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 2wet_1_D DATA FIRST_RESID 1 DATA SEQUENCE MIRSVVIVGG GTAGWMTASY LKAAFDDRID VTLVESGNVR RIGVGEATFS DATA SEQUENCE TVRHFFDYLG LDEREWLPRC AGGYKLGIRF ENWSEPGEYF YHPFERLRVV DATA SEQUENCE DGFNMAEWWL AVGXXXXSFS EACYLTHRLC EAKRAPRMLD GSLFAXXXXX DATA SEQUENCE XXXXXXXXEQ RAQFPYAYHF DADEVARYLS EYAIARGVRH VVDDVQHVGQ DATA SEQUENCE DERGWISGVH TKQHGEISGD LFVDCTGFRG LLINQTLGGR FQSFSDVLPN DATA SEQUENCE NRAVALRVPR ENDEDMRPYT TATAMSAGWM WTIPLFKRDG NGYVYSDEFI DATA SEQUENCE SPEEAERELR STVAPGRDDL EANHIQMRIG RNERTWINNC VAVGLSAAFV DATA SEQUENCE EPLESTGIFF IQHAIEQLVK HFPGERWDPV LISAYNERMA HMVDGVKEFL DATA SEQUENCE VLHYKGAQRE DTPYWKAAKT RAMPDGLARK LELSASHLLD EQTIYPYYHG DATA SEQUENCE FETYSWITMN LGLGIVPERP RPALLHMDPA PALAEFERLR REGDELIAAL DATA SEQUENCE PSCYEYLASI Q 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.276 176.300 -0.040 0.000 1.140 1 M CA 0.000 55.267 55.300 -0.055 0.000 0.988 1 M CB 0.000 32.568 32.600 -0.054 0.000 1.302 2 I N -1.406 119.130 120.570 -0.057 0.000 2.677 2 I HA 0.573 4.748 4.170 0.009 0.000 0.305 2 I C 0.473 176.607 176.117 0.028 0.000 0.988 2 I CA -0.465 60.828 61.300 -0.012 0.000 1.260 2 I CB 1.573 39.533 38.000 -0.067 0.000 1.410 2 I HN 0.867 nan 8.210 nan 0.000 0.523 3 R N 1.786 122.312 120.500 0.042 0.000 2.164 3 R HA 0.221 4.567 4.340 0.009 0.000 0.198 3 R C 0.039 176.368 176.300 0.049 0.000 1.028 3 R CA 0.756 56.877 56.100 0.035 0.000 1.083 3 R CB 0.436 30.750 30.300 0.025 0.000 1.026 3 R HN 0.925 nan 8.270 nan 0.000 0.514 4 S N -0.260 115.464 115.700 0.040 0.000 2.536 4 S HA 0.579 5.054 4.470 0.009 0.000 0.287 4 S C -0.725 173.855 174.600 -0.033 0.000 1.101 4 S CA -0.835 57.369 58.200 0.006 0.000 0.950 4 S CB 2.667 65.850 63.200 -0.028 0.000 1.056 4 S HN -0.107 nan 8.310 nan 0.000 0.481 5 V N 2.125 122.015 119.914 -0.041 0.000 2.540 5 V HA 0.595 4.720 4.120 0.009 0.000 0.302 5 V C -0.732 175.252 176.094 -0.184 0.000 1.035 5 V CA -0.689 61.551 62.300 -0.100 0.000 0.873 5 V CB 1.812 33.654 31.823 0.033 0.000 0.992 5 V HN 0.853 nan 8.190 nan 0.000 0.428 6 V N 6.172 125.882 119.914 -0.341 0.000 2.378 6 V HA 0.511 4.637 4.120 0.009 0.000 0.288 6 V C -0.242 175.765 176.094 -0.144 0.000 1.016 6 V CA -0.351 61.790 62.300 -0.266 0.000 0.840 6 V CB 1.590 33.189 31.823 -0.374 0.000 0.994 6 V HN 0.681 nan 8.190 nan 0.000 0.431 7 I N 5.099 125.604 120.570 -0.109 0.000 2.359 7 I HA 0.453 4.628 4.170 0.009 0.000 0.294 7 I C -0.420 175.637 176.117 -0.100 0.000 0.987 7 I CA -0.716 60.519 61.300 -0.109 0.000 1.225 7 I CB 1.925 39.822 38.000 -0.171 0.000 1.366 7 I HN 0.263 nan 8.210 nan 0.000 0.466 8 V N 5.291 125.164 119.914 -0.068 0.000 2.334 8 V HA 0.852 4.977 4.120 0.009 0.000 0.281 8 V C 0.294 176.328 176.094 -0.099 0.000 1.016 8 V CA -0.458 61.804 62.300 -0.063 0.000 0.832 8 V CB 0.680 32.495 31.823 -0.013 0.000 0.999 8 V HN 1.060 nan 8.190 nan 0.000 0.439 9 G N 3.183 111.905 108.800 -0.131 0.000 2.931 9 G HA2 0.351 4.316 3.960 0.009 0.000 0.675 9 G HA3 0.351 4.316 3.960 0.009 0.000 0.675 9 G C -0.075 174.677 174.900 -0.246 0.000 1.339 9 G CA -0.383 44.633 45.100 -0.140 0.000 0.866 9 G HN 1.146 nan 8.290 nan 0.000 0.616 10 G N 0.376 109.070 108.800 -0.175 0.000 4.331 10 G HA2 0.693 4.658 3.960 0.009 0.000 0.299 10 G HA3 0.693 4.658 3.960 0.009 0.000 0.299 10 G C 0.776 175.703 174.900 0.045 0.000 1.158 10 G CA 0.968 45.923 45.100 -0.242 0.000 0.916 10 G HN 1.269 nan 8.290 nan 0.000 0.553 11 G N -0.266 108.529 108.800 -0.009 0.000 2.508 11 G HA2 0.347 4.313 3.960 0.009 0.000 0.278 11 G HA3 0.347 4.313 3.960 0.009 0.000 0.278 11 G C 1.177 176.143 174.900 0.109 0.000 1.389 11 G CA 0.421 45.558 45.100 0.062 0.000 1.050 11 G HN 0.056 nan 8.290 nan 0.000 0.522 12 T N 0.704 115.309 114.554 0.085 0.000 2.737 12 T HA -0.152 4.203 4.350 0.009 0.000 0.269 12 T C 2.696 177.408 174.700 0.019 0.000 1.040 12 T CA 1.981 64.125 62.100 0.073 0.000 1.142 12 T CB -0.396 68.509 68.868 0.062 0.000 0.861 12 T HN 0.596 nan 8.240 nan 0.000 0.456 13 A N 1.499 124.306 122.820 -0.023 0.000 1.858 13 A HA 0.142 4.467 4.320 0.009 0.000 0.216 13 A C 2.688 180.225 177.584 -0.077 0.000 1.190 13 A CA 1.845 53.849 52.037 -0.055 0.000 0.617 13 A CB -1.476 17.487 19.000 -0.062 0.000 0.827 13 A HN 0.498 nan 8.150 nan 0.000 0.443 14 G N -1.543 107.172 108.800 -0.142 0.000 2.476 14 G HA2 -0.287 3.678 3.960 0.009 0.000 0.218 14 G HA3 -0.287 3.678 3.960 0.009 0.000 0.218 14 G C 1.465 176.200 174.900 -0.274 0.000 1.164 14 G CA 1.034 45.963 45.100 -0.286 0.000 0.768 14 G HN 0.681 nan 8.290 nan 0.000 0.560 15 W N 0.124 121.415 121.300 -0.015 0.000 2.476 15 W HA 0.229 4.894 4.660 0.009 0.000 0.281 15 W C 2.933 179.464 176.519 0.020 0.000 1.230 15 W CA 0.071 57.411 57.345 -0.008 0.000 1.287 15 W CB -0.075 29.369 29.460 -0.026 0.000 1.108 15 W HN 0.101 nan 8.180 nan 0.000 0.567 16 M N -0.328 119.383 119.600 0.184 0.000 2.117 16 M HA -0.194 4.291 4.480 0.009 0.000 0.262 16 M C 1.950 178.379 176.300 0.216 0.000 1.065 16 M CA 1.940 57.328 55.300 0.146 0.000 1.114 16 M CB -0.904 31.579 32.600 -0.194 0.000 1.361 16 M HN -0.129 nan 8.290 nan 0.000 0.408 17 T N 0.733 115.342 114.554 0.092 0.000 2.674 17 T HA -0.112 4.243 4.350 0.009 0.000 0.265 17 T C 1.905 176.678 174.700 0.122 0.000 1.039 17 T CA 1.583 63.727 62.100 0.074 0.000 1.150 17 T CB -0.453 68.406 68.868 -0.016 0.000 0.864 17 T HN 0.494 nan 8.240 nan 0.000 0.427 18 A N 1.572 124.453 122.820 0.103 0.000 1.883 18 A HA -0.138 4.188 4.320 0.009 0.000 0.217 18 A C 2.638 180.348 177.584 0.211 0.000 1.186 18 A CA 2.173 54.292 52.037 0.136 0.000 0.624 18 A CB -1.059 18.033 19.000 0.154 0.000 0.822 18 A HN 0.444 nan 8.150 nan 0.000 0.444 19 S N -1.834 114.036 115.700 0.283 0.000 2.359 19 S HA -0.194 4.281 4.470 0.009 0.000 0.224 19 S C 1.880 176.590 174.600 0.182 0.000 1.035 19 S CA 1.647 60.016 58.200 0.281 0.000 1.018 19 S CB -0.599 62.697 63.200 0.160 0.000 0.876 19 S HN 0.653 nan 8.310 nan 0.000 0.448 20 Y N 1.880 122.211 120.300 0.052 0.000 2.181 20 Y HA -0.040 4.515 4.550 0.009 0.000 0.288 20 Y C 1.983 177.839 175.900 -0.072 0.000 1.146 20 Y CA 1.187 59.276 58.100 -0.019 0.000 1.164 20 Y CB -0.264 38.207 38.460 0.019 0.000 0.982 20 Y HN 0.139 nan 8.280 nan 0.000 0.515 21 L N -0.367 120.904 121.223 0.081 0.000 2.083 21 L HA -0.231 4.114 4.340 0.009 0.000 0.209 21 L C 2.417 179.213 176.870 -0.124 0.000 1.083 21 L CA 1.154 55.942 54.840 -0.088 0.000 0.752 21 L CB -0.451 41.625 42.059 0.029 0.000 0.899 21 L HN 0.067 nan 8.230 nan 0.000 0.433 22 K N 0.131 120.517 120.400 -0.024 0.000 2.062 22 K HA -0.028 4.298 4.320 0.009 0.000 0.205 22 K C 2.199 178.743 176.600 -0.093 0.000 1.051 22 K CA 1.350 57.621 56.287 -0.027 0.000 0.941 22 K CB -0.473 32.030 32.500 0.005 0.000 0.719 22 K HN 0.235 nan 8.250 nan 0.000 0.440 23 A N 1.323 124.079 122.820 -0.108 0.000 1.908 23 A HA -0.143 4.182 4.320 0.009 0.000 0.218 23 A C 2.369 179.759 177.584 -0.323 0.000 1.181 23 A CA 2.310 54.216 52.037 -0.219 0.000 0.627 23 A CB -0.573 18.265 19.000 -0.270 0.000 0.818 23 A HN 0.307 nan 8.150 nan 0.000 0.445 24 A N -1.755 120.856 122.820 -0.349 0.000 1.872 24 A HA 0.223 4.548 4.320 0.009 0.000 0.214 24 A C 1.597 178.960 177.584 -0.368 0.000 1.187 24 A CA 1.501 53.266 52.037 -0.454 0.000 0.614 24 A CB -0.366 18.102 19.000 -0.886 0.000 0.826 24 A HN 0.482 nan 8.150 nan 0.000 0.442 25 F N -1.487 118.389 119.950 -0.123 0.000 2.728 25 F HA 0.229 4.761 4.527 0.009 0.000 0.314 25 F C 0.999 176.738 175.800 -0.102 0.000 1.094 25 F CA -0.679 57.243 58.000 -0.130 0.000 1.217 25 F CB -0.274 38.614 39.000 -0.187 0.000 1.056 25 F HN 0.272 nan 8.300 nan 0.000 0.577 26 D N 1.541 121.964 120.400 0.039 0.000 3.899 26 D HA -0.329 4.316 4.640 0.009 0.000 0.146 26 D C 1.051 177.361 176.300 0.017 0.000 0.820 26 D CA 2.392 56.388 54.000 -0.006 0.000 1.056 26 D CB -0.851 39.930 40.800 -0.033 0.000 0.474 26 D HN 0.314 nan 8.370 nan 0.000 0.457 27 D N -0.053 120.349 120.400 0.004 0.000 2.340 27 D HA -0.016 4.630 4.640 0.009 0.000 0.220 27 D C 1.093 177.397 176.300 0.006 0.000 1.039 27 D CA 0.268 54.269 54.000 0.001 0.000 0.866 27 D CB -0.344 40.449 40.800 -0.012 0.000 0.913 27 D HN 0.344 nan 8.370 nan 0.000 0.523 28 R N 0.047 120.557 120.500 0.017 0.000 2.391 28 R HA 0.317 4.662 4.340 0.009 0.000 0.249 28 R C -0.256 176.028 176.300 -0.025 0.000 0.957 28 R CA -0.276 55.813 56.100 -0.018 0.000 1.093 28 R CB 0.075 30.345 30.300 -0.051 0.000 1.156 28 R HN 0.187 nan 8.270 nan 0.000 0.526 29 I N 0.446 121.037 120.570 0.035 0.000 2.680 29 I HA 0.172 4.347 4.170 0.009 0.000 0.291 29 I C -1.724 174.428 176.117 0.057 0.000 1.244 29 I CA -0.802 60.535 61.300 0.062 0.000 1.042 29 I CB 2.411 40.504 38.000 0.155 0.000 1.277 29 I HN -0.139 nan 8.210 nan 0.000 0.423 30 D N 6.525 126.953 120.400 0.047 0.000 2.232 30 D HA 0.582 5.227 4.640 0.009 0.000 0.242 30 D C -0.862 175.456 176.300 0.030 0.000 1.093 30 D CA 0.053 54.071 54.000 0.030 0.000 0.845 30 D CB 2.182 42.991 40.800 0.016 0.000 1.124 30 D HN 0.171 nan 8.370 nan 0.000 0.467 31 V N 2.055 121.985 119.914 0.027 0.000 2.588 31 V HA 0.483 4.609 4.120 0.009 0.000 0.304 31 V C 0.052 176.152 176.094 0.010 0.000 1.042 31 V CA -0.598 61.713 62.300 0.018 0.000 0.877 31 V CB 2.259 34.106 31.823 0.040 0.000 0.996 31 V HN 0.484 nan 8.190 nan 0.000 0.425 32 T N 5.647 120.188 114.554 -0.022 0.000 2.848 32 T HA 0.633 4.989 4.350 0.009 0.000 0.285 32 T C -0.803 173.862 174.700 -0.057 0.000 0.995 32 T CA -0.306 61.782 62.100 -0.020 0.000 0.970 32 T CB 1.604 70.451 68.868 -0.036 0.000 0.976 32 T HN 0.549 nan 8.240 nan 0.000 0.441 33 L N 4.073 125.266 121.223 -0.051 0.000 2.333 33 L HA 0.783 5.129 4.340 0.009 0.000 0.280 33 L C -1.219 175.611 176.870 -0.066 0.000 1.004 33 L CA -0.742 54.008 54.840 -0.150 0.000 0.820 33 L CB 1.043 42.840 42.059 -0.437 0.000 1.247 33 L HN 0.409 nan 8.230 nan 0.000 0.416 34 V N 4.415 124.269 119.914 -0.100 0.000 2.417 34 V HA 0.543 4.668 4.120 0.009 0.000 0.291 34 V C -0.546 175.502 176.094 -0.076 0.000 1.024 34 V CA -0.489 61.759 62.300 -0.087 0.000 0.861 34 V CB 1.498 33.282 31.823 -0.065 0.000 0.985 34 V HN 0.868 nan 8.190 nan 0.000 0.436 35 E N 2.383 122.553 120.200 -0.050 0.000 2.331 35 E HA 0.553 4.908 4.350 0.009 0.000 0.275 35 E C -0.907 175.698 176.600 0.008 0.000 0.895 35 E CA -0.687 55.709 56.400 -0.007 0.000 0.753 35 E CB 1.968 31.703 29.700 0.058 0.000 1.216 35 E HN 0.424 nan 8.360 nan 0.000 0.434 36 S N 1.212 116.923 115.700 0.018 0.000 2.549 36 S HA 0.228 4.704 4.470 0.009 0.000 0.286 36 S C 1.040 175.668 174.600 0.046 0.000 1.314 36 S CA 0.321 58.538 58.200 0.027 0.000 1.062 36 S CB 0.454 63.669 63.200 0.025 0.000 0.865 36 S HN 0.695 nan 8.310 nan 0.000 0.498 37 G N 3.079 111.905 108.800 0.044 0.000 2.813 37 G HA2 -0.019 3.946 3.960 0.009 0.000 0.209 37 G HA3 -0.019 3.946 3.960 0.009 0.000 0.209 37 G C 0.791 175.722 174.900 0.052 0.000 1.150 37 G CA 0.405 45.537 45.100 0.054 0.000 0.785 37 G HN 0.851 nan 8.290 nan 0.000 0.535 38 N N -1.404 117.323 118.700 0.045 0.000 2.168 38 N HA 0.116 4.862 4.740 0.009 0.000 0.216 38 N C -0.114 175.419 175.510 0.038 0.000 1.259 38 N CA -0.140 52.935 53.050 0.041 0.000 0.902 38 N CB 0.770 39.278 38.487 0.036 0.000 1.079 38 N HN -0.025 nan 8.380 nan 0.000 0.507 39 V N 2.769 122.705 119.914 0.036 0.000 2.348 39 V HA 0.310 4.435 4.120 0.009 0.000 0.270 39 V C 0.191 176.307 176.094 0.036 0.000 1.037 39 V CA -0.788 61.531 62.300 0.032 0.000 0.872 39 V CB 0.563 32.399 31.823 0.022 0.000 1.002 39 V HN 0.213 nan 8.190 nan 0.000 0.464 40 R N 4.111 124.635 120.500 0.040 0.000 2.643 40 R HA 0.296 4.641 4.340 0.009 0.000 0.270 40 R C 0.425 176.746 176.300 0.035 0.000 1.061 40 R CA -0.256 55.871 56.100 0.046 0.000 1.107 40 R CB 0.585 30.915 30.300 0.051 0.000 0.999 40 R HN 0.628 nan 8.270 nan 0.000 0.460 41 R N 0.984 121.511 120.500 0.044 0.000 2.738 41 R HA -0.035 4.310 4.340 0.009 0.000 0.268 41 R C 1.685 177.995 176.300 0.017 0.000 1.062 41 R CA -0.446 55.669 56.100 0.026 0.000 1.158 41 R CB 0.159 30.492 30.300 0.055 0.000 1.046 41 R HN 0.469 nan 8.270 nan 0.000 0.493 42 I N 1.296 121.851 120.570 -0.025 0.000 2.236 42 I HA -0.247 3.929 4.170 0.009 0.000 0.249 42 I C 1.525 177.666 176.117 0.040 0.000 1.102 42 I CA 2.723 64.008 61.300 -0.026 0.000 1.365 42 I CB -0.408 37.511 38.000 -0.135 0.000 1.051 42 I HN 1.047 nan 8.210 nan 0.000 0.420 43 G N -0.875 107.959 108.800 0.057 0.000 2.175 43 G HA2 -0.184 3.782 3.960 0.009 0.000 0.244 43 G HA3 -0.184 3.782 3.960 0.009 0.000 0.244 43 G C 0.439 175.411 174.900 0.120 0.000 0.982 43 G CA 0.465 45.621 45.100 0.093 0.000 0.641 43 G HN 1.015 nan 8.290 nan 0.000 0.527 44 V N -3.904 116.071 119.914 0.103 0.000 3.156 44 V HA 1.022 5.147 4.120 0.009 0.000 0.311 44 V C 0.782 176.913 176.094 0.062 0.000 1.208 44 V CA -0.383 61.981 62.300 0.106 0.000 1.063 44 V CB 1.445 33.346 31.823 0.129 0.000 1.098 44 V HN 2.176 nan 8.190 nan 0.000 0.452 45 G N 0.507 109.310 108.800 0.005 0.000 3.043 45 G HA2 -0.062 3.903 3.960 0.009 0.000 0.239 45 G HA3 -0.062 3.903 3.960 0.009 0.000 0.239 45 G C -0.364 174.600 174.900 0.107 0.000 1.042 45 G CA 0.194 45.319 45.100 0.042 0.000 1.189 45 G HN 0.997 nan 8.290 nan 0.000 0.578 46 E N -0.658 119.528 120.200 -0.024 0.000 2.601 46 E HA 0.456 4.811 4.350 0.009 0.000 0.219 46 E C 1.051 177.527 176.600 -0.206 0.000 0.964 46 E CA 0.467 56.840 56.400 -0.045 0.000 1.050 46 E CB 1.202 30.941 29.700 0.065 0.000 1.068 46 E HN 0.921 nan 8.360 nan 0.000 0.496 47 A N 1.333 124.076 122.820 -0.128 0.000 2.380 47 A HA 0.673 4.998 4.320 0.009 0.000 0.315 47 A C 0.013 177.586 177.584 -0.017 0.000 1.101 47 A CA -0.505 51.540 52.037 0.014 0.000 0.771 47 A CB 1.194 20.298 19.000 0.173 0.000 1.287 47 A HN 0.054 nan 8.150 nan 0.000 0.436 48 T N -1.597 112.990 114.554 0.056 0.000 2.907 48 T HA 0.727 5.082 4.350 0.009 0.000 0.290 48 T C -0.599 174.258 174.700 0.261 0.000 1.066 48 T CA -0.513 61.681 62.100 0.156 0.000 1.012 48 T CB 1.097 70.087 68.868 0.203 0.000 1.184 48 T HN 0.729 nan 8.240 nan 0.000 0.522 49 F N 0.901 120.881 119.950 0.051 0.000 2.450 49 F HA 0.515 5.048 4.527 0.009 0.000 0.328 49 F C 1.818 177.435 175.800 -0.306 0.000 1.068 49 F CA -0.764 57.183 58.000 -0.089 0.000 1.007 49 F CB 1.651 40.535 39.000 -0.193 0.000 1.251 49 F HN 0.762 nan 8.300 nan 0.000 0.492 50 S N -0.534 114.077 115.700 -1.814 0.000 2.419 50 S HA -0.218 4.257 4.470 0.009 0.000 0.235 50 S C 1.807 175.968 174.600 -0.732 0.000 1.019 50 S CA 1.480 58.817 58.200 -1.438 0.000 0.982 50 S CB -1.492 60.785 63.200 -1.540 0.000 0.789 50 S HN 0.858 nan 8.310 nan 0.000 0.490 51 T N -0.343 113.899 114.554 -0.520 0.000 2.977 51 T HA 0.036 4.391 4.350 0.009 0.000 0.271 51 T C 1.592 176.354 174.700 0.104 0.000 1.105 51 T CA 0.811 62.921 62.100 0.017 0.000 1.116 51 T CB -0.803 68.302 68.868 0.396 0.000 0.878 51 T HN 0.222 nan 8.240 nan 0.000 0.509 52 V N 3.123 123.098 119.914 0.101 0.000 2.490 52 V HA -0.210 3.915 4.120 0.009 0.000 0.250 52 V C 2.905 179.238 176.094 0.398 0.000 1.061 52 V CA 2.048 64.520 62.300 0.286 0.000 1.064 52 V CB -0.693 31.363 31.823 0.388 0.000 0.670 52 V HN 0.712 nan 8.190 nan 0.000 0.461 53 R N -0.949 119.707 120.500 0.259 0.000 2.117 53 R HA -0.240 4.105 4.340 0.009 0.000 0.243 53 R C 2.033 178.445 176.300 0.185 0.000 1.143 53 R CA 2.210 58.459 56.100 0.250 0.000 0.968 53 R CB -1.057 29.224 30.300 -0.031 0.000 0.863 53 R HN 0.569 nan 8.270 nan 0.000 0.444 54 H N -0.275 118.938 119.070 0.239 0.000 2.423 54 H HA -0.086 4.475 4.556 0.009 0.000 0.297 54 H C 1.786 177.251 175.328 0.229 0.000 1.075 54 H CA 1.389 57.562 56.048 0.208 0.000 1.342 54 H CB -0.366 29.499 29.762 0.173 0.000 1.395 54 H HN 0.292 nan 8.280 nan 0.000 0.530 55 F N 0.898 120.950 119.950 0.170 0.000 2.113 55 F HA -0.166 4.367 4.527 0.009 0.000 0.297 55 F C 1.975 177.696 175.800 -0.133 0.000 1.103 55 F CA 1.080 59.076 58.000 -0.008 0.000 1.248 55 F CB -0.574 38.277 39.000 -0.249 0.000 0.999 55 F HN -0.108 nan 8.300 nan 0.000 0.475 56 F N 1.060 121.005 119.950 -0.007 0.000 2.186 56 F HA -0.163 4.369 4.527 0.009 0.000 0.299 56 F C 2.323 178.066 175.800 -0.095 0.000 1.090 56 F CA 1.535 59.408 58.000 -0.212 0.000 1.307 56 F CB -0.955 37.881 39.000 -0.274 0.000 1.019 56 F HN -0.025 nan 8.300 nan 0.000 0.489 57 D N -0.965 119.558 120.400 0.205 0.000 2.123 57 D HA -0.247 4.398 4.640 0.009 0.000 0.196 57 D C 2.026 178.366 176.300 0.066 0.000 0.992 57 D CA 1.317 55.411 54.000 0.158 0.000 0.833 57 D CB -0.711 40.214 40.800 0.208 0.000 0.954 57 D HN 0.306 nan 8.370 nan 0.000 0.455 58 Y N 0.645 120.889 120.300 -0.093 0.000 2.242 58 Y HA -0.136 4.420 4.550 0.009 0.000 0.291 58 Y C 1.961 177.681 175.900 -0.300 0.000 1.137 58 Y CA 0.871 58.852 58.100 -0.197 0.000 1.181 58 Y CB -0.107 38.215 38.460 -0.230 0.000 0.989 58 Y HN -0.118 nan 8.280 nan 0.000 0.527 59 L N -0.007 121.043 121.223 -0.288 0.000 2.465 59 L HA 0.118 4.463 4.340 0.009 0.000 0.224 59 L C 1.784 178.593 176.870 -0.102 0.000 1.145 59 L CA 1.475 56.114 54.840 -0.335 0.000 0.834 59 L CB -1.008 40.611 42.059 -0.733 0.000 0.944 59 L HN 0.437 nan 8.230 nan 0.000 0.451 60 G N -0.460 108.297 108.800 -0.073 0.000 2.149 60 G HA2 -0.248 3.717 3.960 0.009 0.000 0.235 60 G HA3 -0.248 3.717 3.960 0.009 0.000 0.235 60 G C 0.048 175.006 174.900 0.096 0.000 1.018 60 G CA 0.057 45.163 45.100 0.011 0.000 0.728 60 G HN 0.247 nan 8.290 nan 0.000 0.508 61 L N 0.662 121.967 121.223 0.137 0.000 2.298 61 L HA 0.486 4.831 4.340 0.009 0.000 0.284 61 L C 0.121 177.183 176.870 0.320 0.000 1.013 61 L CA -1.013 53.979 54.840 0.253 0.000 0.824 61 L CB 1.538 43.793 42.059 0.327 0.000 1.221 61 L HN 0.157 nan 8.230 nan 0.000 0.418 62 D N 1.414 121.963 120.400 0.248 0.000 2.372 62 D HA -0.013 4.632 4.640 0.009 0.000 0.243 62 D C 1.293 177.701 176.300 0.181 0.000 1.121 62 D CA -0.091 54.033 54.000 0.208 0.000 0.898 62 D CB 1.173 42.045 40.800 0.120 0.000 1.202 62 D HN 0.685 nan 8.370 nan 0.000 0.428 63 E N 2.795 123.041 120.200 0.077 0.000 2.160 63 E HA -0.287 4.068 4.350 0.009 0.000 0.195 63 E C 1.451 177.769 176.600 -0.470 0.000 0.991 63 E CA 0.944 57.099 56.400 -0.409 0.000 0.810 63 E CB -0.014 29.631 29.700 -0.092 0.000 0.742 63 E HN 0.419 nan 8.360 nan 0.000 0.466 64 R N 0.395 120.800 120.500 -0.158 0.000 2.152 64 R HA -0.147 4.198 4.340 0.009 0.000 0.232 64 R C 2.224 178.412 176.300 -0.187 0.000 1.117 64 R CA 1.608 57.618 56.100 -0.150 0.000 0.981 64 R CB -0.138 30.135 30.300 -0.045 0.000 0.870 64 R HN 0.363 nan 8.270 nan 0.000 0.451 65 E N 0.620 120.747 120.200 -0.122 0.000 2.075 65 E HA -0.128 4.227 4.350 0.009 0.000 0.190 65 E C 1.856 178.389 176.600 -0.112 0.000 0.969 65 E CA 0.974 57.347 56.400 -0.045 0.000 0.815 65 E CB -0.303 29.455 29.700 0.097 0.000 0.776 65 E HN 0.480 nan 8.360 nan 0.000 0.457 66 W N 0.394 121.532 121.300 -0.271 0.000 2.525 66 W HA 0.067 4.732 4.660 0.008 0.000 0.288 66 W C 1.434 177.578 176.519 -0.626 0.000 1.200 66 W CA -0.015 56.989 57.345 -0.568 0.000 1.349 66 W CB -0.787 28.383 29.460 -0.483 0.000 1.102 66 W HN 0.157 nan 8.180 nan 0.000 0.558 67 L N 3.063 123.513 121.223 -1.289 0.000 1.989 67 L HA -0.091 4.254 4.340 0.009 0.000 0.211 67 L C -0.570 175.926 176.870 -0.623 0.000 1.071 67 L CA 2.381 56.480 54.840 -1.234 0.000 0.749 67 L CB -2.017 39.227 42.059 -1.358 0.000 0.890 67 L HN -0.250 nan 8.230 nan 0.000 0.431 68 P HA -0.141 nan 4.420 nan 0.000 0.222 68 P C 1.366 178.470 177.300 -0.327 0.000 1.147 68 P CA 1.157 63.980 63.100 -0.462 0.000 0.790 68 P CB -0.007 31.435 31.700 -0.429 0.000 0.780 69 R N -0.789 119.514 120.500 -0.330 0.000 2.200 69 R HA 0.055 4.400 4.340 0.009 0.000 0.208 69 R C 1.001 177.161 176.300 -0.233 0.000 1.033 69 R CA 1.064 57.003 56.100 -0.269 0.000 1.000 69 R CB -0.914 29.173 30.300 -0.355 0.000 0.906 69 R HN 0.100 nan 8.270 nan 0.000 0.462 70 C N 0.267 119.428 119.300 -0.232 0.000 2.780 70 C HA 0.542 5.007 4.460 0.009 0.000 0.287 70 C C 0.781 175.786 174.990 0.025 0.000 1.288 70 C CA -0.099 58.877 59.018 -0.069 0.000 1.713 70 C CB -0.781 26.958 27.740 -0.001 0.000 1.955 70 C HN 0.598 nan 8.230 nan 0.000 0.613 71 A N 0.352 123.144 122.820 -0.047 0.000 2.832 71 A HA -0.033 4.292 4.320 0.009 0.000 0.280 71 A C 0.795 178.437 177.584 0.095 0.000 1.464 71 A CA 0.836 52.890 52.037 0.028 0.000 0.804 71 A CB -1.762 17.308 19.000 0.115 0.000 1.020 71 A HN 0.801 nan 8.150 nan 0.000 0.563 72 G N -1.924 106.874 108.800 -0.004 0.000 2.537 72 G HA2 0.792 4.757 3.960 0.009 0.000 0.297 72 G HA3 0.792 4.757 3.960 0.009 0.000 0.297 72 G C 0.418 175.312 174.900 -0.010 0.000 1.310 72 G CA -0.037 45.105 45.100 0.070 0.000 1.027 72 G HN 1.634 nan 8.290 nan 0.000 0.505 73 G N -2.312 106.509 108.800 0.035 0.000 2.975 73 G HA2 0.557 4.523 3.960 0.009 0.000 0.291 73 G HA3 0.557 4.523 3.960 0.009 0.000 0.291 73 G C -1.873 172.923 174.900 -0.174 0.000 1.334 73 G CA -0.852 44.221 45.100 -0.044 0.000 0.843 73 G HN 0.451 nan 8.290 nan 0.000 0.548 74 Y N -0.023 120.330 120.300 0.089 0.000 2.361 74 Y HA 0.563 5.118 4.550 0.009 0.000 0.332 74 Y C 0.570 176.341 175.900 -0.214 0.000 1.101 74 Y CA -0.453 57.599 58.100 -0.079 0.000 1.137 74 Y CB 2.164 40.526 38.460 -0.164 0.000 1.207 74 Y HN 0.293 nan 8.280 nan 0.000 0.463 75 K N 4.215 124.544 120.400 -0.118 0.000 2.464 75 K HA 0.354 4.680 4.320 0.009 0.000 0.252 75 K C -0.370 176.365 176.600 0.224 0.000 1.000 75 K CA -0.192 56.032 56.287 -0.104 0.000 0.951 75 K CB 0.365 32.701 32.500 -0.273 0.000 1.183 75 K HN 0.856 nan 8.250 nan 0.000 0.445 76 L N 2.343 123.675 121.223 0.182 0.000 2.492 76 L HA 0.246 4.591 4.340 0.009 0.000 0.223 76 L C 1.023 177.905 176.870 0.021 0.000 1.132 76 L CA 0.403 55.348 54.840 0.174 0.000 0.850 76 L CB 0.150 42.223 42.059 0.023 0.000 0.966 76 L HN 0.903 nan 8.230 nan 0.000 0.454 77 G N -0.184 108.556 108.800 -0.101 0.000 2.344 77 G HA2 0.275 4.241 3.960 0.009 0.000 0.282 77 G HA3 0.275 4.241 3.960 0.009 0.000 0.282 77 G C -1.691 173.125 174.900 -0.138 0.000 1.281 77 G CA -0.807 44.039 45.100 -0.423 0.000 0.877 77 G HN -0.106 nan 8.290 nan 0.000 0.494 78 I N 0.481 120.953 120.570 -0.164 0.000 2.465 78 I HA 0.527 4.703 4.170 0.009 0.000 0.291 78 I C 0.234 176.201 176.117 -0.251 0.000 1.014 78 I CA -0.787 60.404 61.300 -0.181 0.000 1.093 78 I CB 2.237 40.005 38.000 -0.387 0.000 1.267 78 I HN 0.482 nan 8.210 nan 0.000 0.431 79 R N 5.754 126.050 120.500 -0.340 0.000 2.207 79 R HA 0.442 4.787 4.340 0.009 0.000 0.334 79 R C -1.652 174.287 176.300 -0.601 0.000 1.013 79 R CA -0.402 55.333 56.100 -0.608 0.000 0.858 79 R CB 0.582 30.466 30.300 -0.694 0.000 1.094 79 R HN 0.402 nan 8.270 nan 0.000 0.457 80 F N 3.362 122.940 119.950 -0.621 0.000 2.371 80 F HA 0.276 4.809 4.527 0.011 0.000 0.363 80 F C 0.327 176.048 175.800 -0.130 0.000 1.122 80 F CA -0.295 57.418 58.000 -0.478 0.000 1.129 80 F CB 1.348 39.676 39.000 -1.120 0.000 1.173 80 F HN 0.383 nan 8.300 nan 0.000 0.489 81 E N 2.760 123.142 120.200 0.304 0.000 2.166 81 E HA 0.279 4.635 4.350 0.009 0.000 0.275 81 E C -0.188 176.553 176.600 0.236 0.000 0.941 81 E CA -0.551 55.989 56.400 0.234 0.000 0.784 81 E CB 0.954 30.697 29.700 0.071 0.000 1.115 81 E HN 0.547 nan 8.360 nan 0.000 0.399 82 N N 1.397 120.197 118.700 0.166 0.000 2.850 82 N HA -0.184 4.561 4.740 0.009 0.000 0.249 82 N C -0.083 175.346 175.510 -0.135 0.000 1.060 82 N CA 0.833 53.877 53.050 -0.010 0.000 0.825 82 N CB -1.290 37.136 38.487 -0.102 0.000 1.132 82 N HN 0.654 nan 8.380 nan 0.000 0.564 83 W N 0.690 121.953 121.300 -0.062 0.000 2.436 83 W HA 0.111 4.774 4.660 0.006 0.000 0.284 83 W C 2.062 178.452 176.519 -0.216 0.000 1.225 83 W CA 1.320 58.568 57.345 -0.163 0.000 1.271 83 W CB 0.052 29.498 29.460 -0.023 0.000 1.114 83 W HN 0.062 nan 8.180 nan 0.000 0.559 84 S N -1.786 113.974 115.700 0.100 0.000 3.420 84 S HA 0.083 4.559 4.470 0.009 0.000 0.173 84 S C -0.003 174.591 174.600 -0.009 0.000 0.800 84 S CA -0.496 57.719 58.200 0.025 0.000 0.963 84 S CB -0.280 62.953 63.200 0.056 0.000 1.236 84 S HN -0.232 nan 8.310 nan 0.000 0.827 85 E N 3.172 123.386 120.200 0.024 0.000 2.360 85 E HA 0.255 4.610 4.350 0.009 0.000 0.269 85 E C -2.599 174.010 176.600 0.014 0.000 1.022 85 E CA -1.808 54.599 56.400 0.013 0.000 0.887 85 E CB 0.195 29.909 29.700 0.023 0.000 0.990 85 E HN 0.164 nan 8.360 nan 0.000 0.426 86 P HA 0.100 nan 4.420 nan 0.000 0.275 86 P C 0.708 178.021 177.300 0.021 0.000 1.227 86 P CA 0.219 63.312 63.100 -0.012 0.000 0.781 86 P CB 0.708 32.392 31.700 -0.026 0.000 0.906 87 G N 0.946 109.767 108.800 0.036 0.000 2.184 87 G HA2 -0.219 3.747 3.960 0.009 0.000 0.264 87 G HA3 -0.219 3.747 3.960 0.009 0.000 0.264 87 G C 0.182 175.164 174.900 0.137 0.000 0.975 87 G CA -0.054 45.090 45.100 0.073 0.000 0.642 87 G HN 0.553 nan 8.290 nan 0.000 0.536 88 E N -0.400 119.874 120.200 0.123 0.000 2.283 88 E HA 0.652 5.008 4.350 0.009 0.000 0.267 88 E C -0.067 176.676 176.600 0.237 0.000 1.045 88 E CA -0.221 56.254 56.400 0.126 0.000 0.884 88 E CB 1.380 31.126 29.700 0.076 0.000 1.106 88 E HN 0.705 nan 8.360 nan 0.000 0.408 89 Y N -0.836 119.530 120.300 0.111 0.000 2.689 89 Y HA 0.667 5.222 4.550 0.009 0.000 0.333 89 Y C -1.268 174.731 175.900 0.165 0.000 1.208 89 Y CA -1.493 56.642 58.100 0.059 0.000 1.055 89 Y CB 0.974 39.360 38.460 -0.123 0.000 1.304 89 Y HN 0.462 nan 8.280 nan 0.000 0.455 90 F N -1.210 118.791 119.950 0.084 0.000 2.711 90 F HA 0.792 5.325 4.527 0.009 0.000 0.313 90 F C -2.301 173.482 175.800 -0.028 0.000 1.141 90 F CA -1.987 56.043 58.000 0.050 0.000 0.941 90 F CB 1.260 40.307 39.000 0.078 0.000 1.349 90 F HN 0.468 nan 8.300 nan 0.000 0.464 91 Y N 0.322 120.797 120.300 0.292 0.000 2.387 91 Y HA 0.358 4.913 4.550 0.009 0.000 0.336 91 Y C -0.310 175.777 175.900 0.312 0.000 1.067 91 Y CA -0.654 57.505 58.100 0.098 0.000 1.114 91 Y CB 1.233 39.658 38.460 -0.059 0.000 1.208 91 Y HN 0.764 nan 8.280 nan 0.000 0.458 92 H N 5.280 124.510 119.070 0.266 0.000 2.685 92 H HA 0.357 4.919 4.556 0.010 0.000 0.286 92 H C -2.805 172.522 175.328 -0.001 0.000 1.102 92 H CA -2.520 53.663 56.048 0.225 0.000 1.254 92 H CB 0.900 30.864 29.762 0.336 0.000 1.397 92 H HN 0.398 nan 8.280 nan 0.000 0.473 93 P HA 0.156 nan 4.420 nan 0.000 0.285 93 P C -0.905 176.292 177.300 -0.170 0.000 1.280 93 P CA -0.831 62.124 63.100 -0.242 0.000 0.862 93 P CB 1.262 32.773 31.700 -0.315 0.000 1.153 94 F N 0.798 120.780 119.950 0.052 0.000 2.567 94 F HA 0.398 4.931 4.527 0.009 0.000 0.352 94 F C 0.968 176.780 175.800 0.020 0.000 1.229 94 F CA 0.172 58.232 58.000 0.099 0.000 1.228 94 F CB -0.382 38.653 39.000 0.058 0.000 1.568 94 F HN 0.283 nan 8.300 nan 0.000 0.634 95 E N 1.821 121.969 120.200 -0.085 0.000 2.343 95 E HA 0.328 4.683 4.350 0.009 0.000 0.286 95 E C -0.863 175.363 176.600 -0.625 0.000 0.915 95 E CA -0.815 55.454 56.400 -0.219 0.000 0.784 95 E CB 1.366 31.121 29.700 0.091 0.000 1.251 95 E HN 0.384 nan 8.360 nan 0.000 0.407 96 R N 3.035 123.217 120.500 -0.529 0.000 2.490 96 R HA 0.336 4.681 4.340 0.009 0.000 0.280 96 R C -0.049 176.179 176.300 -0.120 0.000 1.077 96 R CA -0.427 55.410 56.100 -0.437 0.000 1.065 96 R CB 0.638 30.808 30.300 -0.218 0.000 1.003 96 R HN 0.444 nan 8.270 nan 0.000 0.470 97 L N 3.716 124.958 121.223 0.031 0.000 2.453 97 L HA 0.130 4.476 4.340 0.009 0.000 0.272 97 L C 0.874 177.754 176.870 0.017 0.000 1.182 97 L CA 0.192 55.063 54.840 0.052 0.000 0.858 97 L CB 0.261 42.408 42.059 0.147 0.000 1.120 97 L HN 0.396 nan 8.230 nan 0.000 0.474 98 R N 1.960 122.451 120.500 -0.016 0.000 2.641 98 R HA 0.393 4.739 4.340 0.009 0.000 0.269 98 R C -0.820 175.507 176.300 0.044 0.000 1.074 98 R CA -0.519 55.576 56.100 -0.008 0.000 1.133 98 R CB 0.801 31.076 30.300 -0.041 0.000 1.029 98 R HN 0.318 nan 8.270 nan 0.000 0.488 99 V N 2.505 122.453 119.914 0.057 0.000 2.495 99 V HA 0.348 4.473 4.120 0.009 0.000 0.298 99 V C -0.483 175.686 176.094 0.126 0.000 1.031 99 V CA -0.700 61.672 62.300 0.119 0.000 0.871 99 V CB 2.043 33.917 31.823 0.085 0.000 0.988 99 V HN 0.414 nan 8.190 nan 0.000 0.432 100 V N 3.418 123.485 119.914 0.255 0.000 2.483 100 V HA 0.451 4.577 4.120 0.009 0.000 0.297 100 V C -0.201 176.154 176.094 0.435 0.000 1.027 100 V CA -0.570 61.851 62.300 0.202 0.000 0.855 100 V CB 1.538 33.316 31.823 -0.076 0.000 0.995 100 V HN 0.981 nan 8.190 nan 0.000 0.424 101 D N 4.382 124.945 120.400 0.270 0.000 2.708 101 D HA -0.192 4.453 4.640 0.009 0.000 0.236 101 D C 1.314 177.820 176.300 0.343 0.000 1.146 101 D CA 1.928 56.115 54.000 0.313 0.000 0.662 101 D CB -1.050 39.985 40.800 0.392 0.000 1.059 101 D HN 1.433 nan 8.370 nan 0.000 0.428 102 G N -1.671 107.232 108.800 0.172 0.000 2.199 102 G HA2 -0.315 3.650 3.960 0.009 0.000 0.254 102 G HA3 -0.315 3.650 3.960 0.009 0.000 0.254 102 G C 0.148 174.853 174.900 -0.325 0.000 0.982 102 G CA 0.208 45.257 45.100 -0.085 0.000 0.632 102 G HN 0.403 nan 8.290 nan 0.000 0.529 103 F N 1.515 121.542 119.950 0.128 0.000 2.520 103 F HA 0.558 5.090 4.527 0.008 0.000 0.322 103 F C 0.464 176.353 175.800 0.147 0.000 1.103 103 F CA -0.886 57.117 58.000 0.005 0.000 0.926 103 F CB 1.429 40.203 39.000 -0.378 0.000 1.154 103 F HN 0.247 nan 8.300 nan 0.000 0.453 104 N N 1.856 120.711 118.700 0.258 0.000 2.371 104 N HA 0.041 4.786 4.740 0.009 0.000 0.243 104 N C 0.737 176.460 175.510 0.356 0.000 1.287 104 N CA -0.317 52.889 53.050 0.260 0.000 0.911 104 N CB 0.523 39.128 38.487 0.196 0.000 1.142 104 N HN 0.487 nan 8.380 nan 0.000 0.451 105 M N -0.208 119.564 119.600 0.287 0.000 2.279 105 M HA -0.035 4.451 4.480 0.009 0.000 0.264 105 M C 1.879 178.479 176.300 0.500 0.000 1.062 105 M CA 1.221 56.702 55.300 0.301 0.000 1.099 105 M CB -1.860 30.746 32.600 0.011 0.000 1.394 105 M HN 0.832 nan 8.290 nan 0.000 0.426 106 A N 0.340 123.428 122.820 0.447 0.000 1.883 106 A HA -0.162 4.164 4.320 0.009 0.000 0.217 106 A C 2.140 179.953 177.584 0.383 0.000 1.186 106 A CA 1.507 53.826 52.037 0.470 0.000 0.624 106 A CB -0.488 18.652 19.000 0.233 0.000 0.822 106 A HN 0.416 nan 8.150 nan 0.000 0.444 107 E N -0.799 119.548 120.200 0.245 0.000 2.058 107 E HA -0.244 4.111 4.350 0.009 0.000 0.194 107 E C 1.869 178.514 176.600 0.075 0.000 0.997 107 E CA 1.378 57.825 56.400 0.078 0.000 0.801 107 E CB -0.458 29.221 29.700 -0.035 0.000 0.746 107 E HN 0.885 nan 8.360 nan 0.000 0.450 108 W N -0.049 121.395 121.300 0.240 0.000 2.363 108 W HA -0.167 4.499 4.660 0.011 0.000 0.296 108 W C 2.270 179.025 176.519 0.393 0.000 1.212 108 W CA 0.234 57.734 57.345 0.259 0.000 1.260 108 W CB -0.626 28.984 29.460 0.250 0.000 1.131 108 W HN 0.222 nan 8.180 nan 0.000 0.530 109 W N 0.743 122.405 121.300 0.603 0.000 2.338 109 W HA -0.211 4.453 4.660 0.007 0.000 0.304 109 W C 1.928 178.538 176.519 0.152 0.000 1.212 109 W CA 1.890 59.456 57.345 0.368 0.000 1.264 109 W CB -0.674 29.036 29.460 0.416 0.000 1.142 109 W HN -0.211 nan 8.180 nan 0.000 0.512 110 L N 0.247 121.547 121.223 0.128 0.000 2.131 110 L HA -0.166 4.179 4.340 0.009 0.000 0.210 110 L C 2.616 179.379 176.870 -0.177 0.000 1.092 110 L CA 1.361 56.116 54.840 -0.142 0.000 0.759 110 L CB -1.192 40.867 42.059 -0.000 0.000 0.903 110 L HN 0.118 nan 8.230 nan 0.000 0.435 111 A N -0.414 122.375 122.820 -0.050 0.000 1.903 111 A HA -0.015 4.310 4.320 0.009 0.000 0.213 111 A C 1.887 179.453 177.584 -0.031 0.000 1.185 111 A CA 1.508 53.522 52.037 -0.038 0.000 0.628 111 A CB -0.155 18.847 19.000 0.004 0.000 0.830 111 A HN 0.281 nan 8.150 nan 0.000 0.446 112 V N -3.784 116.143 119.914 0.022 0.000 3.398 112 V HA 0.485 4.610 4.120 0.009 0.000 0.298 112 V C 1.057 177.052 176.094 -0.164 0.000 1.496 112 V CA 0.188 62.486 62.300 -0.003 0.000 1.044 112 V CB -0.682 31.228 31.823 0.145 0.000 0.880 112 V HN 0.429 nan 8.190 nan 0.000 0.443 119 F N 2.936 122.407 119.950 -0.799 0.000 2.046 119 F HA -0.043 4.490 4.527 0.011 0.000 0.297 119 F C 2.693 178.136 175.800 -0.595 0.000 1.123 119 F CA 3.138 60.301 58.000 -1.394 0.000 1.199 119 F CB -1.025 37.187 39.000 -1.314 0.000 0.972 119 F HN 0.860 nan 8.300 nan 0.000 0.474 120 S N -0.548 114.807 115.700 -0.576 0.000 2.383 120 S HA -0.285 4.190 4.470 0.009 0.000 0.229 120 S C 2.058 176.493 174.600 -0.275 0.000 1.030 120 S CA 1.386 59.431 58.200 -0.259 0.000 1.002 120 S CB -1.018 62.415 63.200 0.388 0.000 0.829 120 S HN 0.726 nan 8.310 nan 0.000 0.467 121 E N 1.563 121.426 120.200 -0.560 0.000 2.072 121 E HA -0.052 4.303 4.350 0.009 0.000 0.191 121 E C 2.173 178.566 176.600 -0.346 0.000 0.985 121 E CA 0.919 56.837 56.400 -0.804 0.000 0.801 121 E CB -0.421 28.800 29.700 -0.799 0.000 0.750 121 E HN 0.682 nan 8.360 nan 0.000 0.452 122 A N -0.073 122.571 122.820 -0.294 0.000 1.929 122 A HA -0.124 4.201 4.320 0.009 0.000 0.216 122 A C 2.221 179.813 177.584 0.014 0.000 1.176 122 A CA 1.199 53.183 52.037 -0.089 0.000 0.628 122 A CB -0.332 18.634 19.000 -0.057 0.000 0.816 122 A HN 0.484 nan 8.150 nan 0.000 0.444 123 C N -2.617 116.498 119.300 -0.309 0.000 2.735 123 C HA 0.359 4.824 4.460 0.009 0.000 0.271 123 C C -0.126 174.559 174.990 -0.509 0.000 1.281 123 C CA -0.451 58.299 59.018 -0.447 0.000 1.719 123 C CB -1.159 26.049 27.740 -0.887 0.000 2.024 123 C HN 0.502 nan 8.230 nan 0.000 0.566 124 Y N -0.122 120.110 120.300 -0.113 0.000 2.361 124 Y HA 0.403 4.958 4.550 0.008 0.000 0.337 124 Y C 0.803 176.727 175.900 0.039 0.000 0.965 124 Y CA -1.014 57.078 58.100 -0.014 0.000 1.091 124 Y CB 0.655 39.100 38.460 -0.025 0.000 1.182 124 Y HN -0.080 nan 8.280 nan 0.000 0.450 125 L N 0.745 122.133 121.223 0.276 0.000 2.046 125 L HA -0.192 4.153 4.340 0.009 0.000 0.208 125 L C 1.842 178.733 176.870 0.036 0.000 1.077 125 L CA 1.721 56.648 54.840 0.145 0.000 0.747 125 L CB -0.441 41.725 42.059 0.179 0.000 0.896 125 L HN 0.748 nan 8.230 nan 0.000 0.432 126 T N -2.003 112.605 114.554 0.091 0.000 2.778 126 T HA -0.295 4.060 4.350 0.009 0.000 0.269 126 T C 1.720 176.304 174.700 -0.194 0.000 1.050 126 T CA 1.690 63.747 62.100 -0.072 0.000 1.137 126 T CB -0.386 68.484 68.868 0.002 0.000 0.860 126 T HN 0.480 nan 8.240 nan 0.000 0.468 127 H N 1.119 120.079 119.070 -0.184 0.000 2.319 127 H HA -0.050 4.511 4.556 0.008 0.000 0.299 127 H C 2.518 177.669 175.328 -0.294 0.000 1.092 127 H CA 1.437 57.305 56.048 -0.301 0.000 1.302 127 H CB 0.191 29.924 29.762 -0.049 0.000 1.373 127 H HN 0.027 nan 8.280 nan 0.000 0.497 128 R N -0.117 120.396 120.500 0.022 0.000 2.075 128 R HA -0.088 4.257 4.340 0.009 0.000 0.232 128 R C 2.362 178.576 176.300 -0.144 0.000 1.126 128 R CA 0.822 56.913 56.100 -0.016 0.000 0.963 128 R CB -0.800 29.492 30.300 -0.013 0.000 0.858 128 R HN 0.318 nan 8.270 nan 0.000 0.435 129 L N 0.411 121.494 121.223 -0.232 0.000 2.042 129 L HA -0.185 4.161 4.340 0.009 0.000 0.210 129 L C 2.629 179.364 176.870 -0.225 0.000 1.076 129 L CA 1.493 56.163 54.840 -0.284 0.000 0.749 129 L CB -0.864 40.931 42.059 -0.441 0.000 0.893 129 L HN 0.155 nan 8.230 nan 0.000 0.432 130 C N -1.004 118.101 119.300 -0.326 0.000 2.453 130 C HA -0.107 4.359 4.460 0.009 0.000 0.277 130 C C 2.695 177.615 174.990 -0.117 0.000 1.262 130 C CA 0.283 59.123 59.018 -0.295 0.000 1.718 130 C CB -0.663 26.460 27.740 -1.028 0.000 2.031 130 C HN 0.513 nan 8.230 nan 0.000 0.480 131 E N 0.916 120.983 120.200 -0.221 0.000 2.118 131 E HA -0.137 4.218 4.350 0.009 0.000 0.195 131 E C 2.095 178.711 176.600 0.025 0.000 0.992 131 E CA 1.594 57.981 56.400 -0.020 0.000 0.804 131 E CB -0.440 29.278 29.700 0.031 0.000 0.741 131 E HN 0.673 nan 8.360 nan 0.000 0.458 132 A N 0.363 123.173 122.820 -0.017 0.000 2.275 132 A HA 0.047 4.372 4.320 0.009 0.000 0.212 132 A C 0.409 177.986 177.584 -0.011 0.000 1.201 132 A CA 0.021 52.051 52.037 -0.012 0.000 0.843 132 A CB -0.201 18.777 19.000 -0.036 0.000 0.873 132 A HN 0.183 nan 8.150 nan 0.000 0.492 133 K N 0.027 120.434 120.400 0.011 0.000 3.096 133 K HA -0.153 4.172 4.320 0.009 0.000 0.266 133 K C -0.438 176.152 176.600 -0.016 0.000 1.043 133 K CA 0.483 56.784 56.287 0.023 0.000 0.758 133 K CB -1.018 31.499 32.500 0.028 0.000 1.260 133 K HN 0.444 nan 8.250 nan 0.000 0.481 134 R N 0.185 120.638 120.500 -0.079 0.000 2.560 134 R HA 0.472 4.817 4.340 0.009 0.000 0.270 134 R C 0.638 176.832 176.300 -0.177 0.000 1.074 134 R CA 0.114 56.135 56.100 -0.133 0.000 1.140 134 R CB 0.554 30.726 30.300 -0.214 0.000 1.073 134 R HN 0.318 nan 8.270 nan 0.000 0.527 135 A N 2.930 125.627 122.820 -0.204 0.000 2.322 135 A HA 0.371 4.696 4.320 0.009 0.000 0.269 135 A C -1.575 175.675 177.584 -0.557 0.000 1.094 135 A CA -1.253 50.561 52.037 -0.372 0.000 0.807 135 A CB 0.216 19.043 19.000 -0.287 0.000 1.047 135 A HN 0.479 nan 8.150 nan 0.000 0.487 136 P HA 0.065 nan 4.420 nan 0.000 0.249 136 P C -0.121 176.933 177.300 -0.411 0.000 1.229 136 P CA 0.620 63.362 63.100 -0.597 0.000 0.788 136 P CB 0.222 31.337 31.700 -0.975 0.000 1.072 137 R N -0.453 119.657 120.500 -0.650 0.000 2.750 137 R HA 0.507 4.852 4.340 0.009 0.000 0.281 137 R C 0.492 176.525 176.300 -0.443 0.000 0.972 137 R CA -1.117 54.630 56.100 -0.588 0.000 0.912 137 R CB 1.508 31.218 30.300 -0.983 0.000 1.187 137 R HN -0.063 nan 8.270 nan 0.000 0.464 138 M N 2.211 121.689 119.600 -0.204 0.000 2.198 138 M HA 0.073 4.558 4.480 0.009 0.000 0.315 138 M C 1.665 178.007 176.300 0.070 0.000 1.134 138 M CA 0.245 55.509 55.300 -0.059 0.000 1.171 138 M CB 0.346 32.935 32.600 -0.017 0.000 1.413 138 M HN 0.619 nan 8.290 nan 0.000 0.467 139 L N 0.896 122.207 121.223 0.146 0.000 2.191 139 L HA -0.236 4.110 4.340 0.009 0.000 0.212 139 L C 1.573 178.555 176.870 0.186 0.000 1.103 139 L CA 1.141 56.118 54.840 0.228 0.000 0.769 139 L CB -0.700 41.429 42.059 0.117 0.000 0.908 139 L HN 0.729 nan 8.230 nan 0.000 0.438 140 D N -0.653 119.817 120.400 0.117 0.000 2.363 140 D HA -0.001 4.644 4.640 0.009 0.000 0.226 140 D C 1.511 177.877 176.300 0.110 0.000 1.020 140 D CA 0.810 54.863 54.000 0.087 0.000 0.892 140 D CB 0.007 40.837 40.800 0.049 0.000 0.900 140 D HN 0.262 nan 8.370 nan 0.000 0.531 141 G N -0.057 108.846 108.800 0.172 0.000 2.175 141 G HA2 -0.287 3.678 3.960 0.009 0.000 0.244 141 G HA3 -0.287 3.678 3.960 0.009 0.000 0.244 141 G C 0.386 175.312 174.900 0.044 0.000 0.982 141 G CA 0.323 45.523 45.100 0.166 0.000 0.641 141 G HN 0.863 nan 8.290 nan 0.000 0.527 142 S N 0.336 116.044 115.700 0.014 0.000 2.564 142 S HA 0.653 5.128 4.470 0.009 0.000 0.278 142 S C 0.406 174.975 174.600 -0.052 0.000 1.333 142 S CA -0.562 57.632 58.200 -0.010 0.000 1.048 142 S CB 2.189 65.386 63.200 -0.005 0.000 0.900 142 S HN 1.030 nan 8.310 nan 0.000 0.505 143 L N 3.454 124.646 121.223 -0.051 0.000 2.461 143 L HA 0.252 4.597 4.340 0.009 0.000 0.272 143 L C 1.138 177.933 176.870 -0.124 0.000 1.197 143 L CA -0.276 54.510 54.840 -0.089 0.000 0.836 143 L CB -0.101 41.904 42.059 -0.090 0.000 1.105 143 L HN 0.842 nan 8.230 nan 0.000 0.477 144 F N 2.866 122.702 119.950 -0.191 0.000 2.171 144 F HA 0.130 4.662 4.527 0.008 0.000 0.300 144 F C 1.348 177.020 175.800 -0.213 0.000 1.090 144 F CA 0.354 58.218 58.000 -0.228 0.000 1.293 144 F CB -1.070 37.744 39.000 -0.311 0.000 1.013 144 F HN 0.516 nan 8.300 nan 0.000 0.486 160 Q N 0.243 120.044 119.800 0.002 0.000 2.378 160 Q HA 0.039 4.384 4.340 0.009 0.000 0.205 160 Q C 1.462 177.472 176.000 0.016 0.000 0.954 160 Q CA 0.879 56.687 55.803 0.009 0.000 0.901 160 Q CB 0.098 28.836 28.738 0.000 0.000 0.981 160 Q HN 0.250 nan 8.270 nan 0.000 0.483 161 R N 1.457 121.952 120.500 -0.008 0.000 2.148 161 R HA 0.037 4.383 4.340 0.009 0.000 0.223 161 R C 1.939 178.203 176.300 -0.060 0.000 1.088 161 R CA 1.390 57.467 56.100 -0.038 0.000 0.985 161 R CB -0.596 29.669 30.300 -0.059 0.000 0.880 161 R HN 0.380 nan 8.270 nan 0.000 0.451 162 A N -0.429 122.366 122.820 -0.042 0.000 1.970 162 A HA -0.085 4.240 4.320 0.009 0.000 0.216 162 A C 1.980 179.501 177.584 -0.104 0.000 1.170 162 A CA 1.100 53.109 52.037 -0.047 0.000 0.645 162 A CB -0.353 18.647 19.000 -0.000 0.000 0.816 162 A HN 0.346 nan 8.150 nan 0.000 0.447 163 Q N -0.736 118.958 119.800 -0.176 0.000 2.167 163 Q HA -0.011 4.335 4.340 0.009 0.000 0.202 163 Q C -0.537 175.004 176.000 -0.764 0.000 0.970 163 Q CA 1.235 56.765 55.803 -0.455 0.000 0.855 163 Q CB -0.231 28.203 28.738 -0.506 0.000 0.911 163 Q HN 0.567 nan 8.270 nan 0.000 0.438 164 F N 1.086 121.009 119.950 -0.045 0.000 2.550 164 F HA 0.368 4.900 4.527 0.009 0.000 0.348 164 F C -2.077 173.741 175.800 0.031 0.000 1.219 164 F CA -2.270 55.757 58.000 0.046 0.000 1.203 164 F CB 1.538 40.588 39.000 0.084 0.000 1.436 164 F HN -0.044 nan 8.300 nan 0.000 0.541 165 P HA -0.005 nan 4.420 nan 0.000 0.226 165 P C -0.396 176.699 177.300 -0.342 0.000 1.783 165 P CA -0.065 62.920 63.100 -0.191 0.000 0.980 165 P CB -0.984 30.574 31.700 -0.235 0.000 1.967 166 Y N 0.203 120.449 120.300 -0.090 0.000 2.550 166 Y HA 0.435 4.991 4.550 0.008 0.000 0.343 166 Y C 0.328 175.989 175.900 -0.398 0.000 1.245 166 Y CA -0.825 57.230 58.100 -0.075 0.000 1.462 166 Y CB 0.273 38.749 38.460 0.026 0.000 1.340 166 Y HN 0.311 nan 8.280 nan 0.000 0.604 167 A N 2.698 125.419 122.820 -0.166 0.000 3.184 167 A HA 0.827 5.153 4.320 0.009 0.000 0.206 167 A C -1.741 175.640 177.584 -0.339 0.000 1.262 167 A CA -0.911 50.922 52.037 -0.340 0.000 0.891 167 A CB 0.470 19.327 19.000 -0.239 0.000 1.526 167 A HN 0.819 nan 8.150 nan 0.000 0.508 168 Y N -1.790 118.571 120.300 0.101 0.000 2.581 168 Y HA 0.560 5.116 4.550 0.009 0.000 0.345 168 Y C -0.454 175.305 175.900 -0.236 0.000 1.036 168 Y CA -0.470 57.634 58.100 0.008 0.000 1.042 168 Y CB 1.795 40.428 38.460 0.288 0.000 1.289 168 Y HN 0.710 nan 8.280 nan 0.000 0.471 169 H N 1.508 120.662 119.070 0.141 0.000 2.492 169 H HA 0.697 5.258 4.556 0.008 0.000 0.345 169 H C -1.196 174.151 175.328 0.031 0.000 1.136 169 H CA -0.916 55.109 56.048 -0.039 0.000 1.202 169 H CB 1.624 31.408 29.762 0.037 0.000 1.524 169 H HN 0.545 nan 8.280 nan 0.000 0.506 170 F N -1.278 118.862 119.950 0.316 0.000 2.686 170 F HA 0.274 4.807 4.527 0.009 0.000 0.311 170 F C -0.995 174.915 175.800 0.184 0.000 1.128 170 F CA -1.485 56.651 58.000 0.226 0.000 0.946 170 F CB 1.234 40.398 39.000 0.273 0.000 1.336 170 F HN 0.328 nan 8.300 nan 0.000 0.457 171 D N 1.524 122.202 120.400 0.463 0.000 2.383 171 D HA 0.238 4.883 4.640 0.009 0.000 0.252 171 D C 0.973 177.473 176.300 0.333 0.000 1.166 171 D CA 0.567 54.758 54.000 0.317 0.000 0.879 171 D CB 2.032 42.954 40.800 0.202 0.000 1.164 171 D HN 0.799 nan 8.370 nan 0.000 0.462 172 A N 4.669 127.671 122.820 0.304 0.000 1.933 172 A HA -0.197 4.128 4.320 0.009 0.000 0.218 172 A C 1.689 179.365 177.584 0.154 0.000 1.175 172 A CA 1.281 53.471 52.037 0.255 0.000 0.628 172 A CB -0.111 19.017 19.000 0.214 0.000 0.814 172 A HN 0.608 nan 8.150 nan 0.000 0.444 173 D N -0.029 120.452 120.400 0.135 0.000 2.097 173 D HA -0.128 4.517 4.640 0.009 0.000 0.195 173 D C 1.937 178.284 176.300 0.079 0.000 0.989 173 D CA 1.364 55.425 54.000 0.101 0.000 0.827 173 D CB -0.288 40.569 40.800 0.094 0.000 0.966 173 D HN 0.430 nan 8.370 nan 0.000 0.456 174 E N 0.522 120.772 120.200 0.084 0.000 2.072 174 E HA -0.091 4.264 4.350 0.009 0.000 0.191 174 E C 2.323 178.950 176.600 0.046 0.000 0.985 174 E CA 0.198 56.635 56.400 0.062 0.000 0.801 174 E CB -0.607 29.130 29.700 0.062 0.000 0.750 174 E HN 0.152 nan 8.360 nan 0.000 0.452 175 V N 1.433 121.339 119.914 -0.013 0.000 2.295 175 V HA -0.236 3.889 4.120 0.009 0.000 0.246 175 V C 2.241 178.332 176.094 -0.005 0.000 1.049 175 V CA 2.184 64.425 62.300 -0.098 0.000 1.024 175 V CB -0.538 30.966 31.823 -0.532 0.000 0.648 175 V HN 0.254 nan 8.190 nan 0.000 0.447 176 A N -0.184 122.644 122.820 0.013 0.000 1.883 176 A HA -0.280 4.046 4.320 0.009 0.000 0.217 176 A C 2.370 179.866 177.584 -0.147 0.000 1.186 176 A CA 2.216 54.270 52.037 0.030 0.000 0.624 176 A CB -0.727 18.352 19.000 0.132 0.000 0.822 176 A HN 0.590 nan 8.150 nan 0.000 0.444 177 R N -2.263 118.192 120.500 -0.074 0.000 2.073 177 R HA -0.174 4.172 4.340 0.009 0.000 0.234 177 R C 2.148 178.372 176.300 -0.127 0.000 1.134 177 R CA 1.921 57.952 56.100 -0.116 0.000 0.952 177 R CB -0.487 29.804 30.300 -0.015 0.000 0.850 177 R HN 0.671 nan 8.270 nan 0.000 0.433 178 Y N 0.941 121.158 120.300 -0.139 0.000 2.145 178 Y HA -0.169 4.386 4.550 0.009 0.000 0.286 178 Y C 1.788 177.624 175.900 -0.107 0.000 1.145 178 Y CA 1.603 59.649 58.100 -0.090 0.000 1.148 178 Y CB -0.258 38.188 38.460 -0.022 0.000 0.981 178 Y HN 0.011 nan 8.280 nan 0.000 0.507 179 L N -0.224 120.899 121.223 -0.167 0.000 2.093 179 L HA -0.198 4.147 4.340 0.009 0.000 0.208 179 L C 2.713 179.357 176.870 -0.376 0.000 1.085 179 L CA 1.461 56.174 54.840 -0.213 0.000 0.755 179 L CB -0.884 41.176 42.059 0.002 0.000 0.904 179 L HN 0.365 nan 8.230 nan 0.000 0.435 180 S N -0.593 114.573 115.700 -0.890 0.000 2.382 180 S HA -0.279 4.196 4.470 0.009 0.000 0.228 180 S C 1.830 175.916 174.600 -0.857 0.000 1.027 180 S CA 1.496 58.663 58.200 -1.721 0.000 0.991 180 S CB -0.369 61.467 63.200 -2.274 0.000 0.823 180 S HN 0.529 nan 8.310 nan 0.000 0.469 181 E N 0.054 119.933 120.200 -0.536 0.000 2.072 181 E HA -0.196 4.160 4.350 0.009 0.000 0.191 181 E C 1.938 178.378 176.600 -0.266 0.000 0.985 181 E CA 1.068 57.266 56.400 -0.336 0.000 0.801 181 E CB -0.380 29.172 29.700 -0.247 0.000 0.750 181 E HN 0.723 nan 8.360 nan 0.000 0.452 182 Y N 0.847 120.899 120.300 -0.414 0.000 2.070 182 Y HA -0.286 4.269 4.550 0.009 0.000 0.280 182 Y C 2.169 177.949 175.900 -0.200 0.000 1.148 182 Y CA 2.294 60.199 58.100 -0.326 0.000 1.125 182 Y CB -0.576 37.655 38.460 -0.382 0.000 0.975 182 Y HN 0.148 nan 8.280 nan 0.000 0.492 183 A N 0.305 123.160 122.820 0.058 0.000 1.883 183 A HA -0.194 4.131 4.320 0.009 0.000 0.217 183 A C 2.279 179.853 177.584 -0.015 0.000 1.186 183 A CA 2.107 54.200 52.037 0.093 0.000 0.624 183 A CB -1.196 18.004 19.000 0.335 0.000 0.822 183 A HN 0.611 nan 8.150 nan 0.000 0.444 184 I N -0.262 120.257 120.570 -0.086 0.000 2.252 184 I HA -0.251 3.924 4.170 0.009 0.000 0.245 184 I C 2.903 178.962 176.117 -0.097 0.000 1.102 184 I CA 0.956 62.216 61.300 -0.066 0.000 1.385 184 I CB -0.274 37.655 38.000 -0.118 0.000 1.064 184 I HN 0.345 nan 8.210 nan 0.000 0.414 185 A N 0.565 123.287 122.820 -0.163 0.000 2.024 185 A HA -0.183 4.142 4.320 0.009 0.000 0.220 185 A C 2.216 179.689 177.584 -0.185 0.000 1.164 185 A CA 1.502 53.434 52.037 -0.176 0.000 0.643 185 A CB -0.516 18.347 19.000 -0.228 0.000 0.806 185 A HN 0.374 nan 8.150 nan 0.000 0.451 186 R N -1.808 118.565 120.500 -0.212 0.000 2.359 186 R HA 0.281 4.626 4.340 0.009 0.000 0.231 186 R C 1.039 177.284 176.300 -0.092 0.000 0.913 186 R CA 0.553 56.539 56.100 -0.190 0.000 1.075 186 R CB 0.159 30.290 30.300 -0.281 0.000 1.087 186 R HN 0.649 nan 8.270 nan 0.000 0.515 187 G N 0.242 109.009 108.800 -0.055 0.000 2.163 187 G HA2 -0.226 3.740 3.960 0.009 0.000 0.213 187 G HA3 -0.226 3.740 3.960 0.009 0.000 0.213 187 G C 0.086 174.999 174.900 0.021 0.000 0.991 187 G CA -0.300 44.791 45.100 -0.016 0.000 0.653 187 G HN 0.113 nan 8.290 nan 0.000 0.518 188 V N 2.112 122.054 119.914 0.047 0.000 2.493 188 V HA 0.198 4.323 4.120 0.009 0.000 0.292 188 V C 1.412 177.577 176.094 0.119 0.000 1.016 188 V CA 0.093 62.453 62.300 0.099 0.000 1.097 188 V CB 1.027 32.960 31.823 0.182 0.000 0.947 188 V HN 0.478 nan 8.190 nan 0.000 0.479 189 R N 4.719 125.277 120.500 0.096 0.000 2.347 189 R HA 0.161 4.506 4.340 0.009 0.000 0.304 189 R C -0.193 176.209 176.300 0.170 0.000 1.072 189 R CA -0.306 55.855 56.100 0.102 0.000 0.980 189 R CB 0.238 30.568 30.300 0.050 0.000 0.986 189 R HN 0.893 nan 8.270 nan 0.000 0.448 190 H N 4.019 123.132 119.070 0.072 0.000 2.511 190 H HA 0.339 4.900 4.556 0.009 0.000 0.328 190 H C -1.313 174.019 175.328 0.008 0.000 1.044 190 H CA -0.859 55.250 56.048 0.103 0.000 1.212 190 H CB 1.394 31.277 29.762 0.202 0.000 1.428 190 H HN 0.265 nan 8.280 nan 0.000 0.483 191 V N 6.459 126.221 119.914 -0.253 0.000 2.444 191 V HA 0.132 4.257 4.120 0.009 0.000 0.294 191 V C -0.212 175.599 176.094 -0.472 0.000 1.022 191 V CA -0.821 61.222 62.300 -0.428 0.000 0.850 191 V CB 1.671 33.261 31.823 -0.388 0.000 0.992 191 V HN 0.522 nan 8.190 nan 0.000 0.426 192 V N 4.664 124.309 119.914 -0.449 0.000 2.320 192 V HA 0.572 4.697 4.120 0.009 0.000 0.265 192 V C -0.339 175.694 176.094 -0.103 0.000 1.048 192 V CA 0.170 62.328 62.300 -0.236 0.000 0.865 192 V CB 0.854 32.588 31.823 -0.148 0.000 1.043 192 V HN 0.954 nan 8.190 nan 0.000 0.474 193 D N 2.019 122.381 120.400 -0.063 0.000 2.671 193 D HA 0.252 4.898 4.640 0.009 0.000 0.273 193 D C -1.663 174.654 176.300 0.027 0.000 1.264 193 D CA -0.525 53.494 54.000 0.032 0.000 0.788 193 D CB 2.621 43.479 40.800 0.097 0.000 1.324 193 D HN 0.343 nan 8.370 nan 0.000 0.424 194 D N 0.575 121.006 120.400 0.052 0.000 2.198 194 D HA 0.280 4.925 4.640 0.009 0.000 0.245 194 D C -0.089 176.244 176.300 0.054 0.000 1.079 194 D CA -0.272 53.754 54.000 0.043 0.000 0.854 194 D CB 2.031 42.857 40.800 0.044 0.000 1.148 194 D HN -0.009 nan 8.370 nan 0.000 0.456 195 V N 3.392 123.331 119.914 0.042 0.000 2.470 195 V HA -0.002 4.124 4.120 0.009 0.000 0.276 195 V C 1.329 177.462 176.094 0.064 0.000 1.040 195 V CA 0.280 62.613 62.300 0.055 0.000 1.008 195 V CB 1.128 32.969 31.823 0.029 0.000 0.990 195 V HN 0.488 nan 8.190 nan 0.000 0.477 196 Q N 2.358 122.218 119.800 0.100 0.000 2.394 196 Q HA 0.158 4.503 4.340 0.009 0.000 0.218 196 Q C 0.142 176.231 176.000 0.148 0.000 0.907 196 Q CA 0.426 56.290 55.803 0.101 0.000 0.919 196 Q CB 0.735 29.531 28.738 0.097 0.000 1.051 196 Q HN 0.852 nan 8.270 nan 0.000 0.538 197 H N -0.823 118.282 119.070 0.059 0.000 2.974 197 H HA 0.386 4.947 4.556 0.009 0.000 0.366 197 H C -1.737 173.664 175.328 0.122 0.000 1.155 197 H CA -0.669 55.401 56.048 0.036 0.000 1.186 197 H CB 1.580 31.297 29.762 -0.076 0.000 1.799 197 H HN -0.213 nan 8.280 nan 0.000 0.541 198 V N 4.536 124.134 119.914 -0.527 0.000 2.328 198 V HA 0.461 4.586 4.120 0.009 0.000 0.278 198 V C 0.978 176.721 176.094 -0.585 0.000 1.021 198 V CA -0.149 61.913 62.300 -0.396 0.000 0.838 198 V CB 1.153 32.798 31.823 -0.297 0.000 0.999 198 V HN 0.976 nan 8.190 nan 0.000 0.447 199 G N 4.091 112.784 108.800 -0.178 0.000 2.483 199 G HA2 0.477 4.443 3.960 0.009 0.000 0.248 199 G HA3 0.477 4.443 3.960 0.009 0.000 0.248 199 G C -0.554 174.292 174.900 -0.089 0.000 1.248 199 G CA -0.149 44.952 45.100 0.002 0.000 0.838 199 G HN 0.655 nan 8.290 nan 0.000 0.566 200 Q N 0.014 119.802 119.800 -0.020 0.000 2.397 200 Q HA 0.306 4.651 4.340 0.009 0.000 0.275 200 Q C -0.847 175.172 176.000 0.031 0.000 1.090 200 Q CA -0.932 54.860 55.803 -0.018 0.000 0.809 200 Q CB 2.381 31.104 28.738 -0.024 0.000 1.362 200 Q HN 0.786 nan 8.270 nan 0.000 0.431 201 D N -0.495 119.932 120.400 0.045 0.000 2.478 201 D HA -0.054 4.591 4.640 0.009 0.000 0.269 201 D C 0.668 176.982 176.300 0.023 0.000 1.232 201 D CA -0.387 53.633 54.000 0.034 0.000 1.059 201 D CB 0.398 41.210 40.800 0.021 0.000 1.104 201 D HN 0.673 nan 8.370 nan 0.000 0.566 202 E N -1.037 119.162 120.200 -0.003 0.000 2.515 202 E HA -0.140 4.215 4.350 0.009 0.000 0.201 202 E C 1.115 177.707 176.600 -0.013 0.000 1.071 202 E CA 0.477 56.872 56.400 -0.008 0.000 0.880 202 E CB -0.111 29.578 29.700 -0.019 0.000 0.828 202 E HN 0.337 nan 8.360 nan 0.000 0.540 203 R N -0.552 119.937 120.500 -0.018 0.000 2.397 203 R HA 0.199 4.544 4.340 0.009 0.000 0.241 203 R C 1.008 177.402 176.300 0.157 0.000 0.914 203 R CA 0.447 56.545 56.100 -0.002 0.000 1.071 203 R CB 0.956 31.139 30.300 -0.196 0.000 1.116 203 R HN 0.319 nan 8.270 nan 0.000 0.524 204 G N 0.130 109.015 108.800 0.141 0.000 2.157 204 G HA2 -0.234 3.731 3.960 0.009 0.000 0.248 204 G HA3 -0.234 3.731 3.960 0.009 0.000 0.248 204 G C -0.408 174.597 174.900 0.175 0.000 0.979 204 G CA -0.238 44.941 45.100 0.132 0.000 0.650 204 G HN 0.147 nan 8.290 nan 0.000 0.529 205 W N 0.490 121.722 121.300 -0.113 0.000 2.202 205 W HA 0.668 5.333 4.660 0.009 0.000 0.332 205 W C 1.118 177.539 176.519 -0.163 0.000 1.263 205 W CA -1.057 56.200 57.345 -0.147 0.000 1.223 205 W CB 0.264 29.617 29.460 -0.178 0.000 1.128 205 W HN 0.114 nan 8.180 nan 0.000 0.573 206 I N 3.049 123.563 120.570 -0.094 0.000 2.533 206 I HA -0.071 4.104 4.170 0.009 0.000 0.284 206 I C 1.299 177.296 176.117 -0.200 0.000 1.109 206 I CA 0.436 61.535 61.300 -0.335 0.000 1.412 206 I CB 0.645 38.161 38.000 -0.807 0.000 1.396 206 I HN 0.523 nan 8.210 nan 0.000 0.543 207 S N 3.456 119.070 115.700 -0.144 0.000 2.497 207 S HA 0.410 4.885 4.470 0.009 0.000 0.221 207 S C 0.650 175.308 174.600 0.096 0.000 1.037 207 S CA 0.132 58.359 58.200 0.046 0.000 0.920 207 S CB 0.735 63.971 63.200 0.061 0.000 0.800 207 S HN 0.846 nan 8.310 nan 0.000 0.505 208 G N 0.793 109.536 108.800 -0.094 0.000 2.489 208 G HA2 0.465 4.430 3.960 0.009 0.000 0.291 208 G HA3 0.465 4.430 3.960 0.009 0.000 0.291 208 G C -1.457 173.340 174.900 -0.171 0.000 1.487 208 G CA -0.246 44.842 45.100 -0.019 0.000 0.795 208 G HN 0.872 nan 8.290 nan 0.000 0.513 209 V N -1.399 118.477 119.914 -0.064 0.000 2.435 209 V HA 0.766 4.891 4.120 0.009 0.000 0.290 209 V C -0.627 175.397 176.094 -0.116 0.000 1.030 209 V CA -1.186 61.079 62.300 -0.058 0.000 0.881 209 V CB 1.018 32.860 31.823 0.031 0.000 0.983 209 V HN 0.717 nan 8.190 nan 0.000 0.445 210 H N 2.795 121.896 119.070 0.052 0.000 2.552 210 H HA 0.637 5.198 4.556 0.009 0.000 0.311 210 H C 0.745 176.120 175.328 0.079 0.000 1.071 210 H CA 0.251 56.352 56.048 0.087 0.000 1.307 210 H CB 1.311 31.152 29.762 0.133 0.000 1.416 210 H HN 1.020 nan 8.280 nan 0.000 0.464 211 T N -0.658 113.993 114.554 0.161 0.000 2.943 211 T HA 0.220 4.576 4.350 0.009 0.000 0.284 211 T C 1.325 176.104 174.700 0.131 0.000 1.015 211 T CA -1.146 61.036 62.100 0.136 0.000 1.042 211 T CB 1.860 70.810 68.868 0.138 0.000 1.055 211 T HN 0.584 nan 8.240 nan 0.000 0.500 212 K N -0.259 120.207 120.400 0.110 0.000 2.097 212 K HA -0.088 4.237 4.320 0.009 0.000 0.206 212 K C 1.471 178.104 176.600 0.054 0.000 1.049 212 K CA 1.348 57.681 56.287 0.077 0.000 0.933 212 K CB 0.103 32.641 32.500 0.064 0.000 0.717 212 K HN 0.566 nan 8.250 nan 0.000 0.442 213 Q N -1.922 117.915 119.800 0.063 0.000 2.157 213 Q HA 0.058 4.403 4.340 0.009 0.000 0.235 213 Q C 0.176 176.038 176.000 -0.230 0.000 0.803 213 Q CA 0.308 56.065 55.803 -0.077 0.000 0.967 213 Q CB 1.027 29.681 28.738 -0.140 0.000 1.150 213 Q HN 0.391 nan 8.270 nan 0.000 0.482 214 H N -0.144 118.939 119.070 0.021 0.000 2.674 214 H HA 0.400 4.962 4.556 0.009 0.000 0.274 214 H C 0.971 176.312 175.328 0.021 0.000 1.121 214 H CA 0.455 56.512 56.048 0.016 0.000 1.132 214 H CB 0.827 30.593 29.762 0.006 0.000 1.606 214 H HN 0.348 nan 8.280 nan 0.000 0.558 215 G N 1.091 109.954 108.800 0.105 0.000 2.575 215 G HA2 -0.353 3.612 3.960 0.009 0.000 0.267 215 G HA3 -0.353 3.612 3.960 0.009 0.000 0.267 215 G C -0.023 174.917 174.900 0.067 0.000 1.264 215 G CA -0.055 45.100 45.100 0.092 0.000 0.935 215 G HN 0.483 nan 8.290 nan 0.000 0.568 216 E N -0.160 120.044 120.200 0.007 0.000 2.229 216 E HA 0.499 4.854 4.350 0.009 0.000 0.283 216 E C -0.176 176.389 176.600 -0.059 0.000 1.030 216 E CA -0.531 55.782 56.400 -0.146 0.000 0.836 216 E CB 0.313 29.868 29.700 -0.242 0.000 1.068 216 E HN 0.406 nan 8.360 nan 0.000 0.401 217 I N 3.731 124.272 120.570 -0.049 0.000 2.354 217 I HA 0.190 4.365 4.170 0.009 0.000 0.286 217 I C -0.295 175.869 176.117 0.078 0.000 1.007 217 I CA -0.309 61.000 61.300 0.014 0.000 1.167 217 I CB 1.726 39.737 38.000 0.019 0.000 1.320 217 I HN 0.366 nan 8.210 nan 0.000 0.458 218 S N 3.322 119.063 115.700 0.069 0.000 2.681 218 S HA 0.956 5.431 4.470 0.009 0.000 0.299 218 S C 0.102 174.695 174.600 -0.011 0.000 1.113 218 S CA -0.654 57.633 58.200 0.146 0.000 1.013 218 S CB 2.163 65.433 63.200 0.117 0.000 1.076 218 S HN 0.858 nan 8.310 nan 0.000 0.534 219 G N 0.063 108.810 108.800 -0.088 0.000 2.488 219 G HA2 0.389 4.354 3.960 0.009 0.000 0.301 219 G HA3 0.389 4.354 3.960 0.009 0.000 0.301 219 G C -0.962 173.843 174.900 -0.157 0.000 1.339 219 G CA -0.564 44.396 45.100 -0.234 0.000 0.803 219 G HN 0.501 nan 8.290 nan 0.000 0.482 220 D N -1.077 119.278 120.400 -0.074 0.000 2.162 220 D HA 0.081 4.727 4.640 0.009 0.000 0.205 220 D C 0.697 177.129 176.300 0.220 0.000 0.964 220 D CA 0.875 54.968 54.000 0.155 0.000 0.847 220 D CB 0.397 41.314 40.800 0.194 0.000 0.988 220 D HN 0.180 nan 8.370 nan 0.000 0.480 221 L N 0.119 121.330 121.223 -0.020 0.000 2.341 221 L HA 0.418 4.763 4.340 0.009 0.000 0.278 221 L C -1.500 175.191 176.870 -0.298 0.000 1.005 221 L CA -0.597 54.248 54.840 0.009 0.000 0.818 221 L CB 1.488 43.521 42.059 -0.044 0.000 1.259 221 L HN -0.293 nan 8.230 nan 0.000 0.418 222 F N 4.391 124.301 119.950 -0.067 0.000 2.458 222 F HA 0.600 5.132 4.527 0.009 0.000 0.336 222 F C -0.171 175.537 175.800 -0.153 0.000 1.114 222 F CA -0.844 57.098 58.000 -0.096 0.000 0.987 222 F CB 1.947 40.892 39.000 -0.093 0.000 1.130 222 F HN 0.084 nan 8.300 nan 0.000 0.458 223 V N 2.409 122.322 119.914 -0.001 0.000 2.347 223 V HA 0.169 4.294 4.120 0.009 0.000 0.280 223 V C -0.486 175.585 176.094 -0.039 0.000 1.021 223 V CA -0.773 61.486 62.300 -0.068 0.000 0.847 223 V CB 1.317 33.082 31.823 -0.097 0.000 0.990 223 V HN 0.583 nan 8.190 nan 0.000 0.444 224 D N 3.925 124.298 120.400 -0.046 0.000 2.374 224 D HA 0.170 4.815 4.640 0.009 0.000 0.240 224 D C 0.054 176.321 176.300 -0.055 0.000 1.229 224 D CA -0.087 53.888 54.000 -0.042 0.000 0.895 224 D CB 0.811 41.589 40.800 -0.037 0.000 1.046 224 D HN 0.601 nan 8.370 nan 0.000 0.498 225 C N 3.213 122.470 119.300 -0.072 0.000 2.557 225 C HA 0.136 4.602 4.460 0.009 0.000 0.281 225 C C 1.760 176.694 174.990 -0.094 0.000 1.490 225 C CA -0.333 58.631 59.018 -0.089 0.000 1.771 225 C CB -1.190 26.478 27.740 -0.120 0.000 2.887 225 C HN 0.699 nan 8.230 nan 0.000 0.527 226 T N -2.017 112.490 114.554 -0.077 0.000 3.169 226 T HA 0.434 4.789 4.350 0.009 0.000 0.250 226 T C 1.165 175.808 174.700 -0.096 0.000 1.111 226 T CA 0.834 62.890 62.100 -0.073 0.000 1.010 226 T CB 0.125 68.964 68.868 -0.049 0.000 0.984 226 T HN 0.998 nan 8.240 nan 0.000 0.537 227 G N 1.340 110.055 108.800 -0.140 0.000 2.593 227 G HA2 -0.223 3.742 3.960 0.009 0.000 0.237 227 G HA3 -0.223 3.742 3.960 0.009 0.000 0.237 227 G C 0.144 174.936 174.900 -0.179 0.000 1.312 227 G CA -0.206 44.738 45.100 -0.261 0.000 0.896 227 G HN 0.140 nan 8.290 nan 0.000 0.574 228 F N 0.793 120.676 119.950 -0.112 0.000 2.192 228 F HA -0.085 4.448 4.527 0.009 0.000 0.301 228 F C 2.886 178.594 175.800 -0.153 0.000 1.079 228 F CA 2.118 60.028 58.000 -0.151 0.000 1.303 228 F CB -0.587 38.319 39.000 -0.158 0.000 1.024 228 F HN 0.539 nan 8.300 nan 0.000 0.494 229 R N 0.576 121.117 120.500 0.069 0.000 2.134 229 R HA -0.178 4.167 4.340 0.009 0.000 0.248 229 R C 1.362 177.650 176.300 -0.020 0.000 1.143 229 R CA 1.507 57.611 56.100 0.008 0.000 0.957 229 R CB -0.896 29.402 30.300 -0.005 0.000 0.867 229 R HN 0.394 nan 8.270 nan 0.000 0.441 230 G N 0.574 109.360 108.800 -0.022 0.000 2.372 230 G HA2 -0.255 3.710 3.960 0.009 0.000 0.297 230 G HA3 -0.255 3.710 3.960 0.009 0.000 0.297 230 G C 0.340 175.224 174.900 -0.027 0.000 1.005 230 G CA 0.475 45.562 45.100 -0.021 0.000 1.173 230 G HN 0.382 nan 8.290 nan 0.000 0.511 231 L N -0.367 120.837 121.223 -0.033 0.000 2.046 231 L HA 0.072 4.417 4.340 0.009 0.000 0.208 231 L C 2.635 179.472 176.870 -0.054 0.000 1.077 231 L CA 2.304 57.122 54.840 -0.038 0.000 0.747 231 L CB -0.224 41.814 42.059 -0.035 0.000 0.896 231 L HN 0.498 nan 8.230 nan 0.000 0.432 232 L N -1.738 119.449 121.223 -0.060 0.000 2.121 232 L HA -0.043 4.302 4.340 0.009 0.000 0.200 232 L C 2.477 179.305 176.870 -0.070 0.000 1.077 232 L CA 0.835 55.623 54.840 -0.087 0.000 0.766 232 L CB -0.713 41.287 42.059 -0.099 0.000 0.931 232 L HN 0.202 nan 8.230 nan 0.000 0.452 233 I N 0.707 121.252 120.570 -0.043 0.000 2.286 233 I HA -0.248 3.928 4.170 0.009 0.000 0.248 233 I C 1.805 177.921 176.117 -0.003 0.000 1.115 233 I CA 1.890 63.178 61.300 -0.019 0.000 1.392 233 I CB -0.193 37.813 38.000 0.011 0.000 1.065 233 I HN 0.271 nan 8.210 nan 0.000 0.418 234 N N -1.171 117.528 118.700 -0.001 0.000 2.508 234 N HA 0.012 4.757 4.740 0.009 0.000 0.186 234 N C 1.621 177.124 175.510 -0.012 0.000 1.034 234 N CA 0.435 53.488 53.050 0.006 0.000 0.885 234 N CB -0.048 38.443 38.487 0.008 0.000 1.135 234 N HN 0.286 nan 8.380 nan 0.000 0.435 235 Q N -0.210 119.575 119.800 -0.025 0.000 2.245 235 Q HA 0.075 4.420 4.340 0.009 0.000 0.201 235 Q C 1.037 177.015 176.000 -0.035 0.000 0.955 235 Q CA 1.119 56.906 55.803 -0.026 0.000 0.870 235 Q CB 0.261 28.983 28.738 -0.027 0.000 0.945 235 Q HN 0.343 nan 8.270 nan 0.000 0.461 236 T N 0.399 114.921 114.554 -0.054 0.000 3.004 236 T HA 0.128 4.484 4.350 0.009 0.000 0.243 236 T C 1.680 176.343 174.700 -0.063 0.000 1.020 236 T CA 0.307 62.363 62.100 -0.074 0.000 1.145 236 T CB 0.132 68.926 68.868 -0.123 0.000 0.876 236 T HN 0.083 nan 8.240 nan 0.000 0.449 237 L N 0.673 121.860 121.223 -0.061 0.000 2.509 237 L HA 0.302 4.647 4.340 0.009 0.000 0.222 237 L C 1.781 178.635 176.870 -0.027 0.000 1.123 237 L CA 0.358 55.165 54.840 -0.055 0.000 0.856 237 L CB -0.275 41.740 42.059 -0.073 0.000 0.985 237 L HN 0.549 nan 8.230 nan 0.000 0.456 238 G N 0.432 109.223 108.800 -0.015 0.000 2.147 238 G HA2 -0.230 3.735 3.960 0.009 0.000 0.244 238 G HA3 -0.230 3.735 3.960 0.009 0.000 0.244 238 G C 0.596 175.504 174.900 0.014 0.000 1.005 238 G CA -0.080 45.020 45.100 0.001 0.000 0.713 238 G HN 0.502 nan 8.290 nan 0.000 0.515 239 G N -0.395 108.416 108.800 0.018 0.000 2.353 239 G HA2 0.420 4.385 3.960 0.009 0.000 0.239 239 G HA3 0.420 4.385 3.960 0.009 0.000 0.239 239 G C 0.355 175.292 174.900 0.063 0.000 1.295 239 G CA -0.273 44.850 45.100 0.038 0.000 0.884 239 G HN 0.599 nan 8.290 nan 0.000 0.537 240 R N 0.784 121.320 120.500 0.060 0.000 2.308 240 R HA 0.258 4.603 4.340 0.009 0.000 0.305 240 R C -0.877 175.486 176.300 0.104 0.000 1.053 240 R CA -0.482 55.662 56.100 0.074 0.000 0.957 240 R CB 1.216 31.540 30.300 0.039 0.000 1.022 240 R HN 0.469 nan 8.270 nan 0.000 0.461 241 F N 2.552 122.492 119.950 -0.016 0.000 2.408 241 F HA 0.151 4.683 4.527 0.009 0.000 0.344 241 F C 0.043 175.819 175.800 -0.039 0.000 1.112 241 F CA -0.304 57.675 58.000 -0.034 0.000 1.096 241 F CB 1.304 40.281 39.000 -0.038 0.000 1.129 241 F HN 0.331 nan 8.300 nan 0.000 0.486 242 Q N 5.290 124.713 119.800 -0.627 0.000 2.340 242 Q HA 0.269 4.614 4.340 0.009 0.000 0.259 242 Q C -0.724 174.926 176.000 -0.582 0.000 0.964 242 Q CA -0.510 55.067 55.803 -0.377 0.000 0.900 242 Q CB 1.367 29.983 28.738 -0.205 0.000 1.228 242 Q HN 0.728 nan 8.270 nan 0.000 0.449 243 S N 3.281 118.888 115.700 -0.156 0.000 2.580 243 S HA 0.248 4.723 4.470 0.009 0.000 0.274 243 S C 0.002 174.672 174.600 0.116 0.000 1.329 243 S CA -0.405 57.774 58.200 -0.035 0.000 1.036 243 S CB 0.270 63.536 63.200 0.112 0.000 0.919 243 S HN 0.613 nan 8.310 nan 0.000 0.515 244 F N 2.291 122.259 119.950 0.031 0.000 2.639 244 F HA 0.306 4.840 4.527 0.011 0.000 0.302 244 F C 2.129 177.942 175.800 0.022 0.000 1.097 244 F CA -0.589 57.419 58.000 0.014 0.000 1.294 244 F CB -1.065 37.944 39.000 0.014 0.000 1.027 244 F HN 0.476 nan 8.300 nan 0.000 0.550 245 S N 0.487 116.298 115.700 0.187 0.000 2.419 245 S HA -0.187 4.288 4.470 0.009 0.000 0.233 245 S C 1.903 176.548 174.600 0.075 0.000 1.016 245 S CA 1.536 59.801 58.200 0.109 0.000 0.974 245 S CB -0.291 62.953 63.200 0.073 0.000 0.786 245 S HN 0.546 nan 8.310 nan 0.000 0.492 246 D N 1.618 122.066 120.400 0.079 0.000 2.178 246 D HA -0.103 4.543 4.640 0.009 0.000 0.201 246 D C 1.777 178.091 176.300 0.023 0.000 0.980 246 D CA 1.542 55.569 54.000 0.046 0.000 0.842 246 D CB -0.490 40.337 40.800 0.047 0.000 0.948 246 D HN 0.524 nan 8.370 nan 0.000 0.472 247 V N -2.987 116.944 119.914 0.028 0.000 3.570 247 V HA 0.345 4.470 4.120 0.009 0.000 0.257 247 V C 0.865 176.938 176.094 -0.035 0.000 1.272 247 V CA -0.270 62.023 62.300 -0.011 0.000 1.079 247 V CB -0.061 31.745 31.823 -0.029 0.000 0.829 247 V HN 0.034 nan 8.190 nan 0.000 0.454 248 L N 2.540 123.768 121.223 0.008 0.000 2.470 248 L HA 0.480 4.826 4.340 0.009 0.000 0.253 248 L C -1.856 175.024 176.870 0.016 0.000 1.163 248 L CA -1.108 53.724 54.840 -0.014 0.000 0.932 248 L CB 2.284 44.396 42.059 0.089 0.000 1.213 248 L HN 0.035 nan 8.230 nan 0.000 0.485 249 P HA -0.055 nan 4.420 nan 0.000 0.233 249 P C -0.016 177.320 177.300 0.059 0.000 1.167 249 P CA 0.239 63.353 63.100 0.025 0.000 0.770 249 P CB 0.090 31.809 31.700 0.031 0.000 0.837 250 N N 2.847 121.592 118.700 0.075 0.000 2.374 250 N HA -0.063 4.682 4.740 0.009 0.000 0.269 250 N C 1.026 176.552 175.510 0.027 0.000 1.310 250 N CA 0.549 53.651 53.050 0.088 0.000 0.877 250 N CB -0.177 38.424 38.487 0.191 0.000 1.096 250 N HN 0.350 nan 8.380 nan 0.000 0.484 251 N N 1.315 119.965 118.700 -0.084 0.000 2.143 251 N HA 0.092 4.837 4.740 0.009 0.000 0.222 251 N C -0.142 175.247 175.510 -0.203 0.000 1.264 251 N CA 0.013 53.001 53.050 -0.103 0.000 0.897 251 N CB 0.925 39.363 38.487 -0.081 0.000 1.092 251 N HN 0.301 nan 8.380 nan 0.000 0.516 252 R N -0.521 119.739 120.500 -0.400 0.000 2.817 252 R HA 0.846 5.191 4.340 0.009 0.000 0.268 252 R C -1.546 174.447 176.300 -0.512 0.000 1.027 252 R CA -0.790 55.010 56.100 -0.499 0.000 0.928 252 R CB 2.224 32.074 30.300 -0.749 0.000 1.228 252 R HN 0.142 nan 8.270 nan 0.000 0.469 253 A N 0.609 123.324 122.820 -0.175 0.000 2.572 253 A HA 0.690 5.016 4.320 0.009 0.000 0.295 253 A C -1.732 175.932 177.584 0.134 0.000 1.072 253 A CA -0.632 51.433 52.037 0.046 0.000 0.691 253 A CB 2.240 21.365 19.000 0.209 0.000 1.291 253 A HN 0.360 nan 8.150 nan 0.000 0.404 254 V N 0.963 120.921 119.914 0.072 0.000 2.577 254 V HA 0.804 4.929 4.120 0.009 0.000 0.303 254 V C -0.118 175.861 176.094 -0.192 0.000 1.042 254 V CA 0.238 62.450 62.300 -0.147 0.000 0.872 254 V CB 1.298 32.919 31.823 -0.337 0.000 0.998 254 V HN 1.909 nan 8.190 nan 0.000 0.423 255 A N 6.895 129.631 122.820 -0.140 0.000 2.356 255 A HA 0.983 5.309 4.320 0.009 0.000 0.323 255 A C -1.299 176.234 177.584 -0.085 0.000 1.119 255 A CA -0.693 51.282 52.037 -0.104 0.000 0.790 255 A CB 1.581 20.683 19.000 0.170 0.000 1.273 255 A HN 0.897 nan 8.150 nan 0.000 0.452 256 L N 0.400 121.573 121.223 -0.083 0.000 2.376 256 L HA 0.609 4.954 4.340 0.009 0.000 0.258 256 L C -0.270 176.607 176.870 0.011 0.000 1.013 256 L CA -0.678 54.135 54.840 -0.046 0.000 0.822 256 L CB 2.535 44.540 42.059 -0.091 0.000 1.388 256 L HN 0.792 nan 8.230 nan 0.000 0.413 257 R N 1.276 121.790 120.500 0.023 0.000 2.310 257 R HA 0.516 4.861 4.340 0.009 0.000 0.316 257 R C -1.430 174.880 176.300 0.016 0.000 1.004 257 R CA -0.469 55.657 56.100 0.044 0.000 0.900 257 R CB 1.676 32.013 30.300 0.062 0.000 1.152 257 R HN 0.219 nan 8.270 nan 0.000 0.513 258 V N 5.047 124.962 119.914 0.003 0.000 2.347 258 V HA 0.307 4.432 4.120 0.009 0.000 0.280 258 V C -2.106 173.978 176.094 -0.017 0.000 1.021 258 V CA -2.407 59.883 62.300 -0.018 0.000 0.847 258 V CB 1.597 33.395 31.823 -0.041 0.000 0.990 258 V HN 0.527 nan 8.190 nan 0.000 0.444 259 P HA 0.253 nan 4.420 nan 0.000 0.271 259 P C -0.327 176.946 177.300 -0.045 0.000 1.216 259 P CA -0.345 62.738 63.100 -0.027 0.000 0.776 259 P CB 0.592 32.277 31.700 -0.025 0.000 0.881 260 R N 1.910 122.374 120.500 -0.060 0.000 2.390 260 R HA 0.047 4.393 4.340 0.009 0.000 0.291 260 R C 1.550 177.798 176.300 -0.086 0.000 1.070 260 R CA -0.054 55.998 56.100 -0.079 0.000 1.014 260 R CB 0.207 30.447 30.300 -0.101 0.000 1.007 260 R HN 0.546 nan 8.270 nan 0.000 0.466 261 E N 2.027 122.179 120.200 -0.080 0.000 2.085 261 E HA -0.223 4.132 4.350 0.009 0.000 0.194 261 E C -0.138 176.402 176.600 -0.100 0.000 0.994 261 E CA 1.100 57.454 56.400 -0.078 0.000 0.801 261 E CB 0.172 29.832 29.700 -0.066 0.000 0.743 261 E HN 0.327 nan 8.360 nan 0.000 0.453 262 N N 0.558 119.184 118.700 -0.123 0.000 2.518 262 N HA 0.033 4.779 4.740 0.009 0.000 0.254 262 N C -0.682 174.682 175.510 -0.242 0.000 0.979 262 N CA -0.227 52.722 53.050 -0.168 0.000 0.930 262 N CB 1.368 39.766 38.487 -0.148 0.000 1.152 262 N HN -0.087 nan 8.380 nan 0.000 0.505 263 D N 2.015 122.221 120.400 -0.324 0.000 2.144 263 D HA -0.137 4.508 4.640 0.009 0.000 0.199 263 D C 0.951 176.743 176.300 -0.847 0.000 0.984 263 D CA 1.335 55.048 54.000 -0.478 0.000 0.834 263 D CB 0.333 40.846 40.800 -0.477 0.000 0.955 263 D HN 0.645 nan 8.370 nan 0.000 0.465 264 E N 0.297 119.945 120.200 -0.920 0.000 2.267 264 E HA -0.124 4.231 4.350 0.009 0.000 0.197 264 E C 0.340 176.729 176.600 -0.353 0.000 0.998 264 E CA 0.652 56.542 56.400 -0.851 0.000 0.830 264 E CB -0.002 29.422 29.700 -0.461 0.000 0.751 264 E HN 0.083 nan 8.360 nan 0.000 0.491 265 D N 0.483 120.727 120.400 -0.261 0.000 2.558 265 D HA 0.069 4.714 4.640 0.009 0.000 0.221 265 D C -0.981 175.255 176.300 -0.107 0.000 1.143 265 D CA 0.089 54.006 54.000 -0.138 0.000 1.010 265 D CB -0.254 40.474 40.800 -0.120 0.000 1.068 265 D HN 0.022 nan 8.370 nan 0.000 0.511 266 M N 2.932 122.503 119.600 -0.050 0.000 2.181 266 M HA 0.365 4.851 4.480 0.009 0.000 0.323 266 M C -0.654 175.625 176.300 -0.035 0.000 1.004 266 M CA -0.745 54.550 55.300 -0.008 0.000 0.941 266 M CB 1.325 34.009 32.600 0.140 0.000 1.579 266 M HN -0.065 nan 8.290 nan 0.000 0.427 267 R N 5.539 125.946 120.500 -0.155 0.000 2.308 267 R HA 0.337 4.683 4.340 0.009 0.000 0.305 267 R C -2.058 174.100 176.300 -0.237 0.000 1.053 267 R CA -1.311 54.575 56.100 -0.357 0.000 0.957 267 R CB 0.547 30.338 30.300 -0.848 0.000 1.022 267 R HN 0.398 nan 8.270 nan 0.000 0.461 268 P HA 0.044 nan 4.420 nan 0.000 0.220 268 P C -1.657 175.794 177.300 0.252 0.000 1.793 268 P CA 0.063 63.233 63.100 0.117 0.000 0.917 268 P CB -0.154 31.598 31.700 0.087 0.000 1.755 269 Y N -4.467 115.988 120.300 0.258 0.000 2.641 269 Y HA 0.525 5.080 4.550 0.009 0.000 0.333 269 Y C -0.588 175.479 175.900 0.279 0.000 1.174 269 Y CA -1.343 56.909 58.100 0.254 0.000 1.057 269 Y CB 0.014 38.557 38.460 0.139 0.000 1.322 269 Y HN -0.373 nan 8.280 nan 0.000 0.457 270 T N 1.937 116.763 114.554 0.452 0.000 2.910 270 T HA 0.491 4.847 4.350 0.009 0.000 0.293 270 T C -0.429 174.403 174.700 0.220 0.000 1.015 270 T CA -0.226 62.020 62.100 0.244 0.000 1.094 270 T CB 0.876 69.897 68.868 0.255 0.000 0.968 270 T HN 0.674 nan 8.240 nan 0.000 0.521 271 T N 2.377 117.021 114.554 0.149 0.000 2.797 271 T HA 0.622 4.977 4.350 0.009 0.000 0.279 271 T C -0.296 174.470 174.700 0.109 0.000 0.991 271 T CA -0.692 61.461 62.100 0.089 0.000 0.979 271 T CB 1.286 70.211 68.868 0.095 0.000 0.943 271 T HN 0.669 nan 8.240 nan 0.000 0.444 272 A N 3.049 125.844 122.820 -0.042 0.000 2.277 272 A HA 0.637 4.962 4.320 0.009 0.000 0.318 272 A C 0.195 178.019 177.584 0.399 0.000 1.339 272 A CA -0.707 51.450 52.037 0.201 0.000 0.875 272 A CB 0.289 19.121 19.000 -0.280 0.000 1.158 272 A HN 0.703 nan 8.150 nan 0.000 0.514 273 T N 2.455 117.240 114.554 0.385 0.000 2.758 273 T HA 0.554 4.909 4.350 0.009 0.000 0.285 273 T C 0.462 175.187 174.700 0.041 0.000 0.981 273 T CA 0.009 62.212 62.100 0.173 0.000 0.965 273 T CB 1.340 70.235 68.868 0.044 0.000 0.927 273 T HN 0.974 nan 8.240 nan 0.000 0.448 274 A N 5.687 128.262 122.820 -0.407 0.000 2.488 274 A HA 0.564 4.889 4.320 0.009 0.000 0.249 274 A C 0.420 177.883 177.584 -0.202 0.000 1.083 274 A CA -0.229 51.454 52.037 -0.590 0.000 0.768 274 A CB -0.033 18.181 19.000 -1.309 0.000 1.017 274 A HN 0.717 nan 8.150 nan 0.000 0.496 275 M N 1.629 121.232 119.600 0.005 0.000 2.768 275 M HA 0.274 4.759 4.480 0.009 0.000 0.274 275 M C 1.756 178.176 176.300 0.199 0.000 1.076 275 M CA 0.035 55.298 55.300 -0.061 0.000 0.928 275 M CB 0.559 32.900 32.600 -0.431 0.000 1.596 275 M HN 0.893 nan 8.290 nan 0.000 0.546 276 S N -0.020 115.756 115.700 0.126 0.000 2.428 276 S HA 0.114 4.589 4.470 0.009 0.000 0.230 276 S C 0.979 175.639 174.600 0.100 0.000 1.014 276 S CA 0.861 59.187 58.200 0.209 0.000 0.957 276 S CB -0.146 63.127 63.200 0.121 0.000 0.784 276 S HN 0.730 nan 8.310 nan 0.000 0.499 277 A N -0.381 122.377 122.820 -0.104 0.000 2.573 277 A HA 0.749 5.075 4.320 0.009 0.000 0.269 277 A C 0.626 177.531 177.584 -1.131 0.000 0.901 277 A CA -0.035 51.568 52.037 -0.725 0.000 1.066 277 A CB -0.008 18.868 19.000 -0.206 0.000 1.221 277 A HN 1.117 nan 8.150 nan 0.000 0.483 278 G N -0.622 107.768 108.800 -0.684 0.000 2.513 278 G HA2 0.374 4.339 3.960 0.009 0.000 0.182 278 G HA3 0.374 4.339 3.960 0.009 0.000 0.182 278 G C -1.336 173.812 174.900 0.413 0.000 1.190 278 G CA 0.145 45.180 45.100 -0.109 0.000 0.987 278 G HN 1.200 nan 8.290 nan 0.000 0.479 279 W N -0.731 120.785 121.300 0.359 0.000 3.074 279 W HA 0.762 5.427 4.660 0.009 0.000 0.332 279 W C -1.453 175.216 176.519 0.250 0.000 1.253 279 W CA -1.387 56.086 57.345 0.214 0.000 1.180 279 W CB 1.185 30.830 29.460 0.309 0.000 1.445 279 W HN 0.847 nan 8.180 nan 0.000 0.573 280 M N 3.231 122.960 119.600 0.216 0.000 2.393 280 M HA 0.500 4.985 4.480 0.009 0.000 0.316 280 M C -1.513 174.946 176.300 0.264 0.000 1.087 280 M CA -0.509 54.752 55.300 -0.065 0.000 0.937 280 M CB 2.385 34.839 32.600 -0.242 0.000 1.668 280 M HN 0.533 nan 8.290 nan 0.000 0.438 281 W N 3.534 124.878 121.300 0.073 0.000 2.449 281 W HA 0.769 5.433 4.660 0.008 0.000 0.331 281 W C -1.744 174.824 176.519 0.081 0.000 1.119 281 W CA -0.548 56.932 57.345 0.225 0.000 1.240 281 W CB 0.669 30.283 29.460 0.257 0.000 1.251 281 W HN 0.582 nan 8.180 nan 0.000 0.576 282 T N 5.226 119.975 114.554 0.325 0.000 2.840 282 T HA 0.504 4.859 4.350 0.009 0.000 0.287 282 T C -0.723 174.061 174.700 0.139 0.000 0.991 282 T CA -0.488 61.709 62.100 0.161 0.000 0.964 282 T CB 0.588 69.474 68.868 0.030 0.000 0.954 282 T HN 0.414 nan 8.240 nan 0.000 0.438 283 I N 5.270 125.908 120.570 0.113 0.000 2.437 283 I HA 0.301 4.476 4.170 0.009 0.000 0.279 283 I C -2.552 173.435 176.117 -0.217 0.000 1.028 283 I CA -2.569 58.625 61.300 -0.177 0.000 1.142 283 I CB 2.152 40.111 38.000 -0.067 0.000 1.266 283 I HN 0.267 nan 8.210 nan 0.000 0.461 284 P HA 0.274 nan 4.420 nan 0.000 0.281 284 P C -0.535 176.749 177.300 -0.027 0.000 1.286 284 P CA 0.091 63.110 63.100 -0.135 0.000 0.772 284 P CB 0.573 32.199 31.700 -0.124 0.000 0.862 285 L N 2.652 123.904 121.223 0.050 0.000 2.397 285 L HA 0.414 4.759 4.340 0.009 0.000 0.266 285 L C 1.647 178.628 176.870 0.184 0.000 1.040 285 L CA -0.820 54.106 54.840 0.144 0.000 0.800 285 L CB 0.311 42.461 42.059 0.151 0.000 1.324 285 L HN 0.250 nan 8.230 nan 0.000 0.469 286 F N 0.252 120.242 119.950 0.067 0.000 2.134 286 F HA -0.165 4.367 4.527 0.009 0.000 0.299 286 F C 2.070 177.951 175.800 0.136 0.000 1.097 286 F CA 1.677 59.722 58.000 0.075 0.000 1.264 286 F CB 0.221 39.211 39.000 -0.017 0.000 1.001 286 F HN 0.363 nan 8.300 nan 0.000 0.479 287 K N -0.473 119.977 120.400 0.083 0.000 2.334 287 K HA 0.131 4.456 4.320 0.009 0.000 0.195 287 K C -0.027 176.567 176.600 -0.012 0.000 1.045 287 K CA 0.155 56.439 56.287 -0.005 0.000 1.004 287 K CB 0.439 32.984 32.500 0.074 0.000 0.837 287 K HN 0.289 nan 8.250 nan 0.000 0.510 288 R N -0.570 119.943 120.500 0.022 0.000 2.747 288 R HA 0.340 4.685 4.340 0.009 0.000 0.272 288 R C -1.821 174.491 176.300 0.020 0.000 1.032 288 R CA -0.987 55.122 56.100 0.013 0.000 0.896 288 R CB 0.694 31.015 30.300 0.034 0.000 1.253 288 R HN -0.300 nan 8.270 nan 0.000 0.461 289 D N -0.490 119.915 120.400 0.007 0.000 2.229 289 D HA 0.465 5.110 4.640 0.009 0.000 0.249 289 D C -0.420 175.916 176.300 0.059 0.000 1.027 289 D CA -0.050 53.956 54.000 0.012 0.000 0.923 289 D CB 1.776 42.564 40.800 -0.021 0.000 1.174 289 D HN 0.688 nan 8.370 nan 0.000 0.443 290 G N 1.075 109.943 108.800 0.114 0.000 2.379 290 G HA2 0.470 4.435 3.960 0.009 0.000 0.327 290 G HA3 0.470 4.435 3.960 0.009 0.000 0.327 290 G C -0.410 174.635 174.900 0.240 0.000 1.145 290 G CA -0.493 44.749 45.100 0.237 0.000 0.905 290 G HN 0.303 nan 8.290 nan 0.000 0.466 291 N N -0.050 118.666 118.700 0.026 0.000 2.235 291 N HA 0.733 5.478 4.740 0.009 0.000 0.293 291 N C -0.501 174.411 175.510 -0.998 0.000 1.083 291 N CA -0.351 52.421 53.050 -0.463 0.000 0.801 291 N CB 2.635 40.952 38.487 -0.284 0.000 1.559 291 N HN 0.821 nan 8.380 nan 0.000 0.472 292 G N 0.357 108.035 108.800 -1.871 0.000 2.703 292 G HA2 0.353 4.318 3.960 0.009 0.000 0.294 292 G HA3 0.353 4.318 3.960 0.009 0.000 0.294 292 G C -2.356 171.897 174.900 -1.077 0.000 1.451 292 G CA -0.283 43.680 45.100 -1.895 0.000 0.869 292 G HN 0.311 nan 8.290 nan 0.000 0.516 293 Y N 2.239 122.141 120.300 -0.663 0.000 2.334 293 Y HA 0.609 5.164 4.550 0.008 0.000 0.336 293 Y C -0.540 175.252 175.900 -0.179 0.000 0.960 293 Y CA -1.666 56.207 58.100 -0.377 0.000 1.164 293 Y CB 1.546 39.859 38.460 -0.245 0.000 1.155 293 Y HN 0.332 nan 8.280 nan 0.000 0.478 294 V N 9.289 129.152 119.914 -0.084 0.000 2.432 294 V HA 0.335 4.460 4.120 0.009 0.000 0.275 294 V C -0.726 175.328 176.094 -0.066 0.000 1.043 294 V CA -0.286 61.919 62.300 -0.159 0.000 0.925 294 V CB 0.195 31.771 31.823 -0.412 0.000 0.985 294 V HN 0.689 nan 8.190 nan 0.000 0.466 295 Y N 2.031 122.186 120.300 -0.240 0.000 2.655 295 Y HA 0.766 5.321 4.550 0.008 0.000 0.336 295 Y C -0.377 175.477 175.900 -0.077 0.000 1.154 295 Y CA -1.241 56.682 58.100 -0.296 0.000 1.055 295 Y CB 1.760 39.796 38.460 -0.707 0.000 1.295 295 Y HN 0.381 nan 8.280 nan 0.000 0.465 296 S N 0.743 116.525 115.700 0.136 0.000 2.437 296 S HA 0.214 4.690 4.470 0.009 0.000 0.305 296 S C 0.068 174.829 174.600 0.269 0.000 1.109 296 S CA -0.326 57.984 58.200 0.184 0.000 1.099 296 S CB 0.417 63.867 63.200 0.416 0.000 1.004 296 S HN 0.802 nan 8.310 nan 0.000 0.475 297 D N 3.098 123.574 120.400 0.127 0.000 2.363 297 D HA -0.089 4.556 4.640 0.009 0.000 0.226 297 D C 1.092 177.424 176.300 0.053 0.000 1.020 297 D CA 0.444 54.540 54.000 0.161 0.000 0.892 297 D CB -0.105 40.752 40.800 0.095 0.000 0.900 297 D HN 0.754 nan 8.370 nan 0.000 0.531 298 E N -0.964 119.236 120.200 0.000 0.000 2.274 298 E HA -0.090 4.265 4.350 0.009 0.000 0.194 298 E C 0.551 176.893 176.600 -0.431 0.000 0.996 298 E CA 0.549 56.805 56.400 -0.240 0.000 0.840 298 E CB 0.005 29.487 29.700 -0.363 0.000 0.772 298 E HN 0.348 nan 8.360 nan 0.000 0.491 299 F N -0.235 119.768 119.950 0.088 0.000 2.712 299 F HA 0.380 4.911 4.527 0.007 0.000 0.297 299 F C 0.794 176.617 175.800 0.038 0.000 1.114 299 F CA 0.006 58.057 58.000 0.085 0.000 1.305 299 F CB 1.092 40.193 39.000 0.168 0.000 1.086 299 F HN -0.125 nan 8.300 nan 0.000 0.599 300 I N -0.229 120.438 120.570 0.161 0.000 2.775 300 I HA 0.275 4.451 4.170 0.009 0.000 0.295 300 I C -0.405 175.705 176.117 -0.012 0.000 1.287 300 I CA -0.820 60.494 61.300 0.023 0.000 1.029 300 I CB 1.720 39.666 38.000 -0.090 0.000 1.282 300 I HN -0.048 nan 8.210 nan 0.000 0.426 301 S N 5.808 121.475 115.700 -0.055 0.000 2.603 301 S HA 0.448 4.923 4.470 0.009 0.000 0.268 301 S C -2.099 172.434 174.600 -0.113 0.000 1.317 301 S CA -0.858 57.321 58.200 -0.035 0.000 1.012 301 S CB 1.255 64.433 63.200 -0.036 0.000 0.926 301 S HN 0.485 nan 8.310 nan 0.000 0.539 302 P HA -0.182 nan 4.420 nan 0.000 0.216 302 P C 1.573 178.870 177.300 -0.005 0.000 1.150 302 P CA 1.498 64.618 63.100 0.034 0.000 0.843 302 P CB -0.032 31.680 31.700 0.019 0.000 0.787 303 E N 0.260 120.433 120.200 -0.045 0.000 2.112 303 E HA -0.158 4.197 4.350 0.009 0.000 0.190 303 E C 1.713 178.286 176.600 -0.045 0.000 0.979 303 E CA 1.038 57.427 56.400 -0.017 0.000 0.814 303 E CB -0.955 28.731 29.700 -0.024 0.000 0.762 303 E HN 0.315 nan 8.360 nan 0.000 0.460 304 E N 1.392 121.544 120.200 -0.080 0.000 2.097 304 E HA -0.178 4.178 4.350 0.009 0.000 0.196 304 E C 2.158 178.692 176.600 -0.111 0.000 1.000 304 E CA 1.538 57.890 56.400 -0.080 0.000 0.804 304 E CB -0.198 29.457 29.700 -0.075 0.000 0.740 304 E HN 0.419 nan 8.360 nan 0.000 0.454 305 A N 1.288 123.940 122.820 -0.280 0.000 1.902 305 A HA -0.254 4.071 4.320 0.009 0.000 0.217 305 A C 2.071 179.596 177.584 -0.098 0.000 1.181 305 A CA 1.590 53.394 52.037 -0.389 0.000 0.623 305 A CB -0.457 17.721 19.000 -1.370 0.000 0.818 305 A HN 0.256 nan 8.150 nan 0.000 0.443 306 E N -0.306 119.845 120.200 -0.082 0.000 2.085 306 E HA -0.219 4.136 4.350 0.009 0.000 0.194 306 E C 2.297 178.887 176.600 -0.018 0.000 0.994 306 E CA 1.091 57.478 56.400 -0.023 0.000 0.801 306 E CB -0.107 29.637 29.700 0.074 0.000 0.743 306 E HN 0.564 nan 8.360 nan 0.000 0.453 307 R N 0.247 120.738 120.500 -0.015 0.000 2.081 307 R HA -0.144 4.201 4.340 0.009 0.000 0.235 307 R C 2.442 178.727 176.300 -0.025 0.000 1.131 307 R CA 1.447 57.536 56.100 -0.019 0.000 0.960 307 R CB -0.268 30.022 30.300 -0.017 0.000 0.856 307 R HN 0.304 nan 8.270 nan 0.000 0.436 308 E N 0.716 120.910 120.200 -0.010 0.000 2.106 308 E HA -0.189 4.166 4.350 0.009 0.000 0.192 308 E C 1.953 178.496 176.600 -0.096 0.000 0.984 308 E CA 0.711 57.093 56.400 -0.032 0.000 0.806 308 E CB 0.075 29.792 29.700 0.028 0.000 0.750 308 E HN 0.079 nan 8.360 nan 0.000 0.458 309 L N 1.355 122.542 121.223 -0.061 0.000 1.994 309 L HA -0.155 4.191 4.340 0.009 0.000 0.208 309 L C 2.287 179.086 176.870 -0.118 0.000 1.071 309 L CA 1.755 56.519 54.840 -0.127 0.000 0.745 309 L CB -0.391 41.616 42.059 -0.086 0.000 0.892 309 L HN -0.021 nan 8.230 nan 0.000 0.431 310 R N -0.849 119.602 120.500 -0.082 0.000 2.091 310 R HA -0.141 4.204 4.340 0.009 0.000 0.238 310 R C 2.239 178.498 176.300 -0.068 0.000 1.136 310 R CA 1.593 57.650 56.100 -0.070 0.000 0.959 310 R CB -0.607 29.664 30.300 -0.048 0.000 0.856 310 R HN 0.413 nan 8.270 nan 0.000 0.437 311 S N -0.254 115.407 115.700 -0.066 0.000 2.399 311 S HA -0.092 4.383 4.470 0.009 0.000 0.231 311 S C 1.786 176.343 174.600 -0.072 0.000 1.022 311 S CA 1.628 59.792 58.200 -0.060 0.000 0.983 311 S CB -0.026 63.142 63.200 -0.054 0.000 0.803 311 S HN 0.420 nan 8.310 nan 0.000 0.480 312 T N 1.046 115.542 114.554 -0.096 0.000 2.939 312 T HA 0.042 4.397 4.350 0.009 0.000 0.254 312 T C 1.901 176.543 174.700 -0.097 0.000 1.041 312 T CA 1.276 63.313 62.100 -0.106 0.000 1.142 312 T CB -0.012 68.767 68.868 -0.148 0.000 0.874 312 T HN 0.446 nan 8.240 nan 0.000 0.452 313 V N -2.230 117.622 119.914 -0.104 0.000 3.612 313 V HA 0.791 4.916 4.120 0.009 0.000 0.268 313 V C 0.916 176.962 176.094 -0.078 0.000 1.365 313 V CA 0.149 62.391 62.300 -0.096 0.000 1.044 313 V CB 0.082 31.833 31.823 -0.120 0.000 0.820 313 V HN 0.302 nan 8.190 nan 0.000 0.444 314 A N 0.698 123.474 122.820 -0.072 0.000 3.292 314 A HA 0.702 5.027 4.320 0.009 0.000 0.231 314 A C -2.848 174.707 177.584 -0.047 0.000 0.952 314 A CA -1.002 51.001 52.037 -0.057 0.000 1.044 314 A CB -0.143 18.823 19.000 -0.057 0.000 1.236 314 A HN 0.379 nan 8.150 nan 0.000 0.525 315 P HA 0.258 nan 4.420 nan 0.000 0.262 315 P C 1.262 178.544 177.300 -0.030 0.000 1.182 315 P CA 2.314 65.392 63.100 -0.037 0.000 0.761 315 P CB 0.672 32.351 31.700 -0.036 0.000 0.795 316 G N 3.093 111.877 108.800 -0.026 0.000 2.189 316 G HA2 -0.316 3.650 3.960 0.009 0.000 0.267 316 G HA3 -0.316 3.650 3.960 0.009 0.000 0.267 316 G C 0.464 175.353 174.900 -0.019 0.000 0.975 316 G CA -0.263 44.825 45.100 -0.020 0.000 0.644 316 G HN 0.583 nan 8.290 nan 0.000 0.537 317 R N 0.727 121.214 120.500 -0.022 0.000 4.231 317 R HA 0.206 4.552 4.340 0.009 0.000 0.250 317 R C 0.153 176.444 176.300 -0.015 0.000 1.600 317 R CA -0.272 55.817 56.100 -0.019 0.000 1.523 317 R CB 0.181 30.467 30.300 -0.024 0.000 1.422 317 R HN 0.188 nan 8.270 nan 0.000 0.759 318 D N 1.088 121.482 120.400 -0.010 0.000 2.347 318 D HA -0.129 4.517 4.640 0.009 0.000 0.215 318 D C 1.312 177.612 176.300 -0.000 0.000 0.976 318 D CA 0.880 54.876 54.000 -0.005 0.000 0.884 318 D CB 0.231 41.029 40.800 -0.003 0.000 0.915 318 D HN 0.488 nan 8.370 nan 0.000 0.526 319 D N 0.464 120.863 120.400 -0.001 0.000 2.309 319 D HA -0.156 4.490 4.640 0.009 0.000 0.212 319 D C 0.773 177.075 176.300 0.005 0.000 0.968 319 D CA 0.257 54.259 54.000 0.003 0.000 0.882 319 D CB -0.108 40.692 40.800 0.001 0.000 0.918 319 D HN 0.233 nan 8.370 nan 0.000 0.503 320 L N 1.570 122.793 121.223 -0.000 0.000 2.315 320 L HA 0.176 4.521 4.340 0.009 0.000 0.283 320 L C 0.665 177.537 176.870 0.004 0.000 1.089 320 L CA -0.420 54.420 54.840 0.000 0.000 0.833 320 L CB 0.882 42.935 42.059 -0.010 0.000 1.170 320 L HN -0.017 nan 8.230 nan 0.000 0.442 321 E N 3.081 123.289 120.200 0.014 0.000 2.344 321 E HA 0.367 4.722 4.350 0.009 0.000 0.270 321 E C -0.458 176.151 176.600 0.015 0.000 1.021 321 E CA -0.580 55.834 56.400 0.023 0.000 0.887 321 E CB 1.149 30.869 29.700 0.033 0.000 0.997 321 E HN 0.666 nan 8.360 nan 0.000 0.429 322 A N 4.630 127.459 122.820 0.014 0.000 2.327 322 A HA 0.226 4.551 4.320 0.009 0.000 0.283 322 A C -0.243 177.337 177.584 -0.007 0.000 1.127 322 A CA -0.669 51.347 52.037 -0.035 0.000 0.810 322 A CB 0.677 19.629 19.000 -0.080 0.000 1.066 322 A HN 0.697 nan 8.150 nan 0.000 0.492 323 N N 1.465 120.140 118.700 -0.042 0.000 2.469 323 N HA 0.176 4.921 4.740 0.009 0.000 0.253 323 N C -1.024 174.472 175.510 -0.023 0.000 0.970 323 N CA -0.225 52.840 53.050 0.025 0.000 0.940 323 N CB 0.267 38.795 38.487 0.068 0.000 1.128 323 N HN 0.628 nan 8.380 nan 0.000 0.503 324 H N 4.120 123.234 119.070 0.073 0.000 2.562 324 H HA 0.379 4.940 4.556 0.008 0.000 0.314 324 H C -0.142 175.234 175.328 0.081 0.000 1.079 324 H CA -0.104 55.993 56.048 0.081 0.000 1.349 324 H CB 1.302 31.104 29.762 0.067 0.000 1.432 324 H HN 0.457 nan 8.280 nan 0.000 0.479 325 I N 2.991 123.670 120.570 0.181 0.000 2.498 325 I HA 0.158 4.333 4.170 0.009 0.000 0.290 325 I C -0.165 175.994 176.117 0.069 0.000 1.032 325 I CA -0.727 60.658 61.300 0.140 0.000 1.073 325 I CB 2.284 40.388 38.000 0.172 0.000 1.251 325 I HN 0.359 nan 8.210 nan 0.000 0.426 326 Q N 6.275 126.088 119.800 0.021 0.000 2.296 326 Q HA 0.539 4.884 4.340 0.009 0.000 0.257 326 Q C -0.912 174.936 176.000 -0.254 0.000 0.942 326 Q CA -0.306 55.441 55.803 -0.094 0.000 0.939 326 Q CB 1.832 30.514 28.738 -0.095 0.000 1.198 326 Q HN 0.514 nan 8.270 nan 0.000 0.429 327 M N 1.917 121.339 119.600 -0.296 0.000 2.318 327 M HA 0.391 4.876 4.480 0.009 0.000 0.347 327 M C -0.120 175.789 176.300 -0.653 0.000 1.175 327 M CA -0.373 54.613 55.300 -0.523 0.000 1.075 327 M CB 1.443 34.069 32.600 0.043 0.000 1.614 327 M HN 0.356 nan 8.290 nan 0.000 0.456 328 R N 3.456 123.264 120.500 -1.153 0.000 2.247 328 R HA 0.427 4.772 4.340 0.009 0.000 0.329 328 R C -1.361 174.947 176.300 0.014 0.000 1.014 328 R CA -0.407 55.358 56.100 -0.558 0.000 0.907 328 R CB 0.526 30.402 30.300 -0.706 0.000 1.146 328 R HN 0.644 nan 8.270 nan 0.000 0.499 329 I N 4.497 125.148 120.570 0.134 0.000 2.312 329 I HA 0.502 4.678 4.170 0.009 0.000 0.290 329 I C 0.866 177.003 176.117 0.034 0.000 1.008 329 I CA 0.140 61.562 61.300 0.203 0.000 1.226 329 I CB 0.695 38.789 38.000 0.156 0.000 1.371 329 I HN 0.955 nan 8.210 nan 0.000 0.468 330 G N 7.360 115.969 108.800 -0.318 0.000 2.334 330 G HA2 0.210 4.175 3.960 0.009 0.000 0.249 330 G HA3 0.210 4.175 3.960 0.009 0.000 0.249 330 G C -1.212 173.007 174.900 -1.136 0.000 1.327 330 G CA -0.894 43.246 45.100 -1.599 0.000 0.979 330 G HN 0.743 nan 8.290 nan 0.000 0.471 331 R N -0.612 119.020 120.500 -1.446 0.000 2.707 331 R HA 0.595 4.940 4.340 0.009 0.000 0.272 331 R C -0.963 174.818 176.300 -0.865 0.000 1.011 331 R CA -1.057 54.588 56.100 -0.759 0.000 0.893 331 R CB 0.937 31.056 30.300 -0.301 0.000 1.233 331 R HN 0.425 nan 8.270 nan 0.000 0.464 332 N N 1.622 120.170 118.700 -0.254 0.000 2.407 332 N HA -0.055 4.690 4.740 0.009 0.000 0.250 332 N C 0.573 176.023 175.510 -0.100 0.000 1.236 332 N CA 0.152 53.166 53.050 -0.060 0.000 0.879 332 N CB 0.844 39.393 38.487 0.104 0.000 1.088 332 N HN 0.625 nan 8.380 nan 0.000 0.450 333 E N 1.992 122.152 120.200 -0.067 0.000 2.070 333 E HA -0.135 4.221 4.350 0.009 0.000 0.197 333 E C 0.069 176.656 176.600 -0.021 0.000 1.004 333 E CA 1.558 57.932 56.400 -0.043 0.000 0.805 333 E CB 0.199 29.887 29.700 -0.021 0.000 0.744 333 E HN 0.480 nan 8.360 nan 0.000 0.451 334 R N -0.280 120.226 120.500 0.011 0.000 2.513 334 R HA 0.192 4.537 4.340 0.009 0.000 0.301 334 R C 0.879 177.233 176.300 0.090 0.000 0.968 334 R CA 0.132 56.259 56.100 0.046 0.000 0.872 334 R CB 1.471 31.798 30.300 0.046 0.000 1.177 334 R HN 0.053 nan 8.270 nan 0.000 0.444 335 T N -1.252 113.385 114.554 0.137 0.000 3.057 335 T HA 0.051 4.406 4.350 0.009 0.000 0.254 335 T C 0.287 175.136 174.700 0.248 0.000 1.094 335 T CA 0.128 62.329 62.100 0.167 0.000 1.088 335 T CB 0.344 69.310 68.868 0.163 0.000 0.934 335 T HN 0.449 nan 8.240 nan 0.000 0.497 336 W N 2.070 123.420 121.300 0.085 0.000 2.362 336 W HA 0.690 5.355 4.660 0.008 0.000 0.316 336 W C -1.911 174.580 176.519 -0.047 0.000 1.024 336 W CA -2.907 54.443 57.345 0.009 0.000 1.270 336 W CB 0.414 29.873 29.460 -0.001 0.000 1.273 336 W HN 0.088 nan 8.180 nan 0.000 0.424 337 I N 7.986 128.743 120.570 0.313 0.000 2.466 337 I HA 0.191 4.367 4.170 0.009 0.000 0.289 337 I C 0.362 176.417 176.117 -0.105 0.000 1.026 337 I CA -0.573 60.766 61.300 0.064 0.000 1.078 337 I CB 1.654 39.648 38.000 -0.010 0.000 1.249 337 I HN 0.441 nan 8.210 nan 0.000 0.429 338 N N 3.823 122.309 118.700 -0.357 0.000 1.188 338 N HA -0.304 4.442 4.740 0.009 0.000 0.128 338 N C 0.454 175.321 175.510 -1.073 0.000 0.759 338 N CA 2.004 54.381 53.050 -1.121 0.000 0.905 338 N CB -0.774 36.879 38.487 -1.390 0.000 1.156 338 N HN 0.897 nan 8.380 nan 0.000 0.553 339 N N 0.773 118.728 118.700 -1.243 0.000 2.378 339 N HA 0.218 4.963 4.740 0.009 0.000 0.243 339 N C -0.494 174.940 175.510 -0.126 0.000 1.137 339 N CA -0.171 52.540 53.050 -0.565 0.000 0.862 339 N CB -0.439 37.771 38.487 -0.461 0.000 1.116 339 N HN 0.570 nan 8.380 nan 0.000 0.499 340 C N 0.559 119.757 119.300 -0.170 0.000 2.396 340 C HA 0.704 5.169 4.460 0.009 0.000 0.321 340 C C -0.871 173.955 174.990 -0.275 0.000 1.233 340 C CA -0.419 58.507 59.018 -0.153 0.000 1.440 340 C CB 0.524 28.192 27.740 -0.120 0.000 2.110 340 C HN 0.167 nan 8.230 nan 0.000 0.473 341 V N 5.871 125.560 119.914 -0.375 0.000 2.409 341 V HA 0.708 4.833 4.120 0.009 0.000 0.291 341 V C 0.651 176.653 176.094 -0.153 0.000 1.020 341 V CA -0.312 61.760 62.300 -0.380 0.000 0.848 341 V CB 1.290 32.695 31.823 -0.697 0.000 0.990 341 V HN 1.159 nan 8.190 nan 0.000 0.430 342 A N 4.793 127.588 122.820 -0.042 0.000 2.366 342 A HA 0.757 5.083 4.320 0.009 0.000 0.272 342 A C -0.449 177.143 177.584 0.013 0.000 1.135 342 A CA -0.277 51.757 52.037 -0.006 0.000 0.804 342 A CB 0.715 19.736 19.000 0.035 0.000 1.064 342 A HN 0.757 nan 8.150 nan 0.000 0.499 343 V N 2.352 122.261 119.914 -0.007 0.000 2.638 343 V HA 0.767 4.892 4.120 0.009 0.000 0.306 343 V C 0.728 176.821 176.094 -0.002 0.000 1.052 343 V CA 0.625 62.926 62.300 0.001 0.000 0.885 343 V CB 0.932 32.738 31.823 -0.028 0.000 0.999 343 V HN 2.179 nan 8.190 nan 0.000 0.424 344 G N 3.139 111.960 108.800 0.035 0.000 2.484 344 G HA2 -0.177 3.788 3.960 0.009 0.000 0.225 344 G HA3 -0.177 3.788 3.960 0.009 0.000 0.225 344 G C 0.377 175.311 174.900 0.055 0.000 1.250 344 G CA -0.055 45.067 45.100 0.037 0.000 0.926 344 G HN 0.714 nan 8.290 nan 0.000 0.581 345 L N 1.625 122.810 121.223 -0.064 0.000 2.265 345 L HA -0.037 4.309 4.340 0.009 0.000 0.215 345 L C 3.201 180.072 176.870 0.000 0.000 1.117 345 L CA 2.171 56.930 54.840 -0.136 0.000 0.782 345 L CB -0.601 41.014 42.059 -0.740 0.000 0.914 345 L HN 0.764 nan 8.230 nan 0.000 0.441 346 S N -0.169 115.520 115.700 -0.018 0.000 2.423 346 S HA -0.074 4.401 4.470 0.009 0.000 0.231 346 S C 2.086 176.752 174.600 0.110 0.000 1.014 346 S CA 0.693 58.911 58.200 0.030 0.000 0.965 346 S CB -0.130 63.064 63.200 -0.010 0.000 0.785 346 S HN 0.361 nan 8.310 nan 0.000 0.495 347 A N 1.621 124.511 122.820 0.117 0.000 1.903 347 A HA 0.730 5.055 4.320 0.009 0.000 0.213 347 A C 1.085 178.784 177.584 0.192 0.000 1.185 347 A CA 0.866 52.980 52.037 0.128 0.000 0.628 347 A CB -0.456 18.586 19.000 0.071 0.000 0.830 347 A HN 1.378 nan 8.150 nan 0.000 0.446 348 A N -2.819 120.152 122.820 0.251 0.000 2.549 348 A HA 0.555 4.880 4.320 0.009 0.000 0.291 348 A C -1.640 176.225 177.584 0.469 0.000 1.034 348 A CA -0.243 51.949 52.037 0.258 0.000 0.655 348 A CB 0.223 19.199 19.000 -0.040 0.000 1.299 348 A HN 1.241 nan 8.150 nan 0.000 0.427 349 F N 0.132 120.258 119.950 0.293 0.000 2.669 349 F HA 0.565 5.098 4.527 0.010 0.000 0.315 349 F C -1.041 174.986 175.800 0.379 0.000 1.109 349 F CA -0.180 58.066 58.000 0.410 0.000 1.028 349 F CB 1.706 41.014 39.000 0.512 0.000 1.287 349 F HN 1.258 nan 8.300 nan 0.000 0.452 350 V N 1.939 121.651 119.914 -0.336 0.000 2.960 350 V HA 0.649 4.775 4.120 0.009 0.000 0.315 350 V C -0.430 175.177 176.094 -0.812 0.000 1.087 350 V CA -0.938 61.188 62.300 -0.290 0.000 0.982 350 V CB 1.643 33.539 31.823 0.123 0.000 1.039 350 V HN 0.908 nan 8.190 nan 0.000 0.437 351 E N 3.357 123.403 120.200 -0.256 0.000 2.467 351 E HA 0.103 4.458 4.350 0.009 0.000 0.264 351 E C -1.979 174.700 176.600 0.131 0.000 1.020 351 E CA -1.016 55.405 56.400 0.034 0.000 0.945 351 E CB 0.329 30.262 29.700 0.389 0.000 0.942 351 E HN 0.630 nan 8.360 nan 0.000 0.449 352 P HA -0.025 nan 4.420 nan 0.000 0.258 352 P C 0.677 178.210 177.300 0.389 0.000 1.559 352 P CA -0.054 63.237 63.100 0.318 0.000 0.855 352 P CB -0.019 31.841 31.700 0.267 0.000 1.594 353 L N 0.430 121.795 121.223 0.237 0.000 2.201 353 L HA -0.041 4.304 4.340 0.009 0.000 0.212 353 L C 1.432 178.171 176.870 -0.218 0.000 1.105 353 L CA 1.975 56.628 54.840 -0.311 0.000 0.775 353 L CB -0.473 41.248 42.059 -0.564 0.000 0.913 353 L HN -0.090 nan 8.230 nan 0.000 0.440 354 E N -0.793 119.361 120.200 -0.077 0.000 2.734 354 E HA 0.219 4.575 4.350 0.009 0.000 0.211 354 E C -0.025 176.694 176.600 0.197 0.000 0.991 354 E CA 0.172 56.629 56.400 0.094 0.000 1.065 354 E CB 0.322 30.067 29.700 0.074 0.000 1.047 354 E HN 0.263 nan 8.360 nan 0.000 0.470 355 S N 0.712 116.491 115.700 0.132 0.000 3.484 355 S HA -0.154 4.322 4.470 0.009 0.000 0.384 355 S C 1.049 175.688 174.600 0.064 0.000 0.932 355 S CA 1.120 59.398 58.200 0.130 0.000 1.293 355 S CB -1.559 61.761 63.200 0.199 0.000 0.919 355 S HN 0.532 nan 8.310 nan 0.000 0.540 356 T N -3.114 111.396 114.554 -0.073 0.000 2.985 356 T HA 0.338 4.694 4.350 0.009 0.000 0.254 356 T C 1.946 176.351 174.700 -0.492 0.000 1.021 356 T CA 0.552 62.443 62.100 -0.349 0.000 0.957 356 T CB 0.268 68.779 68.868 -0.594 0.000 1.047 356 T HN 0.564 nan 8.240 nan 0.000 0.511 357 G N 2.287 111.022 108.800 -0.108 0.000 2.446 357 G HA2 -0.088 3.877 3.960 0.009 0.000 0.217 357 G HA3 -0.088 3.877 3.960 0.009 0.000 0.217 357 G C 1.346 176.320 174.900 0.124 0.000 1.168 357 G CA 0.812 45.995 45.100 0.137 0.000 0.771 357 G HN 0.541 nan 8.290 nan 0.000 0.551 358 I N -0.262 120.376 120.570 0.113 0.000 2.439 358 I HA 0.008 4.184 4.170 0.009 0.000 0.251 358 I C 2.328 178.511 176.117 0.110 0.000 1.139 358 I CA 0.433 61.799 61.300 0.110 0.000 1.438 358 I CB -0.151 37.947 38.000 0.163 0.000 1.085 358 I HN 0.214 nan 8.210 nan 0.000 0.427 359 F N 1.715 121.664 119.950 -0.002 0.000 2.095 359 F HA -0.277 4.255 4.527 0.008 0.000 0.298 359 F C 2.048 177.941 175.800 0.156 0.000 1.104 359 F CA 1.616 59.643 58.000 0.045 0.000 1.232 359 F CB -0.544 38.412 39.000 -0.072 0.000 0.987 359 F HN -0.075 nan 8.300 nan 0.000 0.475 360 F N 0.911 120.725 119.950 -0.227 0.000 2.161 360 F HA -0.187 4.345 4.527 0.008 0.000 0.300 360 F C 2.364 178.059 175.800 -0.175 0.000 1.089 360 F CA 1.120 58.950 58.000 -0.283 0.000 1.282 360 F CB -1.407 37.587 39.000 -0.011 0.000 1.010 360 F HN 0.065 nan 8.300 nan 0.000 0.485 361 I N -0.478 120.143 120.570 0.085 0.000 2.163 361 I HA -0.315 3.861 4.170 0.009 0.000 0.240 361 I C 2.631 178.683 176.117 -0.109 0.000 1.081 361 I CA 1.493 62.784 61.300 -0.015 0.000 1.353 361 I CB -0.648 37.324 38.000 -0.046 0.000 1.054 361 I HN 0.140 nan 8.210 nan 0.000 0.407 362 Q N 0.341 120.053 119.800 -0.146 0.000 2.061 362 Q HA -0.331 4.015 4.340 0.009 0.000 0.204 362 Q C 2.295 178.211 176.000 -0.139 0.000 0.984 362 Q CA 2.242 57.938 55.803 -0.179 0.000 0.846 362 Q CB -0.180 28.513 28.738 -0.076 0.000 0.902 362 Q HN 0.539 nan 8.270 nan 0.000 0.421 363 H N -0.359 118.588 119.070 -0.205 0.000 2.357 363 H HA 0.010 4.572 4.556 0.009 0.000 0.301 363 H C 1.787 177.045 175.328 -0.116 0.000 1.082 363 H CA 1.809 57.759 56.048 -0.163 0.000 1.342 363 H CB -0.254 29.346 29.762 -0.271 0.000 1.389 363 H HN 0.400 nan 8.280 nan 0.000 0.511 364 A N 0.480 123.240 122.820 -0.100 0.000 1.917 364 A HA -0.174 4.152 4.320 0.009 0.000 0.219 364 A C 2.475 180.057 177.584 -0.003 0.000 1.182 364 A CA 1.965 53.978 52.037 -0.040 0.000 0.633 364 A CB -0.822 18.191 19.000 0.023 0.000 0.819 364 A HN 0.521 nan 8.150 nan 0.000 0.448 365 I N -1.023 119.461 120.570 -0.143 0.000 2.333 365 I HA -0.177 3.998 4.170 0.009 0.000 0.246 365 I C 2.445 178.350 176.117 -0.352 0.000 1.106 365 I CA 1.215 62.378 61.300 -0.227 0.000 1.411 365 I CB -0.461 37.332 38.000 -0.346 0.000 1.082 365 I HN 0.373 nan 8.210 nan 0.000 0.420 366 E N 0.567 120.469 120.200 -0.496 0.000 2.085 366 E HA -0.254 4.101 4.350 0.009 0.000 0.194 366 E C 2.129 178.655 176.600 -0.124 0.000 0.994 366 E CA 1.067 57.227 56.400 -0.400 0.000 0.801 366 E CB -0.031 29.476 29.700 -0.321 0.000 0.743 366 E HN 0.432 nan 8.360 nan 0.000 0.453 367 Q N 0.055 119.796 119.800 -0.098 0.000 2.311 367 Q HA -0.054 4.291 4.340 0.009 0.000 0.203 367 Q C 2.197 178.501 176.000 0.506 0.000 0.954 367 Q CA 0.417 56.322 55.803 0.171 0.000 0.885 367 Q CB -0.020 28.681 28.738 -0.062 0.000 0.963 367 Q HN 0.239 nan 8.270 nan 0.000 0.471 368 L N -0.094 121.338 121.223 0.348 0.000 2.056 368 L HA -0.088 4.258 4.340 0.009 0.000 0.207 368 L C 2.060 179.142 176.870 0.352 0.000 1.078 368 L CA 1.250 56.213 54.840 0.205 0.000 0.749 368 L CB -0.565 41.502 42.059 0.013 0.000 0.901 368 L HN -0.098 nan 8.230 nan 0.000 0.433 369 V N 0.206 120.270 119.914 0.250 0.000 2.343 369 V HA -0.261 3.864 4.120 0.009 0.000 0.247 369 V C 2.673 178.959 176.094 0.319 0.000 1.051 369 V CA 1.854 64.299 62.300 0.241 0.000 1.036 369 V CB -0.760 31.083 31.823 0.034 0.000 0.654 369 V HN 0.448 nan 8.190 nan 0.000 0.451 370 K N -0.345 120.206 120.400 0.253 0.000 2.148 370 K HA -0.127 4.198 4.320 0.009 0.000 0.204 370 K C 1.582 178.247 176.600 0.107 0.000 1.050 370 K CA 1.399 57.781 56.287 0.158 0.000 0.942 370 K CB -0.393 32.162 32.500 0.092 0.000 0.724 370 K HN 0.582 nan 8.250 nan 0.000 0.446 371 H N -1.090 118.149 119.070 0.282 0.000 2.505 371 H HA 0.162 4.723 4.556 0.009 0.000 0.289 371 H C -0.466 175.054 175.328 0.319 0.000 1.052 371 H CA -0.653 55.562 56.048 0.278 0.000 1.156 371 H CB -0.428 29.547 29.762 0.354 0.000 1.507 371 H HN -0.047 nan 8.280 nan 0.000 0.548 372 F N 4.124 124.218 119.950 0.239 0.000 2.623 372 F HA 0.063 4.595 4.527 0.009 0.000 0.383 372 F C -1.681 174.151 175.800 0.053 0.000 1.077 372 F CA -2.311 55.788 58.000 0.165 0.000 1.268 372 F CB 0.563 39.666 39.000 0.172 0.000 1.053 372 F HN 0.112 nan 8.300 nan 0.000 0.571 373 P HA 0.256 nan 4.420 nan 0.000 0.278 373 P C -0.237 176.764 177.300 -0.498 0.000 1.238 373 P CA -0.357 62.425 63.100 -0.529 0.000 0.794 373 P CB 1.053 32.100 31.700 -1.087 0.000 0.955 374 G N 1.193 109.761 108.800 -0.386 0.000 2.537 374 G HA2 0.182 4.148 3.960 0.009 0.000 0.297 374 G HA3 0.182 4.148 3.960 0.009 0.000 0.297 374 G C 0.851 175.528 174.900 -0.372 0.000 1.310 374 G CA -0.433 44.502 45.100 -0.274 0.000 1.027 374 G HN 0.592 nan 8.290 nan 0.000 0.505 375 E N -0.799 119.294 120.200 -0.179 0.000 2.153 375 E HA -0.098 4.257 4.350 0.009 0.000 0.194 375 E C 0.774 177.380 176.600 0.009 0.000 0.988 375 E CA 0.589 56.945 56.400 -0.072 0.000 0.811 375 E CB 0.003 29.706 29.700 0.006 0.000 0.746 375 E HN 0.263 nan 8.360 nan 0.000 0.466 376 R N 1.187 121.673 120.500 -0.023 0.000 2.248 376 R HA 0.125 4.471 4.340 0.009 0.000 0.337 376 R C -1.114 175.207 176.300 0.035 0.000 1.106 376 R CA -0.534 55.605 56.100 0.064 0.000 0.959 376 R CB 0.220 30.541 30.300 0.035 0.000 1.075 376 R HN 0.134 nan 8.270 nan 0.000 0.480 377 W N 2.301 123.642 121.300 0.068 0.000 2.210 377 W HA -0.013 4.652 4.660 0.008 0.000 0.330 377 W C 0.646 177.191 176.519 0.043 0.000 1.334 377 W CA 0.231 57.639 57.345 0.105 0.000 1.227 377 W CB 0.305 29.939 29.460 0.289 0.000 1.178 377 W HN 0.360 nan 8.180 nan 0.000 0.560 378 D N 4.299 124.791 120.400 0.153 0.000 2.454 378 D HA 0.277 4.922 4.640 0.009 0.000 0.247 378 D C -1.827 174.474 176.300 0.000 0.000 1.129 378 D CA -2.483 51.548 54.000 0.053 0.000 0.877 378 D CB 1.823 42.621 40.800 -0.003 0.000 1.082 378 D HN -0.044 nan 8.370 nan 0.000 0.537 379 P HA -0.111 nan 4.420 nan 0.000 0.218 379 P C 1.516 178.784 177.300 -0.053 0.000 1.149 379 P CA 0.463 63.548 63.100 -0.024 0.000 0.817 379 P CB 0.503 32.215 31.700 0.019 0.000 0.785 380 V N -0.576 119.325 119.914 -0.022 0.000 2.358 380 V HA -0.191 3.935 4.120 0.009 0.000 0.246 380 V C 2.359 178.449 176.094 -0.007 0.000 1.047 380 V CA 1.347 63.641 62.300 -0.011 0.000 1.035 380 V CB -1.194 30.633 31.823 0.007 0.000 0.658 380 V HN 0.052 nan 8.190 nan 0.000 0.452 381 L N -0.030 121.185 121.223 -0.013 0.000 2.046 381 L HA -0.115 4.230 4.340 0.009 0.000 0.208 381 L C 2.183 179.050 176.870 -0.005 0.000 1.077 381 L CA 1.853 56.717 54.840 0.039 0.000 0.747 381 L CB -0.448 41.617 42.059 0.010 0.000 0.896 381 L HN 0.203 nan 8.230 nan 0.000 0.432 382 I N -1.314 119.095 120.570 -0.269 0.000 2.163 382 I HA -0.335 3.840 4.170 0.009 0.000 0.243 382 I C 2.684 178.670 176.117 -0.218 0.000 1.085 382 I CA 1.616 62.579 61.300 -0.562 0.000 1.347 382 I CB -0.551 36.931 38.000 -0.863 0.000 1.044 382 I HN 0.358 nan 8.210 nan 0.000 0.408 383 S N 0.538 116.161 115.700 -0.129 0.000 2.383 383 S HA -0.186 4.289 4.470 0.009 0.000 0.229 383 S C 2.154 176.737 174.600 -0.029 0.000 1.030 383 S CA 1.409 59.572 58.200 -0.062 0.000 1.002 383 S CB -0.199 62.975 63.200 -0.044 0.000 0.829 383 S HN 0.470 nan 8.310 nan 0.000 0.467 384 A N -0.122 122.711 122.820 0.021 0.000 1.930 384 A HA 0.013 4.338 4.320 0.009 0.000 0.217 384 A C 1.971 179.547 177.584 -0.015 0.000 1.175 384 A CA 1.414 53.490 52.037 0.065 0.000 0.627 384 A CB -1.111 18.006 19.000 0.195 0.000 0.815 384 A HN 0.753 nan 8.150 nan 0.000 0.443 385 Y N 1.466 121.609 120.300 -0.262 0.000 2.114 385 Y HA -0.252 4.303 4.550 0.010 0.000 0.284 385 Y C 2.262 178.060 175.900 -0.170 0.000 1.143 385 Y CA 2.224 60.049 58.100 -0.457 0.000 1.135 385 Y CB -0.244 38.019 38.460 -0.329 0.000 0.980 385 Y HN 0.315 nan 8.280 nan 0.000 0.499 386 N N 0.481 119.189 118.700 0.013 0.000 2.149 386 N HA -0.185 4.560 4.740 0.009 0.000 0.188 386 N C 1.715 177.122 175.510 -0.172 0.000 1.019 386 N CA 1.533 54.557 53.050 -0.043 0.000 0.857 386 N CB -0.319 38.181 38.487 0.021 0.000 0.997 386 N HN 0.527 nan 8.380 nan 0.000 0.426 387 E N 1.024 121.107 120.200 -0.195 0.000 2.051 387 E HA -0.097 4.258 4.350 0.009 0.000 0.192 387 E C 2.049 178.411 176.600 -0.397 0.000 0.991 387 E CA 0.656 56.851 56.400 -0.342 0.000 0.799 387 E CB -0.100 29.430 29.700 -0.285 0.000 0.748 387 E HN 0.364 nan 8.360 nan 0.000 0.449 388 R N -0.133 120.247 120.500 -0.201 0.000 2.091 388 R HA -0.109 4.236 4.340 0.009 0.000 0.238 388 R C 2.395 178.666 176.300 -0.049 0.000 1.136 388 R CA 1.472 57.552 56.100 -0.034 0.000 0.959 388 R CB -0.158 30.128 30.300 -0.024 0.000 0.856 388 R HN 0.165 nan 8.270 nan 0.000 0.437 389 M N -0.231 119.230 119.600 -0.232 0.000 2.132 389 M HA -0.035 4.450 4.480 0.009 0.000 0.263 389 M C 2.456 178.677 176.300 -0.132 0.000 1.065 389 M CA 1.412 56.589 55.300 -0.204 0.000 1.122 389 M CB -1.068 31.358 32.600 -0.290 0.000 1.365 389 M HN 0.170 nan 8.290 nan 0.000 0.411 390 A N -0.322 122.412 122.820 -0.143 0.000 1.883 390 A HA -0.213 4.112 4.320 0.009 0.000 0.217 390 A C 1.975 179.570 177.584 0.018 0.000 1.186 390 A CA 1.942 53.919 52.037 -0.099 0.000 0.624 390 A CB -1.349 17.556 19.000 -0.159 0.000 0.822 390 A HN 0.612 nan 8.150 nan 0.000 0.444 391 H N -1.675 117.422 119.070 0.045 0.000 2.387 391 H HA -0.093 4.468 4.556 0.009 0.000 0.299 391 H C 2.177 177.620 175.328 0.192 0.000 1.090 391 H CA 1.359 57.520 56.048 0.189 0.000 1.332 391 H CB -0.141 29.750 29.762 0.214 0.000 1.386 391 H HN 0.556 nan 8.280 nan 0.000 0.516 392 M N 0.617 120.383 119.600 0.277 0.000 2.080 392 M HA -0.179 4.306 4.480 0.009 0.000 0.260 392 M C 1.782 178.183 176.300 0.168 0.000 1.068 392 M CA 1.589 57.037 55.300 0.246 0.000 1.109 392 M CB 0.063 32.753 32.600 0.149 0.000 1.342 392 M HN 0.127 nan 8.290 nan 0.000 0.405 393 V N 0.366 120.254 119.914 -0.043 0.000 2.446 393 V HA -0.194 3.931 4.120 0.009 0.000 0.244 393 V C 1.753 177.865 176.094 0.030 0.000 1.039 393 V CA 1.748 63.996 62.300 -0.087 0.000 1.045 393 V CB -0.869 30.818 31.823 -0.226 0.000 0.681 393 V HN 0.410 nan 8.190 nan 0.000 0.459 394 D N 1.089 121.471 120.400 -0.031 0.000 2.149 394 D HA -0.126 4.519 4.640 0.009 0.000 0.198 394 D C 2.196 178.217 176.300 -0.465 0.000 0.990 394 D CA 1.631 55.521 54.000 -0.182 0.000 0.839 394 D CB -0.550 40.228 40.800 -0.036 0.000 0.948 394 D HN 0.453 nan 8.370 nan 0.000 0.460 395 G N 0.402 108.773 108.800 -0.716 0.000 2.418 395 G HA2 -0.198 3.768 3.960 0.009 0.000 0.217 395 G HA3 -0.198 3.768 3.960 0.009 0.000 0.217 395 G C 1.837 176.554 174.900 -0.305 0.000 1.158 395 G CA 0.717 45.114 45.100 -1.173 0.000 0.771 395 G HN 0.253 nan 8.290 nan 0.000 0.545 396 V N 0.948 120.900 119.914 0.064 0.000 2.379 396 V HA -0.120 4.006 4.120 0.009 0.000 0.245 396 V C 2.650 178.792 176.094 0.080 0.000 1.044 396 V CA 2.132 64.579 62.300 0.245 0.000 1.036 396 V CB -0.358 31.754 31.823 0.482 0.000 0.664 396 V HN 0.470 nan 8.190 nan 0.000 0.453 397 K N 0.421 120.819 120.400 -0.003 0.000 2.044 397 K HA -0.309 4.017 4.320 0.009 0.000 0.210 397 K C 2.205 178.731 176.600 -0.124 0.000 1.049 397 K CA 2.407 58.619 56.287 -0.125 0.000 0.927 397 K CB -0.218 32.007 32.500 -0.458 0.000 0.713 397 K HN 0.571 nan 8.250 nan 0.000 0.443 398 E N -0.606 119.525 120.200 -0.114 0.000 2.072 398 E HA -0.195 4.161 4.350 0.009 0.000 0.191 398 E C 1.902 178.518 176.600 0.027 0.000 0.985 398 E CA 0.970 57.370 56.400 -0.002 0.000 0.801 398 E CB -0.189 29.564 29.700 0.088 0.000 0.750 398 E HN 0.366 nan 8.360 nan 0.000 0.452 399 F N 1.311 121.071 119.950 -0.317 0.000 2.171 399 F HA -0.133 4.398 4.527 0.008 0.000 0.300 399 F C 1.747 177.317 175.800 -0.383 0.000 1.090 399 F CA 1.188 58.746 58.000 -0.737 0.000 1.293 399 F CB -0.199 38.237 39.000 -0.940 0.000 1.013 399 F HN 0.019 nan 8.300 nan 0.000 0.486 400 L N -1.117 119.892 121.223 -0.356 0.000 2.109 400 L HA -0.156 4.190 4.340 0.009 0.000 0.207 400 L C 2.353 179.159 176.870 -0.108 0.000 1.086 400 L CA 0.799 55.373 54.840 -0.444 0.000 0.760 400 L CB -0.878 41.021 42.059 -0.267 0.000 0.910 400 L HN -0.075 nan 8.230 nan 0.000 0.437 401 V N 0.183 120.094 119.914 -0.005 0.000 2.407 401 V HA -0.284 3.841 4.120 0.009 0.000 0.248 401 V C 2.441 178.582 176.094 0.078 0.000 1.055 401 V CA 1.392 63.752 62.300 0.100 0.000 1.049 401 V CB -0.477 31.369 31.823 0.039 0.000 0.662 401 V HN 0.326 nan 8.190 nan 0.000 0.455 402 L N -0.024 121.184 121.223 -0.025 0.000 2.127 402 L HA -0.182 4.163 4.340 0.009 0.000 0.211 402 L C 2.298 179.049 176.870 -0.198 0.000 1.089 402 L CA 2.035 56.821 54.840 -0.091 0.000 0.757 402 L CB -0.930 41.040 42.059 -0.148 0.000 0.899 402 L HN 0.398 nan 8.230 nan 0.000 0.434 403 H N -1.998 116.786 119.070 -0.476 0.000 2.321 403 H HA -0.150 4.410 4.556 0.008 0.000 0.300 403 H C 1.873 176.997 175.328 -0.340 0.000 1.087 403 H CA 2.444 58.113 56.048 -0.631 0.000 1.319 403 H CB -0.608 28.582 29.762 -0.953 0.000 1.379 403 H HN 0.385 nan 8.280 nan 0.000 0.501 404 Y N 0.597 120.984 120.300 0.146 0.000 2.373 404 Y HA -0.088 4.466 4.550 0.006 0.000 0.293 404 Y C 2.095 178.103 175.900 0.181 0.000 1.129 404 Y CA 0.716 58.980 58.100 0.273 0.000 1.226 404 Y CB 0.149 38.717 38.460 0.180 0.000 1.000 404 Y HN 0.013 nan 8.280 nan 0.000 0.549 405 K N -0.587 119.928 120.400 0.191 0.000 2.228 405 K HA 0.069 4.395 4.320 0.009 0.000 0.202 405 K C 2.198 178.833 176.600 0.059 0.000 1.051 405 K CA 0.968 57.323 56.287 0.112 0.000 0.960 405 K CB -0.665 31.873 32.500 0.063 0.000 0.743 405 K HN 0.382 nan 8.250 nan 0.000 0.458 406 G N 0.918 109.714 108.800 -0.008 0.000 2.551 406 G HA2 0.024 3.989 3.960 0.009 0.000 0.216 406 G HA3 0.024 3.989 3.960 0.009 0.000 0.216 406 G C 0.483 175.376 174.900 -0.011 0.000 1.137 406 G CA 0.342 45.401 45.100 -0.070 0.000 0.798 406 G HN 0.296 nan 8.290 nan 0.000 0.536 407 A N 0.383 123.262 122.820 0.098 0.000 2.522 407 A HA 0.348 4.673 4.320 0.009 0.000 0.256 407 A C 1.104 178.755 177.584 0.112 0.000 1.086 407 A CA 0.085 52.231 52.037 0.182 0.000 0.763 407 A CB 0.215 19.470 19.000 0.425 0.000 1.024 407 A HN 0.441 nan 8.150 nan 0.000 0.502 408 Q N 1.028 120.854 119.800 0.042 0.000 2.424 408 Q HA -0.022 4.323 4.340 0.009 0.000 0.204 408 Q C 0.880 176.878 176.000 -0.003 0.000 0.933 408 Q CA 0.168 55.985 55.803 0.024 0.000 0.929 408 Q CB 0.066 28.807 28.738 0.006 0.000 1.037 408 Q HN 0.891 nan 8.270 nan 0.000 0.511 409 R N 1.046 121.491 120.500 -0.093 0.000 2.623 409 R HA 0.014 4.359 4.340 0.009 0.000 0.271 409 R C -0.260 176.022 176.300 -0.030 0.000 1.043 409 R CA 0.619 56.619 56.100 -0.166 0.000 1.083 409 R CB 0.372 30.404 30.300 -0.448 0.000 0.974 409 R HN -0.013 nan 8.270 nan 0.000 0.436 410 E N 1.226 121.442 120.200 0.028 0.000 3.521 410 E HA -0.006 4.349 4.350 0.009 0.000 0.183 410 E C -0.634 176.046 176.600 0.132 0.000 0.981 410 E CA -0.132 56.346 56.400 0.131 0.000 1.349 410 E CB 0.606 30.362 29.700 0.093 0.000 1.102 410 E HN 0.810 nan 8.360 nan 0.000 0.449 411 D N -0.157 120.322 120.400 0.131 0.000 2.367 411 D HA -0.050 4.596 4.640 0.009 0.000 0.207 411 D C 0.838 177.236 176.300 0.164 0.000 1.034 411 D CA 0.371 54.437 54.000 0.110 0.000 0.861 411 D CB 0.331 41.160 40.800 0.047 0.000 0.943 411 D HN 0.105 nan 8.370 nan 0.000 0.515 412 T N -4.028 110.684 114.554 0.263 0.000 2.901 412 T HA 0.427 4.782 4.350 0.009 0.000 0.293 412 T C -2.337 172.474 174.700 0.185 0.000 1.084 412 T CA -1.763 60.476 62.100 0.232 0.000 1.008 412 T CB 2.378 71.412 68.868 0.275 0.000 1.170 412 T HN -0.436 nan 8.240 nan 0.000 0.509 413 P HA -0.167 nan 4.420 nan 0.000 0.218 413 P C 1.044 178.275 177.300 -0.114 0.000 1.154 413 P CA 1.212 64.408 63.100 0.161 0.000 0.872 413 P CB -0.191 31.715 31.700 0.344 0.000 0.790 414 Y N -1.540 118.424 120.300 -0.560 0.000 2.097 414 Y HA -0.217 4.340 4.550 0.013 0.000 0.282 414 Y C 2.107 177.572 175.900 -0.726 0.000 1.152 414 Y CA 1.686 59.062 58.100 -1.208 0.000 1.136 414 Y CB -0.928 36.927 38.460 -1.008 0.000 0.975 414 Y HN -0.065 nan 8.280 nan 0.000 0.498 415 W N 0.595 121.872 121.300 -0.038 0.000 2.436 415 W HA -0.031 4.631 4.660 0.004 0.000 0.284 415 W C 2.363 178.849 176.519 -0.055 0.000 1.225 415 W CA 1.007 58.349 57.345 -0.004 0.000 1.271 415 W CB -0.172 29.351 29.460 0.105 0.000 1.114 415 W HN -0.127 nan 8.180 nan 0.000 0.559 416 K N 0.232 120.712 120.400 0.135 0.000 2.063 416 K HA -0.181 4.144 4.320 0.009 0.000 0.208 416 K C 2.222 178.825 176.600 0.004 0.000 1.048 416 K CA 1.648 57.981 56.287 0.077 0.000 0.928 416 K CB -0.539 32.010 32.500 0.081 0.000 0.713 416 K HN 0.136 nan 8.250 nan 0.000 0.442 417 A N 1.222 123.979 122.820 -0.105 0.000 1.968 417 A HA -0.009 4.316 4.320 0.009 0.000 0.217 417 A C 2.322 179.807 177.584 -0.165 0.000 1.169 417 A CA 1.470 53.441 52.037 -0.109 0.000 0.638 417 A CB -0.499 18.450 19.000 -0.084 0.000 0.812 417 A HN 0.321 nan 8.150 nan 0.000 0.446 418 A N -0.046 122.604 122.820 -0.285 0.000 1.940 418 A HA -0.188 4.137 4.320 0.009 0.000 0.219 418 A C 2.117 179.698 177.584 -0.006 0.000 1.176 418 A CA 1.929 53.843 52.037 -0.205 0.000 0.631 418 A CB -0.435 18.452 19.000 -0.189 0.000 0.814 418 A HN 0.515 nan 8.150 nan 0.000 0.446 419 K N -0.572 119.855 120.400 0.044 0.000 2.147 419 K HA -0.136 4.190 4.320 0.009 0.000 0.205 419 K C 1.686 178.311 176.600 0.041 0.000 1.049 419 K CA 1.818 58.149 56.287 0.073 0.000 0.936 419 K CB -0.123 32.428 32.500 0.085 0.000 0.722 419 K HN 0.666 nan 8.250 nan 0.000 0.446 420 T N -2.468 112.098 114.554 0.020 0.000 3.023 420 T HA 0.146 4.501 4.350 0.009 0.000 0.253 420 T C 0.727 175.431 174.700 0.008 0.000 1.038 420 T CA -0.485 61.626 62.100 0.018 0.000 0.962 420 T CB 0.118 68.999 68.868 0.022 0.000 1.018 420 T HN 0.077 nan 8.240 nan 0.000 0.521 421 R N 1.637 122.131 120.500 -0.010 0.000 2.698 421 R HA 0.469 4.815 4.340 0.009 0.000 0.266 421 R C 0.480 176.778 176.300 -0.004 0.000 1.026 421 R CA 0.125 56.214 56.100 -0.018 0.000 1.102 421 R CB 0.038 30.303 30.300 -0.058 0.000 0.978 421 R HN 0.403 nan 8.270 nan 0.000 0.436 422 A N 4.445 127.264 122.820 -0.001 0.000 2.507 422 A HA 0.153 4.478 4.320 0.009 0.000 0.235 422 A C -0.043 177.542 177.584 0.001 0.000 1.070 422 A CA 0.423 52.462 52.037 0.004 0.000 0.768 422 A CB 0.292 19.296 19.000 0.006 0.000 1.011 422 A HN 0.744 nan 8.150 nan 0.000 0.502 423 M N 1.265 120.869 119.600 0.006 0.000 2.598 423 M HA 0.391 4.876 4.480 0.009 0.000 0.317 423 M C -2.314 173.985 176.300 -0.001 0.000 1.179 423 M CA -1.751 53.553 55.300 0.006 0.000 0.936 423 M CB 1.708 34.320 32.600 0.020 0.000 1.713 423 M HN 0.431 nan 8.290 nan 0.000 0.460 424 P HA 0.053 nan 4.420 nan 0.000 0.270 424 P C -1.208 176.100 177.300 0.013 0.000 1.223 424 P CA -0.179 62.909 63.100 -0.020 0.000 0.785 424 P CB 0.290 31.959 31.700 -0.051 0.000 0.923 425 D N 0.742 121.154 120.400 0.019 0.000 2.488 425 D HA 0.208 4.853 4.640 0.009 0.000 0.238 425 D C 1.454 177.783 176.300 0.049 0.000 1.138 425 D CA 1.612 55.631 54.000 0.031 0.000 0.873 425 D CB 0.501 41.321 40.800 0.034 0.000 1.183 425 D HN 0.702 nan 8.370 nan 0.000 0.458 426 G N 1.420 110.243 108.800 0.039 0.000 2.284 426 G HA2 -0.300 3.665 3.960 0.009 0.000 0.216 426 G HA3 -0.300 3.665 3.960 0.009 0.000 0.216 426 G C 0.933 175.860 174.900 0.046 0.000 1.009 426 G CA 0.200 45.324 45.100 0.039 0.000 0.625 426 G HN 0.477 nan 8.290 nan 0.000 0.501 427 L N 1.785 123.047 121.223 0.064 0.000 2.109 427 L HA 0.576 4.921 4.340 0.009 0.000 0.207 427 L C 3.080 179.980 176.870 0.051 0.000 1.086 427 L CA 2.869 57.758 54.840 0.082 0.000 0.760 427 L CB -0.857 41.255 42.059 0.089 0.000 0.910 427 L HN 0.707 nan 8.230 nan 0.000 0.437 428 A N -0.147 122.693 122.820 0.033 0.000 1.873 428 A HA -0.314 4.011 4.320 0.009 0.000 0.218 428 A C 2.441 180.031 177.584 0.011 0.000 1.193 428 A CA 2.088 54.138 52.037 0.021 0.000 0.629 428 A CB -0.686 18.324 19.000 0.016 0.000 0.826 428 A HN 0.461 nan 8.150 nan 0.000 0.447 429 R N 0.286 120.790 120.500 0.006 0.000 2.103 429 R HA -0.142 4.204 4.340 0.009 0.000 0.242 429 R C 1.973 178.260 176.300 -0.020 0.000 1.142 429 R CA 2.333 58.428 56.100 -0.008 0.000 0.960 429 R CB -0.493 29.798 30.300 -0.014 0.000 0.858 429 R HN 0.593 nan 8.270 nan 0.000 0.439 430 K N -0.089 120.305 120.400 -0.010 0.000 2.097 430 K HA -0.075 4.250 4.320 0.009 0.000 0.206 430 K C 2.051 178.643 176.600 -0.014 0.000 1.049 430 K CA 1.576 57.853 56.287 -0.017 0.000 0.933 430 K CB -0.163 32.358 32.500 0.035 0.000 0.717 430 K HN 0.217 nan 8.250 nan 0.000 0.442 431 L N 0.877 122.103 121.223 0.006 0.000 2.056 431 L HA -0.163 4.182 4.340 0.009 0.000 0.207 431 L C 2.114 178.969 176.870 -0.025 0.000 1.078 431 L CA 1.298 56.135 54.840 -0.006 0.000 0.749 431 L CB -0.485 41.579 42.059 0.008 0.000 0.901 431 L HN 0.198 nan 8.230 nan 0.000 0.433 432 E N 0.581 120.769 120.200 -0.021 0.000 2.085 432 E HA -0.230 4.125 4.350 0.009 0.000 0.194 432 E C 2.320 178.893 176.600 -0.045 0.000 0.994 432 E CA 1.144 57.531 56.400 -0.021 0.000 0.801 432 E CB -0.255 29.439 29.700 -0.009 0.000 0.743 432 E HN 0.401 nan 8.360 nan 0.000 0.453 433 L N 0.817 121.991 121.223 -0.081 0.000 2.012 433 L HA -0.206 4.139 4.340 0.009 0.000 0.210 433 L C 2.520 179.217 176.870 -0.289 0.000 1.073 433 L CA 1.142 55.867 54.840 -0.192 0.000 0.748 433 L CB -0.329 41.591 42.059 -0.231 0.000 0.891 433 L HN 0.068 nan 8.230 nan 0.000 0.431 434 S N -0.380 115.206 115.700 -0.191 0.000 2.419 434 S HA -0.117 4.358 4.470 0.009 0.000 0.233 434 S C 1.996 176.533 174.600 -0.106 0.000 1.016 434 S CA 1.026 59.132 58.200 -0.157 0.000 0.974 434 S CB -0.211 62.935 63.200 -0.090 0.000 0.786 434 S HN 0.495 nan 8.310 nan 0.000 0.492 435 A N 0.410 123.186 122.820 -0.073 0.000 2.119 435 A HA 0.083 4.408 4.320 0.009 0.000 0.216 435 A C 2.135 179.708 177.584 -0.018 0.000 1.152 435 A CA 1.382 53.395 52.037 -0.040 0.000 0.708 435 A CB -0.375 18.610 19.000 -0.025 0.000 0.805 435 A HN 0.463 nan 8.150 nan 0.000 0.460 436 S N -0.981 114.712 115.700 -0.011 0.000 2.452 436 S HA 0.136 4.611 4.470 0.009 0.000 0.225 436 S C 0.707 175.404 174.600 0.160 0.000 1.057 436 S CA 0.729 58.984 58.200 0.092 0.000 0.949 436 S CB -0.083 63.236 63.200 0.200 0.000 0.836 436 S HN 0.820 nan 8.310 nan 0.000 0.518 437 H N -1.230 117.827 119.070 -0.021 0.000 2.932 437 H HA 0.390 4.951 4.556 0.008 0.000 0.307 437 H C -1.266 174.053 175.328 -0.016 0.000 1.391 437 H CA -0.974 55.063 56.048 -0.019 0.000 1.130 437 H CB -0.064 29.691 29.762 -0.012 0.000 1.836 437 H HN 0.206 nan 8.280 nan 0.000 0.522 438 L N 1.559 122.795 121.223 0.023 0.000 2.426 438 L HA 0.191 4.536 4.340 0.009 0.000 0.271 438 L C 0.721 177.546 176.870 -0.075 0.000 1.169 438 L CA -0.590 54.228 54.840 -0.036 0.000 0.836 438 L CB 0.391 42.468 42.059 0.030 0.000 1.112 438 L HN 0.295 nan 8.230 nan 0.000 0.465 439 L N 2.275 123.445 121.223 -0.087 0.000 2.467 439 L HA 0.100 4.446 4.340 0.009 0.000 0.270 439 L C -0.097 176.753 176.870 -0.034 0.000 1.205 439 L CA 0.134 54.920 54.840 -0.089 0.000 0.828 439 L CB 0.687 42.699 42.059 -0.079 0.000 1.101 439 L HN 0.742 nan 8.230 nan 0.000 0.479 440 D N -0.871 119.492 120.400 -0.061 0.000 2.798 440 D HA 0.183 4.828 4.640 0.009 0.000 0.308 440 D C 0.317 176.564 176.300 -0.089 0.000 1.187 440 D CA -0.628 53.350 54.000 -0.036 0.000 1.033 440 D CB 0.503 41.303 40.800 -0.001 0.000 1.445 440 D HN 0.292 nan 8.370 nan 0.000 0.550 441 E N -0.906 119.259 120.200 -0.058 0.000 2.160 441 E HA -0.152 4.203 4.350 0.009 0.000 0.195 441 E C 1.582 178.111 176.600 -0.118 0.000 0.991 441 E CA 1.475 57.830 56.400 -0.074 0.000 0.810 441 E CB -0.103 29.576 29.700 -0.035 0.000 0.742 441 E HN 0.323 nan 8.360 nan 0.000 0.466 442 Q N -0.825 118.910 119.800 -0.108 0.000 2.389 442 Q HA 0.047 4.392 4.340 0.009 0.000 0.204 442 Q C 1.516 177.422 176.000 -0.158 0.000 0.944 442 Q CA 1.477 57.206 55.803 -0.124 0.000 0.908 442 Q CB 0.361 29.047 28.738 -0.086 0.000 1.002 442 Q HN 0.505 nan 8.270 nan 0.000 0.493 443 T N -3.240 111.207 114.554 -0.178 0.000 3.003 443 T HA 0.278 4.634 4.350 0.009 0.000 0.261 443 T C 1.155 175.656 174.700 -0.333 0.000 1.003 443 T CA -0.359 61.619 62.100 -0.204 0.000 0.917 443 T CB -0.192 68.592 68.868 -0.139 0.000 1.084 443 T HN 0.205 nan 8.240 nan 0.000 0.522 444 I N -1.204 119.089 120.570 -0.462 0.000 3.322 444 I HA 0.510 4.685 4.170 0.009 0.000 0.296 444 I C 0.525 176.261 176.117 -0.636 0.000 1.101 444 I CA -1.553 59.220 61.300 -0.879 0.000 1.166 444 I CB 0.225 37.492 38.000 -1.222 0.000 1.475 444 I HN -0.021 nan 8.210 nan 0.000 0.665 445 Y N 3.944 123.726 120.300 -0.863 0.000 2.802 445 Y HA 0.101 4.655 4.550 0.007 0.000 0.333 445 Y C -1.626 174.106 175.900 -0.280 0.000 1.244 445 Y CA -1.246 56.581 58.100 -0.456 0.000 1.558 445 Y CB 0.373 38.554 38.460 -0.466 0.000 1.233 445 Y HN 0.421 nan 8.280 nan 0.000 0.547 446 P HA -0.064 nan 4.420 nan 0.000 0.236 446 P C -0.848 176.090 177.300 -0.603 0.000 1.177 446 P CA 1.012 63.746 63.100 -0.610 0.000 0.773 446 P CB 0.266 31.503 31.700 -0.772 0.000 0.878 447 Y N -1.309 118.790 120.300 -0.336 0.000 2.488 447 Y HA 0.342 4.896 4.550 0.008 0.000 0.325 447 Y C 0.726 176.877 175.900 0.418 0.000 1.204 447 Y CA -1.325 56.770 58.100 -0.008 0.000 1.229 447 Y CB -0.008 38.270 38.460 -0.303 0.000 1.274 447 Y HN -0.224 nan 8.280 nan 0.000 0.493 448 Y N 4.049 124.631 120.300 0.470 0.000 2.632 448 Y HA 0.046 4.602 4.550 0.010 0.000 0.329 448 Y C 0.783 176.970 175.900 0.478 0.000 1.174 448 Y CA 0.147 58.475 58.100 0.380 0.000 1.469 448 Y CB 0.017 38.627 38.460 0.250 0.000 1.242 448 Y HN 0.631 nan 8.280 nan 0.000 0.540 449 H N 3.867 122.702 119.070 -0.391 0.000 3.043 449 H HA 0.294 4.856 4.556 0.010 0.000 0.244 449 H C 1.091 176.159 175.328 -0.434 0.000 1.199 449 H CA 0.007 55.971 56.048 -0.141 0.000 0.956 449 H CB -0.009 29.821 29.762 0.113 0.000 2.305 449 H HN 0.867 nan 8.280 nan 0.000 0.665 450 G N 1.285 109.292 108.800 -1.321 0.000 2.708 450 G HA2 -0.337 3.628 3.960 0.009 0.000 0.229 450 G HA3 -0.337 3.628 3.960 0.009 0.000 0.229 450 G C -0.031 174.301 174.900 -0.947 0.000 1.236 450 G CA 0.438 44.741 45.100 -1.329 0.000 0.749 450 G HN 0.302 nan 8.290 nan 0.000 0.515 451 F N 2.432 121.900 119.950 -0.803 0.000 2.375 451 F HA 0.644 5.177 4.527 0.011 0.000 0.333 451 F C 1.028 176.618 175.800 -0.351 0.000 1.104 451 F CA -0.304 57.409 58.000 -0.478 0.000 1.149 451 F CB 0.942 39.566 39.000 -0.625 0.000 1.190 451 F HN 0.211 nan 8.300 nan 0.000 0.533 452 E N 0.032 120.237 120.200 0.009 0.000 2.285 452 E HA 0.254 4.609 4.350 0.009 0.000 0.254 452 E C 0.690 177.346 176.600 0.093 0.000 1.011 452 E CA -0.631 55.795 56.400 0.044 0.000 0.873 452 E CB 1.166 30.932 29.700 0.111 0.000 1.229 452 E HN 0.564 nan 8.360 nan 0.000 0.422 453 T N 0.239 114.863 114.554 0.117 0.000 2.665 453 T HA -0.262 4.093 4.350 0.009 0.000 0.268 453 T C 1.855 176.682 174.700 0.211 0.000 1.035 453 T CA 2.162 64.345 62.100 0.138 0.000 1.151 453 T CB -0.523 68.411 68.868 0.111 0.000 0.862 453 T HN 0.575 nan 8.240 nan 0.000 0.438 454 Y N 1.702 122.157 120.300 0.258 0.000 2.193 454 Y HA -0.118 4.437 4.550 0.009 0.000 0.285 454 Y C 2.447 178.532 175.900 0.310 0.000 1.166 454 Y CA 1.089 59.378 58.100 0.315 0.000 1.181 454 Y CB -1.072 37.608 38.460 0.367 0.000 0.976 454 Y HN 0.060 nan 8.280 nan 0.000 0.520 455 S N 0.115 115.616 115.700 -0.331 0.000 2.356 455 S HA -0.173 4.302 4.470 0.009 0.000 0.223 455 S C 1.517 176.011 174.600 -0.177 0.000 1.032 455 S CA 1.487 59.537 58.200 -0.249 0.000 1.005 455 S CB -0.684 62.426 63.200 -0.150 0.000 0.867 455 S HN 0.700 nan 8.310 nan 0.000 0.449 456 W N 1.772 122.932 121.300 -0.234 0.000 2.335 456 W HA -0.008 4.654 4.660 0.005 0.000 0.311 456 W C 2.078 178.555 176.519 -0.071 0.000 1.213 456 W CA 0.444 57.734 57.345 -0.092 0.000 1.274 456 W CB -0.707 28.687 29.460 -0.110 0.000 1.148 456 W HN 0.242 nan 8.180 nan 0.000 0.498 457 I N -0.652 120.024 120.570 0.178 0.000 2.179 457 I HA -0.306 3.869 4.170 0.009 0.000 0.242 457 I C 2.264 178.346 176.117 -0.058 0.000 1.088 457 I CA 1.644 62.977 61.300 0.055 0.000 1.357 457 I CB -0.987 37.082 38.000 0.115 0.000 1.051 457 I HN -0.079 nan 8.210 nan 0.000 0.409 458 T N 0.743 115.354 114.554 0.096 0.000 2.746 458 T HA -0.156 4.200 4.350 0.009 0.000 0.267 458 T C 1.934 176.566 174.700 -0.114 0.000 1.039 458 T CA 1.253 63.483 62.100 0.216 0.000 1.142 458 T CB -0.082 69.052 68.868 0.444 0.000 0.866 458 T HN 0.126 nan 8.240 nan 0.000 0.444 459 M N 1.624 121.051 119.600 -0.288 0.000 2.086 459 M HA -0.023 4.462 4.480 0.009 0.000 0.261 459 M C 2.105 178.094 176.300 -0.519 0.000 1.067 459 M CA 1.227 56.210 55.300 -0.528 0.000 1.116 459 M CB -1.527 30.575 32.600 -0.829 0.000 1.348 459 M HN 0.150 nan 8.290 nan 0.000 0.407 460 N N 0.702 119.191 118.700 -0.352 0.000 2.043 460 N HA -0.097 4.648 4.740 0.009 0.000 0.193 460 N C 1.906 177.205 175.510 -0.351 0.000 1.037 460 N CA 1.278 54.151 53.050 -0.294 0.000 0.851 460 N CB -0.513 37.873 38.487 -0.169 0.000 1.027 460 N HN 0.351 nan 8.380 nan 0.000 0.422 461 L N -0.177 120.803 121.223 -0.405 0.000 2.093 461 L HA -0.040 4.305 4.340 0.009 0.000 0.208 461 L C 2.396 178.962 176.870 -0.507 0.000 1.085 461 L CA 1.258 55.833 54.840 -0.443 0.000 0.755 461 L CB -0.838 40.770 42.059 -0.750 0.000 0.904 461 L HN 0.223 nan 8.230 nan 0.000 0.435 462 G N 0.083 108.396 108.800 -0.812 0.000 2.402 462 G HA2 -0.170 3.796 3.960 0.009 0.000 0.216 462 G HA3 -0.170 3.796 3.960 0.009 0.000 0.216 462 G C 1.627 175.732 174.900 -1.325 0.000 1.162 462 G CA 0.361 44.467 45.100 -1.658 0.000 0.777 462 G HN 0.210 nan 8.290 nan 0.000 0.539 463 L N -0.129 120.552 121.223 -0.904 0.000 2.217 463 L HA 0.220 4.565 4.340 0.009 0.000 0.211 463 L C 2.056 178.785 176.870 -0.235 0.000 1.107 463 L CA 0.891 55.494 54.840 -0.394 0.000 0.783 463 L CB 0.032 41.883 42.059 -0.348 0.000 0.919 463 L HN 0.446 nan 8.230 nan 0.000 0.442 464 G N -0.064 108.584 108.800 -0.255 0.000 2.151 464 G HA2 -0.156 3.810 3.960 0.009 0.000 0.140 464 G HA3 -0.156 3.810 3.960 0.009 0.000 0.140 464 G C 0.069 174.901 174.900 -0.114 0.000 1.020 464 G CA -0.684 44.329 45.100 -0.145 0.000 0.688 464 G HN 0.150 nan 8.290 nan 0.000 0.500 465 I N 1.685 122.169 120.570 -0.144 0.000 2.281 465 I HA 0.456 4.632 4.170 0.009 0.000 0.293 465 I C -0.024 176.029 176.117 -0.107 0.000 1.085 465 I CA -0.678 60.558 61.300 -0.108 0.000 1.257 465 I CB 1.171 39.106 38.000 -0.109 0.000 1.430 465 I HN -0.132 nan 8.210 nan 0.000 0.489 466 V N 7.773 127.643 119.914 -0.074 0.000 2.638 466 V HA 0.364 4.490 4.120 0.009 0.000 0.306 466 V C -2.224 173.845 176.094 -0.042 0.000 1.052 466 V CA -1.860 60.407 62.300 -0.056 0.000 0.885 466 V CB 2.171 33.977 31.823 -0.028 0.000 0.999 466 V HN 0.517 nan 8.190 nan 0.000 0.424 467 P HA 0.066 nan 4.420 nan 0.000 0.265 467 P C 0.873 178.159 177.300 -0.022 0.000 1.187 467 P CA 0.269 63.357 63.100 -0.020 0.000 0.766 467 P CB 0.768 32.468 31.700 0.000 0.000 0.820 468 E N 2.119 122.309 120.200 -0.017 0.000 2.097 468 E HA -0.196 4.159 4.350 0.009 0.000 0.196 468 E C 0.296 176.877 176.600 -0.032 0.000 1.000 468 E CA 1.313 57.700 56.400 -0.022 0.000 0.804 468 E CB 0.227 29.919 29.700 -0.014 0.000 0.740 468 E HN 0.361 nan 8.360 nan 0.000 0.454 469 R N -0.562 119.920 120.500 -0.029 0.000 2.867 469 R HA 0.359 4.704 4.340 0.009 0.000 0.268 469 R C -2.587 173.685 176.300 -0.048 0.000 1.014 469 R CA -2.035 54.038 56.100 -0.044 0.000 0.946 469 R CB 1.630 31.906 30.300 -0.041 0.000 1.208 469 R HN -0.063 nan 8.270 nan 0.000 0.477 470 P HA 0.027 nan 4.420 nan 0.000 0.271 470 P C -0.957 176.288 177.300 -0.091 0.000 1.244 470 P CA -0.340 62.708 63.100 -0.087 0.000 0.793 470 P CB 0.492 32.126 31.700 -0.110 0.000 0.984 471 R N 2.135 122.557 120.500 -0.130 0.000 2.370 471 R HA 0.071 4.417 4.340 0.009 0.000 0.309 471 R C -1.511 174.691 176.300 -0.163 0.000 1.059 471 R CA -1.079 54.939 56.100 -0.137 0.000 0.981 471 R CB -0.128 30.074 30.300 -0.163 0.000 0.972 471 R HN 0.360 nan 8.270 nan 0.000 0.437 472 P HA -0.161 nan 4.420 nan 0.000 0.218 472 P C 0.672 177.977 177.300 0.008 0.000 1.148 472 P CA 1.341 64.417 63.100 -0.041 0.000 0.822 472 P CB 0.179 31.877 31.700 -0.003 0.000 0.784 473 A N -0.228 122.568 122.820 -0.040 0.000 1.948 473 A HA -0.205 4.120 4.320 0.009 0.000 0.220 473 A C 2.135 179.651 177.584 -0.113 0.000 1.177 473 A CA 1.524 53.548 52.037 -0.023 0.000 0.636 473 A CB -1.699 17.278 19.000 -0.038 0.000 0.815 473 A HN 0.157 nan 8.150 nan 0.000 0.449 474 L N -0.530 120.472 121.223 -0.368 0.000 2.191 474 L HA -0.173 4.172 4.340 0.009 0.000 0.212 474 L C 2.263 179.065 176.870 -0.113 0.000 1.103 474 L CA 0.750 55.345 54.840 -0.409 0.000 0.769 474 L CB -0.597 41.073 42.059 -0.650 0.000 0.908 474 L HN 0.402 nan 8.230 nan 0.000 0.438 475 L N -0.993 120.171 121.223 -0.097 0.000 2.275 475 L HA -0.165 4.180 4.340 0.009 0.000 0.215 475 L C 2.102 178.876 176.870 -0.161 0.000 1.119 475 L CA 0.855 55.619 54.840 -0.126 0.000 0.790 475 L CB -0.771 41.169 42.059 -0.198 0.000 0.919 475 L HN 0.435 nan 8.230 nan 0.000 0.443 476 H N -0.848 118.205 119.070 -0.027 0.000 2.539 476 H HA 0.259 4.820 4.556 0.008 0.000 0.267 476 H C 0.467 175.815 175.328 0.033 0.000 0.982 476 H CA 0.231 56.279 56.048 0.001 0.000 1.146 476 H CB 0.317 30.077 29.762 -0.003 0.000 1.382 476 H HN 0.321 nan 8.280 nan 0.000 0.577 477 M N 0.317 120.004 119.600 0.145 0.000 2.602 477 M HA 0.142 4.627 4.480 0.009 0.000 0.312 477 M C -0.402 176.005 176.300 0.178 0.000 1.181 477 M CA -1.038 54.373 55.300 0.185 0.000 0.910 477 M CB 2.279 35.031 32.600 0.254 0.000 1.723 477 M HN -0.178 nan 8.290 nan 0.000 0.459 478 D N 3.163 123.651 120.400 0.146 0.000 2.401 478 D HA 0.121 4.766 4.640 0.009 0.000 0.254 478 D C -1.583 174.744 176.300 0.044 0.000 1.192 478 D CA -1.327 52.721 54.000 0.079 0.000 0.885 478 D CB 0.966 41.792 40.800 0.043 0.000 1.147 478 D HN 0.254 nan 8.370 nan 0.000 0.478 479 P HA 0.067 nan 4.420 nan 0.000 0.245 479 P C 0.898 178.085 177.300 -0.188 0.000 1.206 479 P CA 0.160 63.214 63.100 -0.077 0.000 0.781 479 P CB 0.291 32.017 31.700 0.044 0.000 0.994 480 A N 1.735 124.485 122.820 -0.116 0.000 1.883 480 A HA -0.109 4.217 4.320 0.009 0.000 0.217 480 A C 0.005 177.494 177.584 -0.158 0.000 1.186 480 A CA 1.824 53.799 52.037 -0.103 0.000 0.624 480 A CB -2.152 16.814 19.000 -0.058 0.000 0.822 480 A HN 0.199 nan 8.150 nan 0.000 0.444 481 P HA -0.111 nan 4.420 nan 0.000 0.216 481 P C 1.636 178.724 177.300 -0.353 0.000 1.150 481 P CA 1.915 64.879 63.100 -0.227 0.000 0.837 481 P CB -0.073 31.508 31.700 -0.198 0.000 0.786 482 A N -0.979 121.479 122.820 -0.603 0.000 1.930 482 A HA -0.070 4.256 4.320 0.009 0.000 0.215 482 A C 2.157 179.540 177.584 -0.333 0.000 1.176 482 A CA 0.999 52.576 52.037 -0.767 0.000 0.632 482 A CB -1.465 16.609 19.000 -1.544 0.000 0.819 482 A HN 0.092 nan 8.150 nan 0.000 0.445 483 L N -0.634 120.516 121.223 -0.122 0.000 2.083 483 L HA -0.179 4.166 4.340 0.009 0.000 0.209 483 L C 2.985 179.883 176.870 0.047 0.000 1.083 483 L CA 1.013 55.913 54.840 0.098 0.000 0.752 483 L CB -0.438 41.646 42.059 0.042 0.000 0.899 483 L HN 0.433 nan 8.230 nan 0.000 0.433 484 A N -0.522 122.266 122.820 -0.053 0.000 2.015 484 A HA -0.200 4.125 4.320 0.009 0.000 0.219 484 A C 2.168 179.716 177.584 -0.061 0.000 1.163 484 A CA 1.552 53.562 52.037 -0.045 0.000 0.646 484 A CB -0.264 18.698 19.000 -0.063 0.000 0.806 484 A HN 0.342 nan 8.150 nan 0.000 0.448 485 E N -0.596 119.517 120.200 -0.145 0.000 2.112 485 E HA -0.013 4.342 4.350 0.009 0.000 0.190 485 E C 1.467 177.976 176.600 -0.151 0.000 0.979 485 E CA 0.945 57.229 56.400 -0.193 0.000 0.814 485 E CB -0.452 29.051 29.700 -0.329 0.000 0.762 485 E HN 0.618 nan 8.360 nan 0.000 0.460 486 F N 1.003 120.931 119.950 -0.038 0.000 2.134 486 F HA -0.144 4.388 4.527 0.008 0.000 0.299 486 F C 2.388 178.184 175.800 -0.007 0.000 1.097 486 F CA 1.160 59.156 58.000 -0.007 0.000 1.264 486 F CB 0.033 39.044 39.000 0.018 0.000 1.001 486 F HN 0.059 nan 8.300 nan 0.000 0.479 487 E N 0.139 120.444 120.200 0.175 0.000 2.077 487 E HA -0.197 4.158 4.350 0.009 0.000 0.193 487 E C 2.307 178.942 176.600 0.058 0.000 0.989 487 E CA 0.855 57.311 56.400 0.093 0.000 0.800 487 E CB -0.397 29.337 29.700 0.058 0.000 0.746 487 E HN 0.389 nan 8.360 nan 0.000 0.452 488 R N 0.345 120.865 120.500 0.033 0.000 2.091 488 R HA -0.098 4.247 4.340 0.009 0.000 0.238 488 R C 2.624 178.945 176.300 0.034 0.000 1.136 488 R CA 0.909 57.021 56.100 0.020 0.000 0.959 488 R CB -0.279 30.018 30.300 -0.004 0.000 0.856 488 R HN 0.139 nan 8.270 nan 0.000 0.437 489 L N -0.191 121.058 121.223 0.043 0.000 2.046 489 L HA -0.188 4.158 4.340 0.009 0.000 0.208 489 L C 2.797 179.703 176.870 0.061 0.000 1.077 489 L CA 1.317 56.192 54.840 0.060 0.000 0.747 489 L CB -0.392 41.707 42.059 0.066 0.000 0.896 489 L HN 0.187 nan 8.230 nan 0.000 0.432 490 R N -0.016 120.525 120.500 0.068 0.000 2.096 490 R HA -0.195 4.150 4.340 0.009 0.000 0.235 490 R C 2.458 178.778 176.300 0.034 0.000 1.127 490 R CA 1.585 57.715 56.100 0.051 0.000 0.968 490 R CB -0.073 30.261 30.300 0.056 0.000 0.861 490 R HN 0.245 nan 8.270 nan 0.000 0.440 491 R N 0.445 120.965 120.500 0.033 0.000 2.075 491 R HA -0.074 4.272 4.340 0.009 0.000 0.226 491 R C 1.824 178.135 176.300 0.019 0.000 1.114 491 R CA 1.414 57.528 56.100 0.022 0.000 0.972 491 R CB 0.070 30.382 30.300 0.021 0.000 0.869 491 R HN 0.258 nan 8.270 nan 0.000 0.437 492 E N -0.741 119.474 120.200 0.027 0.000 2.110 492 E HA -0.139 4.216 4.350 0.009 0.000 0.193 492 E C 1.837 178.443 176.600 0.010 0.000 0.988 492 E CA 1.160 57.576 56.400 0.027 0.000 0.804 492 E CB -0.173 29.558 29.700 0.051 0.000 0.745 492 E HN 0.561 nan 8.360 nan 0.000 0.458 493 G N 1.494 110.300 108.800 0.010 0.000 2.421 493 G HA2 -0.296 3.670 3.960 0.009 0.000 0.216 493 G HA3 -0.296 3.670 3.960 0.009 0.000 0.216 493 G C 1.103 175.988 174.900 -0.025 0.000 1.171 493 G CA 1.090 46.181 45.100 -0.015 0.000 0.775 493 G HN 0.123 nan 8.290 nan 0.000 0.543 494 D N 0.666 121.062 120.400 -0.007 0.000 2.116 494 D HA -0.097 4.549 4.640 0.009 0.000 0.193 494 D C 2.421 178.712 176.300 -0.016 0.000 0.998 494 D CA 1.184 55.180 54.000 -0.007 0.000 0.836 494 D CB -0.272 40.530 40.800 0.003 0.000 0.951 494 D HN 0.478 nan 8.370 nan 0.000 0.449 495 E N -0.316 119.876 120.200 -0.013 0.000 2.152 495 E HA -0.043 4.313 4.350 0.009 0.000 0.192 495 E C 2.300 178.883 176.600 -0.030 0.000 0.983 495 E CA 0.222 56.614 56.400 -0.014 0.000 0.818 495 E CB 0.060 29.757 29.700 -0.004 0.000 0.758 495 E HN 0.256 nan 8.360 nan 0.000 0.467 496 L N 0.839 122.033 121.223 -0.049 0.000 2.072 496 L HA -0.091 4.254 4.340 0.009 0.000 0.205 496 L C 2.573 179.377 176.870 -0.110 0.000 1.079 496 L CA 0.784 55.571 54.840 -0.089 0.000 0.752 496 L CB -0.425 41.545 42.059 -0.147 0.000 0.906 496 L HN 0.258 nan 8.230 nan 0.000 0.436 497 I N -2.838 117.674 120.570 -0.098 0.000 2.676 497 I HA -0.091 4.084 4.170 0.009 0.000 0.259 497 I C 2.445 178.529 176.117 -0.055 0.000 1.194 497 I CA 1.201 62.449 61.300 -0.087 0.000 1.473 497 I CB -0.518 37.441 38.000 -0.069 0.000 1.096 497 I HN 0.045 nan 8.210 nan 0.000 0.443 498 A N 1.234 124.030 122.820 -0.041 0.000 1.970 498 A HA 0.320 4.645 4.320 0.009 0.000 0.216 498 A C 2.433 180.002 177.584 -0.025 0.000 1.170 498 A CA 1.296 53.318 52.037 -0.025 0.000 0.645 498 A CB -0.501 18.489 19.000 -0.016 0.000 0.816 498 A HN 0.567 nan 8.150 nan 0.000 0.447 499 A N -0.995 121.805 122.820 -0.034 0.000 2.063 499 A HA 0.492 4.817 4.320 0.009 0.000 0.211 499 A C 0.862 178.425 177.584 -0.036 0.000 1.177 499 A CA -0.118 51.902 52.037 -0.027 0.000 0.759 499 A CB -0.138 18.849 19.000 -0.023 0.000 0.857 499 A HN 0.368 nan 8.150 nan 0.000 0.468 500 L N 1.907 123.091 121.223 -0.064 0.000 2.395 500 L HA 0.285 4.630 4.340 0.009 0.000 0.269 500 L C -1.959 174.880 176.870 -0.052 0.000 1.133 500 L CA -2.012 52.778 54.840 -0.084 0.000 0.812 500 L CB 0.935 42.898 42.059 -0.160 0.000 1.125 500 L HN 0.177 nan 8.230 nan 0.000 0.452 501 P HA 0.120 nan 4.420 nan 0.000 0.276 501 P C -0.693 176.614 177.300 0.012 0.000 1.261 501 P CA -0.577 62.536 63.100 0.021 0.000 0.800 501 P CB 0.991 32.742 31.700 0.084 0.000 1.066 502 S N -0.521 115.209 115.700 0.051 0.000 2.589 502 S HA -0.004 4.472 4.470 0.009 0.000 0.265 502 S C 1.575 176.240 174.600 0.109 0.000 1.342 502 S CA -0.258 57.979 58.200 0.062 0.000 1.005 502 S CB -0.346 62.905 63.200 0.084 0.000 0.909 502 S HN 0.709 nan 8.310 nan 0.000 0.555 503 C N 1.449 120.818 119.300 0.114 0.000 2.413 503 C HA -0.115 4.350 4.460 0.009 0.000 0.276 503 C C 2.303 177.461 174.990 0.281 0.000 1.236 503 C CA 1.402 60.533 59.018 0.188 0.000 1.735 503 C CB -1.829 26.014 27.740 0.173 0.000 2.031 503 C HN 0.958 nan 8.230 nan 0.000 0.474 504 Y N 1.372 121.758 120.300 0.144 0.000 2.163 504 Y HA -0.102 4.453 4.550 0.009 0.000 0.288 504 Y C 2.425 178.437 175.900 0.186 0.000 1.136 504 Y CA 2.324 60.525 58.100 0.169 0.000 1.147 504 Y CB -0.487 38.007 38.460 0.057 0.000 0.987 504 Y HN 0.460 nan 8.280 nan 0.000 0.509 505 E N -1.083 119.279 120.200 0.270 0.000 2.049 505 E HA -0.342 4.013 4.350 0.009 0.000 0.198 505 E C 1.950 178.607 176.600 0.095 0.000 1.007 505 E CA 1.881 58.383 56.400 0.170 0.000 0.809 505 E CB -0.573 29.215 29.700 0.147 0.000 0.749 505 E HN 0.623 nan 8.360 nan 0.000 0.450 506 Y N 1.124 121.444 120.300 0.034 0.000 2.181 506 Y HA -0.183 4.373 4.550 0.009 0.000 0.288 506 Y C 2.017 177.907 175.900 -0.016 0.000 1.146 506 Y CA 1.327 59.434 58.100 0.011 0.000 1.164 506 Y CB -0.153 38.314 38.460 0.012 0.000 0.982 506 Y HN -0.049 nan 8.280 nan 0.000 0.515 507 L N -0.349 120.888 121.223 0.022 0.000 2.046 507 L HA -0.235 4.110 4.340 0.009 0.000 0.208 507 L C 2.790 179.413 176.870 -0.411 0.000 1.077 507 L CA 1.162 55.879 54.840 -0.205 0.000 0.747 507 L CB -0.976 41.018 42.059 -0.109 0.000 0.896 507 L HN 0.336 nan 8.230 nan 0.000 0.432 508 A N 0.150 122.808 122.820 -0.271 0.000 1.908 508 A HA -0.266 4.059 4.320 0.009 0.000 0.218 508 A C 2.507 179.960 177.584 -0.219 0.000 1.181 508 A CA 2.223 54.145 52.037 -0.193 0.000 0.627 508 A CB -0.851 18.100 19.000 -0.081 0.000 0.818 508 A HN 0.534 nan 8.150 nan 0.000 0.445 509 S N 0.102 115.648 115.700 -0.256 0.000 2.474 509 S HA -0.061 4.415 4.470 0.009 0.000 0.235 509 S C 1.500 175.906 174.600 -0.323 0.000 0.997 509 S CA 1.174 59.219 58.200 -0.259 0.000 0.949 509 S CB -0.725 62.320 63.200 -0.259 0.000 0.766 509 S HN 0.950 nan 8.310 nan 0.000 0.517 510 I N -2.426 117.888 120.570 -0.427 0.000 4.018 510 I HA 0.297 4.473 4.170 0.009 0.000 0.337 510 I C 0.405 176.327 176.117 -0.325 0.000 1.327 510 I CA -0.715 60.360 61.300 -0.375 0.000 1.100 510 I CB -0.012 37.728 38.000 -0.434 0.000 1.025 510 I HN 0.028 nan 8.210 nan 0.000 0.396 511 Q N 0.000 119.594 119.800 -0.344 0.000 2.315 511 Q HA 0.000 4.345 4.340 0.009 0.000 0.214 511 Q CA 0.000 55.608 55.803 -0.325 0.000 1.022 511 Q CB 0.000 28.534 28.738 -0.340 0.000 1.108 511 Q HN 0.000 nan 8.270 nan 0.000 0.481