.847 55 D CB 0.184 41.002 40.800 0.030 0.000 0.942 55 D HN 0.286 nan 8.370 nan 0.000 0.467 56 S N -0.121 115.589 115.700 0.017 0.000 2.368 56 S HA -0.191 4.278 4.470 -0.001 0.000 0.225 56 S C 1.758 176.358 174.600 0.001 0.000 1.030 56 S CA 1.097 59.303 58.200 0.008 0.000 0.999 56 S CB -0.093 63.106 63.200 -0.001 0.000 0.844 56 S HN 0.069 nan 8.310 nan 0.000 0.459 57 E N 1.132 121.324 120.200 -0.013 0.000 2.110 57 E HA 0.021 4.371 4.350 -0.001 0.000 0.193 57 E C 1.867 178.466 176.600 -0.002 0.000 0.988 57 E CA 1.059 57.443 56.400 -0.027 0.000 0.804 57 E CB -0.265 29.399 29.700 -0.060 0.000 0.745 57 E HN 0.602 nan 8.360 nan 0.000 0.458 58 I N 0.290 120.867 120.570 0.011 0.000 2.439 58 I HA -0.205 3.965 4.170 -0.001 0.000 0.251 58 I C 1.755 177.967 176.117 0.159 0.000 1.139 58 I CA 1.162 62.501 61.300 0.066 0.000 1.438 58 I CB -0.353 37.672 38.000 0.042 0.000 1.085 58 I HN 0.115 nan 8.210 nan 0.000 0.427 59 T N 0.821 115.433 114.554 0.096 0.000 2.812 59 T HA -0.016 4.333 4.350 -0.001 0.000 0.264 59 T C 2.108 176.864 174.700 0.093 0.000 1.042 59 T CA 1.242 63.395 62.100 0.089 0.000 1.140 59 T CB -0.182 68.718 68.868 0.053 0.000 0.870 59 T HN 0.425 nan 8.240 nan 0.000 0.445 60 A N 1.514 124.383 122.820 0.082 0.000 1.930 60 A HA 0.258 4.578 4.320 -0.001 0.000 0.217 60 A C 2.631 180.303 177.584 0.146 0.000 1.175 60 A CA 1.628 53.720 52.037 0.092 0.000 0.627 60 A CB -1.050 17.982 19.000 0.053 0.000 0.815 60 A HN 0.484 nan 8.150 nan 0.000 0.443 61 A N -0.346 122.571 122.820 0.162 0.000 1.902 61 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 61 A C 2.279 180.049 177.584 0.310 0.000 1.181 61 A CA 1.697 53.882 52.037 0.246 0.000 0.623 61 A CB -0.489 18.654 19.000 0.238 0.000 0.818 61 A HN 0.529 nan 8.150 nan 0.000 0.443 62 R N -0.463 120.159 120.500 0.204 0.000 2.062 62 R HA -0.150 4.190 4.340 -0.001 0.000 0.231 62 R C 1.906 178.168 176.300 -0.063 0.000 1.136 62 R CA 1.608 57.583 56.100 -0.207 0.000 0.948 62 R CB -0.367 29.792 30.300 -0.234 0.000 0.845 62 R HN 0.504 nan 8.270 nan 0.000 0.430 63 N N -0.018 118.702 118.700 0.034 0.000 2.091 63 N HA -0.242 4.498 4.740 -0.001 0.000 0.193 63 N C 1.437 176.999 175.510 0.086 0.000 1.021 63 N CA 1.553 54.632 53.050 0.047 0.000 0.862 63 N CB -0.555 37.975 38.487 0.071 0.000 1.018 63 N HN 0.324 nan 8.380 nan 0.000 0.429 64 Y N 0.688 121.016 120.300 0.047 0.000 2.153 64 Y HA 0.119 4.669 4.550 -0.001 0.000 0.289 64 Y C 2.231 178.188 175.900 0.096 0.000 1.119 64 Y CA 1.663 59.815 58.100 0.087 0.000 1.116 64 Y CB -0.670 37.882 38.460 0.152 0.000 1.004 64 Y HN 0.046 nan 8.280 nan 0.000 0.501 65 A N -0.323 122.780 122.820 0.471 0.000 2.014 65 A HA -0.042 4.278 4.320 -0.001 0.000 0.218 65 A C 1.700 179.327 177.584 0.072 0.000 1.163 65 A CA 1.746 53.994 52.037 0.352 0.000 0.652 65 A CB -0.245 19.027 19.000 0.454 0.000 0.808 65 A HN 0.557 nan 8.150 nan 0.000 0.449 66 E N -1.386 118.781 120.200 -0.056 0.000 2.601 66 E HA 0.317 4.667 4.350 -0.001 0.000 0.219 66 E C 0.687 177.232 176.600 -0.093 0.000 0.964 66 E CA 0.524 56.853 56.400 -0.118 0.000 1.050 66 E CB 0.385 29.920 29.700 -0.275 0.000 1.068 66 E HN 0.696 nan 8.360 nan 0.000 0.496 67 G N 1.517 110.271 108.800 -0.076 0.000 2.731 67 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.686 67 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.686 67 G C 0.936 175.806 174.900 -0.050 0.000 1.395 67 G CA -0.001 45.063 45.100 -0.060 0.000 0.870 67 G HN 0.226 nan 8.290 nan 0.000 0.591 68 A N 0.876 123.678 122.820 -0.030 0.000 1.909 68 A HA 0.038 4.357 4.320 -0.001 0.000 0.221 68 A C 2.762 180.334 177.584 -0.020 0.000 1.223 68 A CA 2.969 54.995 52.037 -0.019 0.000 0.658 68 A CB -0.843 18.151 19.000 -0.010 0.000 0.831 68 A HN 2.534 nan 8.150 nan 0.000 0.462 69 G N -0.912 107.875 108.800 -0.022 0.000 3.210 69 G HA2 0.415 4.375 3.960 -0.001 0.000 0.220 69 G HA3 0.415 4.375 3.960 -0.001 0.000 0.220 69 G C 0.684 175.577 174.900 -0.011 0.000 1.200 69 G CA 0.634 45.724 45.100 -0.016 0.000 0.834 69 G HN 0.794 nan 8.290 nan 0.000 0.524 70 G N -0.390 108.395 108.800 -0.026 0.000 2.553 70 G HA2 0.459 4.418 3.960 -0.001 0.000 0.278 70 G HA3 0.459 4.418 3.960 -0.001 0.000 0.278 70 G C -0.999 173.937 174.900 0.059 0.000 1.349 70 G CA -0.640 44.446 45.100 -0.023 0.000 1.037 70 G HN 0.392 nan 8.290 nan 0.000 0.508 71 F N -1.266 118.572 119.950 -0.187 0.000 2.623 71 F HA 0.513 5.039 4.527 -0.001 0.000 0.323 71 F C -1.783 173.931 175.800 -0.143 0.000 1.158 71 F CA -1.706 56.212 58.000 -0.136 0.000 1.030 71 F CB 1.070 40.035 39.000 -0.059 0.000 1.280 71 F HN 0.281 nan 8.300 nan 0.000 0.474 72 F N 6.470 126.145 119.950 -0.458 0.000 2.471 72 F HA 0.315 4.842 4.527 -0.001 0.000 0.365 72 F C 1.586 176.863 175.800 -0.872 0.000 1.095 72 F CA 0.003 57.718 58.000 -0.474 0.000 1.174 72 F CB 1.085 39.918 39.000 -0.278 0.000 1.105 72 F HN 0.620 nan 8.300 nan 0.000 0.535 73 K N 2.042 122.188 120.400 -0.423 0.000 2.211 73 K HA -0.144 4.176 4.320 -0.001 0.000 0.204 73 K C 1.845 178.276 176.600 -0.282 0.000 1.047 73 K CA 1.307 57.344 56.287 -0.415 0.000 0.935 73 K CB -0.028 32.398 32.500 -0.124 0.000 0.728 73 K HN 0.894 nan 8.250 nan 0.000 0.452 74 G N 0.443 109.127 108.800 -0.193 0.000 2.805 74 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.214 74 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.214 74 G C 1.350 176.155 174.900 -0.159 0.000 1.220 74 G CA -0.211 44.796 45.100 -0.155 0.000 0.854 74 G HN 0.049 nan 8.290 nan 0.000 0.623 75 I N 1.581 122.041 120.570 -0.184 0.000 2.236 75 I HA -0.182 3.987 4.170 -0.001 0.000 0.249 75 I C 1.554 177.631 176.117 -0.068 0.000 1.102 75 I CA 1.412 62.606 61.300 -0.177 0.000 1.365 75 I CB -0.022 37.761 38.000 -0.361 0.000 1.051 75 I HN 0.117 nan 8.210 nan 0.000 0.420 76 D N 0.383 120.753 120.400 -0.050 0.000 2.360 76 D HA 0.132 4.771 4.640 -0.001 0.000 0.210 76 D C 1.636 178.010 176.300 0.122 0.000 1.047 76 D CA 0.459 54.480 54.000 0.036 0.000 0.854 76 D CB 0.366 41.230 40.800 0.107 0.000 0.936 76 D HN 0.255 nan 8.370 nan 0.000 0.514 77 A N 0.479 123.302 122.820 0.004 0.000 2.327 77 A HA 0.193 4.513 4.320 -0.001 0.000 0.228 77 A C 0.557 178.172 177.584 0.052 0.000 1.275 77 A CA -0.115 52.002 52.037 0.133 0.000 0.875 77 A CB -0.521 18.528 19.000 0.082 0.000 0.925 77 A HN 0.090 nan 8.150 nan 0.000 0.493 78 L N 1.100 122.351 121.223 0.048 0.000 2.255 78 L HA 0.271 4.610 4.340 -0.001 0.000 0.289 78 L C -1.004 175.921 176.870 0.092 0.000 1.046 78 L CA -1.703 53.173 54.840 0.060 0.000 0.816 78 L CB 1.292 43.380 42.059 0.049 0.000 1.197 78 L HN 0.138 nan 8.230 nan 0.000 0.427 79 P HA -0.195 nan 4.420 nan 0.000 0.217 79 P C 0.206 177.555 177.300 0.082 0.000 1.151 79 P CA 1.318 64.484 63.100 0.109 0.000 0.849 79 P CB 0.324 32.114 31.700 0.151 0.000 0.787 80 L N 0.208 121.480 121.223 0.081 0.000 2.296 80 L HA 0.397 4.736 4.340 -0.001 0.000 0.286 80 L C 0.550 177.440 176.870 0.033 0.000 1.023 80 L CA -0.391 54.479 54.840 0.050 0.000 0.812 80 L CB 1.799 43.883 42.059 0.042 0.000 1.223 80 L HN -0.043 nan 8.230 nan 0.000 0.421 81 T N -0.426 114.143 114.554 0.025 0.000 2.906 81 T HA 0.945 5.295 4.350 -0.001 0.000 0.295 81 T C -0.223 174.484 174.700 0.011 0.000 1.075 81 T CA -0.629 61.477 62.100 0.010 0.000 1.005 81 T CB 2.336 71.213 68.868 0.015 0.000 1.136 81 T HN 0.735 nan 8.240 nan 0.000 0.498 82 G N 0.103 108.901 108.800 -0.003 0.000 2.682 82 G HA2 0.599 4.559 3.960 -0.001 0.000 0.303 82 G HA3 0.599 4.559 3.960 -0.001 0.000 0.303 82 G C -2.218 172.688 174.900 0.009 0.000 1.341 82 G CA -0.927 44.181 45.100 0.015 0.000 0.784 82 G HN 0.737 nan 8.290 nan 0.000 0.497 83 Q N -0.540 119.291 119.800 0.052 0.000 2.356 83 Q HA 0.624 4.964 4.340 -0.001 0.000 0.270 83 Q C -1.329 174.789 176.000 0.196 0.000 1.058 83 Q CA -0.809 55.048 55.803 0.090 0.000 0.802 83 Q CB 2.569 31.364 28.738 0.095 0.000 1.303 83 Q HN 0.729 nan 8.270 nan 0.000 0.444 84 Y N -1.412 118.941 120.300 0.088 0.000 2.536 84 Y HA 0.843 5.392 4.550 -0.001 0.000 0.347 84 Y C -0.681 175.289 175.900 0.115 0.000 1.000 84 Y CA -1.894 56.266 58.100 0.099 0.000 1.051 84 Y CB 0.645 39.165 38.460 0.100 0.000 1.259 84 Y HN 0.577 nan 8.280 nan 0.000 0.468 85 T N 0.087 114.697 114.554 0.093 0.000 2.875 85 T HA 0.484 4.833 4.350 -0.001 0.000 0.284 85 T C -0.595 173.918 174.700 -0.311 0.000 0.995 85 T CA -0.266 61.779 62.100 -0.091 0.000 1.060 85 T CB 0.607 69.504 68.868 0.049 0.000 0.967 85 T HN 0.970 nan 8.240 nan 0.000 0.476 86 H N -0.289 118.700 119.070 -0.136 0.000 2.665 86 H HA 0.315 4.870 4.556 -0.001 0.000 0.248 86 H C -0.332 174.911 175.328 -0.141 0.000 1.175 86 H CA -1.204 54.708 56.048 -0.226 0.000 0.952 86 H CB -1.298 28.397 29.762 -0.112 0.000 1.883 86 H HN 0.717 nan 8.280 nan 0.000 0.623 87 Y N 0.456 120.723 120.300 -0.056 0.000 2.683 87 Y HA 0.517 5.066 4.550 -0.001 0.000 0.340 87 Y C 0.441 176.336 175.900 -0.009 0.000 1.245 87 Y CA -0.739 57.361 58.100 -0.001 0.000 1.485 87 Y CB 0.364 38.819 38.460 -0.008 0.000 1.328 87 Y HN 0.330 nan 8.280 nan 0.000 0.603 88 A N 3.802 126.698 122.820 0.127 0.000 2.580 88 A HA 0.825 5.144 4.320 -0.001 0.000 0.275 88 A C -0.962 176.674 177.584 0.087 0.000 1.321 88 A CA -1.120 50.942 52.037 0.042 0.000 0.924 88 A CB 0.618 19.629 19.000 0.018 0.000 1.512 88 A HN 0.822 nan 8.150 nan 0.000 0.492 89 L N 0.681 121.928 121.223 0.041 0.000 2.381 89 L HA 0.345 4.685 4.340 -0.001 0.000 0.268 89 L C -0.246 176.645 176.870 0.035 0.000 0.997 89 L CA -0.868 53.992 54.840 0.034 0.000 0.818 89 L CB 1.803 43.882 42.059 0.034 0.000 1.310 89 L HN 0.803 nan 8.230 nan 0.000 0.416 90 N N 2.155 120.850 118.700 -0.009 0.000 2.470 90 N HA -0.023 4.717 4.740 -0.001 0.000 0.268 90 N C 0.614 176.115 175.510 -0.014 0.000 1.136 90 N CA 0.006 53.048 53.050 -0.012 0.000 0.961 90 N CB 1.629 40.090 38.487 -0.044 0.000 1.067 90 N HN 0.591 nan 8.380 nan 0.000 0.468 91 K N 4.929 125.306 120.400 -0.037 0.000 2.034 91 K HA -0.209 4.111 4.320 -0.001 0.000 0.214 91 K C 1.253 177.775 176.600 -0.130 0.000 1.051 91 K CA 1.913 58.098 56.287 -0.170 0.000 0.931 91 K CB 0.081 32.347 32.500 -0.390 0.000 0.715 91 K HN 0.584 nan 8.250 nan 0.000 0.446 92 K N -1.044 119.299 120.400 -0.096 0.000 1.965 92 K HA -0.086 4.234 4.320 -0.001 0.000 0.214 92 K C 2.383 178.963 176.600 -0.034 0.000 1.042 92 K CA 1.813 58.064 56.287 -0.061 0.000 0.950 92 K CB -0.863 31.606 32.500 -0.051 0.000 0.733 92 K HN 0.167 nan 8.250 nan 0.000 0.441 93 T N -0.609 113.927 114.554 -0.030 0.000 2.962 93 T HA -0.037 4.313 4.350 -0.001 0.000 0.270 93 T C 1.222 175.912 174.700 -0.017 0.000 1.088 93 T CA 1.305 63.393 62.100 -0.020 0.000 1.127 93 T CB -0.631 68.223 68.868 -0.023 0.000 0.883 93 T HN 0.614 nan 8.240 nan 0.000 0.493 94 G N 1.342 110.129 108.800 -0.023 0.000 2.166 94 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.260 94 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.260 94 G C 0.134 175.020 174.900 -0.023 0.000 0.986 94 G CA 0.769 45.857 45.100 -0.020 0.000 0.683 94 G HN 0.578 nan 8.290 nan 0.000 0.527 95 K N 0.318 120.693 120.400 -0.041 0.000 2.127 95 K HA 0.495 4.815 4.320 -0.001 0.000 0.240 95 K C -2.386 174.143 176.600 -0.118 0.000 1.024 95 K CA -1.898 54.347 56.287 -0.071 0.000 0.918 95 K CB 0.625 33.082 32.500 -0.073 0.000 1.108 95 K HN 0.011 nan 8.250 nan 0.000 0.485 96 P HA 0.042 nan 4.420 nan 0.000 0.278 96 P C -1.276 175.714 177.300 -0.517 0.000 1.238 96 P CA -0.078 62.821 63.100 -0.336 0.000 0.794 96 P CB 0.543 31.881 31.700 -0.603 0.000 0.955 97 D N 1.465 121.665 120.400 -0.332 0.000 2.440 97 D HA 0.133 4.773 4.640 -0.001 0.000 0.239 97 D C 0.255 176.424 176.300 -0.218 0.000 1.084 97 D CA -0.494 53.334 54.000 -0.288 0.000 0.843 97 D CB 0.523 41.273 40.800 -0.083 0.000 1.097 97 D HN 0.242 nan 8.370 nan 0.000 0.531 98 Y N 1.586 121.929 120.300 0.071 0.000 2.384 98 Y HA -0.037 4.513 4.550 -0.001 0.000 0.289 98 Y C 1.003 176.975 175.900 0.120 0.000 1.152 98 Y CA 0.412 58.564 58.100 0.086 0.000 1.258 98 Y CB 0.036 38.518 38.460 0.036 0.000 0.979 98 Y HN 0.137 nan 8.280 nan 0.000 0.549 99 V N 0.296 120.328 119.914 0.197 0.000 2.349 99 V HA 0.235 4.355 4.120 -0.001 0.000 0.284 99 V C 0.233 176.394 176.094 0.113 0.000 1.014 99 V CA -1.027 61.380 62.300 0.179 0.000 0.826 99 V CB 1.203 33.112 31.823 0.144 0.000 1.009 99 V HN 0.089 nan 8.190 nan 0.000 0.431 100 T N 2.943 117.586 114.554 0.147 0.000 2.816 100 T HA 0.370 4.720 4.350 -0.001 0.000 0.282 100 T C -0.209 174.491 174.700 0.001 0.000 0.993 100 T CA -0.335 61.810 62.100 0.076 0.000 0.994 100 T CB 1.145 70.082 68.868 0.116 0.000 1.025 100 T HN 0.917 nan 8.240 nan 0.000 0.529 101 D N 0.147 120.531 120.400 -0.026 0.000 2.616 101 D HA 0.362 5.002 4.640 -0.001 0.000 0.260 101 D C 1.489 177.818 176.300 0.047 0.000 1.158 101 D CA -0.141 53.834 54.000 -0.042 0.000 1.085 101 D CB 0.463 41.220 40.800 -0.070 0.000 1.222 101 D HN 0.646 nan 8.370 nan 0.000 0.626 102 G N -0.610 108.271 108.800 0.135 0.000 2.432 102 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.219 102 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.219 102 G C 1.391 176.309 174.900 0.029 0.000 1.135 102 G CA 1.381 46.587 45.100 0.176 0.000 0.767 102 G HN 0.625 nan 8.290 nan 0.000 0.550 103 A N 0.970 123.770 122.820 -0.033 0.000 1.898 103 A HA 0.455 4.775 4.320 -0.001 0.000 0.214 103 A C 2.753 180.219 177.584 -0.197 0.000 1.183 103 A CA 1.870 53.832 52.037 -0.124 0.000 0.622 103 A CB -0.633 18.300 19.000 -0.112 0.000 0.824 103 A HN 0.663 nan 8.150 nan 0.000 0.444 104 A N 0.316 123.037 122.820 -0.165 0.000 1.968 104 A HA -0.016 4.303 4.320 -0.001 0.000 0.217 104 A C 2.450 179.925 177.584 -0.182 0.000 1.169 104 A CA 2.057 53.978 52.037 -0.194 0.000 0.638 104 A CB -0.740 18.175 19.000 -0.142 0.000 0.812 104 A HN 0.794 nan 8.150 nan 0.000 0.446 105 S N 0.218 115.847 115.700 -0.118 0.000 2.377 105 S HA 0.128 4.598 4.470 -0.001 0.000 0.223 105 S C 2.153 176.558 174.600 -0.325 0.000 1.030 105 S CA 1.017 59.177 58.200 -0.067 0.000 0.970 105 S CB -0.698 62.583 63.200 0.136 0.000 0.830 105 S HN 0.786 nan 8.310 nan 0.000 0.473 106 A N 2.064 124.519 122.820 -0.608 0.000 1.902 106 A HA -0.050 4.269 4.320 -0.001 0.000 0.217 106 A C 2.404 179.304 177.584 -1.141 0.000 1.181 106 A CA 2.136 53.282 52.037 -1.484 0.000 0.623 106 A CB -1.732 16.778 19.000 -0.817 0.000 0.818 106 A HN 0.538 nan 8.150 nan 0.000 0.443 107 T N 0.428 114.620 114.554 -0.603 0.000 2.684 107 T HA -0.085 4.264 4.350 -0.001 0.000 0.267 107 T C 2.237 176.703 174.700 -0.391 0.000 1.036 107 T CA 1.779 63.616 62.100 -0.438 0.000 1.148 107 T CB -0.561 68.109 68.868 -0.329 0.000 0.863 107 T HN 0.633 nan 8.240 nan 0.000 0.436 108 A N 1.545 124.171 122.820 -0.324 0.000 1.892 108 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 108 A C 2.166 179.715 177.584 -0.059 0.000 1.188 108 A CA 2.142 54.063 52.037 -0.193 0.000 0.631 108 A CB -1.219 17.699 19.000 -0.136 0.000 0.822 108 A HN 0.883 nan 8.150 nan 0.000 0.447 109 W N -0.092 121.219 121.300 0.018 0.000 2.584 109 W HA 0.146 4.806 4.660 -0.001 0.000 0.264 109 W C 1.669 178.295 176.519 0.178 0.000 1.264 109 W CA 0.738 58.151 57.345 0.113 0.000 1.306 109 W CB -0.870 28.673 29.460 0.139 0.000 1.110 109 W HN 0.143 nan 8.180 nan 0.000 0.606 110 S N 0.449 116.079 115.700 -0.117 0.000 2.377 110 S HA -0.136 4.334 4.470 -0.001 0.000 0.223 110 S C 1.899 176.573 174.600 0.122 0.000 1.030 110 S CA 2.105 60.323 58.200 0.029 0.000 0.970 110 S CB -0.578 62.496 63.200 -0.211 0.000 0.830 110 S HN 0.544 nan 8.310 nan 0.000 0.473 111 T N -2.839 111.544 114.554 -0.284 0.000 3.038 111 T HA 0.453 4.803 4.350 -0.001 0.000 0.244 111 T C 1.440 175.237 174.700 -1.506 0.000 1.016 111 T CA 0.881 62.551 62.100 -0.717 0.000 1.098 111 T CB 0.236 68.871 68.868 -0.389 0.000 0.954 111 T HN 0.584 nan 8.240 nan 0.000 0.469 112 G N 0.653 108.943 108.800 -0.850 0.000 2.134 112 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.209 112 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.209 112 G C -0.074 174.667 174.900 -0.265 0.000 0.993 112 G CA -0.022 44.735 45.100 -0.572 0.000 0.669 112 G HN 1.246 nan 8.290 nan 0.000 0.519 113 V N 0.348 120.064 119.914 -0.331 0.000 2.686 113 V HA 0.704 4.823 4.120 -0.001 0.000 0.306 113 V C 0.072 176.029 176.094 -0.229 0.000 1.065 113 V CA -1.248 60.886 62.300 -0.277 0.000 0.894 113 V CB 1.627 33.172 31.823 -0.464 0.000 1.004 113 V HN 0.207 nan 8.190 nan 0.000 0.424 114 K N 2.876 123.176 120.400 -0.167 0.000 2.230 114 K HA 0.477 4.797 4.320 -0.001 0.000 0.253 114 K C 0.008 176.521 176.600 -0.145 0.000 1.008 114 K CA 0.097 56.294 56.287 -0.151 0.000 0.910 114 K CB 1.226 33.664 32.500 -0.103 0.000 0.994 114 K HN 0.905 nan 8.250 nan 0.000 0.495 115 T N -0.448 114.024 114.554 -0.136 0.000 2.693 115 T HA 0.403 4.753 4.350 -0.001 0.000 0.304 115 T C -1.638 173.000 174.700 -0.104 0.000 1.471 115 T CA -0.820 61.198 62.100 -0.138 0.000 0.993 115 T CB 0.307 69.016 68.868 -0.266 0.000 1.554 115 T HN 0.411 nan 8.240 nan 0.000 0.496 116 Y N 1.138 121.395 120.300 -0.072 0.000 2.320 116 Y HA 0.686 5.235 4.550 -0.001 0.000 0.324 116 Y C 0.450 176.319 175.900 -0.053 0.000 1.190 116 Y CA -1.384 56.681 58.100 -0.057 0.000 1.215 116 Y CB 0.024 38.453 38.460 -0.052 0.000 1.221 116 Y HN 0.397 nan 8.280 nan 0.000 0.486 117 N N 1.665 120.375 118.700 0.017 0.000 2.359 117 N HA 0.259 4.999 4.740 -0.001 0.000 0.261 117 N C 1.079 176.574 175.510 -0.024 0.000 1.267 117 N CA 1.462 54.491 53.050 -0.036 0.000 0.864 117 N CB 0.798 39.287 38.487 0.004 0.000 1.063 117 N HN 1.122 nan 8.380 nan 0.000 0.474 118 G N -0.116 108.623 108.800 -0.101 0.000 2.259 118 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.217 118 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.217 118 G C 0.187 174.996 174.900 -0.153 0.000 1.001 118 G CA 0.086 45.150 45.100 -0.059 0.000 0.627 118 G HN 0.898 nan 8.290 nan 0.000 0.501 119 A N 0.277 122.842 122.820 -0.425 0.000 2.371 119 A HA 0.765 5.085 4.320 -0.001 0.000 0.257 119 A C 0.034 177.434 177.584 -0.306 0.000 1.089 119 A CA 0.205 51.940 52.037 -0.503 0.000 0.794 119 A CB 0.521 18.884 19.000 -1.061 0.000 1.029 119 A HN 0.921 nan 8.150 nan 0.000 0.488 120 L N 2.320 123.415 121.223 -0.213 0.000 2.442 120 L HA 0.519 4.858 4.340 -0.001 0.000 0.261 120 L C 0.950 177.696 176.870 -0.207 0.000 1.000 120 L CA 0.348 55.065 54.840 -0.204 0.000 0.882 120 L CB 1.369 43.331 42.059 -0.162 0.000 1.207 120 L HN 1.253 nan 8.230 nan 0.000 0.443 121 G N 2.482 111.148 108.800 -0.222 0.000 2.136 121 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.242 121 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.242 121 G C -0.199 174.759 174.900 0.097 0.000 0.989 121 G CA 0.160 45.160 45.100 -0.168 0.000 0.682 121 G HN 0.676 nan 8.290 nan 0.000 0.522 122 V N -2.310 117.618 119.914 0.024 0.000 3.007 122 V HA 0.854 4.973 4.120 -0.001 0.000 0.311 122 V C 0.095 176.223 176.094 0.057 0.000 1.120 122 V CA -0.505 61.862 62.300 0.112 0.000 0.980 122 V CB 2.064 33.948 31.823 0.102 0.000 1.033 122 V HN 0.394 nan 8.190 nan 0.000 0.429 123 D N 2.856 123.354 120.400 0.163 0.000 2.440 123 D HA 0.214 4.853 4.640 -0.001 0.000 0.269 123 D C 1.482 177.848 176.300 0.109 0.000 1.249 123 D CA -0.078 53.957 54.000 0.058 0.000 1.055 123 D CB 0.493 41.339 40.800 0.077 0.000 1.104 123 D HN 0.826 nan 8.370 nan 0.000 0.561 124 I N -3.006 117.575 120.570 0.019 0.000 2.756 124 I HA -0.159 4.011 4.170 -0.001 0.000 0.262 124 I C 1.051 177.170 176.117 0.004 0.000 1.225 124 I CA 0.975 62.336 61.300 0.100 0.000 1.472 124 I CB -0.546 37.426 38.000 -0.047 0.000 1.094 124 I HN 0.200 nan 8.210 nan 0.000 0.454 125 H N 1.877 121.021 119.070 0.124 0.000 2.548 125 H HA 0.170 4.725 4.556 -0.001 0.000 0.268 125 H C 0.462 175.837 175.328 0.078 0.000 0.975 125 H CA 0.632 56.722 56.048 0.071 0.000 1.195 125 H CB 0.021 29.818 29.762 0.059 0.000 1.397 125 H HN 0.560 nan 8.280 nan 0.000 0.572 126 E N -0.684 119.646 120.200 0.217 0.000 4.027 126 E HA -0.138 4.212 4.350 -0.001 0.000 0.338 126 E C -0.386 176.284 176.600 0.118 0.000 0.738 126 E CA 0.170 56.674 56.400 0.174 0.000 1.334 126 E CB -1.128 28.652 29.700 0.133 0.000 1.687 126 E HN 0.154 nan 8.360 nan 0.000 0.407 127 K N 2.069 122.542 120.400 0.122 0.000 2.234 127 K HA 0.235 4.554 4.320 -0.001 0.000 0.282 127 K C -0.267 176.308 176.600 -0.041 0.000 1.039 127 K CA -0.287 56.004 56.287 0.006 0.000 0.928 127 K CB 0.593 33.077 32.500 -0.026 0.000 1.039 127 K HN 0.011 nan 8.250 nan 0.000 0.470 128 D N 1.834 122.161 120.400 -0.121 0.000 2.368 128 D HA 0.123 4.763 4.640 -0.001 0.000 0.240 128 D C -0.071 176.056 176.300 -0.288 0.000 1.169 128 D CA 0.460 54.404 54.000 -0.094 0.000 0.906 128 D CB 0.411 41.056 40.800 -0.258 0.000 1.187 128 D HN 0.367 nan 8.370 nan 0.000 0.435 129 H N -0.188 118.901 119.070 0.031 0.000 2.996 129 H HA 0.286 4.841 4.556 -0.001 0.000 0.368 129 H C -2.412 172.956 175.328 0.066 0.000 1.185 129 H CA -1.416 54.626 56.048 -0.009 0.000 1.160 129 H CB 2.283 32.008 29.762 -0.061 0.000 1.820 129 H HN 0.225 nan 8.280 nan 0.000 0.547 130 P HA -0.005 nan 4.420 nan 0.000 0.271 130 P C 0.242 177.628 177.300 0.143 0.000 1.216 130 P CA -0.165 63.020 63.100 0.142 0.000 0.771 130 P CB 0.916 32.665 31.700 0.082 0.000 0.864 131 T N -0.097 114.546 114.554 0.148 0.000 2.874 131 T HA 0.171 4.520 4.350 -0.001 0.000 0.281 131 T C 1.228 175.982 174.700 0.089 0.000 0.994 131 T CA -0.612 61.543 62.100 0.091 0.000 1.015 131 T CB 0.507 69.388 68.868 0.021 0.000 1.028 131 T HN 0.178 nan 8.240 nan 0.000 0.523 132 I N 0.850 121.444 120.570 0.041 0.000 2.493 132 I HA 0.069 4.239 4.170 -0.001 0.000 0.254 132 I C 1.995 177.869 176.117 -0.404 0.000 1.160 132 I CA 0.866 62.028 61.300 -0.231 0.000 1.445 132 I CB -0.613 37.118 38.000 -0.448 0.000 1.086 132 I HN 0.783 nan 8.210 nan 0.000 0.433 133 L N -0.067 120.997 121.223 -0.265 0.000 2.109 133 L HA -0.152 4.188 4.340 -0.001 0.000 0.207 133 L C 2.319 179.172 176.870 -0.028 0.000 1.086 133 L CA 1.460 56.228 54.840 -0.120 0.000 0.760 133 L CB -0.381 41.745 42.059 0.112 0.000 0.910 133 L HN 0.232 nan 8.230 nan 0.000 0.437 134 E N -0.505 119.695 120.200 -0.000 0.000 2.072 134 E HA -0.237 4.112 4.350 -0.001 0.000 0.191 134 E C 2.178 178.782 176.600 0.007 0.000 0.985 134 E CA 1.619 58.039 56.400 0.033 0.000 0.801 134 E CB -0.175 29.570 29.700 0.074 0.000 0.750 134 E HN 0.545 nan 8.360 nan 0.000 0.452 135 M N 0.457 120.044 119.600 -0.022 0.000 2.229 135 M HA -0.083 4.397 4.480 -0.001 0.000 0.264 135 M C 2.433 178.700 176.300 -0.055 0.000 1.063 135 M CA 1.121 56.401 55.300 -0.034 0.000 1.114 135 M CB -0.127 32.444 32.600 -0.047 0.000 1.387 135 M HN 0.122 nan 8.290 nan 0.000 0.420 136 A N 0.723 123.489 122.820 -0.091 0.000 1.858 136 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 136 A C 2.136 179.727 177.584 0.011 0.000 1.190 136 A CA 1.989 53.994 52.037 -0.054 0.000 0.617 136 A CB -0.634 18.333 19.000 -0.054 0.000 0.827 136 A HN 0.407 nan 8.150 nan 0.000 0.443 137 K N -0.397 120.019 120.400 0.027 0.000 2.063 137 K HA -0.124 4.195 4.320 -0.001 0.000 0.208 137 K C 2.097 178.714 176.600 0.029 0.000 1.048 137 K CA 1.337 57.650 56.287 0.043 0.000 0.928 137 K CB -0.322 32.208 32.500 0.050 0.000 0.713 137 K HN 0.397 nan 8.250 nan 0.000 0.442 138 A N 0.672 123.503 122.820 0.018 0.000 1.933 138 A HA -0.061 4.259 4.320 -0.001 0.000 0.218 138 A C 2.225 179.816 177.584 0.012 0.000 1.175 138 A CA 1.735 53.781 52.037 0.015 0.000 0.628 138 A CB -0.687 18.319 19.000 0.011 0.000 0.814 138 A HN 0.442 nan 8.150 nan 0.000 0.444 139 A N -2.092 120.732 122.820 0.007 0.000 2.168 139 A HA 0.372 4.692 4.320 -0.001 0.000 0.215 139 A C 1.859 179.452 177.584 0.016 0.000 1.152 139 A CA 1.459 53.500 52.037 0.006 0.000 0.716 139 A CB -0.772 18.225 19.000 -0.005 0.000 0.794 139 A HN 1.873 nan 8.150 nan 0.000 0.465 140 G N -1.920 106.895 108.800 0.024 0.000 2.179 140 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.220 140 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.220 140 G C 0.138 175.067 174.900 0.047 0.000 0.990 140 G CA 0.048 45.167 45.100 0.032 0.000 0.646 140 G HN 0.395 nan 8.290 nan 0.000 0.517 141 L N 1.005 122.261 121.223 0.055 0.000 2.472 141 L HA 0.630 4.969 4.340 -0.001 0.000 0.260 141 L C 1.261 178.198 176.870 0.113 0.000 1.209 141 L CA -0.134 54.758 54.840 0.086 0.000 0.817 141 L CB 0.689 42.800 42.059 0.087 0.000 1.106 141 L HN 0.330 nan 8.230 nan 0.000 0.479 142 A N 0.764 123.677 122.820 0.156 0.000 2.322 142 A HA 0.643 4.963 4.320 -0.001 0.000 0.269 142 A C -0.039 177.668 177.584 0.205 0.000 1.094 142 A CA -0.236 51.892 52.037 0.152 0.000 0.807 142 A CB 0.566 19.653 19.000 0.145 0.000 1.047 142 A HN 0.737 nan 8.150 nan 0.000 0.487 143 T N -1.172 113.479 114.554 0.161 0.000 2.893 143 T HA 0.759 5.109 4.350 -0.001 0.000 0.293 143 T C -0.247 174.526 174.700 0.121 0.000 1.027 143 T CA -0.060 62.164 62.100 0.206 0.000 0.988 143 T CB 1.803 70.805 68.868 0.224 0.000 1.043 143 T HN 1.540 nan 8.240 nan 0.000 0.461 144 G N 0.889 109.747 108.800 0.095 0.000 2.667 144 G HA2 0.586 4.546 3.960 -0.001 0.000 0.298 144 G HA3 0.586 4.546 3.960 -0.001 0.000 0.298 144 G C -1.734 173.176 174.900 0.016 0.000 1.377 144 G CA -0.841 44.270 45.100 0.018 0.000 0.964 144 G HN 0.789 nan 8.290 nan 0.000 0.493 145 N N 0.458 119.173 118.700 0.026 0.000 2.519 145 N HA 0.537 5.276 4.740 -0.001 0.000 0.286 145 N C -1.281 174.242 175.510 0.021 0.000 1.079 145 N CA -0.295 52.779 53.050 0.040 0.000 0.878 145 N CB 2.064 40.598 38.487 0.079 0.000 1.375 145 N HN 0.302 nan 8.380 nan 0.000 0.514 146 V N 1.453 121.370 119.914 0.004 0.000 2.656 146 V HA 0.821 4.940 4.120 -0.001 0.000 0.307 146 V C -0.238 175.864 176.094 0.013 0.000 1.051 146 V CA -0.645 61.659 62.300 0.006 0.000 0.893 146 V CB 1.493 33.300 31.823 -0.028 0.000 0.999 146 V HN 0.710 nan 8.190 nan 0.000 0.426 147 S N 1.870 117.587 115.700 0.029 0.000 2.567 147 S HA 0.473 4.943 4.470 -0.001 0.000 0.270 147 S C 0.370 174.992 174.600 0.037 0.000 1.152 147 S CA 0.241 58.458 58.200 0.029 0.000 0.835 147 S CB 2.201 65.427 63.200 0.043 0.000 1.115 147 S HN 0.992 nan 8.310 nan 0.000 0.459 148 T N 0.305 114.874 114.554 0.024 0.000 3.069 148 T HA 0.623 4.973 4.350 -0.001 0.000 0.252 148 T C 0.659 175.385 174.700 0.042 0.000 1.053 148 T CA 0.353 62.467 62.100 0.024 0.000 0.964 148 T CB 0.102 68.965 68.868 -0.009 0.000 1.005 148 T HN 0.899 nan 8.240 nan 0.000 0.532 149 A N 1.308 124.158 122.820 0.050 0.000 2.261 149 A HA 0.635 4.955 4.320 -0.001 0.000 0.323 149 A C -0.178 177.442 177.584 0.060 0.000 1.107 149 A CA -0.967 51.107 52.037 0.062 0.000 0.883 149 A CB 0.640 19.682 19.000 0.070 0.000 1.251 149 A HN 0.472 nan 8.150 nan 0.000 0.502 150 E N 0.036 120.276 120.200 0.067 0.000 2.414 150 E HA 0.094 4.444 4.350 -0.001 0.000 0.263 150 E C 0.344 176.942 176.600 -0.004 0.000 1.000 150 E CA -0.114 56.317 56.400 0.051 0.000 0.914 150 E CB 0.446 30.200 29.700 0.090 0.000 0.948 150 E HN 0.522 nan 8.360 nan 0.000 0.444 151 L N 2.560 123.783 121.223 -0.001 0.000 2.261 151 L HA -0.253 4.087 4.340 -0.001 0.000 0.216 151 L C 1.931 178.732 176.870 -0.115 0.000 1.114 151 L CA 1.219 56.049 54.840 -0.017 0.000 0.777 151 L CB -0.257 41.826 42.059 0.040 0.000 0.910 151 L HN 0.552 nan 8.230 nan 0.000 0.440 152 Q N -0.831 118.813 119.800 -0.261 0.000 2.378 152 Q HA -0.045 4.295 4.340 -0.001 0.000 0.205 152 Q C 0.617 176.286 176.000 -0.551 0.000 0.954 152 Q CA 0.261 55.718 55.803 -0.578 0.000 0.901 152 Q CB -0.147 27.899 28.738 -1.153 0.000 0.981 152 Q HN 0.298 nan 8.270 nan 0.000 0.483 153 D N -0.511 119.734 120.400 -0.259 0.000 2.364 153 D HA 0.008 4.648 4.640 -0.001 0.000 0.236 153 D C 0.972 177.256 176.300 -0.026 0.000 1.221 153 D CA 0.634 54.614 54.000 -0.033 0.000 0.891 153 D CB 0.697 41.535 40.800 0.064 0.000 1.190 153 D HN 0.135 nan 8.370 nan 0.000 0.449 154 A N 1.928 124.769 122.820 0.036 0.000 1.869 154 A HA -0.255 4.065 4.320 -0.001 0.000 0.218 154 A C 2.161 179.735 177.584 -0.016 0.000 1.203 154 A CA 2.858 54.897 52.037 0.003 0.000 0.638 154 A CB -1.231 17.787 19.000 0.030 0.000 0.831 154 A HN 0.725 nan 8.150 nan 0.000 0.450 155 T N 0.507 115.093 114.554 0.052 0.000 2.635 155 T HA -0.107 4.242 4.350 -0.001 0.000 0.267 155 T C -0.166 174.593 174.700 0.098 0.000 1.040 155 T CA 1.830 63.996 62.100 0.109 0.000 1.156 155 T CB -1.285 67.715 68.868 0.220 0.000 0.863 155 T HN 0.574 nan 8.240 nan 0.000 0.430 156 P HA 0.212 nan 4.420 nan 0.000 0.224 156 P C 1.419 178.722 177.300 0.004 0.000 1.157 156 P CA 0.962 64.097 63.100 0.058 0.000 0.799 156 P CB -0.126 31.599 31.700 0.041 0.000 0.809 157 A N 1.200 123.991 122.820 -0.048 0.000 1.930 157 A HA 0.006 4.325 4.320 -0.001 0.000 0.217 157 A C 2.442 179.953 177.584 -0.122 0.000 1.175 157 A CA 1.773 53.754 52.037 -0.094 0.000 0.627 157 A CB -1.587 17.334 19.000 -0.132 0.000 0.815 157 A HN 0.191 nan 8.150 nan 0.000 0.443 158 A N -0.620 122.115 122.820 -0.142 0.000 2.194 158 A HA -0.045 4.274 4.320 -0.001 0.000 0.220 158 A C 1.903 179.366 177.584 -0.202 0.000 1.162 158 A CA 1.454 53.359 52.037 -0.221 0.000 0.674 158 A CB -0.518 18.297 19.000 -0.308 0.000 0.789 158 A HN 0.503 nan 8.150 nan 0.000 0.470 159 L N -1.122 120.043 121.223 -0.095 0.000 2.554 159 L HA 0.036 4.375 4.340 -0.001 0.000 0.225 159 L C 1.579 178.430 176.870 -0.032 0.000 1.104 159 L CA 0.644 55.471 54.840 -0.021 0.000 0.866 159 L CB 0.504 42.631 42.059 0.114 0.000 1.047 159 L HN 0.389 nan 8.230 nan 0.000 0.468 160 V N -5.317 114.552 119.914 -0.074 0.000 3.426 160 V HA 0.528 4.648 4.120 -0.001 0.000 0.279 160 V C 0.515 176.559 176.094 -0.083 0.000 1.544 160 V CA -0.068 62.208 62.300 -0.039 0.000 1.017 160 V CB 0.196 32.022 31.823 0.005 0.000 0.821 160 V HN 0.061 nan 8.190 nan 0.000 0.432 161 A N 0.240 122.935 122.820 -0.207 0.000 2.374 161 A HA 0.843 5.162 4.320 -0.001 0.000 0.317 161 A C -0.805 176.533 177.584 -0.410 0.000 1.094 161 A CA -0.478 51.448 52.037 -0.185 0.000 0.765 161 A CB 0.879 19.809 19.000 -0.116 0.000 1.268 161 A HN 0.532 nan 8.150 nan 0.000 0.438 162 H N 1.812 120.862 119.070 -0.034 0.000 2.791 162 H HA 0.449 5.005 4.556 -0.001 0.000 0.272 162 H C -0.597 174.718 175.328 -0.022 0.000 1.188 162 H CA -0.289 55.739 56.048 -0.032 0.000 1.436 162 H CB 0.895 30.642 29.762 -0.024 0.000 1.467 162 H HN 0.639 nan 8.280 nan 0.000 0.500 163 V N 0.005 119.939 119.914 0.032 0.000 3.113 163 V HA 0.462 4.582 4.120 -0.001 0.000 0.316 163 V C 1.170 177.285 176.094 0.036 0.000 1.125 163 V CA -0.668 61.653 62.300 0.035 0.000 1.026 163 V CB 1.847 33.679 31.823 0.015 0.000 1.080 163 V HN 0.606 nan 8.190 nan 0.000 0.444 164 T N -2.283 112.310 114.554 0.065 0.000 3.057 164 T HA 0.261 4.610 4.350 -0.001 0.000 0.254 164 T C 0.744 175.517 174.700 0.122 0.000 1.094 164 T CA 0.733 62.907 62.100 0.123 0.000 1.088 164 T CB -0.022 68.929 68.868 0.139 0.000 0.934 164 T HN 1.182 nan 8.240 nan 0.000 0.497 165 S N 0.960 116.700 115.700 0.066 0.000 2.614 165 S HA 0.341 4.811 4.470 -0.001 0.000 0.275 165 S C 0.868 175.493 174.600 0.042 0.000 1.161 165 S CA -1.011 57.224 58.200 0.059 0.000 0.969 165 S CB 1.319 64.556 63.200 0.062 0.000 1.059 165 S HN 0.449 nan 8.310 nan 0.000 0.482 166 R N 3.412 123.930 120.500 0.030 0.000 2.303 166 R HA -0.034 4.306 4.340 -0.001 0.000 0.225 166 R C 0.958 177.348 176.300 0.150 0.000 1.114 166 R CA 1.168 57.305 56.100 0.062 0.000 1.007 166 R CB -0.454 29.871 30.300 0.043 0.000 0.861 166 R HN 0.504 nan 8.270 nan 0.000 0.471 167 K N 0.446 120.898 120.400 0.086 0.000 2.432 167 K HA 0.065 4.384 4.320 -0.001 0.000 0.196 167 K C 0.279 176.937 176.600 0.097 0.000 1.038 167 K CA 0.385 56.697 56.287 0.040 0.000 0.986 167 K CB 0.261 32.745 32.500 -0.026 0.000 0.782 167 K HN 0.149 nan 8.250 nan 0.000 0.485 168 c N 2.553 121.231 118.600 0.129 0.000 3.424 168 c HA 0.127 4.697 4.570 -0.001 0.000 0.577 168 c C 1.331 175.524 174.090 0.171 0.000 1.086 168 c CA -0.892 55.504 56.329 0.112 0.000 1.153 168 c CB -2.344 40.201 42.510 0.058 0.000 1.411 168 c HN 0.333 nan 8.230 nan 0.000 0.636 169 Y N 1.927 122.199 120.300 -0.046 0.000 2.062 169 Y HA 0.081 4.630 4.550 -0.001 0.000 0.272 169 Y C 1.959 177.802 175.900 -0.095 0.000 1.117 169 Y CA 1.952 60.014 58.100 -0.063 0.000 1.095 169 Y CB -0.879 37.551 38.460 -0.050 0.000 0.985 169 Y HN 0.498 nan 8.280 nan 0.000 0.479 170 G N -2.656 106.204 108.800 0.100 0.000 2.932 170 G HA2 0.377 4.337 3.960 -0.001 0.000 0.283 170 G HA3 0.377 4.337 3.960 -0.001 0.000 0.283 170 G C -2.071 172.824 174.900 -0.008 0.000 1.336 170 G CA -1.188 43.900 45.100 -0.019 0.000 1.056 170 G HN -0.078 nan 8.290 nan 0.000 0.522 171 P HA -0.262 nan 4.420 nan 0.000 0.218 171 P C 2.433 179.734 177.300 0.000 0.000 1.165 171 P CA 3.030 66.124 63.100 -0.010 0.000 0.922 171 P CB 0.051 31.745 31.700 -0.010 0.000 0.794 172 S N -0.390 115.310 115.700 0.000 0.000 2.359 172 S HA -0.249 4.220 4.470 -0.001 0.000 0.222 172 S C 2.173 176.772 174.600 -0.000 0.000 1.038 172 S CA 1.675 59.875 58.200 -0.000 0.000 1.051 172 S CB -1.760 61.438 63.200 -0.003 0.000 0.944 172 S HN 0.189 nan 8.310 nan 0.000 0.433 173 A N 1.792 124.613 122.820 0.001 0.000 1.940 173 A HA -0.051 4.268 4.320 -0.001 0.000 0.219 173 A C 2.429 180.018 177.584 0.007 0.000 1.176 173 A CA 2.164 54.199 52.037 -0.003 0.000 0.631 173 A CB -1.726 17.268 19.000 -0.009 0.000 0.814 173 A HN 0.636 nan 8.150 nan 0.000 0.446 174 T N 0.216 114.779 114.554 0.015 0.000 2.746 174 T HA -0.129 4.220 4.350 -0.001 0.000 0.267 174 T C 2.198 176.905 174.700 0.012 0.000 1.039 174 T CA 1.658 63.769 62.100 0.017 0.000 1.142 174 T CB -0.414 68.463 68.868 0.015 0.000 0.866 174 T HN 0.506 nan 8.240 nan 0.000 0.444 175 S N 1.517 117.222 115.700 0.008 0.000 2.387 175 S HA -0.163 4.307 4.470 -0.001 0.000 0.230 175 S C 2.044 176.646 174.600 0.004 0.000 1.035 175 S CA 1.287 59.490 58.200 0.006 0.000 1.014 175 S CB -0.294 62.908 63.200 0.003 0.000 0.836 175 S HN 0.657 nan 8.310 nan 0.000 0.466 176 E N 0.256 120.457 120.200 0.002 0.000 2.276 176 E HA 0.059 4.408 4.350 -0.001 0.000 0.193 176 E C 1.514 178.115 176.600 0.001 0.000 0.983 176 E CA 0.602 57.001 56.400 -0.001 0.000 0.861 176 E CB 0.095 29.791 29.700 -0.007 0.000 0.817 176 E HN 0.365 nan 8.360 nan 0.000 0.485 177 K N -0.602 119.801 120.400 0.005 0.000 2.412 177 K HA 0.212 4.532 4.320 -0.001 0.000 0.202 177 K C -0.173 176.439 176.600 0.020 0.000 1.102 177 K CA 0.058 56.351 56.287 0.010 0.000 1.027 177 K CB 1.288 33.792 32.500 0.008 0.000 0.931 177 K HN -0.056 nan 8.250 nan 0.000 0.557 178 c N 1.569 120.182 118.600 0.021 0.000 3.517 178 c HA 0.284 4.854 4.570 -0.001 0.000 0.202 178 c C -2.125 171.977 174.090 0.020 0.000 1.370 178 c CA -1.273 55.072 56.329 0.027 0.000 1.308 178 c CB 0.599 43.129 42.510 0.033 0.000 1.840 178 c HN 0.176 nan 8.230 nan 0.000 0.525 179 P HA -0.039 nan 4.420 nan 0.000 0.216 179 P C 1.680 178.987 177.300 0.012 0.000 1.153 179 P CA 1.471 64.577 63.100 0.011 0.000 0.848 179 P CB 0.173 31.877 31.700 0.007 0.000 0.787 180 G N -1.471 107.338 108.800 0.014 0.000 2.776 180 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.209 180 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.209 180 G C 1.058 175.969 174.900 0.018 0.000 1.145 180 G CA 0.392 45.501 45.100 0.014 0.000 0.791 180 G HN 0.326 nan 8.290 nan 0.000 0.530 181 N N -0.469 118.244 118.700 0.021 0.000 2.397 181 N HA 0.269 5.009 4.740 -0.001 0.000 0.190 181 N C 1.198 176.720 175.510 0.020 0.000 1.099 181 N CA -0.008 53.056 53.050 0.024 0.000 0.876 181 N CB 0.457 38.962 38.487 0.031 0.000 1.143 181 N HN 0.221 nan 8.380 nan 0.000 0.468 182 A N 0.999 123.829 122.820 0.017 0.000 2.587 182 A HA -0.048 4.272 4.320 -0.001 0.000 0.235 182 A C 1.218 178.812 177.584 0.016 0.000 1.044 182 A CA 0.010 52.056 52.037 0.014 0.000 0.754 182 A CB 0.109 19.115 19.000 0.011 0.000 0.968 182 A HN 0.293 nan 8.150 nan 0.000 0.509 183 L N 1.692 122.927 121.223 0.019 0.000 2.046 183 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 183 L C 2.707 179.588 176.870 0.019 0.000 1.077 183 L CA 2.614 57.469 54.840 0.025 0.000 0.747 183 L CB -0.576 41.505 42.059 0.037 0.000 0.896 183 L HN 0.909 nan 8.230 nan 0.000 0.432 184 E N -0.524 119.685 120.200 0.015 0.000 2.204 184 E HA -0.273 4.076 4.350 -0.001 0.000 0.195 184 E C 1.403 178.007 176.600 0.006 0.000 0.990 184 E CA 1.241 57.647 56.400 0.009 0.000 0.821 184 E CB -0.324 29.381 29.700 0.008 0.000 0.750 184 E HN 0.317 nan 8.360 nan 0.000 0.477 185 K N 0.055 120.460 120.400 0.007 0.000 2.469 185 K HA 0.207 4.526 4.320 -0.001 0.000 0.201 185 K C 0.748 177.351 176.600 0.004 0.000 1.028 185 K CA 0.617 56.907 56.287 0.004 0.000 1.170 185 K CB 0.244 32.747 32.500 0.005 0.000 0.874 185 K HN 0.350 nan 8.250 nan 0.000 0.507 186 G N -0.330 108.474 108.800 0.006 0.000 2.143 186 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.248 186 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.248 186 G C 0.433 175.338 174.900 0.008 0.000 0.991 186 G CA -0.092 45.012 45.100 0.005 0.000 0.689 186 G HN 0.531 nan 8.290 nan 0.000 0.522 187 G N -1.031 107.776 108.800 0.012 0.000 2.528 187 G HA2 0.551 4.510 3.960 -0.001 0.000 0.289 187 G HA3 0.551 4.510 3.960 -0.001 0.000 0.289 187 G C 0.883 175.795 174.900 0.020 0.000 1.192 187 G CA 0.049 45.157 45.100 0.014 0.000 0.921 187 G HN 0.264 nan 8.290 nan 0.000 0.512 188 K N -0.286 120.127 120.400 0.022 0.000 2.280 188 K HA 0.126 4.445 4.320 -0.001 0.000 0.202 188 K C 1.279 177.900 176.600 0.035 0.000 1.047 188 K CA 1.030 57.335 56.287 0.030 0.000 0.942 188 K CB -0.177 32.341 32.500 0.031 0.000 0.739 188 K HN 0.955 nan 8.250 nan 0.000 0.457 189 G N 0.408 109.225 108.800 0.028 0.000 2.479 189 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.686 189 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.686 189 G C -0.392 174.511 174.900 0.005 0.000 1.295 189 G CA -0.483 44.628 45.100 0.018 0.000 0.922 189 G HN 0.197 nan 8.290 nan 0.000 0.582 190 S N -0.855 114.837 115.700 -0.013 0.000 2.598 190 S HA 0.430 4.899 4.470 -0.001 0.000 0.256 190 S C 1.852 176.420 174.600 -0.054 0.000 1.350 190 S CA 0.273 58.457 58.200 -0.027 0.000 0.984 190 S CB 0.652 63.828 63.200 -0.041 0.000 0.930 190 S HN 0.921 nan 8.310 nan 0.000 0.577 191 I N 0.980 121.509 120.570 -0.069 0.000 2.127 191 I HA -0.215 3.955 4.170 -0.001 0.000 0.241 191 I C 2.808 178.827 176.117 -0.164 0.000 1.075 191 I CA 1.821 63.054 61.300 -0.112 0.000 1.334 191 I CB -1.099 36.810 38.000 -0.153 0.000 1.040 191 I HN 0.750 nan 8.210 nan 0.000 0.405 192 T N 0.207 114.620 114.554 -0.236 0.000 2.699 192 T HA -0.228 4.122 4.350 -0.001 0.000 0.268 192 T C 1.710 176.221 174.700 -0.314 0.000 1.036 192 T CA 1.674 63.547 62.100 -0.378 0.000 1.147 192 T CB -0.356 68.177 68.868 -0.558 0.000 0.862 192 T HN 0.455 nan 8.240 nan 0.000 0.446 193 E N 0.996 121.072 120.200 -0.207 0.000 2.072 193 E HA -0.116 4.233 4.350 -0.001 0.000 0.191 193 E C 2.502 179.055 176.600 -0.079 0.000 0.985 193 E CA 0.840 57.159 56.400 -0.135 0.000 0.801 193 E CB -0.141 29.519 29.700 -0.066 0.000 0.750 193 E HN 0.581 nan 8.360 nan 0.000 0.452 194 Q N 0.454 120.222 119.800 -0.054 0.000 2.291 194 Q HA -0.094 4.246 4.340 -0.001 0.000 0.205 194 Q C 2.307 178.300 176.000 -0.011 0.000 0.970 194 Q CA 0.563 56.362 55.803 -0.006 0.000 0.876 194 Q CB -0.021 28.729 28.738 0.020 0.000 0.935 194 Q HN 0.292 nan 8.270 nan 0.000 0.455 195 L N 0.367 121.556 121.223 -0.057 0.000 2.044 195 L HA -0.151 4.188 4.340 -0.001 0.000 0.205 195 L C 2.041 178.905 176.870 -0.010 0.000 1.075 195 L CA 1.082 55.902 54.840 -0.033 0.000 0.747 195 L CB -0.104 41.919 42.059 -0.060 0.000 0.903 195 L HN 0.184 nan 8.230 nan 0.000 0.435 196 L N 0.068 121.244 121.223 -0.078 0.000 2.131 196 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 196 L C 2.283 179.197 176.870 0.072 0.000 1.092 196 L CA 0.928 55.720 54.840 -0.080 0.000 0.759 196 L CB -0.764 41.169 42.059 -0.211 0.000 0.903 196 L HN 0.404 nan 8.230 nan 0.000 0.435 197 N N 0.249 118.967 118.700 0.030 0.000 2.106 197 N HA -0.118 4.622 4.740 -0.001 0.000 0.188 197 N C 1.921 177.484 175.510 0.088 0.000 1.029 197 N CA 1.473 54.560 53.050 0.062 0.000 0.848 197 N CB -0.295 38.227 38.487 0.058 0.000 1.007 197 N HN 0.272 nan 8.380 nan 0.000 0.423 198 A N 0.742 123.613 122.820 0.086 0.000 1.917 198 A HA -0.147 4.172 4.320 -0.001 0.000 0.219 198 A C 1.075 178.722 177.584 0.106 0.000 1.182 198 A CA 1.333 53.425 52.037 0.092 0.000 0.633 198 A CB -0.512 18.539 19.000 0.085 0.000 0.819 198 A HN 0.459 nan 8.150 nan 0.000 0.448 199 R N -1.860 118.737 120.500 0.160 0.000 3.264 199 R HA -0.169 4.170 4.340 -0.001 0.000 0.251 199 R C 0.207 176.569 176.300 0.103 0.000 0.971 199 R CA 0.120 56.315 56.100 0.159 0.000 0.658 199 R CB -2.019 28.307 30.300 0.044 0.000 1.095 199 R HN 0.933 nan 8.270 nan 0.000 0.443 200 A N 0.472 123.371 122.820 0.132 0.000 2.386 200 A HA 0.083 4.403 4.320 -0.001 0.000 0.246 200 A C 1.069 178.704 177.584 0.085 0.000 1.089 200 A CA 0.188 52.289 52.037 0.108 0.000 0.790 200 A CB 0.252 19.324 19.000 0.120 0.000 1.042 200 A HN 0.509 nan 8.150 nan 0.000 0.497 201 D N -0.623 119.812 120.400 0.059 0.000 2.117 201 D HA -0.004 4.636 4.640 -0.001 0.000 0.198 201 D C 0.091 176.407 176.300 0.026 0.000 0.982 201 D CA 1.543 55.557 54.000 0.025 0.000 0.828 201 D CB -0.007 40.801 40.800 0.013 0.000 0.967 201 D HN 0.183 nan 8.370 nan 0.000 0.464 202 V N 0.682 120.613 119.914 0.029 0.000 2.525 202 V HA 0.301 4.421 4.120 -0.001 0.000 0.299 202 V C -0.430 175.684 176.094 0.033 0.000 1.034 202 V CA -0.483 61.827 62.300 0.017 0.000 0.863 202 V CB 2.227 34.030 31.823 -0.032 0.000 0.999 202 V HN -0.133 nan 8.190 nan 0.000 0.423 203 T N 6.738 121.314 114.554 0.038 0.000 2.890 203 T HA 0.707 5.057 4.350 -0.001 0.000 0.295 203 T C -0.734 173.967 174.700 0.001 0.000 0.993 203 T CA -0.303 61.814 62.100 0.028 0.000 0.979 203 T CB 0.857 69.747 68.868 0.037 0.000 0.967 203 T HN 0.373 nan 8.240 nan 0.000 0.441 204 L N 2.577 123.821 121.223 0.035 0.000 2.408 204 L HA 0.926 5.266 4.340 -0.001 0.000 0.268 204 L C 0.567 177.510 176.870 0.122 0.000 0.986 204 L CA -0.608 54.295 54.840 0.106 0.000 0.820 204 L CB 2.156 44.351 42.059 0.227 0.000 1.303 204 L HN 0.895 nan 8.230 nan 0.000 0.411 205 G N 1.093 109.984 108.800 0.152 0.000 2.399 205 G HA2 0.453 4.413 3.960 -0.001 0.000 0.256 205 G HA3 0.453 4.413 3.960 -0.001 0.000 0.256 205 G C -0.928 174.036 174.900 0.107 0.000 1.236 205 G CA 0.012 45.199 45.100 0.144 0.000 0.914 205 G HN 0.823 nan 8.290 nan 0.000 0.482 206 G N -2.144 106.698 108.800 0.071 0.000 2.857 206 G HA2 0.639 4.599 3.960 -0.001 0.000 0.217 206 G HA3 0.639 4.599 3.960 -0.001 0.000 0.217 206 G C 1.047 175.965 174.900 0.030 0.000 1.357 206 G CA 0.594 45.723 45.100 0.049 0.000 1.033 206 G HN 2.395 nan 8.290 nan 0.000 0.571 207 G N -1.905 106.932 108.800 0.061 0.000 2.142 207 G HA2 0.138 4.098 3.960 -0.001 0.000 0.225 207 G HA3 0.138 4.098 3.960 -0.001 0.000 0.225 207 G C 1.130 176.133 174.900 0.173 0.000 1.015 207 G CA 1.021 46.189 45.100 0.113 0.000 0.716 207 G HN 1.601 nan 8.290 nan 0.000 0.508 208 A N -0.113 122.743 122.820 0.061 0.000 2.019 208 A HA 0.092 4.412 4.320 -0.001 0.000 0.219 208 A C 2.118 179.788 177.584 0.142 0.000 1.164 208 A CA 2.354 54.402 52.037 0.018 0.000 0.644 208 A CB -0.280 18.674 19.000 -0.077 0.000 0.805 208 A HN 0.735 nan 8.150 nan 0.000 0.449 209 K N -0.592 119.885 120.400 0.129 0.000 2.057 209 K HA -0.134 4.185 4.320 -0.001 0.000 0.207 209 K C 1.818 178.495 176.600 0.129 0.000 1.049 209 K CA 1.889 58.243 56.287 0.113 0.000 0.931 209 K CB -0.365 32.190 32.500 0.091 0.000 0.714 209 K HN 0.379 nan 8.250 nan 0.000 0.440 210 T N 0.600 115.245 114.554 0.152 0.000 2.833 210 T HA -0.082 4.267 4.350 -0.001 0.000 0.269 210 T C 1.189 175.894 174.700 0.008 0.000 1.054 210 T CA 1.039 63.181 62.100 0.070 0.000 1.135 210 T CB -0.270 68.621 68.868 0.039 0.000 0.869 210 T HN 0.172 nan 8.240 nan 0.000 0.466 211 F N 1.442 121.369 119.950 -0.038 0.000 2.664 211 F HA 0.107 4.633 4.527 -0.001 0.000 0.297 211 F C 2.237 178.012 175.800 -0.043 0.000 1.164 211 F CA 0.183 58.145 58.000 -0.062 0.000 1.472 211 F CB -0.394 38.548 39.000 -0.097 0.000 1.108 211 F HN 0.155 nan 8.300 nan 0.000 0.596 212 A N -0.934 121.958 122.820 0.120 0.000 2.218 212 A HA 0.037 4.357 4.320 -0.001 0.000 0.209 212 A C 0.967 178.573 177.584 0.038 0.000 1.168 212 A CA -0.014 52.065 52.037 0.070 0.000 0.804 212 A CB -0.386 18.648 19.000 0.057 0.000 0.834 212 A HN 0.255 nan 8.150 nan 0.000 0.482 213 E N 0.991 121.201 120.200 0.016 0.000 2.373 213 E HA 0.321 4.670 4.350 -0.001 0.000 0.263 213 E C -0.215 176.387 176.600 0.003 0.000 1.073 213 E CA 0.097 56.499 56.400 0.002 0.000 0.894 213 E CB 0.684 30.374 29.700 -0.017 0.000 1.008 213 E HN 0.408 nan 8.360 nan 0.000 0.420 214 T N -1.202 113.360 114.554 0.013 0.000 2.867 214 T HA 0.598 4.947 4.350 -0.001 0.000 0.282 214 T C 0.090 174.805 174.700 0.025 0.000 1.000 214 T CA -1.085 61.030 62.100 0.026 0.000 1.042 214 T CB 1.623 70.510 68.868 0.032 0.000 0.973 214 T HN 0.492 nan 8.240 nan 0.000 0.465 215 A N 2.235 125.082 122.820 0.044 0.000 2.386 215 A HA 0.516 4.835 4.320 -0.001 0.000 0.246 215 A C 1.543 179.154 177.584 0.046 0.000 1.089 215 A CA -0.023 52.044 52.037 0.050 0.000 0.790 215 A CB -0.120 18.938 19.000 0.097 0.000 1.042 215 A HN 1.104 nan 8.150 nan 0.000 0.497 216 T N -1.992 112.584 114.554 0.037 0.000 3.023 216 T HA 0.539 4.888 4.350 -0.001 0.000 0.249 216 T C 0.686 175.401 174.700 0.025 0.000 1.050 216 T CA 0.784 62.899 62.100 0.026 0.000 1.088 216 T CB -0.105 68.773 68.868 0.017 0.000 0.946 216 T HN 1.422 nan 8.240 nan 0.000 0.480 217 A N 0.014 122.854 122.820 0.034 0.000 2.507 217 A HA 0.878 5.198 4.320 -0.001 0.000 0.284 217 A C 0.571 178.175 177.584 0.033 0.000 1.281 217 A CA -0.291 51.759 52.037 0.021 0.000 0.744 217 A CB 0.656 19.665 19.000 0.015 0.000 1.332 217 A HN 1.439 nan 8.150 nan 0.000 0.454 218 G N -0.870 107.930 108.800 -0.000 0.000 2.782 218 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.228 218 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.228 218 G C 0.516 175.316 174.900 -0.167 0.000 1.372 218 G CA 0.731 45.812 45.100 -0.032 0.000 0.862 218 G HN 1.289 nan 8.290 nan 0.000 0.547 219 E N -0.877 119.050 120.200 -0.455 0.000 2.160 219 E HA -0.095 4.255 4.350 -0.001 0.000 0.195 219 E C 1.425 177.556 176.600 -0.783 0.000 0.991 219 E CA 1.829 57.720 56.400 -0.848 0.000 0.810 219 E CB -0.092 28.642 29.700 -1.610 0.000 0.742 219 E HN 0.579 nan 8.360 nan 0.000 0.466 220 W N 1.499 122.806 121.300 0.012 0.000 3.239 220 W HA 0.171 4.831 4.660 -0.001 0.000 0.368 220 W C 0.622 177.145 176.519 0.007 0.000 1.154 220 W CA -0.664 56.688 57.345 0.013 0.000 1.860 220 W CB -0.173 29.299 29.460 0.020 0.000 1.094 220 W HN 0.086 nan 8.180 nan 0.000 0.643 221 Q N 1.187 121.051 119.800 0.108 0.000 2.368 221 Q HA 0.031 4.371 4.340 -0.001 0.000 0.331 221 Q C 1.305 177.344 176.000 0.065 0.000 1.086 221 Q CA 2.363 58.208 55.803 0.069 0.000 1.031 221 Q CB 0.663 29.407 28.738 0.010 0.000 1.125 221 Q HN 0.518 nan 8.270 nan 0.000 0.389 222 G N 4.161 112.999 108.800 0.063 0.000 2.317 222 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.227 222 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.227 222 G C -0.079 174.862 174.900 0.068 0.000 1.042 222 G CA 0.295 45.426 45.100 0.053 0.000 0.623 222 G HN 0.563 nan 8.290 nan 0.000 0.509 223 K N 2.441 122.904 120.400 0.105 0.000 2.205 223 K HA 0.494 4.814 4.320 -0.001 0.000 0.279 223 K C 0.951 177.605 176.600 0.089 0.000 1.027 223 K CA 0.258 56.611 56.287 0.110 0.000 0.932 223 K CB 1.022 33.624 32.500 0.169 0.000 1.032 223 K HN 0.448 nan 8.250 nan 0.000 0.466 224 T N -0.168 114.424 114.554 0.064 0.000 2.906 224 T HA 0.026 4.376 4.350 -0.001 0.000 0.320 224 T C 1.581 176.305 174.700 0.040 0.000 1.088 224 T CA -0.335 61.793 62.100 0.047 0.000 1.120 224 T CB 0.349 69.246 68.868 0.049 0.000 1.000 224 T HN 0.476 nan 8.240 nan 0.000 0.550 225 L N 0.339 121.569 121.223 0.012 0.000 2.261 225 L HA -0.063 4.277 4.340 -0.001 0.000 0.216 225 L C 3.141 180.068 176.870 0.095 0.000 1.114 225 L CA 1.213 56.033 54.840 -0.032 0.000 0.777 225 L CB -0.582 41.347 42.059 -0.216 0.000 0.910 225 L HN 0.737 nan 8.230 nan 0.000 0.440 226 R N 0.280 120.869 120.500 0.148 0.000 2.075 226 R HA -0.109 4.231 4.340 -0.001 0.000 0.226 226 R C 2.142 178.460 176.300 0.030 0.000 1.114 226 R CA 1.100 57.270 56.100 0.117 0.000 0.972 226 R CB 0.067 30.409 30.300 0.071 0.000 0.869 226 R HN 0.427 nan 8.270 nan 0.000 0.437 227 E N 0.085 120.305 120.200 0.033 0.000 2.150 227 E HA -0.251 4.099 4.350 -0.001 0.000 0.193 227 E C 1.953 178.560 176.600 0.012 0.000 0.985 227 E CA 0.937 57.356 56.400 0.032 0.000 0.814 227 E CB -0.021 29.713 29.700 0.057 0.000 0.752 227 E HN 0.403 nan 8.360 nan 0.000 0.466 228 Q N 1.042 120.819 119.800 -0.037 0.000 2.084 228 Q HA -0.184 4.156 4.340 -0.001 0.000 0.202 228 Q C 2.194 178.055 176.000 -0.232 0.000 0.978 228 Q CA 1.457 57.124 55.803 -0.226 0.000 0.844 228 Q CB -0.140 28.397 28.738 -0.335 0.000 0.898 228 Q HN 0.229 nan 8.270 nan 0.000 0.426 229 A N 0.740 123.483 122.820 -0.127 0.000 1.865 229 A HA -0.294 4.025 4.320 -0.001 0.000 0.217 229 A C 2.000 179.639 177.584 0.092 0.000 1.191 229 A CA 1.867 53.859 52.037 -0.076 0.000 0.623 229 A CB -0.806 18.084 19.000 -0.183 0.000 0.826 229 A HN 0.579 nan 8.150 nan 0.000 0.444 230 Q N -0.910 118.907 119.800 0.028 0.000 2.030 230 Q HA -0.155 4.184 4.340 -0.001 0.000 0.204 230 Q C 2.375 178.406 176.000 0.053 0.000 0.986 230 Q CA 1.723 57.553 55.803 0.044 0.000 0.843 230 Q CB -0.422 28.330 28.738 0.024 0.000 0.904 230 Q HN 0.693 nan 8.270 nan 0.000 0.420 231 A N 0.737 123.582 122.820 0.042 0.000 2.076 231 A HA -0.173 4.147 4.320 -0.001 0.000 0.220 231 A C 1.544 179.179 177.584 0.085 0.000 1.160 231 A CA 1.250 53.339 52.037 0.086 0.000 0.653 231 A CB -0.233 18.858 19.000 0.152 0.000 0.801 231 A HN 0.235 nan 8.150 nan 0.000 0.455 232 R N -1.639 118.878 120.500 0.027 0.000 2.427 232 R HA 0.319 4.659 4.340 -0.001 0.000 0.262 232 R C 0.946 177.230 176.300 -0.027 0.000 0.943 232 R CA 0.443 56.556 56.100 0.021 0.000 1.081 232 R CB 0.188 30.453 30.300 -0.058 0.000 1.166 232 R HN 0.589 nan 8.270 nan 0.000 0.534 233 G N 0.593 109.393 108.800 -0.001 0.000 2.132 233 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.228 233 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.228 233 G C -0.418 174.412 174.900 -0.117 0.000 1.000 233 G CA -0.408 44.654 45.100 -0.064 0.000 0.693 233 G HN 0.278 nan 8.290 nan 0.000 0.515 234 Y N 0.913 121.182 120.300 -0.052 0.000 2.304 234 Y HA 0.478 5.027 4.550 -0.001 0.000 0.328 234 Y C 1.215 177.077 175.900 -0.064 0.000 1.123 234 Y CA -0.157 57.907 58.100 -0.061 0.000 1.218 234 Y CB 0.877 39.291 38.460 -0.076 0.000 1.207 234 Y HN 0.270 nan 8.280 nan 0.000 0.495 235 Q N 3.693 123.549 119.800 0.093 0.000 2.279 235 Q HA 0.316 4.655 4.340 -0.001 0.000 0.256 235 Q C -1.152 174.847 176.000 -0.001 0.000 0.937 235 Q CA -0.490 55.329 55.803 0.027 0.000 0.933 235 Q CB 1.053 29.794 28.738 0.005 0.000 1.189 235 Q HN 0.372 nan 8.270 nan 0.000 0.417 236 L N 4.022 125.219 121.223 -0.044 0.000 2.287 236 L HA 0.501 4.840 4.340 -0.001 0.000 0.287 236 L C -0.319 176.476 176.870 -0.124 0.000 1.022 236 L CA -0.581 54.187 54.840 -0.121 0.000 0.814 236 L CB 1.354 43.328 42.059 -0.142 0.000 1.217 236 L HN 0.466 nan 8.230 nan 0.000 0.420 237 V N 0.748 120.551 119.914 -0.185 0.000 2.735 237 V HA 0.694 4.814 4.120 -0.001 0.000 0.310 237 V C 0.366 176.288 176.094 -0.287 0.000 1.061 237 V CA -0.486 61.725 62.300 -0.147 0.000 0.913 237 V CB 1.734 33.534 31.823 -0.038 0.000 1.005 237 V HN 0.762 nan 8.190 nan 0.000 0.428 238 S N 1.085 116.714 115.700 -0.119 0.000 2.632 238 S HA 0.331 4.800 4.470 -0.001 0.000 0.237 238 S C 0.037 174.782 174.600 0.243 0.000 1.037 238 S CA 0.237 58.384 58.200 -0.089 0.000 1.009 238 S CB -0.201 62.954 63.200 -0.075 0.000 0.974 238 S HN 1.093 nan 8.310 nan 0.000 0.544 239 D N -0.076 120.514 120.400 0.316 0.000 2.752 239 D HA 0.695 5.335 4.640 -0.001 0.000 0.313 239 D C 0.918 177.322 176.300 0.173 0.000 1.225 239 D CA -0.337 53.821 54.000 0.264 0.000 0.976 239 D CB 0.649 41.516 40.800 0.111 0.000 1.443 239 D HN -0.086 nan 8.370 nan 0.000 0.515 240 A N 0.301 123.127 122.820 0.010 0.000 1.865 240 A HA 0.122 4.442 4.320 -0.001 0.000 0.217 240 A C 2.211 179.797 177.584 0.003 0.000 1.191 240 A CA 3.132 55.142 52.037 -0.046 0.000 0.623 240 A CB -1.539 17.418 19.000 -0.073 0.000 0.826 240 A HN 0.859 nan 8.150 nan 0.000 0.444 241 A N -0.393 122.434 122.820 0.012 0.000 1.903 241 A HA -0.175 4.145 4.320 -0.001 0.000 0.219 241 A C 2.472 180.070 177.584 0.024 0.000 1.191 241 A CA 2.529 54.574 52.037 0.014 0.000 0.638 241 A CB -1.052 17.956 19.000 0.013 0.000 0.823 241 A HN 0.512 nan 8.150 nan 0.000 0.451 242 S N -0.592 115.135 115.700 0.045 0.000 2.355 242 S HA -0.126 4.344 4.470 -0.001 0.000 0.222 242 S C 1.872 176.506 174.600 0.056 0.000 1.031 242 S CA 1.317 59.544 58.200 0.046 0.000 0.993 242 S CB -0.549 62.682 63.200 0.052 0.000 0.859 242 S HN 0.506 nan 8.310 nan 0.000 0.453 243 L N 2.948 124.231 121.223 0.099 0.000 2.013 243 L HA -0.121 4.219 4.340 -0.001 0.000 0.212 243 L C 1.634 178.525 176.870 0.035 0.000 1.073 243 L CA 1.812 56.712 54.840 0.100 0.000 0.753 243 L CB -1.108 41.029 42.059 0.130 0.000 0.890 243 L HN 0.118 nan 8.230 nan 0.000 0.432 244 N N -0.855 117.854 118.700 0.014 0.000 2.430 244 N HA -0.119 4.620 4.740 -0.001 0.000 0.186 244 N C 1.755 177.266 175.510 0.001 0.000 1.032 244 N CA 1.242 54.291 53.050 -0.002 0.000 0.893 244 N CB -0.130 38.353 38.487 -0.007 0.000 0.957 244 N HN 0.415 nan 8.380 nan 0.000 0.442 245 S N -0.843 114.862 115.700 0.007 0.000 2.478 245 S HA 0.078 4.547 4.470 -0.001 0.000 0.222 245 S C 0.694 175.295 174.600 0.002 0.000 1.008 245 S CA -0.256 57.947 58.200 0.004 0.000 0.928 245 S CB 0.471 63.675 63.200 0.006 0.000 0.781 245 S HN 0.121 nan 8.310 nan 0.000 0.518 246 V N 3.960 123.877 119.914 0.004 0.000 2.585 246 V HA 0.141 4.261 4.120 -0.001 0.000 0.296 246 V C 1.144 177.233 176.094 -0.008 0.000 1.035 246 V CA 1.013 63.312 62.300 -0.002 0.000 1.084 246 V CB 1.242 33.066 31.823 0.001 0.000 0.953 246 V HN 0.556 nan 8.190 nan 0.000 0.483 247 T N 2.183 116.732 114.554 -0.009 0.000 3.040 247 T HA 0.432 4.782 4.350 -0.001 0.000 0.266 247 T C 0.261 174.952 174.700 -0.014 0.000 1.005 247 T CA -0.088 62.005 62.100 -0.011 0.000 0.906 247 T CB 0.095 68.959 68.868 -0.007 0.000 1.082 247 T HN 0.683 nan 8.240 nan 0.000 0.531 248 E N -0.133 120.057 120.200 -0.017 0.000 2.375 248 E HA 0.641 4.990 4.350 -0.001 0.000 0.280 248 E C -2.051 174.534 176.600 -0.024 0.000 0.972 248 E CA -0.979 55.409 56.400 -0.020 0.000 0.782 248 E CB 2.334 32.024 29.700 -0.016 0.000 1.229 248 E HN 0.286 nan 8.360 nan 0.000 0.439 249 A N 2.961 125.764 122.820 -0.029 0.000 2.509 249 A HA 0.574 4.894 4.320 -0.001 0.000 0.282 249 A C -1.384 176.182 177.584 -0.031 0.000 1.054 249 A CA -0.766 51.252 52.037 -0.032 0.000 0.820 249 A CB 0.380 19.360 19.000 -0.033 0.000 1.333 249 A HN 0.623 nan 8.150 nan 0.000 0.409 250 N N 0.720 119.398 118.700 -0.037 0.000 3.316 250 N HA 0.328 5.068 4.740 -0.001 0.000 0.300 250 N C 0.403 175.882 175.510 -0.052 0.000 1.567 250 N CA -0.692 52.340 53.050 -0.030 0.000 0.821 250 N CB 0.292 38.766 38.487 -0.021 0.000 1.748 250 N HN 0.112 nan 8.380 nan 0.000 0.603 251 Q N -0.574 119.200 119.800 -0.043 0.000 2.226 251 Q HA -0.084 4.256 4.340 -0.001 0.000 0.204 251 Q C 0.971 176.916 176.000 -0.093 0.000 0.975 251 Q CA 1.778 57.544 55.803 -0.063 0.000 0.866 251 Q CB -0.299 28.419 28.738 -0.033 0.000 0.915 251 Q HN 0.613 nan 8.270 nan 0.000 0.440 252 Q N 0.076 119.833 119.800 -0.071 0.000 2.163 252 Q HA 0.062 4.401 4.340 -0.001 0.000 0.198 252 Q C 0.379 176.322 176.000 -0.095 0.000 0.954 252 Q CA 0.938 56.699 55.803 -0.071 0.000 0.851 252 Q CB 0.413 29.126 28.738 -0.041 0.000 0.928 252 Q HN 0.065 nan 8.270 nan 0.000 0.459 253 K N 1.063 121.408 120.400 -0.091 0.000 3.022 253 K HA 0.261 4.581 4.320 -0.001 0.000 0.178 253 K C -2.632 173.907 176.600 -0.102 0.000 1.089 253 K CA -1.597 54.636 56.287 -0.092 0.000 0.916 253 K CB 1.412 33.882 32.500 -0.051 0.000 1.159 253 K HN 0.081 nan 8.250 nan 0.000 0.592 254 P HA -0.028 nan 4.420 nan 0.000 0.269 254 P C -0.668 176.628 177.300 -0.006 0.000 1.209 254 P CA -0.510 62.511 63.100 -0.132 0.000 0.776 254 P CB 0.927 32.447 31.700 -0.300 0.000 0.876 255 L N 4.292 125.542 121.223 0.045 0.000 2.289 255 L HA 0.476 4.816 4.340 -0.001 0.000 0.285 255 L C -0.827 176.090 176.870 0.078 0.000 1.049 255 L CA -0.620 54.252 54.840 0.054 0.000 0.804 255 L CB 0.765 42.832 42.059 0.014 0.000 1.195 255 L HN 0.204 nan 8.230 nan 0.000 0.428 256 L N 5.274 126.511 121.223 0.023 0.000 2.377 256 L HA 0.794 5.134 4.340 -0.001 0.000 0.270 256 L C -0.284 176.433 176.870 -0.255 0.000 0.991 256 L CA -0.026 54.750 54.840 -0.108 0.000 0.851 256 L CB 1.374 43.321 42.059 -0.188 0.000 1.218 256 L HN 0.652 nan 8.230 nan 0.000 0.420 257 G N 5.715 114.322 108.800 -0.322 0.000 2.370 257 G HA2 0.596 4.555 3.960 -0.001 0.000 0.317 257 G HA3 0.596 4.555 3.960 -0.001 0.000 0.317 257 G C -1.207 173.141 174.900 -0.921 0.000 1.162 257 G CA -0.417 44.270 45.100 -0.688 0.000 0.922 257 G HN 0.531 nan 8.290 nan 0.000 0.454 258 L N 2.972 123.618 121.223 -0.962 0.000 2.366 258 L HA 0.332 4.671 4.340 -0.001 0.000 0.266 258 L C -0.044 176.466 176.870 -0.599 0.000 1.010 258 L CA -0.648 53.792 54.840 -0.667 0.000 0.879 258 L CB 1.018 42.740 42.059 -0.562 0.000 1.228 258 L HN 0.547 nan 8.230 nan 0.000 0.439 259 F N 1.528 121.428 119.950 -0.082 0.000 2.797 259 F HA 0.452 4.978 4.527 -0.001 0.000 0.302 259 F C 1.143 176.922 175.800 -0.036 0.000 1.130 259 F CA -0.253 57.714 58.000 -0.054 0.000 1.387 259 F CB 0.174 39.147 39.000 -0.045 0.000 1.107 259 F HN 0.431 nan 8.300 nan 0.000 0.577 260 A N -0.784 122.080 122.820 0.073 0.000 2.594 260 A HA 0.399 4.719 4.320 -0.001 0.000 0.296 260 A C 0.093 177.697 177.584 0.032 0.000 1.056 260 A CA -0.682 51.391 52.037 0.060 0.000 0.693 260 A CB 0.434 19.482 19.000 0.080 0.000 1.278 260 A HN -0.079 nan 8.150 nan 0.000 0.408 261 D N 0.822 121.243 120.400 0.035 0.000 2.087 261 D HA 0.010 4.650 4.640 -0.001 0.000 0.192 261 D C 1.497 177.835 176.300 0.063 0.000 0.993 261 D CA 2.687 56.711 54.000 0.041 0.000 0.828 261 D CB -0.001 40.821 40.800 0.038 0.000 0.968 261 D HN 0.737 nan 8.370 nan 0.000 0.448 262 G N -0.339 108.499 108.800 0.063 0.000 3.271 262 G HA2 0.138 4.098 3.960 -0.001 0.000 0.174 262 G HA3 0.138 4.098 3.960 -0.001 0.000 0.174 262 G C 0.152 175.098 174.900 0.077 0.000 1.385 262 G CA -0.370 44.778 45.100 0.080 0.000 0.979 262 G HN 0.043 nan 8.290 nan 0.000 0.610 263 N N 0.585 119.330 118.700 0.074 0.000 2.479 263 N HA 0.148 4.888 4.740 -0.001 0.000 0.257 263 N C 0.258 175.803 175.510 0.058 0.000 1.232 263 N CA 0.168 53.259 53.050 0.067 0.000 0.920 263 N CB 0.841 39.365 38.487 0.063 0.000 1.105 263 N HN 0.256 nan 8.380 nan 0.000 0.444 264 M N 1.864 121.498 119.600 0.057 0.000 2.248 264 M HA 0.130 4.610 4.480 -0.001 0.000 0.337 264 M C -1.864 174.455 176.300 0.030 0.000 1.121 264 M CA -1.035 54.295 55.300 0.050 0.000 1.155 264 M CB 0.035 32.662 32.600 0.045 0.000 1.514 264 M HN 0.243 nan 8.290 nan 0.000 0.452 265 P HA 0.108 nan 4.420 nan 0.000 0.271 265 P C -0.890 176.415 177.300 0.010 0.000 1.218 265 P CA -0.590 62.522 63.100 0.021 0.000 0.780 265 P CB 0.179 31.893 31.700 0.024 0.000 0.901 266 V N 0.992 120.913 119.914 0.012 0.000 3.051 266 V HA 0.233 4.353 4.120 -0.001 0.000 0.306 266 V C 1.502 177.611 176.094 0.025 0.000 1.083 266 V CA -0.238 62.061 62.300 -0.001 0.000 1.104 266 V CB 0.571 32.392 31.823 -0.002 0.000 1.027 266 V HN 0.378 nan 8.190 nan 0.000 0.483 267 R N 1.008 121.511 120.500 0.005 0.000 2.062 267 R HA 0.077 4.416 4.340 -0.001 0.000 0.229 267 R C 0.238 176.739 176.300 0.335 0.000 1.128 267 R CA 1.060 57.220 56.100 0.101 0.000 0.960 267 R CB -0.160 30.129 30.300 -0.018 0.000 0.855 267 R HN 0.788 nan 8.270 nan 0.000 0.432 268 W N 0.090 121.375 121.300 -0.025 0.000 2.576 268 W HA 0.492 5.152 4.660 -0.001 0.000 0.360 268 W C -0.178 176.326 176.519 -0.025 0.000 1.109 268 W CA -1.228 56.103 57.345 -0.025 0.000 1.237 268 W CB -0.028 29.406 29.460 -0.043 0.000 1.369 268 W HN -0.175 nan 8.180 nan 0.000 0.609 269 L N 0.869 122.216 121.223 0.207 0.000 2.341 269 L HA 0.946 5.286 4.340 -0.001 0.000 0.267 269 L C -0.042 176.877 176.870 0.083 0.000 1.009 269 L CA -0.326 54.578 54.840 0.106 0.000 0.819 269 L CB 2.087 44.180 42.059 0.057 0.000 1.323 269 L HN 0.515 nan 8.230 nan 0.000 0.425 270 G N 2.410 111.245 108.800 0.059 0.000 2.473 270 G HA2 0.454 4.413 3.960 -0.001 0.000 0.298 270 G HA3 0.454 4.413 3.960 -0.001 0.000 0.298 270 G C -3.245 171.674 174.900 0.033 0.000 1.575 270 G CA -0.668 44.460 45.100 0.046 0.000 0.846 270 G HN 0.470 nan 8.290 nan 0.000 0.585 271 P HA 0.243 nan 4.420 nan 0.000 0.275 271 P C -0.516 176.790 177.300 0.010 0.000 1.270 271 P CA -0.285 62.827 63.100 0.020 0.000 0.791 271 P CB 1.068 32.783 31.700 0.025 0.000 1.089 272 K N 0.101 120.500 120.400 -0.001 0.000 2.174 272 K HA 0.476 4.796 4.320 -0.001 0.000 0.275 272 K C -0.012 176.583 176.600 -0.008 0.000 1.015 272 K CA -0.671 55.599 56.287 -0.028 0.000 0.933 272 K CB 0.674 33.152 32.500 -0.037 0.000 1.025 272 K HN 0.525 nan 8.250 nan 0.000 0.463 273 A N 2.354 125.159 122.820 -0.025 0.000 2.547 273 A HA 0.186 4.506 4.320 -0.001 0.000 0.233 273 A C -0.045 177.573 177.584 0.057 0.000 1.067 273 A CA 0.449 52.513 52.037 0.046 0.000 0.763 273 A CB -0.099 18.961 19.000 0.100 0.000 1.007 273 A HN 0.861 nan 8.150 nan 0.000 0.506 274 T N -1.464 113.148 114.554 0.096 0.000 2.864 274 T HA 0.469 4.819 4.350 -0.001 0.000 0.299 274 T C -0.630 174.169 174.700 0.165 0.000 1.166 274 T CA -0.574 61.594 62.100 0.113 0.000 1.007 274 T CB 0.696 69.618 68.868 0.091 0.000 1.219 274 T HN 0.694 nan 8.240 nan 0.000 0.506 275 Y N 2.408 122.714 120.300 0.011 0.000 2.729 275 Y HA 0.099 4.648 4.550 -0.001 0.000 0.331 275 Y C 1.406 177.314 175.900 0.014 0.000 1.208 275 Y CA 0.763 58.836 58.100 -0.044 0.000 1.521 275 Y CB -1.058 37.305 38.460 -0.161 0.000 1.233 275 Y HN 1.008 nan 8.280 nan 0.000 0.539 276 H N 1.722 120.620 119.070 -0.288 0.000 2.958 276 H HA -0.224 4.332 4.556 -0.001 0.000 0.274 276 H C 1.500 176.777 175.328 -0.084 0.000 1.184 276 H CA 0.019 55.911 56.048 -0.260 0.000 1.143 276 H CB -1.183 28.359 29.762 -0.366 0.000 1.297 276 H HN 0.929 nan 8.280 nan 0.000 0.356 277 G N 1.291 110.149 108.800 0.096 0.000 2.432 277 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.219 277 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.219 277 G C 1.637 176.574 174.900 0.062 0.000 1.135 277 G CA 0.934 46.083 45.100 0.082 0.000 0.767 277 G HN 0.680 nan 8.290 nan 0.000 0.550 278 N N 1.332 120.064 118.700 0.054 0.000 2.459 278 N HA -0.047 4.693 4.740 -0.001 0.000 0.181 278 N C 1.885 177.400 175.510 0.008 0.000 1.046 278 N CA 1.266 54.337 53.050 0.035 0.000 0.904 278 N CB -0.292 38.214 38.487 0.031 0.000 0.964 278 N HN 0.591 nan 8.380 nan 0.000 0.444 279 I N -4.348 116.218 120.570 -0.008 0.000 4.154 279 I HA 0.352 4.522 4.170 -0.001 0.000 0.334 279 I C 0.034 176.144 176.117 -0.012 0.000 1.371 279 I CA -0.039 61.242 61.300 -0.033 0.000 1.110 279 I CB 0.380 38.321 38.000 -0.099 0.000 1.085 279 I HN -0.282 nan 8.210 nan 0.000 0.398 280 D N 1.554 121.965 120.400 0.019 0.000 2.479 280 D HA 0.240 4.880 4.640 -0.001 0.000 0.221 280 D C 0.292 176.611 176.300 0.032 0.000 1.104 280 D CA 0.478 54.497 54.000 0.031 0.000 0.849 280 D CB 0.940 41.775 40.800 0.058 0.000 1.072 280 D HN 0.322 nan 8.370 nan 0.000 0.502 281 K N 1.502 121.922 120.400 0.034 0.000 2.328 281 K HA 0.450 4.769 4.320 -0.001 0.000 0.246 281 K C -2.469 174.148 176.600 0.030 0.000 0.955 281 K CA -1.617 54.690 56.287 0.034 0.000 0.817 281 K CB 2.298 34.824 32.500 0.043 0.000 1.208 281 K HN -0.129 nan 8.250 nan 0.000 0.432 282 P HA 0.076 nan 4.420 nan 0.000 0.274 282 P C -0.724 176.595 177.300 0.033 0.000 1.237 282 P CA -0.416 62.699 63.100 0.025 0.000 0.793 282 P CB 0.612 32.324 31.700 0.020 0.000 0.977 283 A N 1.731 124.570 122.820 0.032 0.000 2.520 283 A HA 0.257 4.576 4.320 -0.001 0.000 0.235 283 A C 0.282 177.897 177.584 0.052 0.000 1.065 283 A CA -0.091 51.973 52.037 0.045 0.000 0.764 283 A CB -0.247 18.775 19.000 0.036 0.000 1.002 283 A HN 0.376 nan 8.150 nan 0.000 0.502 284 V N 1.291 121.251 119.914 0.077 0.000 2.850 284 V HA 0.637 4.757 4.120 -0.001 0.000 0.315 284 V C 0.268 176.432 176.094 0.117 0.000 1.064 284 V CA -0.283 62.066 62.300 0.082 0.000 0.979 284 V CB 2.113 33.987 31.823 0.085 0.000 1.039 284 V HN 0.954 nan 8.190 nan 0.000 0.452 285 T N 1.634 116.242 114.554 0.089 0.000 2.949 285 T HA 0.284 4.634 4.350 -0.001 0.000 0.300 285 T C -0.352 174.376 174.700 0.046 0.000 0.988 285 T CA -0.365 61.799 62.100 0.108 0.000 0.993 285 T CB 0.808 69.694 68.868 0.028 0.000 0.984 285 T HN 0.738 nan 8.240 nan 0.000 0.442 286 c N 3.645 122.272 118.600 0.046 0.000 2.679 286 c HA 0.586 5.156 4.570 -0.001 0.000 0.417 286 c C 1.470 175.402 174.090 -0.263 0.000 1.302 286 c CA -0.476 55.786 56.329 -0.111 0.000 1.973 286 c CB -0.718 41.663 42.510 -0.213 0.000 2.715 286 c HN 1.011 nan 8.230 nan 0.000 0.628 287 T N -0.077 114.345 114.554 -0.220 0.000 2.901 287 T HA 0.588 4.937 4.350 -0.001 0.000 0.293 287 T C -3.118 171.463 174.700 -0.198 0.000 1.084 287 T CA -1.805 60.159 62.100 -0.228 0.000 1.008 287 T CB 1.542 70.347 68.868 -0.106 0.000 1.170 287 T HN 0.327 nan 8.240 nan 0.000 0.509 288 P HA 0.179 nan 4.420 nan 0.000 0.269 288 P C -0.615 176.709 177.300 0.039 0.000 1.217 288 P CA -0.243 62.843 63.100 -0.024 0.000 0.783 288 P CB 0.266 31.956 31.700 -0.016 0.000 0.898 289 N N 2.500 121.257 118.700 0.095 0.000 2.422 289 N HA 0.142 4.882 4.740 -0.001 0.000 0.264 289 N C -1.759 173.777 175.510 0.044 0.000 1.063 289 N CA -2.003 51.090 53.050 0.072 0.000 0.959 289 N CB 0.100 38.638 38.487 0.085 0.000 1.087 289 N HN 0.143 nan 8.380 nan 0.000 0.483 290 P HA -0.120 nan 4.420 nan 0.000 0.216 290 P C 0.684 177.996 177.300 0.021 0.000 1.150 290 P CA 1.138 64.250 63.100 0.020 0.000 0.837 290 P CB 0.322 32.031 31.700 0.015 0.000 0.786 291 Q N -0.861 118.953 119.800 0.024 0.000 2.435 291 Q HA -0.057 4.283 4.340 -0.001 0.000 0.207 291 Q C 1.079 177.092 176.000 0.023 0.000 0.956 291 Q CA 0.445 56.261 55.803 0.022 0.000 0.917 291 Q CB -0.649 28.102 28.738 0.022 0.000 0.997 291 Q HN 0.325 nan 8.270 nan 0.000 0.497 292 R N 2.686 123.202 120.500 0.027 0.000 2.387 292 R HA 0.035 4.374 4.340 -0.001 0.000 0.321 292 R C -0.458 175.852 176.300 0.016 0.000 1.174 292 R CA -0.069 56.045 56.100 0.024 0.000 1.002 292 R CB -0.009 30.310 30.300 0.031 0.000 1.028 292 R HN 0.103 nan 8.270 nan 0.000 0.482 293 N N 2.911 121.620 118.700 0.014 0.000 2.412 293 N HA -0.104 4.636 4.740 -0.001 0.000 0.254 293 N C 0.168 175.679 175.510 0.002 0.000 1.232 293 N CA 0.274 53.330 53.050 0.010 0.000 0.880 293 N CB 0.748 39.243 38.487 0.014 0.000 1.076 293 N HN 0.611 nan 8.380 nan 0.000 0.458 294 D N 0.656 121.057 120.400 0.001 0.000 2.311 294 D HA -0.102 4.537 4.640 -0.001 0.000 0.212 294 D C 1.314 177.604 176.300 -0.016 0.000 0.972 294 D CA 1.080 55.077 54.000 -0.007 0.000 0.887 294 D CB 0.292 41.090 40.800 -0.003 0.000 0.915 294 D HN 0.537 nan 8.370 nan 0.000 0.497 295 S N -0.661 115.033 115.700 -0.011 0.000 2.501 295 S HA 0.019 4.488 4.470 -0.001 0.000 0.220 295 S C 1.070 175.651 174.600 -0.033 0.000 0.997 295 S CA -0.252 57.940 58.200 -0.012 0.000 0.919 295 S CB 0.162 63.368 63.200 0.010 0.000 0.778 295 S HN -0.097 nan 8.310 nan 0.000 0.523 296 V N 5.476 125.368 119.914 -0.037 0.000 2.446 296 V HA 0.233 4.353 4.120 -0.001 0.000 0.276 296 V C -1.917 174.070 176.094 -0.179 0.000 1.030 296 V CA -1.781 60.472 62.300 -0.078 0.000 1.033 296 V CB -0.181 31.622 31.823 -0.033 0.000 0.993 296 V HN 0.300 nan 8.190 nan 0.000 0.477 297 P HA 0.167 nan 4.420 nan 0.000 0.270 297 P C 0.008 177.141 177.300 -0.279 0.000 1.223 297 P CA -0.060 62.815 63.100 -0.376 0.000 0.785 297 P CB 0.454 31.775 31.700 -0.631 0.000 0.923 298 T N -1.440 112.996 114.554 -0.196 0.000 2.927 298 T HA 0.213 4.562 4.350 -0.001 0.000 0.281 298 T C 1.191 175.804 174.700 -0.144 0.000 0.998 298 T CA -0.788 61.227 62.100 -0.141 0.000 1.019 298 T CB 0.610 69.421 68.868 -0.095 0.000 1.061 298 T HN 0.140 nan 8.240 nan 0.000 0.518 299 L N 1.425 122.579 121.223 -0.116 0.000 2.042 299 L HA 0.034 4.374 4.340 -0.001 0.000 0.210 299 L C 2.729 179.536 176.870 -0.104 0.000 1.076 299 L CA 2.484 57.260 54.840 -0.106 0.000 0.749 299 L CB -1.438 40.560 42.059 -0.100 0.000 0.893 299 L HN 0.949 nan 8.230 nan 0.000 0.432 300 A N -1.488 121.274 122.820 -0.096 0.000 1.898 300 A HA -0.243 4.076 4.320 -0.001 0.000 0.216 300 A C 2.197 179.729 177.584 -0.086 0.000 1.181 300 A CA 1.670 53.656 52.037 -0.084 0.000 0.620 300 A CB -0.557 18.402 19.000 -0.069 0.000 0.819 300 A HN 0.620 nan 8.150 nan 0.000 0.442 301 Q N -0.965 118.776 119.800 -0.097 0.000 2.030 301 Q HA -0.196 4.144 4.340 -0.001 0.000 0.204 301 Q C 2.262 178.194 176.000 -0.113 0.000 0.986 301 Q CA 1.957 57.698 55.803 -0.103 0.000 0.843 301 Q CB -0.288 28.374 28.738 -0.127 0.000 0.904 301 Q HN 0.708 nan 8.270 nan 0.000 0.420 302 M N -0.373 119.145 119.600 -0.137 0.000 2.117 302 M HA -0.165 4.315 4.480 -0.001 0.000 0.262 302 M C 2.136 178.378 176.300 -0.096 0.000 1.065 302 M CA 1.434 56.664 55.300 -0.117 0.000 1.114 302 M CB -0.300 32.229 32.600 -0.118 0.000 1.361 302 M HN 0.205 nan 8.290 nan 0.000 0.408 303 T N -0.379 114.115 114.554 -0.100 0.000 2.821 303 T HA -0.152 4.198 4.350 -0.001 0.000 0.267 303 T C 1.269 175.896 174.700 -0.122 0.000 1.046 303 T CA 1.588 63.622 62.100 -0.110 0.000 1.139 303 T CB -0.347 68.461 68.868 -0.100 0.000 0.871 303 T HN 0.378 nan 8.240 nan 0.000 0.454 304 D N 0.948 121.289 120.400 -0.099 0.000 2.078 304 D HA -0.094 4.546 4.640 -0.001 0.000 0.193 304 D C 2.174 178.413 176.300 -0.102 0.000 0.990 304 D CA 1.170 55.118 54.000 -0.086 0.000 0.827 304 D CB -0.112 40.652 40.800 -0.061 0.000 0.975 304 D HN 0.112 nan 8.370 nan 0.000 0.451 305 K N 0.216 120.561 120.400 -0.092 0.000 2.103 305 K HA -0.028 4.292 4.320 -0.001 0.000 0.207 305 K C 1.815 178.342 176.600 -0.123 0.000 1.048 305 K CA 1.435 57.670 56.287 -0.086 0.000 0.930 305 K CB -0.629 31.836 32.500 -0.058 0.000 0.716 305 K HN 0.145 nan 8.250 nan 0.000 0.444 306 A N 0.873 123.608 122.820 -0.142 0.000 1.851 306 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 306 A C 2.239 179.623 177.584 -0.334 0.000 1.195 306 A CA 1.930 53.852 52.037 -0.193 0.000 0.622 306 A CB -0.811 18.085 19.000 -0.173 0.000 0.831 306 A HN 0.341 nan 8.150 nan 0.000 0.444 307 I N -0.377 119.961 120.570 -0.387 0.000 2.264 307 I HA -0.282 3.887 4.170 -0.001 0.000 0.248 307 I C 2.625 178.453 176.117 -0.481 0.000 1.111 307 I CA 1.862 62.789 61.300 -0.621 0.000 1.382 307 I CB -0.448 37.230 38.000 -0.537 0.000 1.060 307 I HN 0.621 nan 8.210 nan 0.000 0.418 308 E N 1.646 121.695 120.200 -0.251 0.000 2.051 308 E HA -0.227 4.122 4.350 -0.001 0.000 0.192 308 E C 2.364 178.881 176.600 -0.138 0.000 0.991 308 E CA 1.350 57.671 56.400 -0.131 0.000 0.799 308 E CB -0.045 29.611 29.700 -0.074 0.000 0.748 308 E HN 0.462 nan 8.360 nan 0.000 0.449 309 L N 0.589 121.716 121.223 -0.160 0.000 2.027 309 L HA -0.163 4.176 4.340 -0.001 0.000 0.206 309 L C 2.727 179.494 176.870 -0.171 0.000 1.074 309 L CA 0.828 55.590 54.840 -0.130 0.000 0.745 309 L CB -0.376 41.618 42.059 -0.108 0.000 0.898 309 L HN 0.211 nan 8.230 nan 0.000 0.433 310 L N -0.301 120.733 121.223 -0.316 0.000 2.083 310 L HA -0.179 4.160 4.340 -0.001 0.000 0.209 310 L C 2.697 179.388 176.870 -0.298 0.000 1.083 310 L CA 1.434 56.041 54.840 -0.388 0.000 0.752 310 L CB -0.696 40.921 42.059 -0.736 0.000 0.899 310 L HN 0.391 nan 8.230 nan 0.000 0.433 311 S N -0.910 114.575 115.700 -0.358 0.000 2.537 311 S HA -0.102 4.368 4.470 -0.001 0.000 0.240 311 S C 1.722 176.396 174.600 0.123 0.000 0.981 311 S CA 0.505 58.731 58.200 0.044 0.000 0.948 311 S CB -0.268 63.035 63.200 0.171 0.000 0.759 311 S HN 0.350 nan 8.310 nan 0.000 0.531 312 K N 2.079 122.502 120.400 0.039 0.000 2.062 312 K HA 0.053 4.373 4.320 -0.001 0.000 0.205 312 K C 0.854 177.497 176.600 0.073 0.000 1.051 312 K CA 0.258 56.574 56.287 0.049 0.000 0.941 312 K CB -0.846 31.663 32.500 0.014 0.000 0.719 312 K HN 0.471 nan 8.250 nan 0.000 0.440 313 N N 2.793 121.543 118.700 0.084 0.000 2.414 313 N HA -0.107 4.633 4.740 -0.001 0.000 0.268 313 N C 0.604 176.184 175.510 0.116 0.000 1.286 313 N CA 0.440 53.546 53.050 0.095 0.000 0.896 313 N CB 0.836 39.391 38.487 0.112 0.000 1.093 313 N HN 0.030 nan 8.380 nan 0.000 0.480 314 E N 3.530 123.780 120.200 0.083 0.000 2.268 314 E HA -0.154 4.195 4.350 -0.001 0.000 0.195 314 E C 1.157 177.801 176.600 0.074 0.000 0.995 314 E CA 0.857 57.303 56.400 0.077 0.000 0.836 314 E CB 0.179 29.912 29.700 0.053 0.000 0.763 314 E HN 0.656 nan 8.360 nan 0.000 0.491 315 K N -0.382 120.061 120.400 0.072 0.000 2.076 315 K HA 0.020 4.339 4.320 -0.001 0.000 0.204 315 K C 0.706 177.344 176.600 0.063 0.000 1.051 315 K CA 1.002 57.324 56.287 0.058 0.000 0.949 315 K CB 0.350 32.880 32.500 0.050 0.000 0.726 315 K HN 0.163 nan 8.250 nan 0.000 0.443 316 G N -0.700 108.162 108.800 0.103 0.000 2.369 316 G HA2 0.232 4.191 3.960 -0.001 0.000 0.307 316 G HA3 0.232 4.191 3.960 -0.001 0.000 0.307 316 G C -1.608 173.400 174.900 0.179 0.000 1.327 316 G CA -0.579 44.574 45.100 0.088 0.000 0.963 316 G HN 0.201 nan 8.290 nan 0.000 0.590 317 F N -1.578 118.411 119.950 0.065 0.000 2.645 317 F HA 0.902 5.428 4.527 -0.001 0.000 0.310 317 F C -1.489 174.372 175.800 0.101 0.000 1.102 317 F CA -2.174 55.863 58.000 0.060 0.000 0.952 317 F CB 1.909 40.907 39.000 -0.004 0.000 1.326 317 F HN 0.831 nan 8.300 nan 0.000 0.456 318 F N 3.960 124.033 119.950 0.204 0.000 2.539 318 F HA 0.808 5.335 4.527 -0.001 0.000 0.318 318 F C -2.237 173.688 175.800 0.208 0.000 1.135 318 F CA -1.193 56.869 58.000 0.104 0.000 0.915 318 F CB 1.797 40.821 39.000 0.039 0.000 1.176 318 F HN 0.765 nan 8.300 nan 0.000 0.440 319 L N 5.776 126.579 121.223 -0.699 0.000 2.431 319 L HA 0.551 4.891 4.340 -0.001 0.000 0.266 319 L C -1.593 174.873 176.870 -0.674 0.000 0.978 319 L CA -0.283 54.252 54.840 -0.508 0.000 0.822 319 L CB 2.158 44.138 42.059 -0.131 0.000 1.310 319 L HN 0.775 nan 8.230 nan 0.000 0.409 320 Q N 3.833 123.381 119.800 -0.420 0.000 2.325 320 Q HA 0.752 5.092 4.340 -0.001 0.000 0.270 320 Q C -2.093 173.848 176.000 -0.099 0.000 1.020 320 Q CA -0.720 54.955 55.803 -0.213 0.000 0.785 320 Q CB 2.041 30.783 28.738 0.006 0.000 1.259 320 Q HN 0.607 nan 8.270 nan 0.000 0.452 321 V N 3.494 123.349 119.914 -0.099 0.000 2.604 321 V HA 0.520 4.640 4.120 -0.001 0.000 0.305 321 V C -0.710 175.345 176.094 -0.065 0.000 1.043 321 V CA -0.704 61.551 62.300 -0.076 0.000 0.888 321 V CB 1.678 33.442 31.823 -0.098 0.000 0.995 321 V HN 0.868 nan 8.190 nan 0.000 0.429 322 E N 2.627 122.805 120.200 -0.037 0.000 2.256 322 E HA 0.583 4.932 4.350 -0.001 0.000 0.268 322 E C -0.333 176.241 176.600 -0.044 0.000 0.877 322 E CA -0.671 55.710 56.400 -0.031 0.000 0.757 322 E CB 2.164 31.882 29.700 0.030 0.000 1.183 322 E HN 0.852 nan 8.360 nan 0.000 0.418 323 G N 2.697 111.454 108.800 -0.072 0.000 2.571 323 G HA2 0.425 4.385 3.960 -0.001 0.000 0.327 323 G HA3 0.425 4.385 3.960 -0.001 0.000 0.327 323 G C 0.531 175.399 174.900 -0.055 0.000 1.008 323 G CA 0.214 45.264 45.100 -0.084 0.000 1.136 323 G HN 0.548 nan 8.290 nan 0.000 0.444 324 A N 2.223 125.032 122.820 -0.019 0.000 1.970 324 A HA 0.084 4.404 4.320 -0.001 0.000 0.216 324 A C 2.338 179.938 177.584 0.026 0.000 1.170 324 A CA 1.520 53.569 52.037 0.020 0.000 0.645 324 A CB 0.036 19.065 19.000 0.047 0.000 0.816 324 A HN 0.504 nan 8.150 nan 0.000 0.447 325 S N -0.178 115.520 115.700 -0.003 0.000 2.603 325 S HA 0.129 4.599 4.470 -0.001 0.000 0.220 325 S C 1.482 176.064 174.600 -0.030 0.000 0.967 325 S CA 0.152 58.353 58.200 0.002 0.000 0.920 325 S CB -0.444 62.753 63.200 -0.005 0.000 0.773 325 S HN 0.543 nan 8.310 nan 0.000 0.529 326 I N 1.945 122.476 120.570 -0.065 0.000 2.127 326 I HA -0.253 3.917 4.170 -0.001 0.000 0.241 326 I C 2.593 178.660 176.117 -0.083 0.000 1.075 326 I CA 1.590 62.830 61.300 -0.100 0.000 1.334 326 I CB -0.400 37.526 38.000 -0.123 0.000 1.040 326 I HN 0.363 nan 8.210 nan 0.000 0.405 327 D N 1.549 121.941 120.400 -0.014 0.000 2.084 327 D HA -0.220 4.419 4.640 -0.001 0.000 0.194 327 D C 2.053 178.460 176.300 0.179 0.000 0.990 327 D CA 1.588 55.640 54.000 0.087 0.000 0.826 327 D CB 0.058 40.989 40.800 0.219 0.000 0.971 327 D HN 0.328 nan 8.370 nan 0.000 0.453 328 K N -0.283 120.248 120.400 0.219 0.000 2.103 328 K HA -0.133 4.186 4.320 -0.001 0.000 0.207 328 K C 2.386 179.076 176.600 0.149 0.000 1.048 328 K CA 0.919 57.361 56.287 0.257 0.000 0.930 328 K CB 0.014 32.609 32.500 0.158 0.000 0.716 328 K HN 0.196 nan 8.250 nan 0.000 0.444 329 Q N 0.625 120.447 119.800 0.036 0.000 2.245 329 Q HA -0.104 4.235 4.340 -0.001 0.000 0.201 329 Q C 1.613 177.563 176.000 -0.083 0.000 0.955 329 Q CA 1.002 56.791 55.803 -0.023 0.000 0.870 329 Q CB -0.041 28.669 28.738 -0.047 0.000 0.945 329 Q HN 0.311 nan 8.270 nan 0.000 0.461 330 D N -0.082 120.224 120.400 -0.157 0.000 2.144 330 D HA -0.151 4.489 4.640 -0.001 0.000 0.200 330 D C 1.668 177.824 176.300 -0.240 0.000 0.978 330 D CA 0.842 54.658 54.000 -0.307 0.000 0.833 330 D CB 0.246 40.535 40.800 -0.852 0.000 0.961 330 D HN 0.295 nan 8.370 nan 0.000 0.470 331 H N 0.002 119.050 119.070 -0.037 0.000 2.357 331 H HA 0.019 4.575 4.556 -0.001 0.000 0.301 331 H C 1.755 177.094 175.328 0.018 0.000 1.082 331 H CA 1.382 57.529 56.048 0.164 0.000 1.342 331 H CB -0.121 29.778 29.762 0.230 0.000 1.389 331 H HN 0.135 nan 8.280 nan 0.000 0.511 332 A N 0.463 123.331 122.820 0.081 0.000 2.209 332 A HA 0.324 4.644 4.320 -0.001 0.000 0.212 332 A C 1.468 178.939 177.584 -0.189 0.000 1.158 332 A CA 0.884 52.905 52.037 -0.027 0.000 0.742 332 A CB -0.368 18.623 19.000 -0.015 0.000 0.790 332 A HN 0.467 nan 8.150 nan 0.000 0.472 333 A N -0.325 122.247 122.820 -0.414 0.000 2.800 333 A HA -0.177 4.142 4.320 -0.001 0.000 0.292 333 A C 0.151 177.354 177.584 -0.634 0.000 1.474 333 A CA 0.837 52.263 52.037 -1.019 0.000 0.744 333 A CB -2.390 16.161 19.000 -0.749 0.000 1.044 333 A HN 0.660 nan 8.150 nan 0.000 0.489 334 N N -0.297 118.183 118.700 -0.368 0.000 2.696 334 N HA 0.394 5.134 4.740 -0.001 0.000 0.246 334 N C -1.904 173.575 175.510 -0.053 0.000 1.057 334 N CA -1.619 51.342 53.050 -0.149 0.000 0.867 334 N CB 1.187 39.626 38.487 -0.080 0.000 1.141 334 N HN 0.066 nan 8.380 nan 0.000 0.517 335 P HA -0.127 nan 4.420 nan 0.000 0.216 335 P C 1.277 178.590 177.300 0.021 0.000 1.157 335 P CA 1.178 64.336 63.100 0.098 0.000 0.880 335 P CB 0.406 32.189 31.700 0.139 0.000 0.791 336 c N -1.368 117.253 118.600 0.035 0.000 2.446 336 c HA -0.007 4.563 4.570 -0.001 0.000 0.277 336 c C 2.951 177.094 174.090 0.089 0.000 1.275 336 c CA 1.524 57.913 56.329 0.100 0.000 1.727 336 c CB -1.960 40.632 42.510 0.138 0.000 2.010 336 c HN 0.316 nan 8.230 nan 0.000 0.486 337 G N -0.845 107.973 108.800 0.030 0.000 2.418 337 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.217 337 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.217 337 G C 1.573 176.410 174.900 -0.106 0.000 1.158 337 G CA 0.860 45.950 45.100 -0.017 0.000 0.771 337 G HN 0.666 nan 8.290 nan 0.000 0.545 338 Q N -0.176 119.568 119.800 -0.093 0.000 2.016 338 Q HA -0.048 4.292 4.340 -0.001 0.000 0.200 338 Q C 2.584 178.461 176.000 -0.205 0.000 0.978 338 Q CA 1.203 56.934 55.803 -0.120 0.000 0.833 338 Q CB -0.199 28.507 28.738 -0.053 0.000 0.895 338 Q HN 0.540 nan 8.270 nan 0.000 0.427 339 I N 0.318 120.753 120.570 -0.226 0.000 2.226 339 I HA -0.183 3.986 4.170 -0.001 0.000 0.245 339 I C 2.351 178.028 176.117 -0.733 0.000 1.100 339 I CA 1.039 62.135 61.300 -0.339 0.000 1.374 339 I CB -0.606 37.239 38.000 -0.258 0.000 1.057 339 I HN 0.359 nan 8.210 nan 0.000 0.413 340 G N 0.638 108.794 108.800 -1.072 0.000 2.469 340 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.219 340 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.219 340 G C 1.530 175.913 174.900 -0.862 0.000 1.150 340 G CA 0.677 44.728 45.100 -1.749 0.000 0.763 340 G HN 0.320 nan 8.290 nan 0.000 0.561 341 E N 0.401 120.299 120.200 -0.503 0.000 2.204 341 E HA -0.066 4.284 4.350 -0.001 0.000 0.194 341 E C 2.682 179.097 176.600 -0.309 0.000 0.989 341 E CA 1.233 57.440 56.400 -0.321 0.000 0.824 341 E CB -0.588 28.985 29.700 -0.212 0.000 0.756 341 E HN 0.385 nan 8.360 nan 0.000 0.477 342 T N 1.085 115.436 114.554 -0.338 0.000 2.857 342 T HA -0.052 4.297 4.350 -0.001 0.000 0.266 342 T C 2.211 176.670 174.700 -0.401 0.000 1.048 342 T CA 0.790 62.685 62.100 -0.341 0.000 1.139 342 T CB -0.160 68.529 68.868 -0.298 0.000 0.874 342 T HN -0.038 nan 8.240 nan 0.000 0.455 343 V N 2.061 121.757 119.914 -0.362 0.000 2.295 343 V HA -0.197 3.923 4.120 -0.001 0.000 0.246 343 V C 2.452 178.412 176.094 -0.224 0.000 1.049 343 V CA 2.039 64.196 62.300 -0.237 0.000 1.024 343 V CB -0.619 31.073 31.823 -0.219 0.000 0.648 343 V HN 0.468 nan 8.190 nan 0.000 0.447 344 D N -0.261 119.984 120.400 -0.258 0.000 2.149 344 D HA -0.188 4.452 4.640 -0.001 0.000 0.198 344 D C 1.909 178.099 176.300 -0.183 0.000 0.990 344 D CA 1.213 55.100 54.000 -0.188 0.000 0.839 344 D CB -0.143 40.546 40.800 -0.185 0.000 0.948 344 D HN 0.318 nan 8.370 nan 0.000 0.460 345 L N 0.376 121.463 121.223 -0.227 0.000 2.093 345 L HA -0.047 4.292 4.340 -0.001 0.000 0.208 345 L C 1.658 178.388 176.870 -0.233 0.000 1.085 345 L CA 1.930 56.639 54.840 -0.218 0.000 0.755 345 L CB -0.835 41.081 42.059 -0.238 0.000 0.904 345 L HN 0.018 nan 8.230 nan 0.000 0.435 346 D N -0.790 119.431 120.400 -0.298 0.000 2.144 346 D HA -0.224 4.416 4.640 -0.001 0.000 0.199 346 D C 1.907 178.113 176.300 -0.158 0.000 0.984 346 D CA 1.472 55.298 54.000 -0.290 0.000 0.834 346 D CB 0.023 40.587 40.800 -0.393 0.000 0.955 346 D HN 0.557 nan 8.370 nan 0.000 0.465 347 E N 0.047 120.175 120.200 -0.120 0.000 2.077 347 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 347 E C 2.195 178.746 176.600 -0.081 0.000 0.989 347 E CA 0.993 57.348 56.400 -0.075 0.000 0.800 347 E CB -0.206 29.459 29.700 -0.059 0.000 0.746 347 E HN 0.404 nan 8.360 nan 0.000 0.452 348 A N 1.158 123.917 122.820 -0.101 0.000 1.898 348 A HA -0.113 4.207 4.320 -0.001 0.000 0.216 348 A C 2.527 180.057 177.584 -0.089 0.000 1.181 348 A CA 0.982 52.963 52.037 -0.094 0.000 0.620 348 A CB -0.591 18.346 19.000 -0.106 0.000 0.819 348 A HN 0.107 nan 8.150 nan 0.000 0.442 349 V N 0.065 119.912 119.914 -0.112 0.000 2.407 349 V HA -0.328 3.792 4.120 -0.001 0.000 0.248 349 V C 2.613 178.661 176.094 -0.077 0.000 1.055 349 V CA 2.230 64.468 62.300 -0.103 0.000 1.049 349 V CB -0.912 30.827 31.823 -0.140 0.000 0.662 349 V HN 0.631 nan 8.190 nan 0.000 0.455 350 Q N -0.513 119.241 119.800 -0.076 0.000 2.050 350 Q HA -0.187 4.153 4.340 -0.001 0.000 0.202 350 Q C 2.557 178.542 176.000 -0.025 0.000 0.980 350 Q CA 1.285 57.056 55.803 -0.053 0.000 0.840 350 Q CB -0.189 28.521 28.738 -0.046 0.000 0.898 350 Q HN 0.488 nan 8.270 nan 0.000 0.424 351 R N 0.232 120.719 120.500 -0.023 0.000 2.120 351 R HA -0.063 4.277 4.340 -0.001 0.000 0.234 351 R C 2.028 178.352 176.300 0.041 0.000 1.123 351 R CA 1.210 57.312 56.100 0.004 0.000 0.975 351 R CB -0.994 29.293 30.300 -0.021 0.000 0.866 351 R HN 0.275 nan 8.270 nan 0.000 0.446 352 A N 1.353 124.184 122.820 0.018 0.000 1.858 352 A HA -0.092 4.228 4.320 -0.001 0.000 0.216 352 A C 2.420 180.079 177.584 0.125 0.000 1.190 352 A CA 1.131 53.203 52.037 0.057 0.000 0.617 352 A CB -0.666 18.339 19.000 0.009 0.000 0.827 352 A HN 0.188 nan 8.150 nan 0.000 0.443 353 L N -0.753 120.500 121.223 0.049 0.000 2.046 353 L HA -0.228 4.112 4.340 -0.001 0.000 0.208 353 L C 2.602 179.495 176.870 0.039 0.000 1.077 353 L CA 1.706 56.551 54.840 0.008 0.000 0.747 353 L CB -0.661 41.332 42.059 -0.111 0.000 0.896 353 L HN 0.478 nan 8.230 nan 0.000 0.432 354 E N -0.309 119.920 120.200 0.049 0.000 2.049 354 E HA -0.301 4.048 4.350 -0.001 0.000 0.198 354 E C 1.976 178.639 176.600 0.105 0.000 1.007 354 E CA 1.991 58.425 56.400 0.057 0.000 0.809 354 E CB -0.272 29.462 29.700 0.056 0.000 0.749 354 E HN 0.388 nan 8.360 nan 0.000 0.450 355 F N 1.167 121.137 119.950 0.034 0.000 2.075 355 F HA -0.209 4.318 4.527 -0.001 0.000 0.297 355 F C 2.194 178.047 175.800 0.088 0.000 1.113 355 F CA 1.509 59.548 58.000 0.065 0.000 1.218 355 F CB -0.491 38.562 39.000 0.089 0.000 0.984 355 F HN -0.014 nan 8.300 nan 0.000 0.472 356 A N 0.955 123.948 122.820 0.289 0.000 1.869 356 A HA -0.287 4.033 4.320 -0.001 0.000 0.218 356 A C 2.335 180.009 177.584 0.150 0.000 1.203 356 A CA 2.267 54.455 52.037 0.251 0.000 0.638 356 A CB -0.996 18.229 19.000 0.376 0.000 0.831 356 A HN 0.440 nan 8.150 nan 0.000 0.450 357 K N -0.105 120.366 120.400 0.118 0.000 2.034 357 K HA -0.242 4.078 4.320 -0.001 0.000 0.214 357 K C 1.986 178.592 176.600 0.010 0.000 1.051 357 K CA 2.184 58.518 56.287 0.079 0.000 0.931 357 K CB -0.289 32.208 32.500 -0.006 0.000 0.715 357 K HN 0.766 nan 8.250 nan 0.000 0.446 358 K N 0.314 120.674 120.400 -0.067 0.000 2.365 358 K HA -0.014 4.305 4.320 -0.001 0.000 0.197 358 K C 1.908 178.400 176.600 -0.180 0.000 1.042 358 K CA 0.798 57.021 56.287 -0.108 0.000 0.987 358 K CB 0.214 32.654 32.500 -0.100 0.000 0.779 358 K HN 0.037 nan 8.250 nan 0.000 0.484 359 E N 0.932 120.956 120.200 -0.293 0.000 2.057 359 E HA -0.038 4.311 4.350 -0.001 0.000 0.190 359 E C 1.184 177.703 176.600 -0.136 0.000 0.969 359 E CA 1.404 57.619 56.400 -0.307 0.000 0.812 359 E CB 0.134 29.478 29.700 -0.594 0.000 0.777 359 E HN 0.423 nan 8.360 nan 0.000 0.455 360 G N 0.916 109.667 108.800 -0.083 0.000 2.194 360 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.236 360 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.236 360 G C 0.610 175.483 174.900 -0.046 0.000 0.987 360 G CA 0.357 45.432 45.100 -0.043 0.000 0.635 360 G HN 0.333 nan 8.290 nan 0.000 0.520 361 N N 0.380 119.058 118.700 -0.038 0.000 2.240 361 N HA 0.134 4.874 4.740 -0.001 0.000 0.240 361 N C -0.440 175.056 175.510 -0.023 0.000 1.277 361 N CA 0.187 53.219 53.050 -0.030 0.000 0.873 361 N CB 1.223 39.699 38.487 -0.020 0.000 1.222 361 N HN 0.278 nan 8.380 nan 0.000 0.507 362 T N 1.721 116.278 114.554 0.005 0.000 2.795 362 T HA 0.360 4.710 4.350 -0.001 0.000 0.282 362 T C -0.252 174.453 174.700 0.007 0.000 0.980 362 T CA -0.354 61.766 62.100 0.034 0.000 1.012 362 T CB 1.845 70.839 68.868 0.210 0.000 0.936 362 T HN 0.027 nan 8.240 nan 0.000 0.457 363 L N 5.387 126.602 121.223 -0.014 0.000 2.272 363 L HA 0.686 5.026 4.340 -0.001 0.000 0.289 363 L C -0.967 175.917 176.870 0.024 0.000 1.032 363 L CA -0.327 54.505 54.840 -0.013 0.000 0.810 363 L CB 0.863 42.915 42.059 -0.011 0.000 1.205 363 L HN 0.407 nan 8.230 nan 0.000 0.422 364 V N 6.530 126.487 119.914 0.071 0.000 2.513 364 V HA 0.569 4.689 4.120 -0.001 0.000 0.299 364 V C -0.006 176.110 176.094 0.038 0.000 1.035 364 V CA -0.466 61.878 62.300 0.073 0.000 0.889 364 V CB 1.690 33.599 31.823 0.143 0.000 0.988 364 V HN 0.658 nan 8.190 nan 0.000 0.440 365 I N 3.995 124.553 120.570 -0.021 0.000 2.619 365 I HA 0.636 4.805 4.170 -0.001 0.000 0.292 365 I C -1.167 174.883 176.117 -0.113 0.000 1.100 365 I CA -0.893 60.370 61.300 -0.062 0.000 1.043 365 I CB 2.413 40.367 38.000 -0.077 0.000 1.239 365 I HN 0.260 nan 8.210 nan 0.000 0.420 366 V N 4.171 124.005 119.914 -0.133 0.000 2.623 366 V HA 0.746 4.866 4.120 -0.001 0.000 0.304 366 V C -0.265 175.702 176.094 -0.212 0.000 1.054 366 V CA -0.222 61.977 62.300 -0.168 0.000 0.882 366 V CB 1.979 33.718 31.823 -0.139 0.000 1.002 366 V HN 0.938 nan 8.190 nan 0.000 0.424 367 T N 2.542 116.944 114.554 -0.254 0.000 2.661 367 T HA 0.816 5.166 4.350 -0.001 0.000 0.305 367 T C -1.600 172.945 174.700 -0.258 0.000 1.535 367 T CA 0.443 62.371 62.100 -0.287 0.000 1.000 367 T CB 1.669 70.280 68.868 -0.428 0.000 1.811 367 T HN 1.264 nan 8.240 nan 0.000 0.471 368 A N 0.371 123.063 122.820 -0.214 0.000 2.479 368 A HA 0.688 5.008 4.320 -0.001 0.000 0.296 368 A C 0.386 177.926 177.584 -0.073 0.000 1.121 368 A CA 0.153 52.080 52.037 -0.183 0.000 0.743 368 A CB 1.260 20.135 19.000 -0.210 0.000 1.323 368 A HN 0.870 nan 8.150 nan 0.000 0.415 369 D N -0.519 119.836 120.400 -0.074 0.000 2.234 369 D HA 0.101 4.741 4.640 -0.001 0.000 0.205 369 D C 0.450 176.708 176.300 -0.070 0.000 0.962 369 D CA 1.829 55.933 54.000 0.172 0.000 0.855 369 D CB -0.305 40.756 40.800 0.435 0.000 0.951 369 D HN 0.835 nan 8.370 nan 0.000 0.500 370 H N -2.966 115.927 119.070 -0.296 0.000 2.904 370 H HA 0.673 5.228 4.556 -0.001 0.000 0.290 370 H C -1.368 173.779 175.328 -0.301 0.000 1.437 370 H CA -0.841 54.815 56.048 -0.652 0.000 1.147 370 H CB 0.650 30.177 29.762 -0.392 0.000 1.824 370 H HN 0.057 nan 8.280 nan 0.000 0.505 371 A N 0.488 123.290 122.820 -0.029 0.000 2.257 371 A HA 0.531 4.850 4.320 -0.001 0.000 0.289 371 A C -0.465 177.200 177.584 0.136 0.000 1.095 371 A CA -0.153 51.926 52.037 0.070 0.000 0.836 371 A CB 0.469 19.574 19.000 0.175 0.000 1.111 371 A HN 0.770 nan 8.150 nan 0.000 0.497 372 H N -1.548 117.537 119.070 0.024 0.000 3.471 372 H HA 0.654 5.210 4.556 -0.001 0.000 0.318 372 H C 1.144 176.505 175.328 0.054 0.000 1.676 372 H CA 0.209 56.275 56.048 0.030 0.000 1.293 372 H CB 1.654 31.375 29.762 -0.069 0.000 1.738 372 H HN 0.586 nan 8.280 nan 0.000 0.690 373 A N 0.231 123.327 122.820 0.460 0.000 1.898 373 A HA 0.003 4.323 4.320 -0.001 0.000 0.214 373 A C 0.927 178.506 177.584 -0.009 0.000 1.183 373 A CA 0.948 53.128 52.037 0.237 0.000 0.622 373 A CB -0.799 18.411 19.000 0.350 0.000 0.824 373 A HN 0.586 nan 8.150 nan 0.000 0.444 374 S N 0.189 115.792 115.700 -0.162 0.000 2.573 374 S HA 0.194 4.663 4.470 -0.001 0.000 0.297 374 S C -0.237 174.204 174.600 -0.265 0.000 1.280 374 S CA 0.087 57.996 58.200 -0.486 0.000 1.061 374 S CB 0.197 63.153 63.200 -0.408 0.000 0.812 374 S HN 0.530 nan 8.310 nan 0.000 0.500 375 Q N 1.825 121.445 119.800 -0.300 0.000 2.397 375 Q HA 0.542 4.882 4.340 -0.001 0.000 0.275 375 Q C -1.033 174.900 176.000 -0.112 0.000 1.090 375 Q CA -0.680 55.038 55.803 -0.142 0.000 0.809 375 Q CB 2.213 30.895 28.738 -0.093 0.000 1.362 375 Q HN 0.783 nan 8.270 nan 0.000 0.431 376 I N 2.864 123.404 120.570 -0.051 0.000 2.307 376 I HA 0.289 4.458 4.170 -0.001 0.000 0.289 376 I C 0.004 176.115 176.117 -0.010 0.000 1.021 376 I CA -0.646 60.641 61.300 -0.022 0.000 1.224 376 I CB 0.838 38.838 38.000 0.000 0.000 1.376 376 I HN 0.319 nan 8.210 nan 0.000 0.470 377 V N 3.207 123.118 119.914 -0.006 0.000 3.204 377 V HA 0.866 4.986 4.120 -0.001 0.000 0.316 377 V C 0.402 176.500 176.094 0.007 0.000 1.160 377 V CA -0.959 61.341 62.300 0.001 0.000 1.044 377 V CB 1.547 33.371 31.823 0.002 0.000 1.136 377 V HN 0.667 nan 8.190 nan 0.000 0.455 378 A N 0.803 123.626 122.820 0.005 0.000 2.425 378 A HA 0.567 4.887 4.320 -0.001 0.000 0.242 378 A C -1.412 176.174 177.584 0.004 0.000 1.077 378 A CA -0.814 51.225 52.037 0.004 0.000 0.781 378 A CB -0.301 18.700 19.000 0.000 0.000 1.020 378 A HN 0.830 nan 8.150 nan 0.000 0.494 379 P HA -0.140 nan 4.420 nan 0.000 0.218 379 P C 0.556 177.851 177.300 -0.009 0.000 1.148 379 P CA 1.549 64.651 63.100 0.003 0.000 0.822 379 P CB 0.084 31.785 31.700 0.003 0.000 0.784 380 D N -2.358 118.033 120.400 -0.015 0.000 2.328 380 D HA -0.016 4.623 4.640 -0.001 0.000 0.226 380 D C -0.139 176.137 176.300 -0.039 0.000 1.066 380 D CA 0.277 54.260 54.000 -0.029 0.000 0.861 380 D CB -0.889 39.896 40.800 -0.026 0.000 0.912 380 D HN 0.043 nan 8.370 nan 0.000 0.521 381 T N 1.244 115.782 114.554 -0.028 0.000 2.902 381 T HA 0.056 4.405 4.350 -0.001 0.000 0.301 381 T C 0.345 175.013 174.700 -0.054 0.000 1.012 381 T CA 0.134 62.218 62.100 -0.026 0.000 1.151 381 T CB 1.164 70.029 68.868 -0.003 0.000 0.946 381 T HN 0.016 nan 8.240 nan 0.000 0.542 382 K N 2.444 122.809 120.400 -0.060 0.000 2.419 382 K HA 0.531 4.851 4.320 -0.001 0.000 0.244 382 K C -0.326 176.277 176.600 0.004 0.000 1.045 382 K CA -0.392 55.830 56.287 -0.108 0.000 1.004 382 K CB 1.037 33.455 32.500 -0.137 0.000 1.376 382 K HN 0.691 nan 8.250 nan 0.000 0.460 383 A N 2.897 125.752 122.820 0.058 0.000 2.295 383 A HA 0.442 4.761 4.320 -0.001 0.000 0.318 383 A C -1.537 176.180 177.584 0.221 0.000 1.134 383 A CA -1.259 50.850 52.037 0.120 0.000 0.827 383 A CB 0.352 19.416 19.000 0.107 0.000 1.136 383 A HN 0.458 nan 8.150 nan 0.000 0.493 384 P HA 0.031 nan 4.420 nan 0.000 0.231 384 P C 0.932 178.416 177.300 0.306 0.000 1.168 384 P CA 1.340 64.624 63.100 0.307 0.000 0.779 384 P CB 0.349 32.155 31.700 0.177 0.000 0.844 385 G N 0.504 109.455 108.800 0.251 0.000 3.182 385 G HA2 0.503 4.463 3.960 -0.001 0.000 0.167 385 G HA3 0.503 4.463 3.960 -0.001 0.000 0.167 385 G C -0.644 174.416 174.900 0.266 0.000 1.537 385 G CA -0.490 44.744 45.100 0.224 0.000 1.046 385 G HN 0.071 nan 8.290 nan 0.000 0.580 386 L N 1.428 122.795 121.223 0.241 0.000 2.305 386 L HA 0.516 4.855 4.340 -0.001 0.000 0.284 386 L C -0.098 176.935 176.870 0.273 0.000 1.013 386 L CA -0.649 54.333 54.840 0.238 0.000 0.819 386 L CB 1.898 44.075 42.059 0.197 0.000 1.227 386 L HN 0.626 nan 8.230 nan 0.000 0.417 387 T N 0.102 114.781 114.554 0.208 0.000 2.916 387 T HA 0.693 5.043 4.350 -0.001 0.000 0.292 387 T C -0.836 173.954 174.700 0.151 0.000 1.055 387 T CA -0.845 61.362 62.100 0.177 0.000 1.009 387 T CB 2.670 71.609 68.868 0.119 0.000 1.118 387 T HN 0.590 nan 8.240 nan 0.000 0.497 388 Q N -0.033 119.851 119.800 0.140 0.000 2.386 388 Q HA 0.623 4.963 4.340 -0.001 0.000 0.274 388 Q C -2.057 174.005 176.000 0.103 0.000 1.011 388 Q CA -0.990 54.883 55.803 0.116 0.000 0.867 388 Q CB 2.140 30.956 28.738 0.129 0.000 1.409 388 Q HN 1.152 nan 8.270 nan 0.000 0.395 389 A N 3.668 126.539 122.820 0.086 0.000 2.317 389 A HA 0.742 5.061 4.320 -0.001 0.000 0.327 389 A C -1.360 176.286 177.584 0.104 0.000 1.178 389 A CA -0.491 51.594 52.037 0.082 0.000 0.817 389 A CB 0.766 19.800 19.000 0.056 0.000 1.189 389 A HN 0.544 nan 8.150 nan 0.000 0.489 390 L N 1.587 122.888 121.223 0.131 0.000 2.341 390 L HA 0.415 4.755 4.340 -0.001 0.000 0.267 390 L C -0.198 176.756 176.870 0.140 0.000 1.009 390 L CA -0.518 54.441 54.840 0.198 0.000 0.819 390 L CB 1.624 43.889 42.059 0.342 0.000 1.323 390 L HN 0.827 nan 8.230 nan 0.000 0.425 391 N N 0.370 119.137 118.700 0.112 0.000 2.414 391 N HA 0.368 5.107 4.740 -0.001 0.000 0.256 391 N C 0.193 175.590 175.510 -0.187 0.000 1.029 391 N CA -0.261 52.777 53.050 -0.019 0.000 0.948 391 N CB 1.362 39.828 38.487 -0.036 0.000 1.102 391 N HN 0.691 nan 8.380 nan 0.000 0.496 392 T N -1.135 113.302 114.554 -0.195 0.000 2.814 392 T HA 0.151 4.500 4.350 -0.001 0.000 0.284 392 T C 1.137 175.622 174.700 -0.358 0.000 0.998 392 T CA -0.498 61.384 62.100 -0.364 0.000 0.935 392 T CB 1.140 69.925 68.868 -0.138 0.000 1.167 392 T HN 0.407 nan 8.240 nan 0.000 0.545 393 K N -0.417 119.790 120.400 -0.321 0.000 2.366 393 K HA -0.057 4.263 4.320 -0.001 0.000 0.198 393 K C 0.977 177.501 176.600 -0.127 0.000 1.044 393 K CA 0.800 56.962 56.287 -0.208 0.000 0.973 393 K CB -0.180 32.232 32.500 -0.147 0.000 0.767 393 K HN 0.493 nan 8.250 nan 0.000 0.475 394 D N 0.343 120.679 120.400 -0.107 0.000 2.378 394 D HA -0.004 4.635 4.640 -0.001 0.000 0.227 394 D C 0.748 177.008 176.300 -0.066 0.000 1.012 394 D CA 1.086 55.044 54.000 -0.070 0.000 0.905 394 D CB 0.272 41.041 40.800 -0.052 0.000 0.895 394 D HN 0.488 nan 8.370 nan 0.000 0.532 395 G N 0.335 109.083 108.800 -0.086 0.000 2.198 395 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.257 395 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.257 395 G C 0.237 175.106 174.900 -0.052 0.000 1.042 395 G CA 0.336 45.394 45.100 -0.070 0.000 0.791 395 G HN 0.629 nan 8.290 nan 0.000 0.502 396 A N -1.235 121.553 122.820 -0.053 0.000 2.469 396 A HA 0.894 5.213 4.320 -0.001 0.000 0.299 396 A C 0.022 177.594 177.584 -0.020 0.000 1.098 396 A CA -0.300 51.719 52.037 -0.030 0.000 0.737 396 A CB 1.952 20.939 19.000 -0.023 0.000 1.312 396 A HN 1.180 nan 8.150 nan 0.000 0.414 397 V N 1.792 121.704 119.914 -0.003 0.000 2.583 397 V HA 0.401 4.521 4.120 -0.001 0.000 0.287 397 V C 0.228 176.340 176.094 0.030 0.000 1.051 397 V CA 0.228 62.538 62.300 0.017 0.000 1.010 397 V CB 1.084 32.917 31.823 0.017 0.000 0.988 397 V HN 0.876 nan 8.190 nan 0.000 0.478 398 M N 5.820 125.455 119.600 0.059 0.000 2.259 398 M HA 0.600 5.079 4.480 -0.001 0.000 0.304 398 M C -1.583 174.763 176.300 0.077 0.000 1.019 398 M CA -0.417 54.924 55.300 0.070 0.000 0.922 398 M CB 1.783 34.444 32.600 0.103 0.000 1.600 398 M HN 0.408 nan 8.290 nan 0.000 0.433 399 V N 6.160 126.106 119.914 0.055 0.000 2.435 399 V HA 0.525 4.645 4.120 -0.001 0.000 0.290 399 V C -0.266 175.852 176.094 0.041 0.000 1.030 399 V CA -0.427 61.905 62.300 0.053 0.000 0.881 399 V CB 1.809 33.655 31.823 0.037 0.000 0.983 399 V HN 0.943 nan 8.190 nan 0.000 0.445 400 M N 3.352 122.982 119.600 0.051 0.000 2.383 400 M HA 0.491 4.971 4.480 -0.001 0.000 0.325 400 M C -0.367 175.922 176.300 -0.019 0.000 1.092 400 M CA -0.124 55.173 55.300 -0.006 0.000 0.961 400 M CB 2.201 34.812 32.600 0.019 0.000 1.672 400 M HN 0.661 nan 8.290 nan 0.000 0.438 401 S N 2.052 117.663 115.700 -0.148 0.000 2.503 401 S HA 0.680 5.149 4.470 -0.001 0.000 0.301 401 S C -1.819 172.574 174.600 -0.345 0.000 1.087 401 S CA -0.439 57.701 58.200 -0.101 0.000 1.042 401 S CB 0.797 63.980 63.200 -0.027 0.000 1.043 401 S HN 0.533 nan 8.310 nan 0.000 0.489 402 Y N 1.905 122.245 120.300 0.067 0.000 2.426 402 Y HA 0.537 5.087 4.550 -0.001 0.000 0.325 402 Y C 0.882 176.833 175.900 0.085 0.000 0.989 402 Y CA -0.658 57.485 58.100 0.072 0.000 1.284 402 Y CB 1.934 40.433 38.460 0.064 0.000 1.104 402 Y HN 0.842 nan 8.280 nan 0.000 0.481 403 G N 1.638 110.533 108.800 0.157 0.000 4.867 403 G HA2 0.003 3.962 3.960 -0.001 0.000 0.258 403 G HA3 0.003 3.962 3.960 -0.001 0.000 0.258 403 G C 0.179 175.150 174.900 0.118 0.000 0.999 403 G CA -0.430 44.754 45.100 0.139 0.000 0.797 403 G HN 0.572 nan 8.290 nan 0.000 0.505 404 N N -0.815 117.965 118.700 0.134 0.000 2.294 404 N HA 0.140 4.879 4.740 -0.001 0.000 0.186 404 N C 0.472 176.049 175.510 0.111 0.000 1.107 404 N CA 0.011 53.131 53.050 0.117 0.000 0.884 404 N CB 0.747 39.310 38.487 0.127 0.000 1.030 404 N HN 0.092 nan 8.380 nan 0.000 0.482 405 S N -0.013 115.762 115.700 0.125 0.000 2.521 405 S HA 0.273 4.743 4.470 -0.001 0.000 0.295 405 S C -0.276 174.373 174.600 0.082 0.000 1.098 405 S CA -0.728 57.533 58.200 0.101 0.000 0.999 405 S CB 1.117 64.387 63.200 0.115 0.000 1.034 405 S HN 0.336 nan 8.310 nan 0.000 0.483 406 E N 2.523 122.756 120.200 0.054 0.000 2.451 406 E HA 0.295 4.645 4.350 -0.001 0.000 0.194 406 E C -0.034 176.578 176.600 0.021 0.000 1.027 406 E CA -0.331 56.088 56.400 0.031 0.000 0.914 406 E CB 0.337 30.044 29.700 0.012 0.000 1.054 406 E HN 0.599 nan 8.360 nan 0.000 0.461 407 E N 1.511 121.732 120.200 0.034 0.000 2.284 407 E HA 0.023 4.372 4.350 -0.001 0.000 0.255 407 E C 0.149 176.767 176.600 0.030 0.000 1.052 407 E CA -0.359 56.056 56.400 0.024 0.000 0.904 407 E CB 0.654 30.369 29.700 0.025 0.000 1.217 407 E HN 0.172 nan 8.360 nan 0.000 0.438 408 D N -0.353 120.059 120.400 0.019 0.000 2.378 408 D HA -0.073 4.567 4.640 -0.001 0.000 0.227 408 D C 0.001 176.323 176.300 0.036 0.000 1.012 408 D CA 0.387 54.398 54.000 0.018 0.000 0.905 408 D CB 0.136 40.938 40.800 0.004 0.000 0.895 408 D HN 0.085 nan 8.370 nan 0.000 0.532 409 S N -0.018 115.719 115.700 0.063 0.000 2.672 409 S HA 0.195 4.665 4.470 -0.001 0.000 0.291 409 S C -0.820 173.900 174.600 0.201 0.000 1.145 409 S CA -0.806 57.467 58.200 0.121 0.000 1.013 409 S CB 1.211 64.455 63.200 0.073 0.000 1.017 409 S HN -0.066 nan 8.310 nan 0.000 0.487 410 Q N 2.957 122.923 119.800 0.276 0.000 2.352 410 Q HA 0.310 4.650 4.340 -0.001 0.000 0.260 410 Q C 0.111 176.373 176.000 0.437 0.000 0.976 410 Q CA 0.290 56.285 55.803 0.320 0.000 0.881 410 Q CB 0.695 29.633 28.738 0.335 0.000 1.235 410 Q HN 0.696 nan 8.270 nan 0.000 0.419 411 E N 1.159 121.547 120.200 0.314 0.000 2.283 411 E HA 0.215 4.565 4.350 -0.001 0.000 0.267 411 E C -0.251 176.466 176.600 0.195 0.000 1.045 411 E CA -0.522 56.021 56.400 0.239 0.000 0.884 411 E CB 0.908 30.690 29.700 0.136 0.000 1.106 411 E HN 0.498 nan 8.360 nan 0.000 0.408 412 H N 0.027 119.003 119.070 -0.157 0.000 2.703 412 H HA 0.126 4.682 4.556 -0.001 0.000 0.377 412 H C 0.299 175.626 175.328 -0.002 0.000 1.392 412 H CA -0.021 55.879 56.048 -0.248 0.000 1.458 412 H CB 0.820 30.400 29.762 -0.304 0.000 1.529 412 H HN 0.474 nan 8.280 nan 0.000 0.619 413 T N -2.525 112.154 114.554 0.208 0.000 2.883 413 T HA 0.383 4.732 4.350 -0.001 0.000 0.301 413 T C 0.699 175.558 174.700 0.265 0.000 1.158 413 T CA -0.612 61.606 62.100 0.198 0.000 1.007 413 T CB 1.626 70.593 68.868 0.164 0.000 1.186 413 T HN 0.630 nan 8.240 nan 0.000 0.499 414 G N 0.276 109.221 108.800 0.242 0.000 3.434 414 G HA2 0.331 4.291 3.960 -0.001 0.000 0.258 414 G HA3 0.331 4.291 3.960 -0.001 0.000 0.258 414 G C 0.438 175.455 174.900 0.195 0.000 1.128 414 G CA -0.149 45.123 45.100 0.286 0.000 0.792 414 G HN 0.895 nan 8.290 nan 0.000 0.539 415 S N 0.642 116.466 115.700 0.208 0.000 2.562 415 S HA 0.205 4.675 4.470 -0.001 0.000 0.281 415 S C 0.937 175.662 174.600 0.209 0.000 1.333 415 S CA -0.529 57.764 58.200 0.155 0.000 1.052 415 S CB 0.410 63.693 63.200 0.139 0.000 0.884 415 S HN 0.610 nan 8.310 nan 0.000 0.506 416 Q N 2.668 122.545 119.800 0.130 0.000 2.432 416 Q HA 0.428 4.768 4.340 -0.001 0.000 0.264 416 Q C -0.389 175.754 176.000 0.239 0.000 1.035 416 Q CA -0.412 55.496 55.803 0.176 0.000 0.908 416 Q CB 0.122 28.938 28.738 0.129 0.000 1.280 416 Q HN 0.550 nan 8.270 nan 0.000 0.455 417 L N -2.206 119.200 121.223 0.306 0.000 2.403 417 L HA 0.610 4.950 4.340 -0.001 0.000 0.253 417 L C -0.383 176.530 176.870 0.072 0.000 1.045 417 L CA -1.459 53.491 54.840 0.183 0.000 0.845 417 L CB 1.490 43.656 42.059 0.179 0.000 1.447 417 L HN 0.719 nan 8.230 nan 0.000 0.411 418 R N 0.721 121.217 120.500 -0.007 0.000 2.640 418 R HA 0.505 4.845 4.340 -0.001 0.000 0.270 418 R C -1.050 175.117 176.300 -0.221 0.000 1.024 418 R CA 0.213 56.267 56.100 -0.077 0.000 1.085 418 R CB 0.293 30.562 30.300 -0.052 0.000 0.963 418 R HN 0.848 nan 8.270 nan 0.000 0.426 419 I N 2.699 123.130 120.570 -0.231 0.000 2.571 419 I HA 0.519 4.689 4.170 -0.001 0.000 0.289 419 I C -1.665 174.357 176.117 -0.157 0.000 1.115 419 I CA -0.223 60.885 61.300 -0.321 0.000 1.045 419 I CB 1.973 39.669 38.000 -0.507 0.000 1.238 419 I HN 0.763 nan 8.210 nan 0.000 0.424 420 A N 5.745 128.487 122.820 -0.131 0.000 2.414 420 A HA 1.011 5.330 4.320 -0.001 0.000 0.306 420 A C -1.175 176.388 177.584 -0.035 0.000 1.054 420 A CA -0.062 51.941 52.037 -0.058 0.000 0.724 420 A CB 1.654 20.631 19.000 -0.039 0.000 1.267 420 A HN 1.173 nan 8.150 nan 0.000 0.418 421 A N 0.567 123.395 122.820 0.013 0.000 2.569 421 A HA 0.859 5.179 4.320 -0.001 0.000 0.290 421 A C -1.679 175.984 177.584 0.132 0.000 1.136 421 A CA -0.483 51.583 52.037 0.048 0.000 0.710 421 A CB 1.338 20.350 19.000 0.020 0.000 1.303 421 A HN 1.957 nan 8.150 nan 0.000 0.413 422 Y N -0.107 120.192 120.300 -0.001 0.000 2.441 422 Y HA 0.583 5.133 4.550 -0.001 0.000 0.334 422 Y C 0.105 176.014 175.900 0.015 0.000 1.061 422 Y CA 0.453 58.558 58.100 0.009 0.000 1.032 422 Y CB 1.424 39.890 38.460 0.011 0.000 1.266 422 Y HN 2.271 nan 8.280 nan 0.000 0.441 423 G N 4.495 112.834 108.800 -0.768 0.000 2.362 423 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.517 423 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.517 423 G C -3.236 171.509 174.900 -0.259 0.000 1.256 423 G CA -1.113 43.627 45.100 -0.600 0.000 1.027 423 G HN 0.513 nan 8.290 nan 0.000 0.491 424 P HA 0.291 nan 4.420 nan 0.000 0.263 424 P C 0.232 177.583 177.300 0.086 0.000 1.195 424 P CA 0.878 63.949 63.100 -0.047 0.000 0.762 424 P CB -0.033 31.697 31.700 0.049 0.000 0.799 425 H N 1.059 120.089 119.070 -0.066 0.000 3.109 425 H HA -0.209 4.347 4.556 -0.001 0.000 0.245 425 H C 1.174 176.482 175.328 -0.034 0.000 1.187 425 H CA 0.774 56.798 56.048 -0.040 0.000 1.136 425 H CB -1.621 28.122 29.762 -0.031 0.000 1.243 425 H HN 0.555 nan 8.280 nan 0.000 0.328 426 A N 0.760 123.592 122.820 0.020 0.000 2.067 426 A HA 0.208 4.528 4.320 -0.001 0.000 0.219 426 A C 2.530 180.127 177.584 0.022 0.000 1.158 426 A CA 1.547 53.592 52.037 0.014 0.000 0.661 426 A CB -0.432 18.556 19.000 -0.020 0.000 0.801 426 A HN 0.554 nan 8.150 nan 0.000 0.452 427 A N 1.111 123.936 122.820 0.008 0.000 1.997 427 A HA -0.242 4.077 4.320 -0.001 0.000 0.221 427 A C 1.638 179.244 177.584 0.037 0.000 1.172 427 A CA 1.702 53.747 52.037 0.014 0.000 0.645 427 A CB -0.727 18.271 19.000 -0.004 0.000 0.813 427 A HN 0.621 nan 8.150 nan 0.000 0.454 428 N N 0.102 118.837 118.700 0.058 0.000 2.609 428 N HA -0.075 4.665 4.740 -0.001 0.000 0.190 428 N C 1.327 176.883 175.510 0.076 0.000 1.157 428 N CA 1.417 54.513 53.050 0.075 0.000 0.918 428 N CB 0.058 38.606 38.487 0.101 0.000 0.978 428 N HN 0.658 nan 8.380 nan 0.000 0.448 429 V N -3.246 116.702 119.914 0.057 0.000 3.661 429 V HA 0.203 4.323 4.120 -0.001 0.000 0.271 429 V C 0.901 177.019 176.094 0.041 0.000 1.315 429 V CA -0.124 62.205 62.300 0.049 0.000 1.072 429 V CB -0.104 31.727 31.823 0.014 0.000 0.830 429 V HN -0.216 nan 8.190 nan 0.000 0.443 430 V N 2.727 122.664 119.914 0.039 0.000 2.811 430 V HA 0.661 4.780 4.120 -0.001 0.000 0.302 430 V C 1.285 177.407 176.094 0.046 0.000 1.063 430 V CA 1.031 63.353 62.300 0.036 0.000 1.088 430 V CB -0.196 31.645 31.823 0.030 0.000 0.982 430 V HN 1.117 nan 8.190 nan 0.000 0.485 431 G N 2.996 111.823 108.800 0.045 0.000 2.681 431 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.220 431 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.220 431 G C -0.901 174.040 174.900 0.069 0.000 1.353 431 G CA -0.091 45.040 45.100 0.051 0.000 0.872 431 G HN 1.191 nan 8.290 nan 0.000 0.557 432 L N 1.411 122.678 121.223 0.075 0.000 2.305 432 L HA 0.769 5.108 4.340 -0.001 0.000 0.281 432 L C 1.053 177.990 176.870 0.112 0.000 1.085 432 L CA 1.170 56.068 54.840 0.097 0.000 0.813 432 L CB 1.177 43.286 42.059 0.083 0.000 1.157 432 L HN 1.648 nan 8.230 nan 0.000 0.436 433 T N 0.681 115.328 114.554 0.155 0.000 2.696 433 T HA 0.477 4.827 4.350 -0.001 0.000 0.291 433 T C -1.183 173.619 174.700 0.171 0.000 1.095 433 T CA -0.884 61.312 62.100 0.160 0.000 1.026 433 T CB 1.497 70.473 68.868 0.181 0.000 1.390 433 T HN 0.648 nan 8.240 nan 0.000 0.513 434 D N -0.438 120.034 120.400 0.120 0.000 2.457 434 D HA 0.226 4.866 4.640 -0.001 0.000 0.240 434 D C 0.830 177.095 176.300 -0.059 0.000 1.041 434 D CA -0.473 53.522 54.000 -0.008 0.000 0.861 434 D CB 2.647 43.435 40.800 -0.020 0.000 1.394 434 D HN 0.750 nan 8.370 nan 0.000 0.473 435 Q N 1.026 120.601 119.800 -0.375 0.000 2.242 435 Q HA -0.237 4.102 4.340 -0.001 0.000 0.211 435 Q C 1.648 177.680 176.000 0.054 0.000 0.992 435 Q CA 2.650 58.234 55.803 -0.365 0.000 0.889 435 Q CB 0.055 28.547 28.738 -0.409 0.000 0.913 435 Q HN 0.684 nan 8.270 nan 0.000 0.422 436 T N -2.697 111.884 114.554 0.045 0.000 2.951 436 T HA -0.100 4.250 4.350 -0.001 0.000 0.268 436 T C 1.281 176.199 174.700 0.362 0.000 1.073 436 T CA 1.095 63.300 62.100 0.174 0.000 1.134 436 T CB -0.192 68.744 68.868 0.112 0.000 0.884 436 T HN 0.257 nan 8.240 nan 0.000 0.479 437 D N 1.045 121.616 120.400 0.286 0.000 2.182 437 D HA -0.059 4.581 4.640 -0.001 0.000 0.201 437 D C 1.968 178.471 176.300 0.339 0.000 0.986 437 D CA 0.766 54.962 54.000 0.327 0.000 0.847 437 D CB -0.128 40.796 40.800 0.206 0.000 0.942 437 D HN 0.269 nan 8.370 nan 0.000 0.467 438 L N 0.644 122.054 121.223 0.311 0.000 2.012 438 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 438 L C 2.137 179.132 176.870 0.210 0.000 1.073 438 L CA 1.410 56.408 54.840 0.263 0.000 0.748 438 L CB -0.883 41.367 42.059 0.318 0.000 0.891 438 L HN -0.032 nan 8.230 nan 0.000 0.431 439 F N -0.923 119.096 119.950 0.115 0.000 2.126 439 F HA -0.310 4.216 4.527 -0.001 0.000 0.299 439 F C 2.032 177.716 175.800 -0.193 0.000 1.096 439 F CA 1.806 59.766 58.000 -0.066 0.000 1.255 439 F CB -0.544 38.324 39.000 -0.219 0.000 0.997 439 F HN 0.169 nan 8.300 nan 0.000 0.479 440 Y N 0.316 120.706 120.300 0.150 0.000 2.242 440 Y HA -0.152 4.398 4.550 -0.001 0.000 0.291 440 Y C 2.651 178.505 175.900 -0.077 0.000 1.137 440 Y CA 1.706 59.824 58.100 0.030 0.000 1.181 440 Y CB -1.228 37.323 38.460 0.152 0.000 0.989 440 Y HN 0.005 nan 8.280 nan 0.000 0.527 441 T N 0.180 114.787 114.554 0.088 0.000 2.708 441 T HA -0.227 4.122 4.350 -0.001 0.000 0.266 441 T C 1.929 176.570 174.700 -0.098 0.000 1.037 441 T CA 1.753 63.869 62.100 0.026 0.000 1.146 441 T CB -0.354 68.557 68.868 0.071 0.000 0.865 441 T HN 0.272 nan 8.240 nan 0.000 0.435 442 M N 0.790 120.306 119.600 -0.140 0.000 2.059 442 M HA -0.094 4.386 4.480 -0.001 0.000 0.259 442 M C 2.475 178.605 176.300 -0.283 0.000 1.072 442 M CA 1.649 56.837 55.300 -0.185 0.000 1.117 442 M CB -0.415 32.086 32.600 -0.165 0.000 1.320 442 M HN 0.080 nan 8.290 nan 0.000 0.408 443 K N 0.604 120.743 120.400 -0.434 0.000 2.074 443 K HA -0.209 4.110 4.320 -0.001 0.000 0.209 443 K C 1.900 178.353 176.600 -0.246 0.000 1.048 443 K CA 1.796 57.837 56.287 -0.410 0.000 0.926 443 K CB -0.143 32.006 32.500 -0.585 0.000 0.713 443 K HN 0.333 nan 8.250 nan 0.000 0.444 444 A N 0.689 123.384 122.820 -0.208 0.000 1.929 444 A HA -0.013 4.307 4.320 -0.001 0.000 0.216 444 A C 2.263 179.640 177.584 -0.345 0.000 1.176 444 A CA 1.586 53.512 52.037 -0.185 0.000 0.628 444 A CB -0.568 18.366 19.000 -0.109 0.000 0.816 444 A HN 0.491 nan 8.150 nan 0.000 0.444 445 A N -0.125 122.411 122.820 -0.473 0.000 1.873 445 A HA 0.004 4.324 4.320 -0.001 0.000 0.215 445 A C 2.017 179.428 177.584 -0.289 0.000 1.186 445 A CA 1.399 53.052 52.037 -0.640 0.000 0.616 445 A CB -0.565 18.180 19.000 -0.424 0.000 0.823 445 A HN 0.445 nan 8.150 nan 0.000 0.442 446 L N -0.963 120.140 121.223 -0.199 0.000 2.552 446 L HA 0.092 4.432 4.340 -0.001 0.000 0.227 446 L C 1.639 178.449 176.870 -0.099 0.000 1.146 446 L CA 0.551 55.318 54.840 -0.122 0.000 0.858 446 L CB -0.525 41.469 42.059 -0.109 0.000 0.969 446 L HN 0.637 nan 8.230 nan 0.000 0.451 447 G N 0.737 109.467 108.800 -0.117 0.000 2.176 447 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.252 447 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.252 447 G C 0.256 175.120 174.900 -0.059 0.000 1.024 447 G CA -0.090 44.968 45.100 -0.071 0.000 0.755 447 G HN 0.232 nan 8.290 nan 0.000 0.507 448 L N -0.320 120.852 121.223 -0.086 0.000 2.472 448 L HA 0.530 4.870 4.340 -0.001 0.000 0.260 448 L C 1.049 177.894 176.870 -0.041 0.000 1.209 448 L CA -0.158 54.640 54.840 -0.071 0.000 0.817 448 L CB 0.526 42.516 42.059 -0.116 0.000 1.106 448 L HN 0.402 nan 8.230 nan 0.000 0.479 449 K N 0.000 120.390 120.400 -0.016 0.000 2.780 449 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 449 K CA 0.000 56.294 56.287 0.012 0.000 0.838 449 K CB 0.000 32.509 32.500 0.015 0.000 1.064 449 K HN 0.000 nan 8.250 nan 0.000 0.543