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 3d8v_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTFPGDTAVL VLAAGPGTRM RSDTPKVLHT LAGRSMLSHV LHAIAKLAPQ DATA SEQUENCE RLIVVLGHDH QRIAPLVGEL ADTLGRTIDV ALQDRPLGTG HAVLCGLSAL DATA SEQUENCE PDDYAGNVVV TSGDTPLLDA DTLADLIATH RAVSAAVTVL TTTLDDPFGY DATA SEQUENCE GRILRTQDHE VMAIVEQTDA TPSQREIREV NAGVYAFDIA ALRSALSRLS DATA SEQUENCE SNNAQQELYL TDVIAILRSD GQTVHASHVD DSALVAGVNN RVQLAELASE DATA SEQUENCE LNRRVVAAHQ LAGVTVVDPA TTWIDVDVTI GRDTVIHPGT QLLGRTQIGG DATA SEQUENCE RCVVGPDTTL TDVAVGDGAS VVRTHGSSSS IGDGAAVGPF TYLRPGTALG DATA SEQUENCE ADGKLGAFVE VKNSTIGTGT KVPHLTYVGD ADIGEYSNIG ASSVFVNYDX DATA SEQUENCE TSKRRTTVGS HVRTGSDTMF VAPVTIGDGA YTGAGTVVRE DVPPGALAVS DATA SEQUENCE AGPQRNIENW VQRKRPGSPA AQASKRASE 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 0.000 176.256 176.300 -0.074 0.000 1.140 1 M CA 0.000 55.218 55.300 -0.137 0.000 0.988 1 M CB 0.000 32.543 32.600 -0.096 0.000 1.302 2 T N 0.291 114.815 114.554 -0.050 0.000 2.844 2 T HA 0.940 5.290 4.350 0.001 0.000 0.274 2 T C -0.788 173.903 174.700 -0.015 0.000 0.991 2 T CA -0.240 61.821 62.100 -0.065 0.000 0.983 2 T CB 0.986 69.854 68.868 0.000 0.000 1.310 2 T HN 0.542 nan 8.240 nan 0.000 0.596 3 F N 1.618 121.580 119.950 0.019 0.000 2.378 3 F HA 0.546 5.074 4.527 0.001 0.000 0.325 3 F C -1.460 174.355 175.800 0.025 0.000 1.097 3 F CA -1.950 56.065 58.000 0.024 0.000 1.079 3 F CB 0.384 39.401 39.000 0.029 0.000 1.240 3 F HN 0.391 nan 8.300 nan 0.000 0.519 4 P HA 0.552 nan 4.420 nan 0.000 0.302 4 P C -0.857 176.482 177.300 0.066 0.000 1.307 4 P CA -0.489 62.686 63.100 0.126 0.000 0.754 4 P CB 0.781 32.536 31.700 0.092 0.000 1.298 5 G N -2.719 106.100 108.800 0.032 0.000 2.690 5 G HA2 0.562 4.522 3.960 0.001 0.000 0.291 5 G HA3 0.562 4.522 3.960 0.001 0.000 0.291 5 G C -1.617 173.275 174.900 -0.013 0.000 1.403 5 G CA -0.323 44.784 45.100 0.011 0.000 0.864 5 G HN 0.555 nan 8.290 nan 0.000 0.480 6 D N -0.323 120.053 120.400 -0.040 0.000 2.317 6 D HA 0.585 5.226 4.640 0.001 0.000 0.252 6 D C 0.041 176.358 176.300 0.029 0.000 1.174 6 D CA -0.020 53.975 54.000 -0.009 0.000 0.866 6 D CB 0.902 41.648 40.800 -0.091 0.000 1.127 6 D HN 0.419 nan 8.370 nan 0.000 0.467 7 T N 0.468 115.035 114.554 0.020 0.000 2.792 7 T HA 0.670 5.020 4.350 0.001 0.000 0.280 7 T C -0.268 174.419 174.700 -0.022 0.000 0.990 7 T CA -0.290 61.766 62.100 -0.074 0.000 0.960 7 T CB 1.435 70.061 68.868 -0.403 0.000 0.939 7 T HN 0.834 nan 8.240 nan 0.000 0.439 8 A N 3.094 125.916 122.820 0.004 0.000 2.303 8 A HA 0.742 5.063 4.320 0.001 0.000 0.320 8 A C -0.445 177.084 177.584 -0.091 0.000 1.192 8 A CA -0.636 51.346 52.037 -0.092 0.000 0.821 8 A CB 0.793 19.608 19.000 -0.309 0.000 1.188 8 A HN 0.677 nan 8.150 nan 0.000 0.492 9 V N 4.180 124.056 119.914 -0.063 0.000 2.370 9 V HA 0.342 4.462 4.120 0.001 0.000 0.283 9 V C -0.154 175.935 176.094 -0.009 0.000 1.023 9 V CA -0.268 62.025 62.300 -0.012 0.000 0.857 9 V CB 1.021 32.874 31.823 0.050 0.000 0.985 9 V HN 0.745 nan 8.190 nan 0.000 0.443 10 L N 5.309 126.536 121.223 0.008 0.000 2.289 10 L HA 0.597 4.937 4.340 0.001 0.000 0.285 10 L C -0.483 176.413 176.870 0.044 0.000 1.049 10 L CA -0.745 54.100 54.840 0.008 0.000 0.804 10 L CB 1.676 43.731 42.059 -0.006 0.000 1.195 10 L HN 0.338 nan 8.230 nan 0.000 0.428 11 V N 4.910 124.847 119.914 0.039 0.000 2.293 11 V HA 0.277 4.397 4.120 0.001 0.000 0.275 11 V C 0.338 176.464 176.094 0.054 0.000 1.021 11 V CA -0.490 61.844 62.300 0.058 0.000 0.815 11 V CB 1.232 33.089 31.823 0.058 0.000 1.025 11 V HN 0.531 nan 8.190 nan 0.000 0.448 12 L N 4.161 125.424 121.223 0.066 0.000 2.477 12 L HA 0.463 4.803 4.340 0.001 0.000 0.272 12 L C 0.898 177.809 176.870 0.069 0.000 1.157 12 L CA 0.237 55.115 54.840 0.064 0.000 0.889 12 L CB 0.564 42.669 42.059 0.076 0.000 1.158 12 L HN 0.751 nan 8.230 nan 0.000 0.473 13 A N 2.556 125.416 122.820 0.066 0.000 2.538 13 A HA 0.526 4.847 4.320 0.001 0.000 0.276 13 A C 1.002 178.632 177.584 0.076 0.000 0.908 13 A CA 0.368 52.448 52.037 0.072 0.000 1.042 13 A CB 0.401 19.443 19.000 0.070 0.000 1.218 13 A HN 0.735 nan 8.150 nan 0.000 0.517 14 A N -0.156 122.710 122.820 0.077 0.000 2.387 14 A HA 0.555 4.875 4.320 0.001 0.000 0.234 14 A C 1.222 178.858 177.584 0.087 0.000 1.253 14 A CA 0.553 52.643 52.037 0.088 0.000 0.894 14 A CB -0.364 18.689 19.000 0.089 0.000 0.963 14 A HN 0.904 nan 8.150 nan 0.000 0.508 15 G N 0.501 109.347 108.800 0.076 0.000 2.594 15 G HA2 0.387 4.347 3.960 0.001 0.000 0.243 15 G HA3 0.387 4.347 3.960 0.001 0.000 0.243 15 G C -0.662 174.276 174.900 0.065 0.000 1.229 15 G CA -0.521 44.618 45.100 0.066 0.000 0.843 15 G HN 0.179 nan 8.290 nan 0.000 0.578 16 P HA 0.033 nan 4.420 nan 0.000 0.225 16 P C 1.238 178.565 177.300 0.044 0.000 1.156 16 P CA 0.981 64.112 63.100 0.051 0.000 0.787 16 P CB 0.138 31.860 31.700 0.037 0.000 0.802 17 G N 1.061 109.883 108.800 0.035 0.000 2.366 17 G HA2 -0.300 3.660 3.960 0.001 0.000 0.299 17 G HA3 -0.300 3.660 3.960 0.001 0.000 0.299 17 G C 0.924 175.832 174.900 0.014 0.000 1.020 17 G CA 0.826 45.939 45.100 0.021 0.000 1.026 17 G HN 0.500 nan 8.290 nan 0.000 0.512 18 T N -2.500 112.063 114.554 0.016 0.000 2.867 18 T HA -0.064 4.287 4.350 0.001 0.000 0.268 18 T C 2.086 176.790 174.700 0.007 0.000 1.057 18 T CA 1.364 63.473 62.100 0.014 0.000 1.136 18 T CB -0.108 68.769 68.868 0.015 0.000 0.874 18 T HN 0.513 nan 8.240 nan 0.000 0.466 19 R N 0.151 120.651 120.500 0.000 0.000 2.328 19 R HA 0.192 4.532 4.340 0.001 0.000 0.207 19 R C 2.004 178.294 176.300 -0.017 0.000 1.056 19 R CA 0.626 56.724 56.100 -0.004 0.000 1.016 19 R CB -0.247 30.051 30.300 -0.003 0.000 0.872 19 R HN 0.386 nan 8.270 nan 0.000 0.471 20 M N 0.206 119.786 119.600 -0.033 0.000 2.506 20 M HA 0.023 4.504 4.480 0.001 0.000 0.260 20 M C 0.150 176.437 176.300 -0.022 0.000 1.104 20 M CA 0.644 55.903 55.300 -0.069 0.000 1.112 20 M CB -0.091 32.417 32.600 -0.153 0.000 1.401 20 M HN -0.011 nan 8.290 nan 0.000 0.473 21 R N 0.859 121.361 120.500 0.003 0.000 3.251 21 R HA -0.121 4.220 4.340 0.001 0.000 0.249 21 R C -0.142 176.184 176.300 0.043 0.000 0.949 21 R CA 0.378 56.491 56.100 0.021 0.000 0.645 21 R CB -2.739 27.572 30.300 0.018 0.000 1.065 21 R HN 0.330 nan 8.270 nan 0.000 0.452 22 S N -0.516 115.222 115.700 0.063 0.000 2.542 22 S HA 0.390 4.860 4.470 0.001 0.000 0.293 22 S C 0.226 174.884 174.600 0.096 0.000 1.089 22 S CA -0.796 57.473 58.200 0.114 0.000 0.961 22 S CB 1.436 64.781 63.200 0.242 0.000 1.062 22 S HN 0.187 nan 8.310 nan 0.000 0.483 23 D N 2.089 122.536 120.400 0.078 0.000 2.336 23 D HA 0.183 4.823 4.640 0.001 0.000 0.228 23 D C -0.373 175.960 176.300 0.054 0.000 1.120 23 D CA 0.461 54.494 54.000 0.055 0.000 0.839 23 D CB 0.414 41.234 40.800 0.033 0.000 0.932 23 D HN 0.332 nan 8.370 nan 0.000 0.509 24 T N 1.700 116.309 114.554 0.092 0.000 2.841 24 T HA 0.337 4.688 4.350 0.001 0.000 0.285 24 T C -2.643 172.161 174.700 0.175 0.000 0.991 24 T CA -1.557 60.581 62.100 0.064 0.000 0.966 24 T CB 2.508 71.319 68.868 -0.095 0.000 0.962 24 T HN -0.211 nan 8.240 nan 0.000 0.438 25 P HA 0.038 nan 4.420 nan 0.000 0.262 25 P C 1.034 178.467 177.300 0.222 0.000 1.182 25 P CA -0.109 63.073 63.100 0.136 0.000 0.761 25 P CB 0.655 32.409 31.700 0.090 0.000 0.795 26 K N 3.420 123.922 120.400 0.169 0.000 2.052 26 K HA -0.216 4.105 4.320 0.001 0.000 0.215 26 K C 1.457 178.172 176.600 0.191 0.000 1.053 26 K CA 2.627 58.987 56.287 0.122 0.000 0.934 26 K CB -0.624 31.894 32.500 0.029 0.000 0.717 26 K HN 0.372 nan 8.250 nan 0.000 0.450 27 V N -0.567 119.432 119.914 0.142 0.000 3.241 27 V HA -0.102 4.018 4.120 0.001 0.000 0.269 27 V C 1.786 177.964 176.094 0.140 0.000 1.151 27 V CA 1.263 63.640 62.300 0.129 0.000 1.158 27 V CB -0.467 31.417 31.823 0.101 0.000 0.764 27 V HN 0.239 nan 8.190 nan 0.000 0.508 28 L N -0.846 120.472 121.223 0.158 0.000 2.529 28 L HA 0.290 4.630 4.340 0.001 0.000 0.223 28 L C 0.891 177.808 176.870 0.078 0.000 1.113 28 L CA -0.084 54.812 54.840 0.094 0.000 0.861 28 L CB -0.493 41.591 42.059 0.042 0.000 1.012 28 L HN 0.405 nan 8.230 nan 0.000 0.461 29 H N 0.675 119.771 119.070 0.044 0.000 2.790 29 H HA 0.128 4.685 4.556 0.001 0.000 0.358 29 H C 0.618 175.981 175.328 0.058 0.000 1.103 29 H CA 0.282 56.355 56.048 0.041 0.000 1.426 29 H CB 0.611 30.396 29.762 0.038 0.000 1.424 29 H HN 0.028 nan 8.280 nan 0.000 0.599 30 T N 1.195 115.835 114.554 0.144 0.000 2.940 30 T HA 0.665 5.016 4.350 0.001 0.000 0.288 30 T C -1.090 173.692 174.700 0.137 0.000 1.033 30 T CA -1.052 61.120 62.100 0.120 0.000 1.033 30 T CB 1.117 70.017 68.868 0.054 0.000 1.079 30 T HN 0.359 nan 8.240 nan 0.000 0.496 31 L N -0.688 120.652 121.223 0.195 0.000 2.472 31 L HA 0.866 5.207 4.340 0.001 0.000 0.260 31 L C 0.600 177.624 176.870 0.256 0.000 0.963 31 L CA -1.302 53.645 54.840 0.178 0.000 0.829 31 L CB 0.160 42.295 42.059 0.127 0.000 1.348 31 L HN 1.331 nan 8.230 nan 0.000 0.408 32 A N 1.008 123.950 122.820 0.203 0.000 2.816 32 A HA 0.227 4.548 4.320 0.001 0.000 0.270 32 A C 1.594 179.271 177.584 0.155 0.000 1.413 32 A CA 1.758 53.920 52.037 0.209 0.000 0.866 32 A CB -2.030 17.103 19.000 0.222 0.000 1.032 32 A HN 2.875 nan 8.150 nan 0.000 0.642 33 G N -2.805 106.058 108.800 0.104 0.000 2.157 33 G HA2 -0.163 3.797 3.960 0.001 0.000 0.239 33 G HA3 -0.163 3.797 3.960 0.001 0.000 0.239 33 G C -0.039 174.838 174.900 -0.039 0.000 0.982 33 G CA 0.701 45.820 45.100 0.031 0.000 0.650 33 G HN 1.340 nan 8.290 nan 0.000 0.527 34 R N 0.243 120.702 120.500 -0.069 0.000 2.673 34 R HA 0.584 4.924 4.340 0.001 0.000 0.281 34 R C 0.459 176.700 176.300 -0.099 0.000 0.991 34 R CA -0.091 55.852 56.100 -0.260 0.000 0.896 34 R CB 1.664 31.472 30.300 -0.820 0.000 1.201 34 R HN 0.458 nan 8.270 nan 0.000 0.457 35 S N 1.831 117.500 115.700 -0.051 0.000 2.573 35 S HA 0.027 4.498 4.470 0.001 0.000 0.277 35 S C 1.528 176.220 174.600 0.152 0.000 1.346 35 S CA -0.381 57.856 58.200 0.063 0.000 1.034 35 S CB 0.658 63.887 63.200 0.047 0.000 0.879 35 S HN 0.631 nan 8.310 nan 0.000 0.528 36 M N 0.785 120.516 119.600 0.217 0.000 2.089 36 M HA -0.154 4.327 4.480 0.001 0.000 0.257 36 M C 2.066 178.482 176.300 0.193 0.000 1.071 36 M CA 1.611 57.057 55.300 0.243 0.000 1.096 36 M CB -0.786 31.909 32.600 0.159 0.000 1.330 36 M HN 0.768 nan 8.290 nan 0.000 0.403 37 L N 0.020 121.323 121.223 0.134 0.000 1.989 37 L HA -0.206 4.135 4.340 0.001 0.000 0.211 37 L C 2.667 179.605 176.870 0.114 0.000 1.071 37 L CA 2.345 57.251 54.840 0.110 0.000 0.749 37 L CB -1.010 41.101 42.059 0.086 0.000 0.890 37 L HN 0.285 nan 8.230 nan 0.000 0.431 38 S N -1.665 114.084 115.700 0.083 0.000 2.387 38 S HA -0.299 4.171 4.470 0.001 0.000 0.230 38 S C 1.968 176.647 174.600 0.132 0.000 1.035 38 S CA 1.783 60.046 58.200 0.105 0.000 1.014 38 S CB -0.520 62.676 63.200 -0.005 0.000 0.836 38 S HN 0.753 nan 8.310 nan 0.000 0.466 39 H N -0.157 118.967 119.070 0.090 0.000 2.293 39 H HA -0.022 4.535 4.556 0.001 0.000 0.300 39 H C 2.241 177.632 175.328 0.104 0.000 1.082 39 H CA 1.861 57.944 56.048 0.057 0.000 1.308 39 H CB -0.321 29.459 29.762 0.029 0.000 1.375 39 H HN 0.241 nan 8.280 nan 0.000 0.495 40 V N 0.801 120.848 119.914 0.222 0.000 2.287 40 V HA -0.258 3.862 4.120 0.001 0.000 0.248 40 V C 2.366 178.541 176.094 0.136 0.000 1.053 40 V CA 1.768 64.158 62.300 0.151 0.000 1.027 40 V CB -0.556 31.339 31.823 0.120 0.000 0.646 40 V HN 0.357 nan 8.190 nan 0.000 0.447 41 L N -1.185 120.119 121.223 0.135 0.000 2.109 41 L HA -0.142 4.199 4.340 0.001 0.000 0.207 41 L C 2.550 179.455 176.870 0.059 0.000 1.086 41 L CA 1.487 56.374 54.840 0.080 0.000 0.760 41 L CB -0.795 41.290 42.059 0.042 0.000 0.910 41 L HN 0.375 nan 8.230 nan 0.000 0.437 42 H N -0.111 118.977 119.070 0.030 0.000 2.319 42 H HA -0.158 4.398 4.556 0.001 0.000 0.299 42 H C 2.286 177.627 175.328 0.022 0.000 1.092 42 H CA 1.740 57.801 56.048 0.021 0.000 1.302 42 H CB -0.140 29.631 29.762 0.016 0.000 1.373 42 H HN 0.348 nan 8.280 nan 0.000 0.497 43 A N 0.438 123.352 122.820 0.157 0.000 1.873 43 A HA -0.117 4.204 4.320 0.001 0.000 0.215 43 A C 2.424 180.026 177.584 0.030 0.000 1.186 43 A CA 1.537 53.619 52.037 0.075 0.000 0.616 43 A CB -0.717 18.321 19.000 0.063 0.000 0.823 43 A HN 0.349 nan 8.150 nan 0.000 0.442 44 I N -0.100 120.505 120.570 0.058 0.000 2.163 44 I HA -0.303 3.867 4.170 0.001 0.000 0.243 44 I C 2.987 179.138 176.117 0.057 0.000 1.085 44 I CA 1.166 62.511 61.300 0.075 0.000 1.347 44 I CB -0.353 37.712 38.000 0.109 0.000 1.044 44 I HN 0.352 nan 8.210 nan 0.000 0.408 45 A N 0.610 123.448 122.820 0.030 0.000 1.940 45 A HA -0.249 4.071 4.320 0.001 0.000 0.219 45 A C 2.256 179.839 177.584 -0.002 0.000 1.176 45 A CA 1.688 53.730 52.037 0.009 0.000 0.631 45 A CB -0.549 18.425 19.000 -0.044 0.000 0.814 45 A HN 0.349 nan 8.150 nan 0.000 0.446 46 K N -0.566 119.824 120.400 -0.017 0.000 2.360 46 K HA -0.050 4.271 4.320 0.001 0.000 0.201 46 K C 1.329 177.878 176.600 -0.086 0.000 1.046 46 K CA 1.077 57.342 56.287 -0.037 0.000 0.940 46 K CB -0.281 32.201 32.500 -0.030 0.000 0.748 46 K HN 0.540 nan 8.250 nan 0.000 0.465 47 L N -0.425 120.719 121.223 -0.132 0.000 2.513 47 L HA 0.196 4.537 4.340 0.001 0.000 0.222 47 L C 0.517 177.400 176.870 0.021 0.000 1.096 47 L CA -0.097 54.563 54.840 -0.299 0.000 0.857 47 L CB -0.076 41.423 42.059 -0.932 0.000 1.026 47 L HN 0.044 nan 8.230 nan 0.000 0.469 48 A N 0.825 123.713 122.820 0.112 0.000 2.475 48 A HA -0.118 4.203 4.320 0.001 0.000 0.295 48 A C -2.188 175.547 177.584 0.251 0.000 1.457 48 A CA -0.279 51.846 52.037 0.147 0.000 0.734 48 A CB -1.978 17.075 19.000 0.088 0.000 1.118 48 A HN 0.229 nan 8.150 nan 0.000 0.400 49 P HA 0.261 nan 4.420 nan 0.000 0.274 49 P C 0.843 178.201 177.300 0.096 0.000 1.246 49 P CA -0.100 63.108 63.100 0.180 0.000 0.795 49 P CB 0.652 32.424 31.700 0.120 0.000 1.006 50 Q N 0.158 119.999 119.800 0.069 0.000 2.084 50 Q HA -0.056 4.285 4.340 0.001 0.000 0.202 50 Q C 0.531 176.563 176.000 0.053 0.000 0.978 50 Q CA 1.826 57.678 55.803 0.081 0.000 0.844 50 Q CB -0.030 28.789 28.738 0.134 0.000 0.898 50 Q HN 0.373 nan 8.270 nan 0.000 0.426 51 R N -0.436 120.073 120.500 0.015 0.000 2.628 51 R HA 0.484 4.824 4.340 0.001 0.000 0.288 51 R C -1.199 175.076 176.300 -0.042 0.000 0.980 51 R CA -0.533 55.541 56.100 -0.044 0.000 0.891 51 R CB 1.496 31.701 30.300 -0.158 0.000 1.188 51 R HN 0.125 nan 8.270 nan 0.000 0.450 52 L N 4.365 125.570 121.223 -0.030 0.000 2.372 52 L HA 0.582 4.922 4.340 0.001 0.000 0.274 52 L C -1.166 175.688 176.870 -0.026 0.000 0.988 52 L CA -0.615 54.217 54.840 -0.013 0.000 0.833 52 L CB 1.325 43.393 42.059 0.015 0.000 1.236 52 L HN 0.555 nan 8.230 nan 0.000 0.410 53 I N 4.887 125.438 120.570 -0.031 0.000 2.498 53 I HA 0.395 4.566 4.170 0.001 0.000 0.290 53 I C -0.727 175.382 176.117 -0.014 0.000 1.032 53 I CA -0.808 60.470 61.300 -0.037 0.000 1.073 53 I CB 2.310 40.269 38.000 -0.068 0.000 1.251 53 I HN 0.149 nan 8.210 nan 0.000 0.426 54 V N 6.812 126.721 119.914 -0.007 0.000 2.334 54 V HA 0.278 4.398 4.120 0.001 0.000 0.281 54 V C 0.067 176.163 176.094 0.003 0.000 1.016 54 V CA -0.765 61.541 62.300 0.009 0.000 0.832 54 V CB 1.584 33.420 31.823 0.022 0.000 0.999 54 V HN 0.396 nan 8.190 nan 0.000 0.439 55 V N 7.303 127.222 119.914 0.008 0.000 2.470 55 V HA 0.348 4.469 4.120 0.001 0.000 0.276 55 V C 0.132 176.245 176.094 0.031 0.000 1.040 55 V CA 0.040 62.344 62.300 0.006 0.000 1.008 55 V CB 0.669 32.495 31.823 0.006 0.000 0.990 55 V HN 0.605 nan 8.190 nan 0.000 0.477 56 L N 3.757 124.997 121.223 0.029 0.000 2.301 56 L HA 0.846 5.186 4.340 0.001 0.000 0.264 56 L C 0.901 177.824 176.870 0.088 0.000 1.016 56 L CA -0.392 54.490 54.840 0.070 0.000 0.821 56 L CB 2.079 44.196 42.059 0.098 0.000 1.346 56 L HN 0.723 nan 8.230 nan 0.000 0.429 57 G N -1.781 107.105 108.800 0.143 0.000 3.134 57 G HA2 0.111 4.071 3.960 0.001 0.000 0.158 57 G HA3 0.111 4.071 3.960 0.001 0.000 0.158 57 G C 0.426 175.498 174.900 0.287 0.000 1.334 57 G CA 0.112 45.319 45.100 0.177 0.000 1.001 57 G HN 0.663 nan 8.290 nan 0.000 0.600 58 H N 0.493 119.649 119.070 0.143 0.000 2.357 58 H HA -0.055 4.502 4.556 0.000 0.000 0.301 58 H C 1.262 176.630 175.328 0.067 0.000 1.082 58 H CA 1.907 58.039 56.048 0.139 0.000 1.342 58 H CB 0.089 29.894 29.762 0.071 0.000 1.389 58 H HN 0.423 nan 8.280 nan 0.000 0.511 59 D N -0.120 120.314 120.400 0.058 0.000 2.519 59 D HA -0.085 4.555 4.640 0.001 0.000 0.238 59 D C 1.462 177.706 176.300 -0.093 0.000 1.192 59 D CA -0.035 53.922 54.000 -0.071 0.000 0.835 59 D CB -1.210 39.594 40.800 0.007 0.000 0.975 59 D HN 0.696 nan 8.370 nan 0.000 0.490 60 H N -0.348 118.705 119.070 -0.028 0.000 2.489 60 H HA -0.091 4.465 4.556 0.001 0.000 0.293 60 H C 0.913 176.229 175.328 -0.020 0.000 1.066 60 H CA 0.817 56.857 56.048 -0.013 0.000 1.305 60 H CB -0.156 29.599 29.762 -0.011 0.000 1.386 60 H HN 0.259 nan 8.280 nan 0.000 0.551 61 Q N 0.918 120.477 119.800 -0.403 0.000 2.224 61 Q HA 0.003 4.343 4.340 0.001 0.000 0.203 61 Q C 2.173 178.121 176.000 -0.087 0.000 0.970 61 Q CA 0.840 56.524 55.803 -0.197 0.000 0.865 61 Q CB 0.083 28.665 28.738 -0.259 0.000 0.922 61 Q HN 0.517 nan 8.270 nan 0.000 0.445 62 R N -0.322 120.129 120.500 -0.082 0.000 2.236 62 R HA 0.071 4.411 4.340 0.001 0.000 0.208 62 R C 1.467 177.766 176.300 -0.002 0.000 1.036 62 R CA 0.788 56.867 56.100 -0.035 0.000 1.001 62 R CB 0.237 30.520 30.300 -0.028 0.000 0.896 62 R HN 0.295 nan 8.270 nan 0.000 0.464 63 I N -0.968 119.613 120.570 0.018 0.000 3.971 63 I HA 0.094 4.264 4.170 0.001 0.000 0.303 63 I C 2.215 178.358 176.117 0.045 0.000 1.233 63 I CA 0.212 61.536 61.300 0.040 0.000 1.346 63 I CB -0.071 37.965 38.000 0.060 0.000 1.273 63 I HN -0.013 nan 8.210 nan 0.000 0.448 64 A N 2.153 125.010 122.820 0.060 0.000 1.917 64 A HA -0.132 4.189 4.320 0.001 0.000 0.219 64 A C -0.110 177.495 177.584 0.035 0.000 1.182 64 A CA 1.979 54.050 52.037 0.057 0.000 0.633 64 A CB -1.907 17.144 19.000 0.086 0.000 0.819 64 A HN 0.238 nan 8.150 nan 0.000 0.448 65 P HA -0.178 nan 4.420 nan 0.000 0.214 65 P C 1.715 179.024 177.300 0.015 0.000 1.163 65 P CA 1.161 64.270 63.100 0.016 0.000 0.889 65 P CB -0.153 31.552 31.700 0.008 0.000 0.790 66 L N -0.387 120.847 121.223 0.018 0.000 2.042 66 L HA -0.150 4.190 4.340 0.001 0.000 0.210 66 L C 2.132 179.014 176.870 0.020 0.000 1.076 66 L CA 1.885 56.737 54.840 0.019 0.000 0.749 66 L CB -1.283 40.791 42.059 0.024 0.000 0.893 66 L HN -0.191 nan 8.230 nan 0.000 0.432 67 V N 0.275 120.203 119.914 0.023 0.000 2.332 67 V HA -0.252 3.869 4.120 0.001 0.000 0.248 67 V C 2.650 178.748 176.094 0.008 0.000 1.055 67 V CA 1.854 64.165 62.300 0.019 0.000 1.038 67 V CB -1.766 30.071 31.823 0.023 0.000 0.651 67 V HN 0.648 nan 8.190 nan 0.000 0.450 68 G N -0.828 107.977 108.800 0.009 0.000 2.422 68 G HA2 -0.225 3.736 3.960 0.001 0.000 0.218 68 G HA3 -0.225 3.736 3.960 0.001 0.000 0.218 68 G C 1.464 176.363 174.900 -0.001 0.000 1.146 68 G CA 0.817 45.919 45.100 0.003 0.000 0.769 68 G HN 0.563 nan 8.290 nan 0.000 0.547 69 E N -0.029 120.173 120.200 0.003 0.000 2.058 69 E HA -0.086 4.264 4.350 0.001 0.000 0.194 69 E C 2.579 179.176 176.600 -0.006 0.000 0.997 69 E CA 0.746 57.147 56.400 0.002 0.000 0.801 69 E CB -0.194 29.511 29.700 0.008 0.000 0.746 69 E HN 0.406 nan 8.360 nan 0.000 0.450 70 L N 0.456 121.675 121.223 -0.008 0.000 2.056 70 L HA -0.154 4.186 4.340 0.001 0.000 0.207 70 L C 2.629 179.463 176.870 -0.061 0.000 1.078 70 L CA 0.801 55.620 54.840 -0.036 0.000 0.749 70 L CB -0.555 41.489 42.059 -0.025 0.000 0.901 70 L HN 0.136 nan 8.230 nan 0.000 0.433 71 A N 0.513 123.311 122.820 -0.036 0.000 1.884 71 A HA -0.303 4.018 4.320 0.001 0.000 0.219 71 A C 1.940 179.503 177.584 -0.034 0.000 1.197 71 A CA 2.456 54.473 52.037 -0.033 0.000 0.637 71 A CB -0.703 18.287 19.000 -0.017 0.000 0.827 71 A HN 0.408 nan 8.150 nan 0.000 0.450 72 D N -0.894 119.492 120.400 -0.024 0.000 2.097 72 D HA -0.078 4.562 4.640 0.001 0.000 0.197 72 D C 2.095 178.379 176.300 -0.025 0.000 0.984 72 D CA 1.832 55.821 54.000 -0.019 0.000 0.826 72 D CB -1.048 39.746 40.800 -0.010 0.000 0.973 72 D HN 0.413 nan 8.370 nan 0.000 0.460 73 T N 1.351 115.888 114.554 -0.030 0.000 2.665 73 T HA -0.124 4.227 4.350 0.001 0.000 0.268 73 T C 1.996 176.658 174.700 -0.063 0.000 1.035 73 T CA 0.802 62.883 62.100 -0.032 0.000 1.151 73 T CB -0.318 68.537 68.868 -0.023 0.000 0.862 73 T HN 0.141 nan 8.240 nan 0.000 0.438 74 L N 0.412 121.570 121.223 -0.108 0.000 2.610 74 L HA 0.234 4.575 4.340 0.001 0.000 0.232 74 L C 1.710 178.541 176.870 -0.064 0.000 1.149 74 L CA 0.208 54.972 54.840 -0.127 0.000 0.872 74 L CB -0.631 41.319 42.059 -0.182 0.000 0.992 74 L HN 0.474 nan 8.230 nan 0.000 0.447 75 G N 1.795 110.570 108.800 -0.042 0.000 2.273 75 G HA2 -0.298 3.663 3.960 0.001 0.000 0.280 75 G HA3 -0.298 3.663 3.960 0.001 0.000 0.280 75 G C 0.245 175.134 174.900 -0.018 0.000 1.047 75 G CA 0.818 45.904 45.100 -0.023 0.000 0.869 75 G HN 0.617 nan 8.290 nan 0.000 0.502 76 R N -2.472 118.015 120.500 -0.021 0.000 2.902 76 R HA 0.792 5.132 4.340 0.001 0.000 0.264 76 R C -0.952 175.342 176.300 -0.011 0.000 1.059 76 R CA -0.285 55.808 56.100 -0.012 0.000 0.935 76 R CB 0.497 30.792 30.300 -0.008 0.000 1.325 76 R HN 0.436 nan 8.270 nan 0.000 0.438 77 T N 0.701 115.251 114.554 -0.006 0.000 2.779 77 T HA 0.618 4.968 4.350 0.001 0.000 0.280 77 T C -0.802 173.893 174.700 -0.008 0.000 0.987 77 T CA -0.684 61.412 62.100 -0.006 0.000 0.966 77 T CB 0.343 69.209 68.868 -0.003 0.000 0.933 77 T HN 0.394 nan 8.240 nan 0.000 0.442 78 I N 4.973 125.537 120.570 -0.010 0.000 2.447 78 I HA 0.392 4.563 4.170 0.001 0.000 0.287 78 I C -0.133 175.977 176.117 -0.012 0.000 1.023 78 I CA -0.913 60.381 61.300 -0.010 0.000 1.083 78 I CB 1.833 39.828 38.000 -0.007 0.000 1.245 78 I HN 0.565 nan 8.210 nan 0.000 0.434 79 D N 5.325 125.714 120.400 -0.019 0.000 2.340 79 D HA 0.498 5.139 4.640 0.001 0.000 0.251 79 D C -0.578 175.707 176.300 -0.024 0.000 1.080 79 D CA -0.295 53.690 54.000 -0.025 0.000 0.971 79 D CB 2.791 43.568 40.800 -0.038 0.000 1.137 79 D HN 0.055 nan 8.370 nan 0.000 0.475 80 V N 0.566 120.463 119.914 -0.029 0.000 2.487 80 V HA 0.578 4.699 4.120 0.001 0.000 0.298 80 V C -0.114 175.948 176.094 -0.055 0.000 1.028 80 V CA -0.757 61.524 62.300 -0.032 0.000 0.860 80 V CB 1.508 33.317 31.823 -0.024 0.000 0.991 80 V HN 0.693 nan 8.190 nan 0.000 0.427 81 A N 5.647 128.433 122.820 -0.057 0.000 2.324 81 A HA 0.906 5.227 4.320 0.001 0.000 0.330 81 A C -0.792 176.743 177.584 -0.082 0.000 1.165 81 A CA -0.588 51.406 52.037 -0.071 0.000 0.813 81 A CB 0.932 19.891 19.000 -0.068 0.000 1.197 81 A HN 0.782 nan 8.150 nan 0.000 0.484 82 L N 1.158 122.319 121.223 -0.102 0.000 2.331 82 L HA 0.570 4.911 4.340 0.001 0.000 0.275 82 L C 0.120 176.966 176.870 -0.040 0.000 1.022 82 L CA -0.415 54.355 54.840 -0.116 0.000 0.812 82 L CB 1.696 43.629 42.059 -0.211 0.000 1.257 82 L HN 0.864 nan 8.230 nan 0.000 0.435 83 Q N 1.364 121.174 119.800 0.017 0.000 2.695 83 Q HA 0.089 4.429 4.340 0.001 0.000 0.246 83 Q C -0.231 175.847 176.000 0.130 0.000 0.961 83 Q CA -0.317 55.545 55.803 0.097 0.000 0.708 83 Q CB 1.525 30.340 28.738 0.127 0.000 1.282 83 Q HN 0.726 nan 8.270 nan 0.000 0.482 84 D N 2.831 123.310 120.400 0.132 0.000 2.116 84 D HA -0.145 4.495 4.640 0.001 0.000 0.193 84 D C -0.284 176.089 176.300 0.121 0.000 0.998 84 D CA 1.679 55.778 54.000 0.164 0.000 0.836 84 D CB 0.527 41.408 40.800 0.135 0.000 0.951 84 D HN 0.399 nan 8.370 nan 0.000 0.449 85 R N -0.755 119.782 120.500 0.061 0.000 2.621 85 R HA 0.377 4.717 4.340 0.001 0.000 0.292 85 R C -2.374 173.917 176.300 -0.016 0.000 0.969 85 R CA -1.844 54.252 56.100 -0.006 0.000 0.887 85 R CB 2.284 32.547 30.300 -0.062 0.000 1.180 85 R HN -0.002 nan 8.270 nan 0.000 0.450 86 P HA 0.040 nan 4.420 nan 0.000 0.256 86 P C -0.022 177.253 177.300 -0.040 0.000 1.688 86 P CA 0.281 63.390 63.100 0.015 0.000 1.162 86 P CB 0.270 31.988 31.700 0.030 0.000 1.870 87 L N 1.292 122.434 121.223 -0.136 0.000 2.591 87 L HA 0.339 4.680 4.340 0.001 0.000 0.228 87 L C 1.215 178.054 176.870 -0.051 0.000 1.133 87 L CA 0.352 55.066 54.840 -0.211 0.000 0.880 87 L CB -0.296 41.407 42.059 -0.592 0.000 1.033 87 L HN 0.465 nan 8.230 nan 0.000 0.450 88 G N -0.940 107.892 108.800 0.052 0.000 2.339 88 G HA2 -0.088 3.872 3.960 0.001 0.000 0.381 88 G HA3 -0.088 3.872 3.960 0.001 0.000 0.381 88 G C 0.385 175.373 174.900 0.146 0.000 1.400 88 G CA -0.142 45.034 45.100 0.127 0.000 1.002 88 G HN -0.003 nan 8.290 nan 0.000 0.633 89 T N -1.855 112.782 114.554 0.139 0.000 2.777 89 T HA 0.087 4.438 4.350 0.001 0.000 0.266 89 T C 2.594 177.334 174.700 0.066 0.000 1.040 89 T CA 2.274 64.434 62.100 0.099 0.000 1.141 89 T CB -0.650 68.273 68.868 0.091 0.000 0.868 89 T HN 1.800 nan 8.240 nan 0.000 0.444 90 G N 1.037 109.882 108.800 0.076 0.000 2.446 90 G HA2 -0.334 3.626 3.960 0.001 0.000 0.217 90 G HA3 -0.334 3.626 3.960 0.001 0.000 0.217 90 G C 1.564 176.474 174.900 0.018 0.000 1.168 90 G CA 1.029 46.140 45.100 0.019 0.000 0.771 90 G HN 0.694 nan 8.290 nan 0.000 0.551 91 H N 1.323 120.385 119.070 -0.014 0.000 2.387 91 H HA -0.022 4.534 4.556 0.001 0.000 0.299 91 H C 2.744 178.058 175.328 -0.023 0.000 1.099 91 H CA 1.567 57.603 56.048 -0.020 0.000 1.315 91 H CB -0.181 29.577 29.762 -0.007 0.000 1.380 91 H HN 0.306 nan 8.280 nan 0.000 0.513 92 A N 0.508 123.366 122.820 0.064 0.000 1.933 92 A HA -0.106 4.215 4.320 0.001 0.000 0.218 92 A C 2.857 180.398 177.584 -0.071 0.000 1.175 92 A CA 1.560 53.604 52.037 0.011 0.000 0.628 92 A CB -0.855 18.182 19.000 0.062 0.000 0.814 92 A HN 0.309 nan 8.150 nan 0.000 0.444 93 V N 0.085 119.948 119.914 -0.084 0.000 2.407 93 V HA -0.246 3.874 4.120 0.001 0.000 0.248 93 V C 2.527 178.525 176.094 -0.160 0.000 1.055 93 V CA 1.753 63.979 62.300 -0.123 0.000 1.049 93 V CB -0.772 30.947 31.823 -0.173 0.000 0.662 93 V HN 0.562 nan 8.190 nan 0.000 0.455 94 L N -0.621 120.486 121.223 -0.194 0.000 1.955 94 L HA -0.268 4.073 4.340 0.001 0.000 0.213 94 L C 2.750 179.497 176.870 -0.205 0.000 1.072 94 L CA 2.198 56.910 54.840 -0.213 0.000 0.755 94 L CB -0.851 41.047 42.059 -0.268 0.000 0.888 94 L HN 0.384 nan 8.230 nan 0.000 0.432 95 C N 0.094 119.238 119.300 -0.260 0.000 2.375 95 C HA -0.232 4.229 4.460 0.001 0.000 0.274 95 C C 2.820 177.734 174.990 -0.126 0.000 1.190 95 C CA 1.014 59.920 59.018 -0.186 0.000 1.775 95 C CB -1.851 25.789 27.740 -0.166 0.000 2.067 95 C HN 0.781 nan 8.230 nan 0.000 0.463 96 G N -0.268 108.464 108.800 -0.114 0.000 2.422 96 G HA2 -0.118 3.843 3.960 0.001 0.000 0.218 96 G HA3 -0.118 3.843 3.960 0.001 0.000 0.218 96 G C 1.535 176.368 174.900 -0.112 0.000 1.140 96 G CA 0.450 45.493 45.100 -0.095 0.000 0.775 96 G HN 0.569 nan 8.290 nan 0.000 0.545 97 L N 1.477 122.625 121.223 -0.124 0.000 2.141 97 L HA -0.070 4.271 4.340 0.001 0.000 0.209 97 L C 3.195 180.000 176.870 -0.108 0.000 1.094 97 L CA 1.262 56.027 54.840 -0.125 0.000 0.763 97 L CB -0.375 41.611 42.059 -0.123 0.000 0.908 97 L HN 0.434 nan 8.230 nan 0.000 0.437 98 S N 0.297 115.936 115.700 -0.102 0.000 2.465 98 S HA -0.140 4.330 4.470 0.001 0.000 0.241 98 S C 1.720 176.275 174.600 -0.075 0.000 1.000 98 S CA 0.917 59.067 58.200 -0.083 0.000 0.964 98 S CB -0.218 62.931 63.200 -0.084 0.000 0.763 98 S HN 0.355 nan 8.310 nan 0.000 0.512 99 A N 0.246 123.013 122.820 -0.089 0.000 2.345 99 A HA 0.579 4.900 4.320 0.001 0.000 0.225 99 A C 0.552 178.074 177.584 -0.104 0.000 1.243 99 A CA -0.373 51.613 52.037 -0.085 0.000 0.875 99 A CB -0.117 18.833 19.000 -0.084 0.000 0.929 99 A HN 0.541 nan 8.150 nan 0.000 0.502 100 L N 1.111 122.261 121.223 -0.121 0.000 2.334 100 L HA 0.383 4.724 4.340 0.001 0.000 0.272 100 L C -2.119 174.726 176.870 -0.042 0.000 1.020 100 L CA -2.491 52.261 54.840 -0.148 0.000 0.812 100 L CB 1.478 43.376 42.059 -0.269 0.000 1.264 100 L HN 0.044 nan 8.230 nan 0.000 0.439 101 P HA -0.028 nan 4.420 nan 0.000 0.264 101 P C -0.443 176.897 177.300 0.067 0.000 1.183 101 P CA -0.057 63.077 63.100 0.057 0.000 0.763 101 P CB 0.704 32.468 31.700 0.107 0.000 0.807 102 D N 1.272 121.692 120.400 0.034 0.000 2.271 102 D HA -0.167 4.474 4.640 0.001 0.000 0.207 102 D C 0.940 177.264 176.300 0.041 0.000 0.983 102 D CA 1.446 55.462 54.000 0.026 0.000 0.878 102 D CB -0.224 40.581 40.800 0.009 0.000 0.920 102 D HN 0.538 nan 8.370 nan 0.000 0.479 103 D N -1.341 119.091 120.400 0.054 0.000 2.427 103 D HA -0.089 4.552 4.640 0.001 0.000 0.224 103 D C 0.103 176.437 176.300 0.056 0.000 1.157 103 D CA -0.702 53.323 54.000 0.040 0.000 0.828 103 D CB -1.190 39.620 40.800 0.016 0.000 0.974 103 D HN 0.192 nan 8.370 nan 0.000 0.498 104 Y N 1.132 121.422 120.300 -0.018 0.000 2.712 104 Y HA 0.180 4.731 4.550 0.001 0.000 0.333 104 Y C 1.246 177.138 175.900 -0.013 0.000 1.225 104 Y CA 0.554 58.644 58.100 -0.017 0.000 1.499 104 Y CB 1.050 39.497 38.460 -0.022 0.000 1.288 104 Y HN 0.116 nan 8.280 nan 0.000 0.575 105 A N 4.256 126.703 122.820 -0.623 0.000 2.456 105 A HA 0.349 4.670 4.320 0.001 0.000 0.237 105 A C 0.968 178.319 177.584 -0.390 0.000 1.217 105 A CA 0.410 52.231 52.037 -0.359 0.000 0.962 105 A CB -0.462 18.384 19.000 -0.255 0.000 1.079 105 A HN 0.884 nan 8.150 nan 0.000 0.536 106 G N 0.178 108.500 108.800 -0.797 0.000 2.616 106 G HA2 0.359 4.319 3.960 0.001 0.000 0.268 106 G HA3 0.359 4.319 3.960 0.001 0.000 0.268 106 G C -0.324 174.622 174.900 0.077 0.000 1.213 106 G CA -0.537 44.391 45.100 -0.287 0.000 0.926 106 G HN 0.254 nan 8.290 nan 0.000 0.523 107 N N -1.172 117.577 118.700 0.083 0.000 2.479 107 N HA 0.150 4.890 4.740 0.001 0.000 0.257 107 N C -0.341 175.236 175.510 0.112 0.000 1.232 107 N CA -0.034 53.071 53.050 0.091 0.000 0.920 107 N CB 1.679 40.178 38.487 0.019 0.000 1.105 107 N HN 0.089 nan 8.380 nan 0.000 0.444 108 V N 2.556 122.534 119.914 0.105 0.000 2.313 108 V HA 0.188 4.308 4.120 0.001 0.000 0.278 108 V C 0.186 176.332 176.094 0.088 0.000 1.017 108 V CA -0.778 61.575 62.300 0.089 0.000 0.823 108 V CB 1.432 33.317 31.823 0.103 0.000 1.010 108 V HN 0.281 nan 8.190 nan 0.000 0.443 109 V N 6.188 126.104 119.914 0.003 0.000 2.461 109 V HA 0.329 4.450 4.120 0.001 0.000 0.275 109 V C 0.154 176.311 176.094 0.106 0.000 1.047 109 V CA -0.247 62.067 62.300 0.023 0.000 0.955 109 V CB 1.698 33.500 31.823 -0.035 0.000 0.988 109 V HN 0.596 nan 8.190 nan 0.000 0.471 110 V N 4.707 124.740 119.914 0.198 0.000 2.435 110 V HA 0.656 4.776 4.120 0.001 0.000 0.290 110 V C 0.190 176.425 176.094 0.234 0.000 1.030 110 V CA -0.069 62.366 62.300 0.225 0.000 0.881 110 V CB 1.760 33.760 31.823 0.295 0.000 0.983 110 V HN 0.988 nan 8.190 nan 0.000 0.445 111 T N 2.497 117.150 114.554 0.166 0.000 2.778 111 T HA 0.557 4.908 4.350 0.001 0.000 0.293 111 T C -0.728 174.045 174.700 0.121 0.000 1.144 111 T CA -0.267 61.916 62.100 0.138 0.000 1.010 111 T CB 2.121 71.049 68.868 0.101 0.000 1.325 111 T HN 0.704 nan 8.240 nan 0.000 0.515 112 S N -1.051 114.707 115.700 0.098 0.000 2.638 112 S HA 0.621 5.091 4.470 0.001 0.000 0.298 112 S C 1.241 175.889 174.600 0.080 0.000 1.111 112 S CA 0.025 58.279 58.200 0.090 0.000 1.027 112 S CB 1.026 64.278 63.200 0.087 0.000 1.064 112 S HN 0.923 nan 8.310 nan 0.000 0.525 113 G N 0.788 109.635 108.800 0.080 0.000 2.920 113 G HA2 0.052 4.013 3.960 0.001 0.000 0.208 113 G HA3 0.052 4.013 3.960 0.001 0.000 0.208 113 G C 0.217 175.167 174.900 0.084 0.000 1.159 113 G CA 0.322 45.471 45.100 0.082 0.000 0.784 113 G HN 0.795 nan 8.290 nan 0.000 0.535 114 D N -0.259 120.185 120.400 0.074 0.000 2.670 114 D HA 0.067 4.707 4.640 0.001 0.000 0.255 114 D C 0.606 176.937 176.300 0.052 0.000 1.286 114 D CA -0.369 53.671 54.000 0.067 0.000 0.830 114 D CB -0.326 40.511 40.800 0.062 0.000 1.065 114 D HN 0.065 nan 8.370 nan 0.000 0.486 115 T N -2.032 112.550 114.554 0.047 0.000 3.331 115 T HA 0.390 4.740 4.350 0.001 0.000 0.381 115 T C -2.173 172.535 174.700 0.013 0.000 1.656 115 T CA -1.594 60.517 62.100 0.018 0.000 1.453 115 T CB 1.630 70.501 68.868 0.005 0.000 1.066 115 T HN -0.279 nan 8.240 nan 0.000 0.655 116 P HA 0.043 nan 4.420 nan 0.000 0.218 116 P C 1.094 178.331 177.300 -0.104 0.000 1.149 116 P CA 0.348 63.414 63.100 -0.057 0.000 0.817 116 P CB 0.118 31.712 31.700 -0.177 0.000 0.785 117 L N -2.069 119.101 121.223 -0.087 0.000 2.558 117 L HA 0.113 4.453 4.340 0.001 0.000 0.225 117 L C 0.922 177.762 176.870 -0.049 0.000 1.128 117 L CA -0.085 54.705 54.840 -0.083 0.000 0.868 117 L CB -0.968 41.044 42.059 -0.079 0.000 1.006 117 L HN -0.024 nan 8.230 nan 0.000 0.454 118 L N 1.501 122.706 121.223 -0.031 0.000 2.559 118 L HA 0.046 4.386 4.340 0.001 0.000 0.282 118 L C 0.139 177.001 176.870 -0.013 0.000 1.232 118 L CA 0.335 55.161 54.840 -0.022 0.000 0.885 118 L CB -0.205 41.851 42.059 -0.004 0.000 1.131 118 L HN 0.307 nan 8.230 nan 0.000 0.498 119 D N 3.274 123.660 120.400 -0.025 0.000 2.414 119 D HA 0.453 5.093 4.640 0.001 0.000 0.241 119 D C 0.522 176.796 176.300 -0.043 0.000 1.008 119 D CA -0.090 53.894 54.000 -0.027 0.000 1.001 119 D CB 1.164 41.944 40.800 -0.034 0.000 1.277 119 D HN 0.538 nan 8.370 nan 0.000 0.538 120 A N 0.747 123.532 122.820 -0.059 0.000 1.865 120 A HA -0.233 4.088 4.320 0.001 0.000 0.217 120 A C 1.546 179.063 177.584 -0.111 0.000 1.191 120 A CA 2.001 53.972 52.037 -0.109 0.000 0.623 120 A CB -0.822 18.113 19.000 -0.109 0.000 0.826 120 A HN 0.653 nan 8.150 nan 0.000 0.444 121 D N -0.435 119.921 120.400 -0.074 0.000 2.116 121 D HA -0.130 4.511 4.640 0.001 0.000 0.193 121 D C 1.962 178.238 176.300 -0.041 0.000 0.998 121 D CA 2.004 55.971 54.000 -0.056 0.000 0.836 121 D CB -0.979 39.797 40.800 -0.041 0.000 0.951 121 D HN 0.413 nan 8.370 nan 0.000 0.449 122 T N 1.092 115.624 114.554 -0.038 0.000 2.803 122 T HA -0.077 4.273 4.350 0.001 0.000 0.269 122 T C 2.175 176.873 174.700 -0.003 0.000 1.052 122 T CA 0.542 62.626 62.100 -0.026 0.000 1.136 122 T CB -0.110 68.735 68.868 -0.038 0.000 0.864 122 T HN 0.128 nan 8.240 nan 0.000 0.467 123 L N 0.333 121.553 121.223 -0.005 0.000 2.084 123 L HA 0.095 4.436 4.340 0.001 0.000 0.202 123 L C 3.063 180.004 176.870 0.118 0.000 1.074 123 L CA 0.932 55.810 54.840 0.064 0.000 0.757 123 L CB -0.667 41.422 42.059 0.050 0.000 0.918 123 L HN 0.197 nan 8.230 nan 0.000 0.444 124 A N 0.183 122.992 122.820 -0.020 0.000 1.948 124 A HA -0.278 4.043 4.320 0.001 0.000 0.220 124 A C 1.821 179.460 177.584 0.091 0.000 1.177 124 A CA 2.322 54.377 52.037 0.030 0.000 0.636 124 A CB -0.634 18.316 19.000 -0.083 0.000 0.815 124 A HN 0.388 nan 8.150 nan 0.000 0.449 125 D N -0.715 119.715 120.400 0.051 0.000 2.144 125 D HA -0.097 4.543 4.640 0.001 0.000 0.200 125 D C 1.805 178.153 176.300 0.081 0.000 0.978 125 D CA 1.134 55.166 54.000 0.054 0.000 0.833 125 D CB -0.376 40.441 40.800 0.028 0.000 0.961 125 D HN 0.382 nan 8.370 nan 0.000 0.470 126 L N 1.005 122.280 121.223 0.087 0.000 1.994 126 L HA -0.171 4.169 4.340 0.001 0.000 0.208 126 L C 2.536 179.478 176.870 0.121 0.000 1.071 126 L CA 1.599 56.492 54.840 0.087 0.000 0.745 126 L CB -0.870 41.227 42.059 0.063 0.000 0.892 126 L HN 0.153 nan 8.230 nan 0.000 0.431 127 I N -2.114 118.548 120.570 0.154 0.000 2.226 127 I HA -0.055 4.116 4.170 0.001 0.000 0.245 127 I C 2.781 178.996 176.117 0.163 0.000 1.100 127 I CA 0.939 62.328 61.300 0.148 0.000 1.374 127 I CB -2.799 35.291 38.000 0.149 0.000 1.057 127 I HN 0.485 nan 8.210 nan 0.000 0.413 128 A N 0.999 123.903 122.820 0.140 0.000 1.892 128 A HA -0.240 4.081 4.320 0.001 0.000 0.218 128 A C 2.422 180.048 177.584 0.070 0.000 1.188 128 A CA 2.923 55.017 52.037 0.096 0.000 0.631 128 A CB -1.686 17.360 19.000 0.077 0.000 0.822 128 A HN 0.611 nan 8.150 nan 0.000 0.447 129 T N -1.446 113.157 114.554 0.082 0.000 2.746 129 T HA -0.153 4.198 4.350 0.001 0.000 0.267 129 T C 1.873 176.583 174.700 0.017 0.000 1.039 129 T CA 1.327 63.459 62.100 0.053 0.000 1.142 129 T CB -0.479 68.463 68.868 0.122 0.000 0.866 129 T HN 0.683 nan 8.240 nan 0.000 0.444 130 H N 1.281 120.348 119.070 -0.005 0.000 2.352 130 H HA -0.023 4.533 4.556 0.001 0.000 0.299 130 H C 2.454 177.759 175.328 -0.039 0.000 1.097 130 H CA 1.487 57.523 56.048 -0.020 0.000 1.311 130 H CB 0.123 29.886 29.762 0.002 0.000 1.377 130 H HN 0.265 nan 8.280 nan 0.000 0.504 131 R N -0.069 120.428 120.500 -0.006 0.000 2.062 131 R HA 0.017 4.357 4.340 0.001 0.000 0.226 131 R C 2.740 178.985 176.300 -0.092 0.000 1.125 131 R CA 0.882 56.948 56.100 -0.056 0.000 0.966 131 R CB -0.185 30.130 30.300 0.025 0.000 0.861 131 R HN 0.262 nan 8.270 nan 0.000 0.433 132 A N 1.325 124.103 122.820 -0.070 0.000 1.859 132 A HA -0.176 4.144 4.320 0.001 0.000 0.217 132 A C 2.423 179.927 177.584 -0.134 0.000 1.198 132 A CA 2.219 54.207 52.037 -0.082 0.000 0.629 132 A CB -1.284 17.679 19.000 -0.061 0.000 0.830 132 A HN 0.296 nan 8.150 nan 0.000 0.446 133 V N -1.261 118.522 119.914 -0.217 0.000 3.444 133 V HA 0.184 4.304 4.120 0.001 0.000 0.271 133 V C 1.198 177.157 176.094 -0.225 0.000 1.188 133 V CA 1.614 63.746 62.300 -0.282 0.000 1.168 133 V CB -1.504 29.960 31.823 -0.598 0.000 0.810 133 V HN 0.592 nan 8.190 nan 0.000 0.500 134 S N 0.040 115.612 115.700 -0.212 0.000 3.477 134 S HA -0.094 4.377 4.470 0.001 0.000 0.371 134 S C 0.689 175.150 174.600 -0.232 0.000 0.965 134 S CA 0.448 58.527 58.200 -0.202 0.000 1.239 134 S CB -1.497 61.632 63.200 -0.118 0.000 0.918 134 S HN 2.058 nan 8.310 nan 0.000 0.498 135 A N 0.357 122.953 122.820 -0.373 0.000 2.302 135 A HA 0.812 5.132 4.320 0.001 0.000 0.285 135 A C 1.229 178.683 177.584 -0.217 0.000 1.105 135 A CA 0.099 51.984 52.037 -0.253 0.000 0.816 135 A CB 0.582 19.492 19.000 -0.150 0.000 1.067 135 A HN 0.999 nan 8.150 nan 0.000 0.489 136 A N 1.185 124.017 122.820 0.021 0.000 1.975 136 A HA 0.416 4.736 4.320 0.001 0.000 0.215 136 A C 0.789 178.565 177.584 0.319 0.000 1.170 136 A CA 1.435 53.564 52.037 0.153 0.000 0.656 136 A CB -0.192 18.885 19.000 0.129 0.000 0.821 136 A HN 1.731 nan 8.150 nan 0.000 0.449 137 V N -0.070 119.993 119.914 0.248 0.000 2.777 137 V HA 0.574 4.695 4.120 0.001 0.000 0.306 137 V C -1.359 174.824 176.094 0.148 0.000 1.112 137 V CA -0.292 62.090 62.300 0.137 0.000 0.917 137 V CB 2.144 34.026 31.823 0.098 0.000 1.018 137 V HN 0.196 nan 8.190 nan 0.000 0.426 138 T N 5.832 120.452 114.554 0.111 0.000 2.829 138 T HA 0.734 5.085 4.350 0.001 0.000 0.280 138 T C -0.875 173.792 174.700 -0.055 0.000 0.999 138 T CA -0.425 61.751 62.100 0.127 0.000 0.983 138 T CB 1.637 70.666 68.868 0.269 0.000 0.968 138 T HN 0.642 nan 8.240 nan 0.000 0.446 139 V N 4.039 123.914 119.914 -0.066 0.000 2.588 139 V HA 0.439 4.559 4.120 0.001 0.000 0.304 139 V C -0.255 175.720 176.094 -0.199 0.000 1.042 139 V CA -0.991 61.188 62.300 -0.202 0.000 0.877 139 V CB 1.799 33.528 31.823 -0.155 0.000 0.996 139 V HN 0.750 nan 8.190 nan 0.000 0.425 140 L N 4.746 125.811 121.223 -0.264 0.000 2.331 140 L HA 0.574 4.914 4.340 0.001 0.000 0.278 140 L C 0.683 177.420 176.870 -0.221 0.000 1.106 140 L CA 0.175 54.891 54.840 -0.206 0.000 0.824 140 L CB 1.463 43.407 42.059 -0.190 0.000 1.142 140 L HN 0.915 nan 8.230 nan 0.000 0.443 141 T N -0.644 113.800 114.554 -0.184 0.000 2.907 141 T HA 0.710 5.061 4.350 0.001 0.000 0.290 141 T C -0.387 174.136 174.700 -0.295 0.000 1.066 141 T CA -0.669 61.327 62.100 -0.175 0.000 1.012 141 T CB 2.549 71.379 68.868 -0.064 0.000 1.184 141 T HN 0.560 nan 8.240 nan 0.000 0.522 142 T N -0.327 114.059 114.554 -0.281 0.000 2.769 142 T HA 0.579 4.930 4.350 0.001 0.000 0.306 142 T C -1.488 173.133 174.700 -0.133 0.000 1.400 142 T CA -0.519 61.316 62.100 -0.441 0.000 1.007 142 T CB 1.650 70.300 68.868 -0.362 0.000 1.392 142 T HN 0.900 nan 8.240 nan 0.000 0.500 143 T N 3.071 117.623 114.554 -0.003 0.000 2.794 143 T HA 0.706 5.056 4.350 0.001 0.000 0.280 143 T C -0.704 174.010 174.700 0.023 0.000 0.987 143 T CA -0.566 61.590 62.100 0.094 0.000 0.993 143 T CB 0.521 69.510 68.868 0.201 0.000 0.939 143 T HN 0.400 nan 8.240 nan 0.000 0.449 144 L N 2.588 123.826 121.223 0.024 0.000 2.365 144 L HA 0.409 4.749 4.340 0.001 0.000 0.273 144 L C 0.679 177.578 176.870 0.048 0.000 1.000 144 L CA -1.061 53.794 54.840 0.024 0.000 0.819 144 L CB 1.924 43.998 42.059 0.024 0.000 1.284 144 L HN 0.530 nan 8.230 nan 0.000 0.418 145 D N 0.577 121.003 120.400 0.043 0.000 2.106 145 D HA -0.169 4.471 4.640 0.001 0.000 0.191 145 D C 0.367 176.705 176.300 0.065 0.000 0.997 145 D CA 1.843 55.871 54.000 0.046 0.000 0.834 145 D CB 0.193 41.015 40.800 0.037 0.000 0.956 145 D HN 0.469 nan 8.370 nan 0.000 0.448 146 D N -0.337 120.113 120.400 0.085 0.000 2.427 146 D HA 0.153 4.793 4.640 0.001 0.000 0.226 146 D C -1.988 174.417 176.300 0.174 0.000 1.076 146 D CA -2.047 52.027 54.000 0.123 0.000 0.849 146 D CB 1.669 42.542 40.800 0.123 0.000 1.052 146 D HN -0.045 nan 8.370 nan 0.000 0.515 147 P HA 0.087 nan 4.420 nan 0.000 0.257 147 P C 0.252 177.679 177.300 0.213 0.000 1.325 147 P CA -0.471 62.747 63.100 0.196 0.000 0.850 147 P CB -0.438 31.335 31.700 0.123 0.000 1.324 148 F N 1.983 121.981 119.950 0.080 0.000 2.608 148 F HA 0.321 4.849 4.527 0.001 0.000 0.380 148 F C 1.530 177.251 175.800 -0.131 0.000 1.083 148 F CA 1.944 59.942 58.000 -0.004 0.000 1.266 148 F CB 0.183 39.172 39.000 -0.018 0.000 1.076 148 F HN 0.282 nan 8.300 nan 0.000 0.574 149 G N 3.547 111.604 108.800 -1.238 0.000 2.234 149 G HA2 -0.310 3.651 3.960 0.001 0.000 0.235 149 G HA3 -0.310 3.651 3.960 0.001 0.000 0.235 149 G C -0.283 174.128 174.900 -0.815 0.000 0.997 149 G CA 0.106 44.510 45.100 -1.160 0.000 0.623 149 G HN 0.720 nan 8.290 nan 0.000 0.514 150 Y N 0.457 120.610 120.300 -0.245 0.000 2.568 150 Y HA 0.574 5.125 4.550 0.001 0.000 0.327 150 Y C 1.258 177.076 175.900 -0.136 0.000 1.163 150 Y CA -0.436 57.573 58.100 -0.152 0.000 1.219 150 Y CB 1.264 39.666 38.460 -0.095 0.000 1.308 150 Y HN 0.251 nan 8.280 nan 0.000 0.503 151 G N 1.956 110.804 108.800 0.081 0.000 2.361 151 G HA2 0.255 4.215 3.960 0.001 0.000 0.260 151 G HA3 0.255 4.215 3.960 0.001 0.000 0.260 151 G C -0.457 174.457 174.900 0.024 0.000 1.261 151 G CA -0.761 44.344 45.100 0.010 0.000 0.897 151 G HN 0.322 nan 8.290 nan 0.000 0.499 152 R N 1.244 121.752 120.500 0.013 0.000 2.298 152 R HA 0.139 4.479 4.340 0.001 0.000 0.310 152 R C 0.625 176.939 176.300 0.024 0.000 1.068 152 R CA -0.608 55.506 56.100 0.022 0.000 0.957 152 R CB 0.699 31.012 30.300 0.021 0.000 1.003 152 R HN 0.614 nan 8.270 nan 0.000 0.454 153 I N 1.221 121.805 120.570 0.024 0.000 2.337 153 I HA 0.351 4.521 4.170 0.001 0.000 0.291 153 I C 0.286 176.420 176.117 0.029 0.000 1.046 153 I CA -0.842 60.472 61.300 0.025 0.000 1.324 153 I CB 0.004 38.014 38.000 0.016 0.000 1.409 153 I HN 0.438 nan 8.210 nan 0.000 0.494 154 L N 6.394 127.635 121.223 0.031 0.000 2.278 154 L HA 0.573 4.913 4.340 0.001 0.000 0.287 154 L C 0.704 177.590 176.870 0.027 0.000 1.072 154 L CA -0.217 54.640 54.840 0.028 0.000 0.819 154 L CB 0.405 42.482 42.059 0.030 0.000 1.176 154 L HN 0.701 nan 8.230 nan 0.000 0.435 155 R N 1.134 121.647 120.500 0.022 0.000 2.711 155 R HA 0.520 4.861 4.340 0.001 0.000 0.284 155 R C -0.136 176.160 176.300 -0.006 0.000 0.968 155 R CA -0.723 55.388 56.100 0.018 0.000 0.924 155 R CB 2.198 32.520 30.300 0.038 0.000 1.162 155 R HN 0.631 nan 8.270 nan 0.000 0.465 156 T N -0.773 113.771 114.554 -0.017 0.000 2.816 156 T HA 0.060 4.410 4.350 0.001 0.000 0.282 156 T C 1.007 175.642 174.700 -0.109 0.000 0.993 156 T CA -0.759 61.315 62.100 -0.043 0.000 0.994 156 T CB 0.890 69.741 68.868 -0.028 0.000 1.025 156 T HN 0.489 nan 8.240 nan 0.000 0.529 157 Q N 0.029 119.751 119.800 -0.130 0.000 2.308 157 Q HA -0.112 4.229 4.340 0.001 0.000 0.209 157 Q C 1.656 177.451 176.000 -0.342 0.000 0.985 157 Q CA 1.283 56.949 55.803 -0.228 0.000 0.881 157 Q CB -0.417 28.236 28.738 -0.143 0.000 0.917 157 Q HN 0.677 nan 8.270 nan 0.000 0.443 158 D N -0.255 120.035 120.400 -0.184 0.000 2.311 158 D HA -0.171 4.470 4.640 0.001 0.000 0.212 158 D C -0.172 176.091 176.300 -0.060 0.000 0.972 158 D CA 0.784 54.724 54.000 -0.101 0.000 0.887 158 D CB -0.021 40.763 40.800 -0.027 0.000 0.915 158 D HN 0.506 nan 8.370 nan 0.000 0.497 159 H N -2.057 117.009 119.070 -0.007 0.000 3.366 159 H HA -0.158 4.398 4.556 0.001 0.000 0.233 159 H C -0.137 175.184 175.328 -0.013 0.000 1.102 159 H CA 0.962 57.000 56.048 -0.016 0.000 1.184 159 H CB -0.942 28.805 29.762 -0.024 0.000 1.216 159 H HN 0.100 nan 8.280 nan 0.000 0.317 160 E N 1.179 121.419 120.200 0.067 0.000 2.384 160 E HA 0.164 4.515 4.350 0.001 0.000 0.266 160 E C 0.193 176.817 176.600 0.040 0.000 1.012 160 E CA -0.107 56.325 56.400 0.052 0.000 0.901 160 E CB 0.852 30.575 29.700 0.038 0.000 0.967 160 E HN 0.127 nan 8.360 nan 0.000 0.435 161 V N 5.313 125.249 119.914 0.038 0.000 2.555 161 V HA -0.014 4.106 4.120 0.001 0.000 0.286 161 V C 1.250 177.369 176.094 0.042 0.000 1.044 161 V CA 0.098 62.419 62.300 0.034 0.000 1.026 161 V CB 0.992 32.831 31.823 0.027 0.000 0.981 161 V HN 0.646 nan 8.190 nan 0.000 0.480 162 M N 3.321 122.945 119.600 0.040 0.000 2.730 162 M HA 0.489 4.970 4.480 0.001 0.000 0.258 162 M C 0.465 176.797 176.300 0.052 0.000 1.279 162 M CA 0.678 56.003 55.300 0.042 0.000 1.183 162 M CB 0.149 32.768 32.600 0.032 0.000 1.291 162 M HN 0.752 nan 8.290 nan 0.000 0.518 163 A N 0.237 123.089 122.820 0.054 0.000 2.549 163 A HA 0.666 4.986 4.320 0.001 0.000 0.291 163 A C -1.600 176.022 177.584 0.064 0.000 1.034 163 A CA -0.745 51.332 52.037 0.066 0.000 0.655 163 A CB 0.642 19.680 19.000 0.063 0.000 1.299 163 A HN 0.155 nan 8.150 nan 0.000 0.427 164 I N 0.831 121.447 120.570 0.077 0.000 2.404 164 I HA 0.584 4.754 4.170 0.001 0.000 0.293 164 I C -0.579 175.573 176.117 0.058 0.000 0.992 164 I CA -1.061 60.277 61.300 0.065 0.000 1.149 164 I CB 1.748 39.796 38.000 0.081 0.000 1.315 164 I HN 0.430 nan 8.210 nan 0.000 0.446 165 V N 6.442 126.378 119.914 0.036 0.000 2.448 165 V HA 0.377 4.497 4.120 0.001 0.000 0.295 165 V C 0.004 176.090 176.094 -0.014 0.000 1.025 165 V CA -0.426 61.892 62.300 0.030 0.000 0.859 165 V CB 1.792 33.638 31.823 0.037 0.000 0.988 165 V HN 0.626 nan 8.190 nan 0.000 0.431 166 E N 3.521 123.689 120.200 -0.052 0.000 2.392 166 E HA 0.075 4.425 4.350 0.001 0.000 0.259 166 E C 0.606 177.147 176.600 -0.099 0.000 1.108 166 E CA -0.005 56.315 56.400 -0.134 0.000 0.916 166 E CB 1.259 30.780 29.700 -0.299 0.000 0.989 166 E HN 0.819 nan 8.360 nan 0.000 0.432 167 Q N 1.598 121.300 119.800 -0.163 0.000 2.077 167 Q HA -0.195 4.146 4.340 0.001 0.000 0.206 167 Q C 1.748 177.684 176.000 -0.107 0.000 0.989 167 Q CA 2.980 58.670 55.803 -0.189 0.000 0.853 167 Q CB -0.535 27.957 28.738 -0.410 0.000 0.907 167 Q HN 0.765 nan 8.270 nan 0.000 0.418 168 T N -2.696 111.805 114.554 -0.090 0.000 2.833 168 T HA -0.128 4.222 4.350 0.001 0.000 0.269 168 T C 0.794 175.514 174.700 0.033 0.000 1.054 168 T CA 1.641 63.734 62.100 -0.012 0.000 1.135 168 T CB -0.284 68.597 68.868 0.021 0.000 0.869 168 T HN 0.365 nan 8.240 nan 0.000 0.466 169 D N 1.265 121.693 120.400 0.046 0.000 2.369 169 D HA 0.505 5.146 4.640 0.001 0.000 0.211 169 D C 0.742 177.072 176.300 0.049 0.000 1.077 169 D CA 0.155 54.200 54.000 0.075 0.000 0.842 169 D CB 0.204 41.091 40.800 0.147 0.000 0.947 169 D HN 0.655 nan 8.370 nan 0.000 0.509 170 A N 0.255 123.090 122.820 0.026 0.000 2.332 170 A HA 0.474 4.795 4.320 0.001 0.000 0.258 170 A C 0.590 178.191 177.584 0.028 0.000 1.087 170 A CA -0.271 51.780 52.037 0.023 0.000 0.802 170 A CB 0.561 19.566 19.000 0.009 0.000 1.042 170 A HN 0.075 nan 8.150 nan 0.000 0.489 171 T N 0.712 115.283 114.554 0.029 0.000 2.899 171 T HA 0.410 4.760 4.350 0.001 0.000 0.284 171 T C -1.619 173.100 174.700 0.032 0.000 1.004 171 T CA -1.584 60.533 62.100 0.029 0.000 1.043 171 T CB 0.652 69.536 68.868 0.026 0.000 1.013 171 T HN 0.359 nan 8.240 nan 0.000 0.518 172 P HA -0.122 nan 4.420 nan 0.000 0.217 172 P C 1.683 179.003 177.300 0.033 0.000 1.151 172 P CA 1.046 64.167 63.100 0.036 0.000 0.849 172 P CB 0.022 31.740 31.700 0.031 0.000 0.787 173 S N -0.923 114.793 115.700 0.028 0.000 2.348 173 S HA -0.245 4.225 4.470 0.001 0.000 0.221 173 S C 2.010 176.627 174.600 0.027 0.000 1.033 173 S CA 1.477 59.692 58.200 0.025 0.000 1.010 173 S CB -0.800 62.413 63.200 0.021 0.000 0.891 173 S HN 0.163 nan 8.310 nan 0.000 0.442 174 Q N 0.151 119.967 119.800 0.027 0.000 2.170 174 Q HA -0.019 4.321 4.340 0.001 0.000 0.203 174 Q C 2.337 178.355 176.000 0.031 0.000 0.976 174 Q CA 1.182 57.001 55.803 0.027 0.000 0.858 174 Q CB -0.147 28.606 28.738 0.026 0.000 0.907 174 Q HN 0.492 nan 8.270 nan 0.000 0.433 175 R N 0.557 121.078 120.500 0.036 0.000 2.241 175 R HA -0.134 4.207 4.340 0.001 0.000 0.224 175 R C 1.500 177.833 176.300 0.056 0.000 1.101 175 R CA 0.953 57.081 56.100 0.047 0.000 0.995 175 R CB -0.038 30.299 30.300 0.063 0.000 0.870 175 R HN 0.398 nan 8.270 nan 0.000 0.463 176 E N 0.579 120.807 120.200 0.046 0.000 2.358 176 E HA 0.008 4.359 4.350 0.001 0.000 0.195 176 E C 0.245 176.871 176.600 0.043 0.000 1.010 176 E CA 0.111 56.538 56.400 0.045 0.000 0.856 176 E CB 0.138 29.859 29.700 0.035 0.000 0.795 176 E HN 0.271 nan 8.360 nan 0.000 0.504 177 I N 1.862 122.456 120.570 0.040 0.000 2.683 177 I HA -0.077 4.094 4.170 0.001 0.000 0.286 177 I C 1.285 177.430 176.117 0.047 0.000 1.175 177 I CA 0.673 61.996 61.300 0.039 0.000 1.429 177 I CB 0.491 38.512 38.000 0.034 0.000 1.371 177 I HN 0.018 nan 8.210 nan 0.000 0.569 178 R N 3.911 124.439 120.500 0.048 0.000 2.437 178 R HA 0.147 4.487 4.340 0.001 0.000 0.257 178 R C 0.202 176.535 176.300 0.055 0.000 0.927 178 R CA -0.145 55.988 56.100 0.055 0.000 1.078 178 R CB 0.384 30.715 30.300 0.052 0.000 1.161 178 R HN 0.596 nan 8.270 nan 0.000 0.529 179 E N 2.282 122.514 120.200 0.053 0.000 2.194 179 E HA 0.211 4.561 4.350 0.001 0.000 0.284 179 E C -0.693 175.927 176.600 0.033 0.000 1.035 179 E CA -0.406 56.029 56.400 0.059 0.000 0.836 179 E CB 1.144 30.887 29.700 0.072 0.000 1.070 179 E HN -0.059 nan 8.360 nan 0.000 0.401 180 V N 1.776 121.691 119.914 0.002 0.000 3.001 180 V HA 0.470 4.590 4.120 0.001 0.000 0.314 180 V C -0.283 175.772 176.094 -0.065 0.000 1.099 180 V CA -1.340 60.952 62.300 -0.014 0.000 0.989 180 V CB 1.764 33.584 31.823 -0.006 0.000 1.040 180 V HN 0.622 nan 8.190 nan 0.000 0.434 181 N N 1.750 120.420 118.700 -0.051 0.000 2.470 181 N HA 0.438 5.179 4.740 0.001 0.000 0.268 181 N C 0.778 176.195 175.510 -0.155 0.000 1.136 181 N CA 0.467 53.460 53.050 -0.095 0.000 0.961 181 N CB 1.635 40.101 38.487 -0.036 0.000 1.067 181 N HN 1.013 nan 8.380 nan 0.000 0.468 182 A N 2.994 125.680 122.820 -0.224 0.000 2.123 182 A HA 0.257 4.578 4.320 0.001 0.000 0.214 182 A C 1.347 178.807 177.584 -0.207 0.000 1.152 182 A CA 0.691 52.585 52.037 -0.238 0.000 0.728 182 A CB -0.822 18.035 19.000 -0.239 0.000 0.814 182 A HN 1.163 nan 8.150 nan 0.000 0.464 183 G N -1.357 107.275 108.800 -0.279 0.000 2.176 183 G HA2 -0.138 3.822 3.960 0.001 0.000 0.252 183 G HA3 -0.138 3.822 3.960 0.001 0.000 0.252 183 G C -0.084 174.690 174.900 -0.210 0.000 1.024 183 G CA 0.253 45.240 45.100 -0.188 0.000 0.755 183 G HN 0.985 nan 8.290 nan 0.000 0.507 184 V N 0.229 119.869 119.914 -0.457 0.000 2.483 184 V HA 0.745 4.866 4.120 0.001 0.000 0.297 184 V C -0.408 175.447 176.094 -0.399 0.000 1.027 184 V CA -1.033 61.127 62.300 -0.234 0.000 0.855 184 V CB 1.278 33.022 31.823 -0.133 0.000 0.995 184 V HN 0.295 nan 8.190 nan 0.000 0.424 185 Y N 1.980 122.227 120.300 -0.088 0.000 2.570 185 Y HA 0.861 5.411 4.550 0.001 0.000 0.345 185 Y C 0.228 175.942 175.900 -0.310 0.000 1.014 185 Y CA -1.012 56.932 58.100 -0.261 0.000 1.063 185 Y CB 2.255 40.484 38.460 -0.385 0.000 1.272 185 Y HN 0.694 nan 8.280 nan 0.000 0.477 186 A N 1.923 124.535 122.820 -0.347 0.000 2.356 186 A HA 0.851 5.171 4.320 0.001 0.000 0.310 186 A C -1.786 175.350 177.584 -0.747 0.000 1.075 186 A CA -0.552 51.181 52.037 -0.506 0.000 0.746 186 A CB 0.517 19.144 19.000 -0.623 0.000 1.221 186 A HN 0.605 nan 8.150 nan 0.000 0.443 187 F N 0.272 120.054 119.950 -0.280 0.000 2.577 187 F HA 0.392 4.920 4.527 0.001 0.000 0.318 187 F C 0.180 176.010 175.800 0.050 0.000 1.065 187 F CA -0.440 57.529 58.000 -0.051 0.000 0.929 187 F CB 2.150 41.142 39.000 -0.015 0.000 1.237 187 F HN 0.716 nan 8.300 nan 0.000 0.468 188 D N 1.466 122.117 120.400 0.418 0.000 2.343 188 D HA 0.078 4.718 4.640 0.001 0.000 0.255 188 D C 1.014 177.432 176.300 0.197 0.000 1.187 188 D CA -0.036 54.129 54.000 0.276 0.000 0.875 188 D CB 1.175 42.101 40.800 0.210 0.000 1.136 188 D HN 0.431 nan 8.370 nan 0.000 0.469 189 I N 4.005 124.661 120.570 0.143 0.000 2.264 189 I HA -0.200 3.971 4.170 0.001 0.000 0.248 189 I C 2.033 178.174 176.117 0.041 0.000 1.111 189 I CA 1.984 63.338 61.300 0.091 0.000 1.382 189 I CB -1.167 36.912 38.000 0.132 0.000 1.060 189 I HN 0.754 nan 8.210 nan 0.000 0.418 190 A N 0.068 122.917 122.820 0.048 0.000 1.873 190 A HA 0.017 4.337 4.320 0.001 0.000 0.215 190 A C 2.578 180.173 177.584 0.018 0.000 1.186 190 A CA 1.788 53.840 52.037 0.025 0.000 0.616 190 A CB -1.324 17.691 19.000 0.025 0.000 0.823 190 A HN 0.848 nan 8.150 nan 0.000 0.442 191 A N -0.520 122.328 122.820 0.047 0.000 1.933 191 A HA -0.041 4.279 4.320 0.001 0.000 0.218 191 A C 2.122 179.713 177.584 0.011 0.000 1.175 191 A CA 1.782 53.852 52.037 0.054 0.000 0.628 191 A CB -0.578 18.489 19.000 0.113 0.000 0.814 191 A HN 0.700 nan 8.150 nan 0.000 0.444 192 L N -0.079 121.120 121.223 -0.040 0.000 2.027 192 L HA -0.112 4.229 4.340 0.001 0.000 0.206 192 L C 2.414 179.159 176.870 -0.209 0.000 1.074 192 L CA 1.911 56.593 54.840 -0.263 0.000 0.745 192 L CB -0.700 41.077 42.059 -0.470 0.000 0.898 192 L HN 0.339 nan 8.230 nan 0.000 0.433 193 R N -0.788 119.635 120.500 -0.128 0.000 2.083 193 R HA -0.175 4.166 4.340 0.001 0.000 0.237 193 R C 2.488 178.745 176.300 -0.072 0.000 1.137 193 R CA 1.595 57.637 56.100 -0.097 0.000 0.951 193 R CB -0.945 29.321 30.300 -0.057 0.000 0.851 193 R HN 0.528 nan 8.270 nan 0.000 0.434 194 S N 0.515 116.187 115.700 -0.045 0.000 2.359 194 S HA -0.212 4.258 4.470 0.001 0.000 0.223 194 S C 2.117 176.699 174.600 -0.030 0.000 1.039 194 S CA 1.569 59.753 58.200 -0.026 0.000 1.042 194 S CB -0.214 62.982 63.200 -0.006 0.000 0.915 194 S HN 0.457 nan 8.310 nan 0.000 0.439 195 A N 1.278 124.077 122.820 -0.035 0.000 1.877 195 A HA 0.038 4.359 4.320 0.001 0.000 0.216 195 A C 2.298 179.854 177.584 -0.047 0.000 1.186 195 A CA 1.585 53.605 52.037 -0.027 0.000 0.620 195 A CB -0.932 18.060 19.000 -0.013 0.000 0.822 195 A HN 0.584 nan 8.150 nan 0.000 0.443 196 L N 0.541 121.709 121.223 -0.091 0.000 2.042 196 L HA -0.227 4.113 4.340 0.001 0.000 0.210 196 L C 3.030 179.868 176.870 -0.054 0.000 1.076 196 L CA 1.665 56.450 54.840 -0.091 0.000 0.749 196 L CB -0.519 41.457 42.059 -0.139 0.000 0.893 196 L HN 0.644 nan 8.230 nan 0.000 0.432 197 S N 0.065 115.736 115.700 -0.049 0.000 2.420 197 S HA -0.225 4.245 4.470 0.001 0.000 0.237 197 S C 1.922 176.510 174.600 -0.021 0.000 1.023 197 S CA 1.124 59.305 58.200 -0.033 0.000 0.991 197 S CB -0.346 62.837 63.200 -0.029 0.000 0.792 197 S HN 0.467 nan 8.310 nan 0.000 0.488 198 R N -0.241 120.248 120.500 -0.018 0.000 2.362 198 R HA 0.362 4.703 4.340 0.001 0.000 0.227 198 R C -0.465 175.830 176.300 -0.010 0.000 0.905 198 R CA -0.485 55.608 56.100 -0.010 0.000 1.067 198 R CB -0.160 30.138 30.300 -0.005 0.000 1.078 198 R HN 0.274 nan 8.270 nan 0.000 0.516 199 L N 1.610 122.826 121.223 -0.011 0.000 2.554 199 L HA -0.079 4.261 4.340 0.001 0.000 0.293 199 L C 0.667 177.522 176.870 -0.025 0.000 1.252 199 L CA 0.887 55.721 54.840 -0.011 0.000 0.862 199 L CB 0.576 42.632 42.059 -0.005 0.000 1.113 199 L HN 0.068 nan 8.230 nan 0.000 0.510 200 S N 0.022 115.694 115.700 -0.045 0.000 2.542 200 S HA 0.517 4.987 4.470 0.001 0.000 0.293 200 S C 0.356 174.883 174.600 -0.122 0.000 1.089 200 S CA -0.025 58.136 58.200 -0.065 0.000 0.961 200 S CB 1.682 64.851 63.200 -0.052 0.000 1.062 200 S HN 0.636 nan 8.310 nan 0.000 0.483 201 S N 1.862 117.491 115.700 -0.120 0.000 2.660 201 S HA 0.152 4.623 4.470 0.001 0.000 0.227 201 S C 0.393 174.891 174.600 -0.169 0.000 0.948 201 S CA -0.276 57.824 58.200 -0.167 0.000 0.948 201 S CB -0.833 62.297 63.200 -0.116 0.000 0.779 201 S HN 0.685 nan 8.310 nan 0.000 0.487 202 N N 3.629 122.244 118.700 -0.142 0.000 3.103 202 N HA 0.208 4.949 4.740 0.001 0.000 0.305 202 N C -0.943 174.486 175.510 -0.134 0.000 1.232 202 N CA 0.050 53.035 53.050 -0.108 0.000 1.190 202 N CB -0.602 37.843 38.487 -0.069 0.000 1.461 202 N HN 0.447 nan 8.380 nan 0.000 0.538 203 N N -0.466 118.132 118.700 -0.171 0.000 2.577 203 N HA 0.325 5.065 4.740 0.001 0.000 0.285 203 N C 0.586 176.067 175.510 -0.048 0.000 1.309 203 N CA -0.499 52.448 53.050 -0.171 0.000 0.798 203 N CB 1.115 39.313 38.487 -0.481 0.000 1.463 203 N HN 0.183 nan 8.380 nan 0.000 0.518 204 A N 0.237 123.080 122.820 0.038 0.000 1.972 204 A HA -0.162 4.158 4.320 0.001 0.000 0.219 204 A C 1.483 179.104 177.584 0.061 0.000 1.169 204 A CA 1.587 53.659 52.037 0.058 0.000 0.635 204 A CB -0.307 18.744 19.000 0.086 0.000 0.810 204 A HN 0.678 nan 8.150 nan 0.000 0.446 205 Q N -1.569 118.294 119.800 0.105 0.000 2.356 205 Q HA 0.070 4.410 4.340 0.001 0.000 0.205 205 Q C -0.427 175.580 176.000 0.013 0.000 0.901 205 Q CA -0.102 55.761 55.803 0.099 0.000 0.938 205 Q CB 0.437 29.315 28.738 0.233 0.000 1.081 205 Q HN 0.502 nan 8.270 nan 0.000 0.517 206 Q N 0.989 120.747 119.800 -0.070 0.000 2.453 206 Q HA -0.195 4.145 4.340 0.001 0.000 0.330 206 Q C -0.986 174.948 176.000 -0.111 0.000 1.417 206 Q CA 1.196 56.935 55.803 -0.107 0.000 0.902 206 Q CB -1.386 27.316 28.738 -0.060 0.000 1.154 206 Q HN 0.559 nan 8.270 nan 0.000 0.395 207 E N -0.570 119.517 120.200 -0.188 0.000 2.450 207 E HA 0.611 4.962 4.350 0.001 0.000 0.272 207 E C -0.246 176.242 176.600 -0.186 0.000 0.967 207 E CA -1.127 55.210 56.400 -0.105 0.000 0.818 207 E CB 1.053 30.800 29.700 0.079 0.000 1.401 207 E HN 0.125 nan 8.360 nan 0.000 0.450 208 L N 2.562 123.768 121.223 -0.028 0.000 2.287 208 L HA 0.313 4.654 4.340 0.001 0.000 0.280 208 L C -1.018 175.945 176.870 0.155 0.000 1.055 208 L CA -0.694 54.148 54.840 0.004 0.000 0.863 208 L CB -0.126 41.960 42.059 0.046 0.000 1.245 208 L HN 0.316 nan 8.230 nan 0.000 0.432 209 Y N 3.337 123.649 120.300 0.020 0.000 2.531 209 Y HA -0.016 4.535 4.550 0.001 0.000 0.347 209 Y C 0.891 176.803 175.900 0.020 0.000 1.024 209 Y CA -0.746 57.370 58.100 0.027 0.000 1.306 209 Y CB 0.732 39.212 38.460 0.033 0.000 1.149 209 Y HN 0.501 nan 8.280 nan 0.000 0.527 210 L N 3.306 124.620 121.223 0.152 0.000 2.129 210 L HA -0.228 4.112 4.340 0.001 0.000 0.212 210 L C 2.139 179.052 176.870 0.072 0.000 1.087 210 L CA 2.571 57.431 54.840 0.032 0.000 0.757 210 L CB -0.970 41.050 42.059 -0.065 0.000 0.896 210 L HN 0.752 nan 8.230 nan 0.000 0.434 211 T N -4.522 110.119 114.554 0.144 0.000 2.881 211 T HA -0.170 4.180 4.350 0.001 0.000 0.270 211 T C 1.612 176.418 174.700 0.176 0.000 1.068 211 T CA 1.143 63.352 62.100 0.182 0.000 1.131 211 T CB -0.680 68.262 68.868 0.123 0.000 0.871 211 T HN 0.333 nan 8.240 nan 0.000 0.479 212 D N 0.998 121.509 120.400 0.185 0.000 2.263 212 D HA -0.024 4.616 4.640 0.001 0.000 0.208 212 D C 2.114 178.484 176.300 0.118 0.000 0.971 212 D CA 0.377 54.467 54.000 0.150 0.000 0.867 212 D CB -0.349 40.529 40.800 0.131 0.000 0.929 212 D HN 0.300 nan 8.370 nan 0.000 0.492 213 V N 1.175 121.160 119.914 0.118 0.000 2.490 213 V HA -0.228 3.893 4.120 0.001 0.000 0.250 213 V C 2.723 178.916 176.094 0.165 0.000 1.061 213 V CA 1.496 63.867 62.300 0.118 0.000 1.064 213 V CB -0.536 31.347 31.823 0.100 0.000 0.670 213 V HN 0.322 nan 8.190 nan 0.000 0.461 214 I N -0.796 119.885 120.570 0.184 0.000 2.676 214 I HA 0.084 4.254 4.170 0.001 0.000 0.259 214 I C 2.257 178.447 176.117 0.122 0.000 1.194 214 I CA 1.417 62.819 61.300 0.169 0.000 1.473 214 I CB -1.023 37.079 38.000 0.170 0.000 1.096 214 I HN 0.337 nan 8.210 nan 0.000 0.443 215 A N 1.626 124.511 122.820 0.108 0.000 1.874 215 A HA 0.008 4.328 4.320 0.001 0.000 0.214 215 A C 2.595 180.223 177.584 0.072 0.000 1.189 215 A CA 2.063 54.150 52.037 0.083 0.000 0.615 215 A CB -1.147 17.899 19.000 0.078 0.000 0.830 215 A HN 1.281 nan 8.150 nan 0.000 0.443 216 I N -1.833 118.780 120.570 0.072 0.000 2.286 216 I HA -0.084 4.086 4.170 0.001 0.000 0.248 216 I C 2.148 178.302 176.117 0.061 0.000 1.115 216 I CA 1.678 63.011 61.300 0.056 0.000 1.392 216 I CB -1.671 36.357 38.000 0.046 0.000 1.065 216 I HN 0.387 nan 8.210 nan 0.000 0.418 217 L N -0.655 120.617 121.223 0.082 0.000 2.240 217 L HA 0.018 4.359 4.340 0.001 0.000 0.211 217 L C 3.091 180.007 176.870 0.076 0.000 1.106 217 L CA 0.976 55.868 54.840 0.087 0.000 0.793 217 L CB -0.804 41.330 42.059 0.125 0.000 0.927 217 L HN 0.258 nan 8.230 nan 0.000 0.446 218 R N -0.020 120.525 120.500 0.074 0.000 2.070 218 R HA -0.152 4.188 4.340 0.001 0.000 0.232 218 R C 2.528 178.857 176.300 0.048 0.000 1.138 218 R CA 1.817 57.953 56.100 0.061 0.000 0.936 218 R CB -0.708 29.628 30.300 0.059 0.000 0.839 218 R HN 0.230 nan 8.270 nan 0.000 0.429 219 S N 0.942 116.669 115.700 0.045 0.000 2.442 219 S HA -0.140 4.330 4.470 0.001 0.000 0.236 219 S C 1.017 175.636 174.600 0.033 0.000 1.007 219 S CA 1.466 59.687 58.200 0.036 0.000 0.965 219 S CB -0.125 63.095 63.200 0.034 0.000 0.773 219 S HN 0.186 nan 8.310 nan 0.000 0.504 220 D N 0.589 121.011 120.400 0.038 0.000 2.363 220 D HA 0.202 4.842 4.640 0.001 0.000 0.220 220 D C 1.457 177.776 176.300 0.032 0.000 0.994 220 D CA 0.928 54.949 54.000 0.034 0.000 0.890 220 D CB -0.348 40.475 40.800 0.040 0.000 0.906 220 D HN 0.564 nan 8.370 nan 0.000 0.530 221 G N 0.675 109.495 108.800 0.034 0.000 2.160 221 G HA2 -0.284 3.676 3.960 0.001 0.000 0.251 221 G HA3 -0.284 3.676 3.960 0.001 0.000 0.251 221 G C 0.278 175.198 174.900 0.033 0.000 1.008 221 G CA -0.012 45.106 45.100 0.030 0.000 0.724 221 G HN 0.257 nan 8.290 nan 0.000 0.514 222 Q N -0.066 119.760 119.800 0.043 0.000 2.256 222 Q HA 0.420 4.761 4.340 0.001 0.000 0.232 222 Q C 0.261 176.292 176.000 0.051 0.000 0.965 222 Q CA -0.033 55.798 55.803 0.048 0.000 0.908 222 Q CB 0.668 29.445 28.738 0.065 0.000 1.209 222 Q HN 0.223 nan 8.270 nan 0.000 0.489 223 T N 1.312 115.892 114.554 0.043 0.000 2.752 223 T HA 0.258 4.609 4.350 0.001 0.000 0.295 223 T C -0.189 174.557 174.700 0.077 0.000 0.923 223 T CA -0.236 61.890 62.100 0.044 0.000 1.112 223 T CB 0.128 68.999 68.868 0.004 0.000 0.884 223 T HN 0.192 nan 8.240 nan 0.000 0.525 224 V N 5.272 125.245 119.914 0.098 0.000 2.409 224 V HA 0.350 4.470 4.120 0.001 0.000 0.291 224 V C -0.170 176.020 176.094 0.160 0.000 1.020 224 V CA -0.806 61.567 62.300 0.122 0.000 0.848 224 V CB 1.336 33.220 31.823 0.101 0.000 0.990 224 V HN 0.834 nan 8.190 nan 0.000 0.430 225 H N 3.728 122.822 119.070 0.041 0.000 2.744 225 H HA 0.711 5.267 4.556 0.001 0.000 0.339 225 H C -0.537 174.806 175.328 0.025 0.000 1.004 225 H CA -0.352 55.715 56.048 0.031 0.000 1.257 225 H CB 2.015 31.791 29.762 0.024 0.000 1.552 225 H HN 0.767 nan 8.280 nan 0.000 0.522 226 A N 3.501 126.121 122.820 -0.335 0.000 2.303 226 A HA 0.458 4.779 4.320 0.001 0.000 0.317 226 A C -0.421 176.935 177.584 -0.380 0.000 1.149 226 A CA -0.556 51.328 52.037 -0.256 0.000 0.822 226 A CB 1.203 20.121 19.000 -0.137 0.000 1.131 226 A HN 0.524 nan 8.150 nan 0.000 0.493 227 S N 0.480 116.076 115.700 -0.173 0.000 2.756 227 S HA 0.312 4.782 4.470 0.001 0.000 0.303 227 S C -0.808 173.768 174.600 -0.040 0.000 1.135 227 S CA -0.543 57.603 58.200 -0.089 0.000 1.066 227 S CB 0.156 63.355 63.200 -0.003 0.000 1.008 227 S HN 0.781 nan 8.310 nan 0.000 0.482 228 H N 4.358 123.367 119.070 -0.101 0.000 2.722 228 H HA 0.375 4.931 4.556 0.001 0.000 0.328 228 H C -0.840 174.446 175.328 -0.070 0.000 1.067 228 H CA 0.115 56.111 56.048 -0.087 0.000 1.447 228 H CB 0.789 30.502 29.762 -0.083 0.000 1.469 228 H HN 0.348 nan 8.280 nan 0.000 0.544 229 V N 6.879 126.525 119.914 -0.446 0.000 2.347 229 V HA 0.005 4.125 4.120 0.001 0.000 0.280 229 V C 0.649 176.529 176.094 -0.356 0.000 1.021 229 V CA -0.627 61.499 62.300 -0.291 0.000 0.847 229 V CB 1.467 33.152 31.823 -0.230 0.000 0.990 229 V HN 0.835 nan 8.190 nan 0.000 0.444 230 D N 2.050 122.379 120.400 -0.118 0.000 2.091 230 D HA -0.083 4.557 4.640 0.001 0.000 0.199 230 D C 1.061 177.322 176.300 -0.064 0.000 0.980 230 D CA 1.119 55.102 54.000 -0.028 0.000 0.831 230 D CB 0.061 40.888 40.800 0.045 0.000 0.987 230 D HN 0.634 nan 8.370 nan 0.000 0.460 231 D N 0.703 121.062 120.400 -0.067 0.000 2.541 231 D HA 0.037 4.677 4.640 0.001 0.000 0.231 231 D C 0.666 176.911 176.300 -0.092 0.000 1.163 231 D CA 0.052 54.013 54.000 -0.065 0.000 1.077 231 D CB 0.054 40.821 40.800 -0.054 0.000 1.110 231 D HN -0.190 nan 8.370 nan 0.000 0.499 232 S N 1.558 117.198 115.700 -0.100 0.000 2.420 232 S HA -0.228 4.242 4.470 0.001 0.000 0.237 232 S C 2.053 176.586 174.600 -0.112 0.000 1.023 232 S CA 0.972 59.095 58.200 -0.127 0.000 0.991 232 S CB -0.027 63.106 63.200 -0.112 0.000 0.792 232 S HN 0.641 nan 8.310 nan 0.000 0.488 233 A N 1.708 124.480 122.820 -0.081 0.000 1.940 233 A HA -0.028 4.293 4.320 0.001 0.000 0.219 233 A C 2.052 179.591 177.584 -0.075 0.000 1.176 233 A CA 1.113 53.109 52.037 -0.069 0.000 0.631 233 A CB -0.724 18.245 19.000 -0.052 0.000 0.814 233 A HN 0.490 nan 8.150 nan 0.000 0.446 234 L N -1.057 120.119 121.223 -0.078 0.000 2.127 234 L HA -0.123 4.218 4.340 0.001 0.000 0.211 234 L C 1.875 178.694 176.870 -0.084 0.000 1.089 234 L CA 0.873 55.669 54.840 -0.074 0.000 0.757 234 L CB -0.306 41.709 42.059 -0.072 0.000 0.899 234 L HN 0.254 nan 8.230 nan 0.000 0.434 235 V N -0.368 119.480 119.914 -0.111 0.000 3.483 235 V HA 0.288 4.408 4.120 0.001 0.000 0.301 235 V C 0.933 176.937 176.094 -0.150 0.000 1.389 235 V CA -0.010 62.210 62.300 -0.132 0.000 1.101 235 V CB 0.295 32.016 31.823 -0.170 0.000 0.971 235 V HN 0.266 nan 8.190 nan 0.000 0.434 236 A N 0.161 122.906 122.820 -0.125 0.000 2.401 236 A HA 0.671 4.992 4.320 0.001 0.000 0.259 236 A C 0.607 178.153 177.584 -0.064 0.000 1.103 236 A CA 0.491 52.456 52.037 -0.120 0.000 0.789 236 A CB 0.402 19.355 19.000 -0.078 0.000 1.035 236 A HN 0.457 nan 8.150 nan 0.000 0.491 237 G N -0.159 108.620 108.800 -0.036 0.000 2.471 237 G HA2 0.532 4.492 3.960 0.001 0.000 0.332 237 G HA3 0.532 4.492 3.960 0.001 0.000 0.332 237 G C -1.014 173.932 174.900 0.076 0.000 1.176 237 G CA -0.480 44.640 45.100 0.034 0.000 0.949 237 G HN 0.787 nan 8.290 nan 0.000 0.488 238 V N 1.885 121.836 119.914 0.062 0.000 2.311 238 V HA 0.225 4.345 4.120 0.001 0.000 0.275 238 V C 0.004 176.122 176.094 0.040 0.000 1.022 238 V CA -0.717 61.612 62.300 0.049 0.000 0.830 238 V CB 1.119 32.957 31.823 0.026 0.000 1.012 238 V HN 0.708 nan 8.190 nan 0.000 0.452 239 N N 3.347 122.074 118.700 0.045 0.000 2.348 239 N HA 0.084 4.825 4.740 0.001 0.000 0.183 239 N C 0.356 175.859 175.510 -0.010 0.000 1.094 239 N CA 0.246 53.306 53.050 0.017 0.000 0.885 239 N CB 0.485 38.980 38.487 0.013 0.000 1.065 239 N HN 0.864 nan 8.380 nan 0.000 0.472 240 N N -1.350 117.346 118.700 -0.007 0.000 3.157 240 N HA 0.285 5.026 4.740 0.001 0.000 0.291 240 N C 0.091 175.584 175.510 -0.029 0.000 1.515 240 N CA -0.642 52.394 53.050 -0.023 0.000 0.807 240 N CB 1.094 39.581 38.487 0.000 0.000 1.672 240 N HN -0.313 nan 8.380 nan 0.000 0.592 241 R N -0.522 119.961 120.500 -0.027 0.000 2.275 241 R HA 0.148 4.489 4.340 0.001 0.000 0.199 241 R C 0.998 177.305 176.300 0.011 0.000 0.989 241 R CA 0.329 56.419 56.100 -0.016 0.000 1.016 241 R CB -0.391 29.904 30.300 -0.008 0.000 0.918 241 R HN 0.346 nan 8.270 nan 0.000 0.473 242 V N 1.636 121.560 119.914 0.018 0.000 2.307 242 V HA -0.257 3.863 4.120 0.001 0.000 0.245 242 V C 2.179 178.298 176.094 0.041 0.000 1.045 242 V CA 1.785 64.103 62.300 0.030 0.000 1.024 242 V CB -0.380 31.462 31.823 0.031 0.000 0.651 242 V HN 0.323 nan 8.190 nan 0.000 0.449 243 Q N -0.684 119.142 119.800 0.043 0.000 2.167 243 Q HA -0.179 4.161 4.340 0.001 0.000 0.202 243 Q C 2.191 178.218 176.000 0.044 0.000 0.970 243 Q CA 1.341 57.176 55.803 0.053 0.000 0.855 243 Q CB -0.329 28.452 28.738 0.071 0.000 0.911 243 Q HN 0.498 nan 8.270 nan 0.000 0.438 244 L N 1.032 122.274 121.223 0.031 0.000 1.971 244 L HA -0.218 4.122 4.340 0.001 0.000 0.215 244 L C 2.205 179.109 176.870 0.056 0.000 1.072 244 L CA 2.356 57.217 54.840 0.035 0.000 0.758 244 L CB -0.947 41.123 42.059 0.019 0.000 0.889 244 L HN 0.168 nan 8.230 nan 0.000 0.433 245 A N -1.084 121.771 122.820 0.058 0.000 1.933 245 A HA -0.218 4.102 4.320 0.001 0.000 0.218 245 A C 2.114 179.767 177.584 0.116 0.000 1.175 245 A CA 1.742 53.830 52.037 0.085 0.000 0.628 245 A CB -0.644 18.397 19.000 0.069 0.000 0.814 245 A HN 0.653 nan 8.150 nan 0.000 0.444 246 E N -0.131 120.118 120.200 0.082 0.000 2.077 246 E HA -0.134 4.216 4.350 0.001 0.000 0.193 246 E C 1.921 178.559 176.600 0.062 0.000 0.989 246 E CA 1.118 57.561 56.400 0.072 0.000 0.800 246 E CB -0.270 29.462 29.700 0.053 0.000 0.746 246 E HN 0.607 nan 8.360 nan 0.000 0.452 247 L N 0.495 121.749 121.223 0.052 0.000 2.109 247 L HA -0.118 4.223 4.340 0.001 0.000 0.207 247 L C 2.606 179.506 176.870 0.051 0.000 1.086 247 L CA 0.754 55.611 54.840 0.027 0.000 0.760 247 L CB -0.497 41.566 42.059 0.006 0.000 0.910 247 L HN 0.157 nan 8.230 nan 0.000 0.437 248 A N -0.534 122.351 122.820 0.108 0.000 1.883 248 A HA -0.279 4.042 4.320 0.001 0.000 0.217 248 A C 2.556 180.308 177.584 0.279 0.000 1.186 248 A CA 2.278 54.442 52.037 0.212 0.000 0.624 248 A CB -0.832 18.316 19.000 0.247 0.000 0.822 248 A HN 0.382 nan 8.150 nan 0.000 0.444 249 S N -0.719 115.132 115.700 0.252 0.000 2.370 249 S HA -0.225 4.246 4.470 0.001 0.000 0.226 249 S C 2.077 176.654 174.600 -0.039 0.000 1.033 249 S CA 1.968 60.229 58.200 0.101 0.000 1.011 249 S CB -0.320 62.950 63.200 0.118 0.000 0.852 249 S HN 0.634 nan 8.310 nan 0.000 0.457 250 E N 0.753 120.952 120.200 -0.001 0.000 2.072 250 E HA -0.059 4.291 4.350 0.001 0.000 0.190 250 E C 1.935 178.509 176.600 -0.043 0.000 0.982 250 E CA 1.070 57.451 56.400 -0.031 0.000 0.803 250 E CB -0.722 28.966 29.700 -0.020 0.000 0.755 250 E HN 0.438 nan 8.360 nan 0.000 0.453 251 L N 1.655 122.862 121.223 -0.027 0.000 2.012 251 L HA -0.182 4.159 4.340 0.001 0.000 0.210 251 L C 2.033 178.885 176.870 -0.030 0.000 1.073 251 L CA 2.269 57.090 54.840 -0.032 0.000 0.748 251 L CB -1.120 40.919 42.059 -0.034 0.000 0.891 251 L HN 0.334 nan 8.230 nan 0.000 0.431 252 N N -0.406 118.268 118.700 -0.043 0.000 2.149 252 N HA -0.239 4.502 4.740 0.001 0.000 0.188 252 N C 2.027 177.441 175.510 -0.159 0.000 1.019 252 N CA 1.287 54.262 53.050 -0.126 0.000 0.857 252 N CB 0.002 38.257 38.487 -0.388 0.000 0.997 252 N HN 0.426 nan 8.380 nan 0.000 0.426 253 R N 0.382 120.789 120.500 -0.156 0.000 2.096 253 R HA -0.039 4.302 4.340 0.001 0.000 0.235 253 R C 2.399 178.653 176.300 -0.078 0.000 1.127 253 R CA 1.274 57.299 56.100 -0.126 0.000 0.968 253 R CB -0.063 30.175 30.300 -0.105 0.000 0.861 253 R HN 0.286 nan 8.270 nan 0.000 0.440 254 R N -0.254 120.210 120.500 -0.060 0.000 2.090 254 R HA -0.040 4.300 4.340 0.001 0.000 0.228 254 R C 2.265 178.544 176.300 -0.034 0.000 1.110 254 R CA 1.043 57.115 56.100 -0.046 0.000 0.973 254 R CB -0.198 30.075 30.300 -0.044 0.000 0.869 254 R HN 0.048 nan 8.270 nan 0.000 0.440 255 V N 0.470 120.376 119.914 -0.013 0.000 2.307 255 V HA -0.202 3.918 4.120 0.001 0.000 0.245 255 V C 2.293 178.462 176.094 0.124 0.000 1.045 255 V CA 1.529 63.851 62.300 0.037 0.000 1.024 255 V CB -0.256 31.616 31.823 0.082 0.000 0.651 255 V HN 0.110 nan 8.190 nan 0.000 0.449 256 V N 0.357 120.309 119.914 0.064 0.000 2.295 256 V HA -0.263 3.858 4.120 0.001 0.000 0.246 256 V C 2.742 178.863 176.094 0.046 0.000 1.049 256 V CA 2.006 64.342 62.300 0.060 0.000 1.024 256 V CB -1.230 30.558 31.823 -0.058 0.000 0.648 256 V HN 0.552 nan 8.190 nan 0.000 0.447 257 A N 0.242 123.058 122.820 -0.007 0.000 1.873 257 A HA -0.246 4.075 4.320 0.001 0.000 0.218 257 A C 2.470 180.042 177.584 -0.021 0.000 1.193 257 A CA 2.649 54.674 52.037 -0.020 0.000 0.629 257 A CB -1.057 17.921 19.000 -0.036 0.000 0.826 257 A HN 0.617 nan 8.150 nan 0.000 0.447 258 A N -0.845 121.944 122.820 -0.052 0.000 1.892 258 A HA -0.249 4.072 4.320 0.001 0.000 0.218 258 A C 1.928 179.439 177.584 -0.122 0.000 1.188 258 A CA 2.132 54.102 52.037 -0.113 0.000 0.631 258 A CB -1.096 17.793 19.000 -0.184 0.000 0.822 258 A HN 0.742 nan 8.150 nan 0.000 0.447 259 H N -0.842 118.207 119.070 -0.035 0.000 2.387 259 H HA -0.133 4.424 4.556 0.001 0.000 0.299 259 H C 2.367 177.672 175.328 -0.038 0.000 1.099 259 H CA 1.887 57.914 56.048 -0.035 0.000 1.315 259 H CB -0.042 29.698 29.762 -0.038 0.000 1.380 259 H HN 0.628 nan 8.280 nan 0.000 0.513 260 Q N 0.073 119.918 119.800 0.075 0.000 2.079 260 Q HA -0.105 4.236 4.340 0.001 0.000 0.200 260 Q C 2.211 178.212 176.000 0.002 0.000 0.974 260 Q CA 1.002 56.817 55.803 0.021 0.000 0.840 260 Q CB 0.030 28.767 28.738 -0.003 0.000 0.898 260 Q HN 0.493 nan 8.270 nan 0.000 0.430 261 L N -0.158 121.059 121.223 -0.009 0.000 2.201 261 L HA -0.081 4.260 4.340 0.001 0.000 0.212 261 L C 1.915 178.774 176.870 -0.019 0.000 1.105 261 L CA 0.562 55.390 54.840 -0.020 0.000 0.775 261 L CB -0.273 41.767 42.059 -0.030 0.000 0.913 261 L HN 0.145 nan 8.230 nan 0.000 0.440 262 A N -0.446 122.364 122.820 -0.016 0.000 2.302 262 A HA 0.380 4.700 4.320 0.001 0.000 0.219 262 A C 1.453 179.039 177.584 0.004 0.000 1.243 262 A CA 0.604 52.633 52.037 -0.012 0.000 0.856 262 A CB -0.338 18.648 19.000 -0.023 0.000 0.893 262 A HN 0.485 nan 8.150 nan 0.000 0.491 263 G N -1.445 107.358 108.800 0.004 0.000 2.141 263 G HA2 -0.118 3.842 3.960 0.001 0.000 0.195 263 G HA3 -0.118 3.842 3.960 0.001 0.000 0.195 263 G C -0.168 174.734 174.900 0.002 0.000 1.012 263 G CA -0.033 45.067 45.100 0.000 0.000 0.696 263 G HN 0.790 nan 8.290 nan 0.000 0.508 264 V N 1.069 120.990 119.914 0.011 0.000 2.384 264 V HA 0.567 4.687 4.120 0.001 0.000 0.287 264 V C 0.711 176.788 176.094 -0.028 0.000 1.020 264 V CA -0.299 61.998 62.300 -0.004 0.000 0.850 264 V CB 1.725 33.558 31.823 0.016 0.000 0.987 264 V HN 0.290 nan 8.190 nan 0.000 0.436 265 T N 5.096 119.618 114.554 -0.055 0.000 2.737 265 T HA 0.320 4.670 4.350 0.001 0.000 0.296 265 T C -0.064 174.573 174.700 -0.105 0.000 0.922 265 T CA 0.002 62.057 62.100 -0.074 0.000 1.079 265 T CB 0.640 69.456 68.868 -0.087 0.000 0.892 265 T HN 0.375 nan 8.240 nan 0.000 0.514 266 V N 6.157 126.018 119.914 -0.089 0.000 2.311 266 V HA 0.120 4.241 4.120 0.001 0.000 0.275 266 V C 1.416 177.453 176.094 -0.095 0.000 1.022 266 V CA -0.403 61.835 62.300 -0.103 0.000 0.830 266 V CB 1.178 32.949 31.823 -0.087 0.000 1.012 266 V HN 0.791 nan 8.190 nan 0.000 0.452 267 V N 2.445 122.289 119.914 -0.116 0.000 2.287 267 V HA -0.127 3.993 4.120 0.001 0.000 0.248 267 V C 1.005 177.072 176.094 -0.045 0.000 1.053 267 V CA 2.031 64.287 62.300 -0.074 0.000 1.027 267 V CB -0.157 31.633 31.823 -0.055 0.000 0.646 267 V HN 0.956 nan 8.190 nan 0.000 0.447 268 D N -1.301 119.070 120.400 -0.047 0.000 2.378 268 D HA 0.284 4.924 4.640 0.001 0.000 0.265 268 D C -2.052 174.203 176.300 -0.074 0.000 1.229 268 D CA -2.153 51.822 54.000 -0.041 0.000 0.914 268 D CB 1.734 42.527 40.800 -0.012 0.000 1.140 268 D HN 0.049 nan 8.370 nan 0.000 0.516 269 P HA -0.073 nan 4.420 nan 0.000 0.218 269 P C 0.983 178.161 177.300 -0.205 0.000 1.148 269 P CA 0.891 63.908 63.100 -0.137 0.000 0.822 269 P CB 0.312 31.944 31.700 -0.113 0.000 0.784 270 A N -1.914 120.814 122.820 -0.154 0.000 2.209 270 A HA 0.007 4.327 4.320 0.001 0.000 0.212 270 A C 1.768 179.251 177.584 -0.168 0.000 1.158 270 A CA 1.474 53.408 52.037 -0.171 0.000 0.742 270 A CB -0.952 18.002 19.000 -0.077 0.000 0.790 270 A HN 0.129 nan 8.150 nan 0.000 0.472 271 T N -0.551 113.921 114.554 -0.135 0.000 3.209 271 T HA 0.182 4.532 4.350 0.001 0.000 0.295 271 T C -0.278 174.422 174.700 0.001 0.000 0.977 271 T CA 0.148 62.246 62.100 -0.002 0.000 0.922 271 T CB 0.232 69.127 68.868 0.045 0.000 1.152 271 T HN 0.217 nan 8.240 nan 0.000 0.527 272 T N 1.727 116.177 114.554 -0.173 0.000 2.833 272 T HA 0.410 4.761 4.350 0.001 0.000 0.297 272 T C -1.207 173.348 174.700 -0.242 0.000 1.015 272 T CA -0.470 61.564 62.100 -0.109 0.000 0.963 272 T CB 0.579 69.382 68.868 -0.108 0.000 0.955 272 T HN 0.216 nan 8.240 nan 0.000 0.449 273 W N 3.872 125.164 121.300 -0.014 0.000 2.349 273 W HA 0.656 5.317 4.660 0.001 0.000 0.309 273 W C -0.266 176.241 176.519 -0.020 0.000 1.083 273 W CA -0.860 56.481 57.345 -0.008 0.000 1.224 273 W CB 0.691 30.152 29.460 0.001 0.000 1.256 273 W HN 0.421 nan 8.180 nan 0.000 0.461 274 I N 4.217 124.883 120.570 0.160 0.000 2.439 274 I HA 0.148 4.319 4.170 0.001 0.000 0.285 274 I C -0.261 175.931 176.117 0.126 0.000 1.021 274 I CA -0.991 60.359 61.300 0.083 0.000 1.091 274 I CB 1.142 39.127 38.000 -0.026 0.000 1.242 274 I HN 0.206 nan 8.210 nan 0.000 0.439 275 D N 3.679 124.146 120.400 0.113 0.000 2.361 275 D HA 0.021 4.661 4.640 0.001 0.000 0.239 275 D C 1.442 177.804 176.300 0.103 0.000 1.200 275 D CA -0.074 53.991 54.000 0.110 0.000 0.915 275 D CB 1.579 42.424 40.800 0.074 0.000 1.170 275 D HN 0.416 nan 8.370 nan 0.000 0.444 276 V N -1.306 118.664 119.914 0.093 0.000 2.759 276 V HA -0.114 4.007 4.120 0.001 0.000 0.256 276 V C 0.938 177.065 176.094 0.055 0.000 1.080 276 V CA 1.338 63.685 62.300 0.078 0.000 1.101 276 V CB -0.205 31.655 31.823 0.063 0.000 0.698 276 V HN 0.287 nan 8.190 nan 0.000 0.477 277 D N 0.361 120.784 120.400 0.039 0.000 2.339 277 D HA 0.206 4.846 4.640 0.001 0.000 0.217 277 D C 0.785 177.114 176.300 0.049 0.000 1.050 277 D CA 0.228 54.246 54.000 0.030 0.000 0.856 277 D CB 0.687 41.492 40.800 0.009 0.000 0.922 277 D HN 0.406 nan 8.370 nan 0.000 0.518 278 V N 1.741 121.696 119.914 0.068 0.000 2.740 278 V HA 0.134 4.254 4.120 0.001 0.000 0.303 278 V C 0.844 177.006 176.094 0.114 0.000 1.054 278 V CA 0.193 62.526 62.300 0.056 0.000 1.106 278 V CB 1.264 33.096 31.823 0.014 0.000 0.957 278 V HN 0.199 nan 8.190 nan 0.000 0.486 279 T N 3.405 118.003 114.554 0.074 0.000 2.863 279 T HA 0.818 5.168 4.350 0.001 0.000 0.285 279 T C -0.894 173.836 174.700 0.051 0.000 1.009 279 T CA -0.642 61.524 62.100 0.110 0.000 0.989 279 T CB 1.479 70.386 68.868 0.065 0.000 1.004 279 T HN 0.363 nan 8.240 nan 0.000 0.455 280 I N 1.671 122.293 120.570 0.087 0.000 2.569 280 I HA 0.581 4.752 4.170 0.001 0.000 0.290 280 I C 0.820 176.965 176.117 0.048 0.000 1.088 280 I CA -1.180 60.131 61.300 0.018 0.000 1.047 280 I CB 2.231 40.182 38.000 -0.082 0.000 1.237 280 I HN 0.937 nan 8.210 nan 0.000 0.421 281 G N 4.090 112.899 108.800 0.014 0.000 2.562 281 G HA2 0.450 4.411 3.960 0.001 0.000 0.275 281 G HA3 0.450 4.411 3.960 0.001 0.000 0.275 281 G C -0.193 174.711 174.900 0.007 0.000 1.196 281 G CA -0.611 44.497 45.100 0.012 0.000 0.908 281 G HN 0.563 nan 8.290 nan 0.000 0.524 282 R N -0.151 120.352 120.500 0.005 0.000 2.679 282 R HA 0.117 4.458 4.340 0.001 0.000 0.268 282 R C 0.056 176.351 176.300 -0.008 0.000 1.044 282 R CA 0.350 56.450 56.100 -0.000 0.000 1.105 282 R CB 0.243 30.542 30.300 -0.002 0.000 0.989 282 R HN 0.629 nan 8.270 nan 0.000 0.447 283 D N -0.250 120.143 120.400 -0.012 0.000 3.046 283 D HA -0.159 4.481 4.640 0.001 0.000 0.210 283 D C -0.584 175.701 176.300 -0.026 0.000 1.124 283 D CA 1.446 55.436 54.000 -0.018 0.000 0.986 283 D CB -0.986 39.806 40.800 -0.013 0.000 1.118 283 D HN 0.521 nan 8.370 nan 0.000 0.416 284 T N 0.348 114.884 114.554 -0.029 0.000 2.901 284 T HA 0.358 4.708 4.350 0.001 0.000 0.301 284 T C 0.536 175.194 174.700 -0.070 0.000 1.012 284 T CA -0.200 61.875 62.100 -0.042 0.000 1.135 284 T CB 1.649 70.492 68.868 -0.041 0.000 0.936 284 T HN -0.142 nan 8.240 nan 0.000 0.539 285 V N 5.405 125.264 119.914 -0.091 0.000 2.384 285 V HA 0.454 4.575 4.120 0.001 0.000 0.287 285 V C -0.014 175.942 176.094 -0.231 0.000 1.020 285 V CA -0.709 61.484 62.300 -0.178 0.000 0.850 285 V CB 1.354 33.052 31.823 -0.208 0.000 0.987 285 V HN 0.738 nan 8.190 nan 0.000 0.436 286 I N 4.705 125.123 120.570 -0.254 0.000 2.362 286 I HA 0.432 4.603 4.170 0.001 0.000 0.289 286 I C -0.050 175.905 176.117 -0.270 0.000 0.994 286 I CA -0.466 60.713 61.300 -0.202 0.000 1.158 286 I CB 1.124 39.051 38.000 -0.123 0.000 1.315 286 I HN 0.645 nan 8.210 nan 0.000 0.451 287 H N 6.105 125.157 119.070 -0.031 0.000 2.508 287 H HA 0.308 4.865 4.556 0.001 0.000 0.358 287 H C -2.248 173.070 175.328 -0.017 0.000 1.212 287 H CA -1.285 54.749 56.048 -0.025 0.000 1.356 287 H CB 0.385 30.131 29.762 -0.027 0.000 1.525 287 H HN 0.326 nan 8.280 nan 0.000 0.578 288 P HA 0.038 nan 4.420 nan 0.000 0.268 288 P C 0.358 177.703 177.300 0.076 0.000 1.208 288 P CA 0.832 63.974 63.100 0.070 0.000 0.777 288 P CB 0.469 32.207 31.700 0.063 0.000 0.875 289 G N 0.099 108.948 108.800 0.082 0.000 2.212 289 G HA2 -0.168 3.792 3.960 0.001 0.000 0.255 289 G HA3 -0.168 3.792 3.960 0.001 0.000 0.255 289 G C -0.083 174.878 174.900 0.103 0.000 1.062 289 G CA -0.135 45.026 45.100 0.102 0.000 0.815 289 G HN 0.627 nan 8.290 nan 0.000 0.497 290 T N 1.117 115.733 114.554 0.105 0.000 2.829 290 T HA 0.644 4.994 4.350 0.001 0.000 0.280 290 T C -0.190 174.584 174.700 0.123 0.000 0.999 290 T CA -0.422 61.727 62.100 0.082 0.000 0.983 290 T CB 1.756 70.650 68.868 0.043 0.000 0.968 290 T HN 0.590 nan 8.240 nan 0.000 0.446 291 Q N 3.492 123.350 119.800 0.096 0.000 2.337 291 Q HA 0.535 4.875 4.340 0.001 0.000 0.270 291 Q C -1.647 174.379 176.000 0.044 0.000 1.043 291 Q CA -0.912 54.964 55.803 0.122 0.000 0.794 291 Q CB 1.829 30.651 28.738 0.140 0.000 1.281 291 Q HN 0.568 nan 8.270 nan 0.000 0.446 292 L N 3.796 125.046 121.223 0.046 0.000 2.294 292 L HA 0.543 4.883 4.340 0.001 0.000 0.283 292 L C -0.392 176.491 176.870 0.022 0.000 1.015 292 L CA -0.447 54.395 54.840 0.004 0.000 0.831 292 L CB 0.950 42.991 42.059 -0.031 0.000 1.217 292 L HN 0.480 nan 8.230 nan 0.000 0.420 293 L N 2.045 123.271 121.223 0.006 0.000 2.319 293 L HA 0.806 5.146 4.340 0.001 0.000 0.267 293 L C 1.096 177.969 176.870 0.006 0.000 1.011 293 L CA -0.503 54.346 54.840 0.014 0.000 0.818 293 L CB 1.710 43.769 42.059 -0.000 0.000 1.316 293 L HN 0.781 nan 8.230 nan 0.000 0.432 294 G N 1.398 110.205 108.800 0.011 0.000 2.596 294 G HA2 -0.319 3.641 3.960 0.001 0.000 0.304 294 G HA3 -0.319 3.641 3.960 0.001 0.000 0.304 294 G C 0.405 175.309 174.900 0.006 0.000 1.189 294 G CA 0.178 45.280 45.100 0.005 0.000 0.986 294 G HN 0.683 nan 8.290 nan 0.000 0.548 295 R N 0.862 121.363 120.500 0.002 0.000 2.791 295 R HA 0.344 4.685 4.340 0.001 0.000 0.357 295 R C 0.095 176.395 176.300 -0.000 0.000 1.173 295 R CA 0.081 56.184 56.100 0.004 0.000 1.060 295 R CB 0.382 30.684 30.300 0.002 0.000 1.406 295 R HN 0.389 nan 8.270 nan 0.000 0.580 296 T N 2.111 116.663 114.554 -0.003 0.000 2.940 296 T HA 0.040 4.390 4.350 0.001 0.000 0.309 296 T C 0.154 174.848 174.700 -0.009 0.000 1.056 296 T CA 0.606 62.699 62.100 -0.011 0.000 1.137 296 T CB 0.724 69.581 68.868 -0.019 0.000 0.976 296 T HN 0.242 nan 8.240 nan 0.000 0.547 297 Q N 2.487 122.280 119.800 -0.013 0.000 2.292 297 Q HA 0.466 4.807 4.340 0.001 0.000 0.270 297 Q C -1.058 174.931 176.000 -0.017 0.000 1.024 297 Q CA -0.826 54.971 55.803 -0.009 0.000 0.768 297 Q CB 1.847 30.583 28.738 -0.003 0.000 1.250 297 Q HN 0.417 nan 8.270 nan 0.000 0.447 298 I N 1.828 122.385 120.570 -0.021 0.000 2.404 298 I HA 0.411 4.581 4.170 0.001 0.000 0.293 298 I C 0.998 177.105 176.117 -0.017 0.000 0.992 298 I CA -0.232 61.052 61.300 -0.026 0.000 1.149 298 I CB 0.932 38.907 38.000 -0.041 0.000 1.315 298 I HN 0.746 nan 8.210 nan 0.000 0.446 299 G N 4.340 113.130 108.800 -0.016 0.000 2.529 299 G HA2 0.454 4.414 3.960 0.001 0.000 0.234 299 G HA3 0.454 4.414 3.960 0.001 0.000 0.234 299 G C 0.169 175.062 174.900 -0.012 0.000 1.527 299 G CA -0.125 44.968 45.100 -0.012 0.000 1.062 299 G HN 0.765 nan 8.290 nan 0.000 0.558 300 G N -2.642 106.152 108.800 -0.010 0.000 2.441 300 G HA2 0.501 4.462 3.960 0.001 0.000 0.334 300 G HA3 0.501 4.462 3.960 0.001 0.000 0.334 300 G C 0.133 175.026 174.900 -0.012 0.000 1.161 300 G CA -0.598 44.496 45.100 -0.010 0.000 0.935 300 G HN 0.715 nan 8.290 nan 0.000 0.488 301 R N -1.623 118.869 120.500 -0.013 0.000 3.641 301 R HA -0.193 4.148 4.340 0.001 0.000 0.286 301 R C 0.044 176.336 176.300 -0.013 0.000 1.153 301 R CA 0.438 56.531 56.100 -0.012 0.000 0.775 301 R CB -2.902 27.392 30.300 -0.009 0.000 1.215 301 R HN 0.388 nan 8.270 nan 0.000 0.474 302 C N 0.015 119.305 119.300 -0.017 0.000 2.443 302 C HA 0.583 5.043 4.460 0.001 0.000 0.369 302 C C 1.069 176.053 174.990 -0.011 0.000 1.241 302 C CA -0.565 58.444 59.018 -0.015 0.000 2.413 302 C CB 1.509 29.236 27.740 -0.022 0.000 2.451 302 C HN 0.260 nan 8.230 nan 0.000 0.595 303 V N 2.921 122.839 119.914 0.006 0.000 2.376 303 V HA 0.459 4.580 4.120 0.001 0.000 0.287 303 V C -0.374 175.749 176.094 0.048 0.000 1.015 303 V CA -0.252 62.074 62.300 0.043 0.000 0.834 303 V CB 1.235 33.105 31.823 0.079 0.000 1.001 303 V HN 0.683 nan 8.190 nan 0.000 0.428 304 V N 4.032 123.976 119.914 0.050 0.000 2.495 304 V HA 0.982 5.103 4.120 0.001 0.000 0.298 304 V C 0.678 176.828 176.094 0.094 0.000 1.031 304 V CA 0.360 62.682 62.300 0.037 0.000 0.871 304 V CB 1.028 32.845 31.823 -0.010 0.000 0.988 304 V HN 1.307 nan 8.190 nan 0.000 0.432 305 G N 6.035 114.871 108.800 0.059 0.000 2.760 305 G HA2 -0.087 3.874 3.960 0.001 0.000 0.246 305 G HA3 -0.087 3.874 3.960 0.001 0.000 0.246 305 G C -2.870 172.048 174.900 0.031 0.000 1.359 305 G CA -0.439 44.699 45.100 0.062 0.000 0.861 305 G HN 0.703 nan 8.290 nan 0.000 0.541 306 P HA 0.294 nan 4.420 nan 0.000 0.273 306 P C -0.412 176.886 177.300 -0.003 0.000 1.250 306 P CA 0.850 63.965 63.100 0.025 0.000 0.793 306 P CB 0.224 31.916 31.700 -0.014 0.000 1.011 307 D N -2.176 118.241 120.400 0.028 0.000 2.705 307 D HA -0.106 4.535 4.640 0.001 0.000 0.240 307 D C -0.561 175.760 176.300 0.034 0.000 1.137 307 D CA 1.181 55.203 54.000 0.036 0.000 0.677 307 D CB -2.205 38.608 40.800 0.022 0.000 1.049 307 D HN 0.316 nan 8.370 nan 0.000 0.427 308 T N 0.508 115.082 114.554 0.034 0.000 2.841 308 T HA 0.584 4.934 4.350 0.001 0.000 0.283 308 T C 0.022 174.721 174.700 -0.002 0.000 1.000 308 T CA -0.386 61.724 62.100 0.016 0.000 0.977 308 T CB 1.958 70.826 68.868 -0.000 0.000 0.979 308 T HN -0.056 nan 8.240 nan 0.000 0.446 309 T N 4.173 118.685 114.554 -0.071 0.000 2.847 309 T HA 0.576 4.927 4.350 0.001 0.000 0.291 309 T C -0.702 173.863 174.700 -0.224 0.000 0.998 309 T CA -0.578 61.415 62.100 -0.177 0.000 0.967 309 T CB 0.422 69.072 68.868 -0.363 0.000 0.954 309 T HN 0.326 nan 8.240 nan 0.000 0.441 310 L N 3.088 124.238 121.223 -0.122 0.000 2.349 310 L HA 0.564 4.905 4.340 0.001 0.000 0.278 310 L C -0.149 176.682 176.870 -0.065 0.000 0.996 310 L CA -0.791 53.996 54.840 -0.089 0.000 0.825 310 L CB 1.995 44.023 42.059 -0.052 0.000 1.243 310 L HN 0.564 nan 8.230 nan 0.000 0.412 311 T N 1.186 115.706 114.554 -0.057 0.000 2.791 311 T HA 0.237 4.587 4.350 0.001 0.000 0.288 311 T C -0.497 174.193 174.700 -0.018 0.000 0.999 311 T CA -0.442 61.640 62.100 -0.030 0.000 0.952 311 T CB 0.808 69.664 68.868 -0.021 0.000 0.938 311 T HN 0.606 nan 8.240 nan 0.000 0.444 312 D N 1.321 121.713 120.400 -0.014 0.000 2.699 312 D HA -0.127 4.514 4.640 0.001 0.000 0.239 312 D C -0.282 176.008 176.300 -0.016 0.000 1.136 312 D CA 0.545 54.538 54.000 -0.012 0.000 0.668 312 D CB -1.239 39.557 40.800 -0.008 0.000 1.060 312 D HN 0.307 nan 8.370 nan 0.000 0.429 313 V N -0.203 119.699 119.914 -0.020 0.000 2.581 313 V HA 0.770 4.890 4.120 0.001 0.000 0.303 313 V C 0.489 176.569 176.094 -0.023 0.000 1.041 313 V CA -0.629 61.657 62.300 -0.024 0.000 0.907 313 V CB 2.148 33.955 31.823 -0.028 0.000 0.994 313 V HN 0.364 nan 8.190 nan 0.000 0.442 314 A N 4.012 126.816 122.820 -0.025 0.000 2.303 314 A HA 0.824 5.144 4.320 0.001 0.000 0.320 314 A C -0.911 176.656 177.584 -0.028 0.000 1.192 314 A CA -0.477 51.545 52.037 -0.024 0.000 0.821 314 A CB 1.242 20.229 19.000 -0.023 0.000 1.188 314 A HN 0.666 nan 8.150 nan 0.000 0.492 315 V N 3.013 122.911 119.914 -0.026 0.000 2.444 315 V HA 0.588 4.708 4.120 0.001 0.000 0.294 315 V C 1.125 177.203 176.094 -0.026 0.000 1.022 315 V CA -0.091 62.192 62.300 -0.029 0.000 0.850 315 V CB 1.290 33.096 31.823 -0.029 0.000 0.992 315 V HN 1.164 nan 8.190 nan 0.000 0.426 316 G N 3.042 111.825 108.800 -0.027 0.000 2.479 316 G HA2 0.184 4.144 3.960 0.001 0.000 0.275 316 G HA3 0.184 4.144 3.960 0.001 0.000 0.275 316 G C -0.430 174.458 174.900 -0.021 0.000 1.421 316 G CA -0.325 44.761 45.100 -0.024 0.000 1.059 316 G HN 0.639 nan 8.290 nan 0.000 0.535 317 D N -0.799 119.590 120.400 -0.018 0.000 2.210 317 D HA 0.439 5.080 4.640 0.001 0.000 0.249 317 D C 1.157 177.448 176.300 -0.016 0.000 1.062 317 D CA 0.884 54.875 54.000 -0.015 0.000 0.891 317 D CB 1.125 41.918 40.800 -0.012 0.000 1.186 317 D HN 0.822 nan 8.370 nan 0.000 0.432 318 G N 0.654 109.446 108.800 -0.014 0.000 2.166 318 G HA2 -0.169 3.792 3.960 0.001 0.000 0.260 318 G HA3 -0.169 3.792 3.960 0.001 0.000 0.260 318 G C 0.467 175.357 174.900 -0.016 0.000 0.986 318 G CA 0.413 45.505 45.100 -0.013 0.000 0.683 318 G HN 0.791 nan 8.290 nan 0.000 0.527 319 A N -0.320 122.489 122.820 -0.020 0.000 2.322 319 A HA 0.780 5.100 4.320 0.001 0.000 0.269 319 A C 0.592 178.164 177.584 -0.020 0.000 1.094 319 A CA 0.600 52.622 52.037 -0.025 0.000 0.807 319 A CB 0.841 19.823 19.000 -0.030 0.000 1.047 319 A HN 0.986 nan 8.150 nan 0.000 0.487 320 S N 0.361 116.046 115.700 -0.025 0.000 2.433 320 S HA 0.510 4.980 4.470 0.001 0.000 0.310 320 S C -0.668 173.913 174.600 -0.031 0.000 1.097 320 S CA -0.489 57.698 58.200 -0.022 0.000 1.103 320 S CB 1.248 64.432 63.200 -0.027 0.000 0.992 320 S HN 0.582 nan 8.310 nan 0.000 0.469 321 V N 4.191 124.091 119.914 -0.024 0.000 2.340 321 V HA 0.386 4.506 4.120 0.001 0.000 0.277 321 V C -0.516 175.558 176.094 -0.033 0.000 1.017 321 V CA -0.616 61.666 62.300 -0.030 0.000 0.820 321 V CB 0.939 32.747 31.823 -0.025 0.000 1.028 321 V HN 0.656 nan 8.190 nan 0.000 0.436 322 V N 4.532 124.409 119.914 -0.062 0.000 2.459 322 V HA 0.535 4.656 4.120 0.001 0.000 0.295 322 V C 0.837 176.845 176.094 -0.142 0.000 1.029 322 V CA -0.994 61.247 62.300 -0.098 0.000 0.874 322 V CB 1.552 33.296 31.823 -0.132 0.000 0.985 322 V HN 0.899 nan 8.190 nan 0.000 0.438 323 R N 1.690 122.102 120.500 -0.147 0.000 3.225 323 R HA -0.155 4.186 4.340 0.001 0.000 0.245 323 R C -0.110 176.138 176.300 -0.086 0.000 0.928 323 R CA 0.664 56.657 56.100 -0.178 0.000 0.632 323 R CB -1.290 28.729 30.300 -0.468 0.000 1.038 323 R HN 0.783 nan 8.270 nan 0.000 0.461 324 T N -0.437 114.111 114.554 -0.009 0.000 2.829 324 T HA 0.295 4.645 4.350 0.001 0.000 0.280 324 T C -0.663 174.108 174.700 0.117 0.000 0.999 324 T CA -0.622 61.514 62.100 0.060 0.000 0.983 324 T CB 1.773 70.657 68.868 0.028 0.000 0.968 324 T HN 0.247 nan 8.240 nan 0.000 0.446 325 H N 0.611 119.745 119.070 0.107 0.000 2.504 325 H HA 0.639 5.195 4.556 0.001 0.000 0.322 325 H C 0.111 175.583 175.328 0.239 0.000 1.055 325 H CA 0.223 56.350 56.048 0.132 0.000 1.231 325 H CB 0.700 30.500 29.762 0.063 0.000 1.417 325 H HN 0.885 nan 8.280 nan 0.000 0.472 326 G N 1.913 110.742 108.800 0.049 0.000 2.718 326 G HA2 0.498 4.458 3.960 0.001 0.000 0.295 326 G HA3 0.498 4.458 3.960 0.001 0.000 0.295 326 G C -1.580 173.329 174.900 0.015 0.000 1.421 326 G CA -0.454 44.700 45.100 0.089 0.000 0.902 326 G HN 0.750 nan 8.290 nan 0.000 0.501 327 S N -1.128 114.589 115.700 0.028 0.000 2.550 327 S HA 0.671 5.141 4.470 0.001 0.000 0.270 327 S C 0.041 174.637 174.600 -0.006 0.000 1.145 327 S CA 0.131 58.336 58.200 0.008 0.000 0.852 327 S CB 1.468 64.687 63.200 0.033 0.000 1.119 327 S HN 1.981 nan 8.310 nan 0.000 0.465 328 S N 0.880 116.573 115.700 -0.011 0.000 3.356 328 S HA -0.040 4.431 4.470 0.001 0.000 0.376 328 S C 0.042 174.625 174.600 -0.028 0.000 0.924 328 S CA 0.893 59.083 58.200 -0.016 0.000 1.316 328 S CB -2.198 60.995 63.200 -0.012 0.000 0.922 328 S HN 1.196 nan 8.310 nan 0.000 0.553 329 S N 0.029 115.710 115.700 -0.031 0.000 2.615 329 S HA 0.806 5.276 4.470 0.001 0.000 0.269 329 S C -0.547 174.029 174.600 -0.040 0.000 1.161 329 S CA -0.512 57.663 58.200 -0.042 0.000 0.817 329 S CB 2.206 65.378 63.200 -0.048 0.000 1.131 329 S HN 0.972 nan 8.310 nan 0.000 0.467 330 S N 0.214 115.886 115.700 -0.048 0.000 2.521 330 S HA 0.830 5.300 4.470 0.001 0.000 0.295 330 S C -1.189 173.379 174.600 -0.053 0.000 1.098 330 S CA -0.682 57.491 58.200 -0.046 0.000 0.999 330 S CB 0.615 63.788 63.200 -0.045 0.000 1.034 330 S HN 0.566 nan 8.310 nan 0.000 0.483 331 I N 2.634 123.176 120.570 -0.048 0.000 2.410 331 I HA 0.526 4.697 4.170 0.001 0.000 0.286 331 I C 0.889 176.977 176.117 -0.049 0.000 1.009 331 I CA -0.536 60.733 61.300 -0.052 0.000 1.111 331 I CB 1.766 39.739 38.000 -0.046 0.000 1.262 331 I HN 0.932 nan 8.210 nan 0.000 0.443 332 G N 3.749 112.515 108.800 -0.056 0.000 2.616 332 G HA2 0.193 4.153 3.960 0.001 0.000 0.268 332 G HA3 0.193 4.153 3.960 0.001 0.000 0.268 332 G C -0.400 174.472 174.900 -0.045 0.000 1.213 332 G CA -0.535 44.535 45.100 -0.051 0.000 0.926 332 G HN 0.549 nan 8.290 nan 0.000 0.523 333 D N -0.454 119.924 120.400 -0.037 0.000 2.548 333 D HA 0.236 4.877 4.640 0.001 0.000 0.231 333 D C 1.553 177.833 176.300 -0.032 0.000 1.142 333 D CA 1.566 55.549 54.000 -0.030 0.000 0.866 333 D CB 0.452 41.239 40.800 -0.022 0.000 1.190 333 D HN 0.891 nan 8.370 nan 0.000 0.469 334 G N 0.693 109.477 108.800 -0.026 0.000 2.200 334 G HA2 -0.231 3.729 3.960 0.001 0.000 0.267 334 G HA3 -0.231 3.729 3.960 0.001 0.000 0.267 334 G C 0.564 175.443 174.900 -0.035 0.000 0.993 334 G CA 0.656 45.741 45.100 -0.025 0.000 0.701 334 G HN 0.888 nan 8.290 nan 0.000 0.524 335 A N -0.399 122.394 122.820 -0.045 0.000 2.386 335 A HA 0.771 5.091 4.320 0.001 0.000 0.248 335 A C 0.718 178.272 177.584 -0.050 0.000 1.082 335 A CA 0.856 52.860 52.037 -0.055 0.000 0.789 335 A CB 0.744 19.706 19.000 -0.064 0.000 1.025 335 A HN 2.043 nan 8.150 nan 0.000 0.490 336 A N 1.892 124.677 122.820 -0.057 0.000 2.285 336 A HA 0.592 4.912 4.320 0.001 0.000 0.310 336 A C -0.655 176.891 177.584 -0.065 0.000 1.266 336 A CA -0.406 51.597 52.037 -0.057 0.000 0.832 336 A CB 0.540 19.505 19.000 -0.057 0.000 1.163 336 A HN 0.985 nan 8.150 nan 0.000 0.499 337 V N 2.253 122.132 119.914 -0.060 0.000 2.495 337 V HA 0.867 4.987 4.120 0.001 0.000 0.298 337 V C 0.714 176.767 176.094 -0.068 0.000 1.031 337 V CA 0.597 62.862 62.300 -0.058 0.000 0.871 337 V CB 0.751 32.548 31.823 -0.042 0.000 0.988 337 V HN 2.053 nan 8.190 nan 0.000 0.432 338 G N 5.948 114.701 108.800 -0.078 0.000 2.592 338 G HA2 -0.010 3.950 3.960 0.001 0.000 0.684 338 G HA3 -0.010 3.950 3.960 0.001 0.000 0.684 338 G C -3.200 171.607 174.900 -0.155 0.000 1.291 338 G CA -0.468 44.562 45.100 -0.117 0.000 0.891 338 G HN 0.709 nan 8.290 nan 0.000 0.544 339 P HA 0.626 nan 4.420 nan 0.000 0.281 339 P C 0.157 177.254 177.300 -0.340 0.000 1.264 339 P CA -0.259 62.593 63.100 -0.413 0.000 0.824 339 P CB 0.242 31.543 31.700 -0.665 0.000 1.092 340 F N -3.123 116.791 119.950 -0.060 0.000 2.975 340 F HA -0.162 4.366 4.527 0.001 0.000 0.319 340 F C -0.123 175.690 175.800 0.022 0.000 0.976 340 F CA 0.267 58.261 58.000 -0.009 0.000 1.072 340 F CB -2.567 36.392 39.000 -0.067 0.000 1.165 340 F HN 0.155 nan 8.300 nan 0.000 0.758 341 T N -0.136 114.515 114.554 0.161 0.000 2.863 341 T HA 0.504 4.854 4.350 0.001 0.000 0.285 341 T C -1.302 173.561 174.700 0.272 0.000 1.009 341 T CA -0.660 61.542 62.100 0.171 0.000 0.989 341 T CB 2.066 70.975 68.868 0.067 0.000 1.004 341 T HN 0.139 nan 8.240 nan 0.000 0.455 342 Y N 3.681 124.057 120.300 0.127 0.000 2.326 342 Y HA 0.598 5.149 4.550 0.001 0.000 0.331 342 Y C -1.563 174.401 175.900 0.107 0.000 0.962 342 Y CA -2.014 56.170 58.100 0.140 0.000 1.167 342 Y CB 0.446 38.998 38.460 0.154 0.000 1.148 342 Y HN 0.496 nan 8.280 nan 0.000 0.463 343 L N 7.241 128.513 121.223 0.081 0.000 2.287 343 L HA 0.623 4.963 4.340 0.001 0.000 0.287 343 L C 0.249 176.978 176.870 -0.235 0.000 1.022 343 L CA -0.707 54.066 54.840 -0.111 0.000 0.814 343 L CB 1.302 43.343 42.059 -0.031 0.000 1.217 343 L HN 0.508 nan 8.230 nan 0.000 0.420 344 R N 2.626 122.921 120.500 -0.342 0.000 2.549 344 R HA 0.448 4.788 4.340 0.001 0.000 0.267 344 R C -2.375 173.858 176.300 -0.111 0.000 1.045 344 R CA -1.911 54.039 56.100 -0.250 0.000 1.115 344 R CB 0.759 30.894 30.300 -0.274 0.000 1.121 344 R HN 0.257 nan 8.270 nan 0.000 0.543 345 P HA -0.089 nan 4.420 nan 0.000 0.263 345 P C 0.329 177.599 177.300 -0.050 0.000 1.175 345 P CA 1.245 64.323 63.100 -0.038 0.000 0.761 345 P CB 0.364 32.054 31.700 -0.016 0.000 0.794 346 G N 1.133 109.903 108.800 -0.050 0.000 2.179 346 G HA2 -0.181 3.780 3.960 0.001 0.000 0.220 346 G HA3 -0.181 3.780 3.960 0.001 0.000 0.220 346 G C 0.167 175.022 174.900 -0.075 0.000 0.990 346 G CA -0.201 44.866 45.100 -0.056 0.000 0.646 346 G HN 0.584 nan 8.290 nan 0.000 0.517 347 T N 1.245 115.750 114.554 -0.082 0.000 2.817 347 T HA 0.641 4.992 4.350 0.001 0.000 0.293 347 T C 0.278 174.926 174.700 -0.087 0.000 0.964 347 T CA 0.746 62.787 62.100 -0.099 0.000 1.085 347 T CB 1.675 70.480 68.868 -0.105 0.000 0.921 347 T HN 1.443 nan 8.240 nan 0.000 0.502 348 A N 3.779 126.540 122.820 -0.099 0.000 2.375 348 A HA 0.661 4.981 4.320 0.001 0.000 0.291 348 A C -0.864 176.657 177.584 -0.105 0.000 1.160 348 A CA -0.694 51.289 52.037 -0.090 0.000 0.747 348 A CB 0.587 19.538 19.000 -0.082 0.000 1.170 348 A HN 0.727 nan 8.150 nan 0.000 0.458 349 L N 3.318 124.482 121.223 -0.097 0.000 2.287 349 L HA 0.756 5.097 4.340 0.001 0.000 0.287 349 L C 0.668 177.476 176.870 -0.103 0.000 1.022 349 L CA 0.184 54.959 54.840 -0.109 0.000 0.814 349 L CB 1.336 43.334 42.059 -0.101 0.000 1.217 349 L HN 0.716 nan 8.230 nan 0.000 0.420 350 G N 3.380 112.107 108.800 -0.122 0.000 2.651 350 G HA2 0.481 4.441 3.960 0.001 0.000 0.260 350 G HA3 0.481 4.441 3.960 0.001 0.000 0.260 350 G C -0.280 174.551 174.900 -0.115 0.000 1.216 350 G CA -0.288 44.741 45.100 -0.118 0.000 0.913 350 G HN 1.096 nan 8.290 nan 0.000 0.535 351 A N -0.045 122.715 122.820 -0.100 0.000 2.561 351 A HA 0.353 4.674 4.320 0.001 0.000 0.234 351 A C 0.967 178.487 177.584 -0.106 0.000 1.055 351 A CA 0.942 52.929 52.037 -0.083 0.000 0.756 351 A CB -0.085 18.880 19.000 -0.057 0.000 0.986 351 A HN 0.942 nan 8.150 nan 0.000 0.505 352 D N -0.224 120.129 120.400 -0.078 0.000 3.077 352 D HA -0.162 4.478 4.640 0.001 0.000 0.217 352 D C 0.677 176.913 176.300 -0.107 0.000 1.162 352 D CA 1.867 55.823 54.000 -0.074 0.000 0.943 352 D CB -1.774 38.998 40.800 -0.047 0.000 1.122 352 D HN 1.094 nan 8.370 nan 0.000 0.413 353 G N 0.311 109.035 108.800 -0.126 0.000 2.606 353 G HA2 0.359 4.319 3.960 0.001 0.000 0.252 353 G HA3 0.359 4.319 3.960 0.001 0.000 0.252 353 G C -0.104 174.733 174.900 -0.105 0.000 1.206 353 G CA -0.274 44.743 45.100 -0.137 0.000 0.861 353 G HN 0.149 nan 8.290 nan 0.000 0.561 354 K N 0.712 121.048 120.400 -0.106 0.000 2.507 354 K HA 0.435 4.755 4.320 0.001 0.000 0.252 354 K C -1.017 175.523 176.600 -0.100 0.000 0.943 354 K CA -0.627 55.603 56.287 -0.095 0.000 0.808 354 K CB 1.135 33.579 32.500 -0.092 0.000 1.142 354 K HN 0.334 nan 8.250 nan 0.000 0.426 355 L N 4.210 125.379 121.223 -0.089 0.000 2.276 355 L HA 0.450 4.790 4.340 0.001 0.000 0.286 355 L C 0.785 177.605 176.870 -0.083 0.000 1.024 355 L CA -0.788 54.005 54.840 -0.078 0.000 0.826 355 L CB 1.496 43.520 42.059 -0.059 0.000 1.211 355 L HN 0.824 nan 8.230 nan 0.000 0.422 356 G N 1.947 110.683 108.800 -0.106 0.000 2.509 356 G HA2 0.594 4.554 3.960 0.001 0.000 0.269 356 G HA3 0.594 4.554 3.960 0.001 0.000 0.269 356 G C -0.299 174.530 174.900 -0.118 0.000 1.416 356 G CA -0.394 44.616 45.100 -0.150 0.000 1.052 356 G HN 0.676 nan 8.290 nan 0.000 0.542 357 A N -1.534 121.175 122.820 -0.186 0.000 2.401 357 A HA 0.578 4.898 4.320 0.001 0.000 0.259 357 A C -0.122 177.259 177.584 -0.338 0.000 1.103 357 A CA -0.259 51.540 52.037 -0.397 0.000 0.789 357 A CB -0.775 17.834 19.000 -0.651 0.000 1.035 357 A HN 1.292 nan 8.150 nan 0.000 0.491 358 F N -0.143 119.941 119.950 0.222 0.000 3.071 358 F HA -0.163 4.365 4.527 0.001 0.000 0.295 358 F C 0.022 175.923 175.800 0.167 0.000 0.919 358 F CA 0.018 58.120 58.000 0.170 0.000 1.050 358 F CB -2.133 36.934 39.000 0.112 0.000 1.040 358 F HN 0.287 nan 8.300 nan 0.000 0.692 359 V N 0.530 120.589 119.914 0.241 0.000 2.513 359 V HA 0.483 4.604 4.120 0.001 0.000 0.299 359 V C 0.065 176.293 176.094 0.224 0.000 1.035 359 V CA -0.745 61.675 62.300 0.200 0.000 0.889 359 V CB 2.073 33.955 31.823 0.098 0.000 0.988 359 V HN 0.303 nan 8.190 nan 0.000 0.440 360 E N 3.691 124.041 120.200 0.250 0.000 2.222 360 E HA 0.707 5.058 4.350 0.001 0.000 0.267 360 E C -1.928 174.715 176.600 0.073 0.000 0.884 360 E CA -0.497 56.047 56.400 0.240 0.000 0.764 360 E CB 2.250 32.202 29.700 0.420 0.000 1.169 360 E HN 0.438 nan 8.360 nan 0.000 0.413 361 V N 4.207 124.083 119.914 -0.062 0.000 2.540 361 V HA 0.438 4.558 4.120 0.001 0.000 0.302 361 V C -0.595 175.389 176.094 -0.184 0.000 1.035 361 V CA -0.786 61.401 62.300 -0.189 0.000 0.873 361 V CB 1.694 33.413 31.823 -0.174 0.000 0.992 361 V HN 0.723 nan 8.190 nan 0.000 0.428 362 K N 3.682 123.966 120.400 -0.193 0.000 2.371 362 K HA 0.469 4.789 4.320 0.001 0.000 0.251 362 K C 0.296 176.825 176.600 -0.118 0.000 0.934 362 K CA -0.630 55.589 56.287 -0.113 0.000 0.798 362 K CB 1.495 33.998 32.500 0.006 0.000 1.204 362 K HN 0.609 nan 8.250 nan 0.000 0.427 363 N N 2.102 120.747 118.700 -0.091 0.000 2.689 363 N HA -0.174 4.567 4.740 0.001 0.000 0.263 363 N C -1.462 173.980 175.510 -0.114 0.000 0.987 363 N CA 0.867 53.868 53.050 -0.082 0.000 0.782 363 N CB -0.452 38.006 38.487 -0.048 0.000 0.903 363 N HN 0.626 nan 8.380 nan 0.000 0.547 364 S N -0.354 115.259 115.700 -0.146 0.000 2.569 364 S HA 0.525 4.996 4.470 0.001 0.000 0.280 364 S C -0.266 174.233 174.600 -0.168 0.000 1.111 364 S CA -0.578 57.512 58.200 -0.184 0.000 0.887 364 S CB 2.184 65.224 63.200 -0.266 0.000 1.095 364 S HN 0.393 nan 8.310 nan 0.000 0.476 365 T N -0.125 114.326 114.554 -0.173 0.000 2.823 365 T HA 0.784 5.135 4.350 0.001 0.000 0.279 365 T C -0.623 173.966 174.700 -0.185 0.000 0.998 365 T CA -0.646 61.362 62.100 -0.153 0.000 0.994 365 T CB 0.271 69.066 68.868 -0.121 0.000 0.960 365 T HN 0.476 nan 8.240 nan 0.000 0.448 366 I N 2.663 123.129 120.570 -0.174 0.000 2.468 366 I HA 0.449 4.620 4.170 0.001 0.000 0.285 366 I C 1.078 177.087 176.117 -0.180 0.000 1.039 366 I CA -1.104 60.079 61.300 -0.194 0.000 1.074 366 I CB 1.616 39.493 38.000 -0.204 0.000 1.228 366 I HN 0.952 nan 8.210 nan 0.000 0.436 367 G N 3.789 112.476 108.800 -0.188 0.000 2.699 367 G HA2 0.159 4.120 3.960 0.001 0.000 0.246 367 G HA3 0.159 4.120 3.960 0.001 0.000 0.246 367 G C 0.126 174.873 174.900 -0.255 0.000 1.219 367 G CA -0.159 44.826 45.100 -0.192 0.000 0.866 367 G HN 0.541 nan 8.290 nan 0.000 0.572 368 T N 0.247 114.635 114.554 -0.277 0.000 2.891 368 T HA 0.321 4.671 4.350 0.001 0.000 0.296 368 T C 1.643 175.927 174.700 -0.692 0.000 1.025 368 T CA 1.732 63.604 62.100 -0.380 0.000 1.149 368 T CB 0.325 69.004 68.868 -0.314 0.000 1.007 368 T HN 1.849 nan 8.240 nan 0.000 0.528 369 G N 3.274 111.743 108.800 -0.553 0.000 2.175 369 G HA2 -0.283 3.677 3.960 0.001 0.000 0.265 369 G HA3 -0.283 3.677 3.960 0.001 0.000 0.265 369 G C 0.373 175.038 174.900 -0.390 0.000 0.979 369 G CA 0.425 45.181 45.100 -0.573 0.000 0.663 369 G HN 0.839 nan 8.290 nan 0.000 0.533 370 T N 0.827 115.181 114.554 -0.333 0.000 2.897 370 T HA 0.522 4.873 4.350 0.001 0.000 0.294 370 T C 0.317 174.924 174.700 -0.154 0.000 1.004 370 T CA 0.129 62.096 62.100 -0.221 0.000 1.106 370 T CB 1.048 69.786 68.868 -0.216 0.000 0.949 370 T HN 0.336 nan 8.240 nan 0.000 0.520 371 K N 2.066 122.399 120.400 -0.111 0.000 2.323 371 K HA 0.565 4.886 4.320 0.001 0.000 0.259 371 K C -1.179 175.377 176.600 -0.073 0.000 0.947 371 K CA -0.724 55.509 56.287 -0.090 0.000 0.819 371 K CB 1.958 34.417 32.500 -0.068 0.000 1.109 371 K HN 0.254 nan 8.250 nan 0.000 0.429 372 V N 4.965 124.831 119.914 -0.080 0.000 2.250 372 V HA 0.170 4.290 4.120 0.001 0.000 0.268 372 V C -1.767 174.279 176.094 -0.080 0.000 1.043 372 V CA -1.213 61.060 62.300 -0.045 0.000 0.814 372 V CB 0.860 32.658 31.823 -0.043 0.000 1.072 372 V HN 0.720 nan 8.190 nan 0.000 0.451 373 P HA 0.082 nan 4.420 nan 0.000 0.230 373 P C 0.064 177.038 177.300 -0.544 0.000 1.168 373 P CA 0.709 63.576 63.100 -0.388 0.000 0.793 373 P CB 0.475 31.873 31.700 -0.502 0.000 0.851 374 H N -0.982 118.132 119.070 0.074 0.000 2.966 374 H HA 0.403 4.959 4.556 0.001 0.000 0.347 374 H C -0.222 175.202 175.328 0.159 0.000 1.048 374 H CA -0.926 55.191 56.048 0.114 0.000 1.295 374 H CB 1.242 31.071 29.762 0.112 0.000 1.744 374 H HN -0.291 nan 8.280 nan 0.000 0.513 375 L N 1.859 123.291 121.223 0.349 0.000 3.597 375 L HA -0.223 4.117 4.340 0.001 0.000 0.440 375 L C -0.756 176.261 176.870 0.245 0.000 1.277 375 L CA 0.729 55.757 54.840 0.313 0.000 0.852 375 L CB -1.572 40.644 42.059 0.262 0.000 1.708 375 L HN 0.725 nan 8.230 nan 0.000 0.885 376 T N -1.268 113.434 114.554 0.247 0.000 2.912 376 T HA 0.487 4.838 4.350 0.001 0.000 0.299 376 T C -1.136 173.736 174.700 0.286 0.000 1.052 376 T CA -0.540 61.709 62.100 0.248 0.000 0.996 376 T CB 2.005 71.007 68.868 0.225 0.000 1.070 376 T HN 0.108 nan 8.240 nan 0.000 0.465 377 Y N 2.935 123.347 120.300 0.187 0.000 2.331 377 Y HA 0.624 5.174 4.550 0.001 0.000 0.338 377 Y C -1.086 174.950 175.900 0.227 0.000 0.976 377 Y CA -0.936 57.266 58.100 0.169 0.000 1.137 377 Y CB 0.892 39.439 38.460 0.144 0.000 1.172 377 Y HN 0.359 nan 8.280 nan 0.000 0.478 378 V N 6.817 126.383 119.914 -0.580 0.000 2.304 378 V HA 0.567 4.687 4.120 0.001 0.000 0.278 378 V C 0.316 175.903 176.094 -0.845 0.000 1.018 378 V CA -0.417 61.554 62.300 -0.550 0.000 0.814 378 V CB 0.870 32.421 31.823 -0.453 0.000 1.021 378 V HN 1.004 nan 8.190 nan 0.000 0.440 379 G N 1.830 110.169 108.800 -0.767 0.000 2.379 379 G HA2 0.557 4.517 3.960 0.001 0.000 0.327 379 G HA3 0.557 4.517 3.960 0.001 0.000 0.327 379 G C -0.218 174.602 174.900 -0.133 0.000 1.145 379 G CA -0.409 44.453 45.100 -0.396 0.000 0.905 379 G HN 0.670 nan 8.290 nan 0.000 0.466 380 D N -0.909 119.429 120.400 -0.103 0.000 2.686 380 D HA -0.148 4.492 4.640 0.001 0.000 0.235 380 D C 0.590 176.838 176.300 -0.086 0.000 1.160 380 D CA 1.607 55.569 54.000 -0.062 0.000 0.645 380 D CB -1.046 39.757 40.800 0.004 0.000 1.039 380 D HN 0.872 nan 8.370 nan 0.000 0.423 381 A N 0.235 122.951 122.820 -0.174 0.000 2.469 381 A HA 0.631 4.951 4.320 0.001 0.000 0.299 381 A C -0.840 176.594 177.584 -0.250 0.000 1.098 381 A CA -0.767 51.139 52.037 -0.218 0.000 0.737 381 A CB 1.927 20.709 19.000 -0.363 0.000 1.312 381 A HN -0.015 nan 8.150 nan 0.000 0.414 382 D N 1.375 121.645 120.400 -0.217 0.000 2.492 382 D HA 0.526 5.167 4.640 0.001 0.000 0.248 382 D C -0.821 175.346 176.300 -0.222 0.000 1.101 382 D CA 0.190 54.072 54.000 -0.196 0.000 0.840 382 D CB 1.763 42.489 40.800 -0.124 0.000 1.209 382 D HN 0.431 nan 8.370 nan 0.000 0.524 383 I N 0.882 121.305 120.570 -0.245 0.000 2.603 383 I HA 0.393 4.564 4.170 0.001 0.000 0.300 383 I C 1.202 177.220 176.117 -0.166 0.000 1.017 383 I CA -0.802 60.358 61.300 -0.232 0.000 1.098 383 I CB 2.134 39.947 38.000 -0.312 0.000 1.279 383 I HN 0.296 nan 8.210 nan 0.000 0.437 384 G N 3.752 112.476 108.800 -0.126 0.000 2.582 384 G HA2 0.345 4.306 3.960 0.001 0.000 0.232 384 G HA3 0.345 4.306 3.960 0.001 0.000 0.232 384 G C -0.389 174.427 174.900 -0.139 0.000 1.458 384 G CA -0.352 44.690 45.100 -0.096 0.000 1.062 384 G HN 0.659 nan 8.290 nan 0.000 0.566 385 E N -1.328 118.800 120.200 -0.120 0.000 2.227 385 E HA 0.353 4.703 4.350 0.001 0.000 0.268 385 E C -0.871 175.570 176.600 -0.265 0.000 0.990 385 E CA -0.778 55.472 56.400 -0.249 0.000 0.856 385 E CB 1.341 30.955 29.700 -0.143 0.000 1.159 385 E HN 0.414 nan 8.360 nan 0.000 0.401 386 Y N -0.664 119.473 120.300 -0.272 0.000 3.515 386 Y HA -0.301 4.250 4.550 0.001 0.000 0.214 386 Y C 0.401 176.127 175.900 -0.289 0.000 1.166 386 Y CA 0.247 58.144 58.100 -0.337 0.000 1.435 386 Y CB -2.030 36.099 38.460 -0.552 0.000 1.414 386 Y HN 0.215 nan 8.280 nan 0.000 0.608 387 S N -0.348 115.271 115.700 -0.133 0.000 2.681 387 S HA 0.459 4.929 4.470 0.001 0.000 0.270 387 S C 0.230 174.791 174.600 -0.064 0.000 1.209 387 S CA -0.737 57.416 58.200 -0.077 0.000 0.988 387 S CB 1.383 64.539 63.200 -0.074 0.000 1.006 387 S HN 0.427 nan 8.310 nan 0.000 0.558 388 N N 0.543 119.215 118.700 -0.046 0.000 2.558 388 N HA 0.304 5.044 4.740 0.001 0.000 0.285 388 N C -1.692 173.819 175.510 0.002 0.000 1.112 388 N CA -0.251 52.781 53.050 -0.030 0.000 0.857 388 N CB 0.393 38.862 38.487 -0.029 0.000 1.376 388 N HN 0.271 nan 8.380 nan 0.000 0.526 389 I N 2.393 122.983 120.570 0.032 0.000 2.337 389 I HA 0.312 4.483 4.170 0.001 0.000 0.291 389 I C 1.557 177.748 176.117 0.123 0.000 1.046 389 I CA -0.354 61.015 61.300 0.116 0.000 1.324 389 I CB 0.114 38.210 38.000 0.160 0.000 1.409 389 I HN 0.522 nan 8.210 nan 0.000 0.494 390 G N 4.836 113.716 108.800 0.133 0.000 2.614 390 G HA2 0.360 4.321 3.960 0.001 0.000 0.239 390 G HA3 0.360 4.321 3.960 0.001 0.000 0.239 390 G C 0.282 175.274 174.900 0.153 0.000 1.240 390 G CA -0.276 44.896 45.100 0.121 0.000 0.842 390 G HN 0.841 nan 8.290 nan 0.000 0.584 391 A N 0.655 123.574 122.820 0.165 0.000 2.466 391 A HA 0.482 4.802 4.320 0.001 0.000 0.238 391 A C 1.448 179.114 177.584 0.137 0.000 1.074 391 A CA 1.070 53.222 52.037 0.191 0.000 0.774 391 A CB 0.031 19.137 19.000 0.177 0.000 1.015 391 A HN 2.263 nan 8.150 nan 0.000 0.498 392 S N -0.151 115.640 115.700 0.151 0.000 3.748 392 S HA -0.133 4.338 4.470 0.001 0.000 0.329 392 S C 0.297 174.955 174.600 0.096 0.000 1.104 392 S CA 0.681 58.947 58.200 0.110 0.000 0.954 392 S CB -1.783 61.456 63.200 0.064 0.000 0.910 392 S HN 1.368 nan 8.310 nan 0.000 0.494 393 S N -0.026 115.757 115.700 0.138 0.000 2.664 393 S HA 0.850 5.321 4.470 0.001 0.000 0.304 393 S C -0.310 174.393 174.600 0.172 0.000 1.099 393 S CA -0.542 57.732 58.200 0.123 0.000 1.003 393 S CB 2.160 65.466 63.200 0.177 0.000 1.092 393 S HN 0.514 nan 8.310 nan 0.000 0.525 394 V N 1.997 121.984 119.914 0.123 0.000 2.668 394 V HA 0.427 4.547 4.120 0.001 0.000 0.304 394 V C -1.713 174.482 176.094 0.169 0.000 1.071 394 V CA -0.581 61.852 62.300 0.222 0.000 0.894 394 V CB 1.275 33.220 31.823 0.203 0.000 1.008 394 V HN 0.815 nan 8.190 nan 0.000 0.425 395 F N 4.106 124.192 119.950 0.227 0.000 2.313 395 F HA 0.696 5.224 4.527 0.001 0.000 0.369 395 F C 0.050 175.951 175.800 0.169 0.000 1.109 395 F CA -0.569 57.523 58.000 0.154 0.000 1.132 395 F CB 1.635 40.590 39.000 -0.076 0.000 1.291 395 F HN 0.287 nan 8.300 nan 0.000 0.496 396 V N 2.925 123.041 119.914 0.336 0.000 2.841 396 V HA 0.726 4.846 4.120 0.001 0.000 0.310 396 V C -0.813 175.418 176.094 0.228 0.000 1.090 396 V CA -0.588 61.902 62.300 0.317 0.000 0.930 396 V CB 1.917 33.930 31.823 0.317 0.000 1.014 396 V HN 0.716 nan 8.190 nan 0.000 0.425 397 N N 3.510 122.330 118.700 0.201 0.000 2.424 397 N HA 0.515 5.256 4.740 0.001 0.000 0.271 397 N C -0.887 174.736 175.510 0.188 0.000 0.985 397 N CA -0.438 52.706 53.050 0.155 0.000 0.921 397 N CB 1.241 39.786 38.487 0.097 0.000 1.149 397 N HN 0.921 nan 8.380 nan 0.000 0.492 398 Y N 2.315 122.654 120.300 0.065 0.000 2.584 398 Y HA 0.294 4.844 4.550 0.001 0.000 0.351 398 Y C -0.222 175.702 175.900 0.040 0.000 1.030 398 Y CA -0.854 57.274 58.100 0.047 0.000 1.332 398 Y CB -0.492 37.989 38.460 0.036 0.000 1.148 398 Y HN 0.640 nan 8.280 nan 0.000 0.528 402 S N 1.396 117.062 115.700 -0.057 0.000 2.546 402 S HA 0.472 4.943 4.470 0.001 0.000 0.290 402 S C 1.475 176.063 174.600 -0.020 0.000 1.262 402 S CA 0.988 59.161 58.200 -0.045 0.000 1.083 402 S CB 0.306 63.468 63.200 -0.064 0.000 0.859 402 S HN 0.937 nan 8.310 nan 0.000 0.495 403 K N 5.076 125.467 120.400 -0.015 0.000 2.410 403 K HA 0.239 4.560 4.320 0.001 0.000 0.200 403 K C 0.511 177.107 176.600 -0.007 0.000 1.023 403 K CA 0.023 56.305 56.287 -0.008 0.000 1.149 403 K CB -0.172 32.322 32.500 -0.009 0.000 0.859 403 K HN 0.769 nan 8.250 nan 0.000 0.514 404 R N 0.785 121.282 120.500 -0.006 0.000 2.390 404 R HA 0.346 4.686 4.340 0.001 0.000 0.291 404 R C -0.383 175.921 176.300 0.006 0.000 1.070 404 R CA -0.445 55.655 56.100 -0.001 0.000 1.014 404 R CB 0.893 31.194 30.300 0.002 0.000 1.007 404 R HN 0.283 nan 8.270 nan 0.000 0.466 405 R N 1.300 121.801 120.500 0.002 0.000 2.387 405 R HA 0.201 4.541 4.340 0.001 0.000 0.314 405 R C -0.324 175.981 176.300 0.008 0.000 0.958 405 R CA -0.542 55.556 56.100 -0.003 0.000 0.846 405 R CB 1.863 32.147 30.300 -0.027 0.000 1.147 405 R HN 0.511 nan 8.270 nan 0.000 0.447 406 T N 2.081 116.653 114.554 0.031 0.000 2.946 406 T HA 0.022 4.372 4.350 0.001 0.000 0.312 406 T C 0.160 174.856 174.700 -0.005 0.000 1.066 406 T CA 0.624 62.757 62.100 0.055 0.000 1.138 406 T CB 0.462 69.418 68.868 0.147 0.000 1.014 406 T HN 0.444 nan 8.240 nan 0.000 0.544 407 T N 2.934 117.492 114.554 0.007 0.000 2.879 407 T HA 0.540 4.890 4.350 0.001 0.000 0.290 407 T C -0.704 173.986 174.700 -0.017 0.000 0.993 407 T CA -0.572 61.512 62.100 -0.027 0.000 0.975 407 T CB 1.340 70.200 68.868 -0.012 0.000 0.981 407 T HN 0.337 nan 8.240 nan 0.000 0.439 408 V N 2.446 122.323 119.914 -0.062 0.000 2.540 408 V HA 0.762 4.882 4.120 0.001 0.000 0.302 408 V C 0.892 176.967 176.094 -0.031 0.000 1.035 408 V CA -0.684 61.592 62.300 -0.040 0.000 0.873 408 V CB 1.918 33.688 31.823 -0.089 0.000 0.992 408 V HN 1.026 nan 8.190 nan 0.000 0.428 409 G N 2.744 111.552 108.800 0.013 0.000 2.508 409 G HA2 0.444 4.404 3.960 0.001 0.000 0.278 409 G HA3 0.444 4.404 3.960 0.001 0.000 0.278 409 G C 0.012 174.934 174.900 0.036 0.000 1.389 409 G CA -0.350 44.769 45.100 0.030 0.000 1.050 409 G HN 0.658 nan 8.290 nan 0.000 0.522 410 S N -1.533 114.219 115.700 0.087 0.000 2.646 410 S HA 0.395 4.866 4.470 0.001 0.000 0.276 410 S C 0.040 174.776 174.600 0.227 0.000 1.222 410 S CA -0.214 58.059 58.200 0.121 0.000 1.014 410 S CB 0.791 64.112 63.200 0.202 0.000 0.991 410 S HN 0.681 nan 8.310 nan 0.000 0.533 411 H N -1.712 117.419 119.070 0.102 0.000 2.884 411 H HA -0.134 4.422 4.556 0.001 0.000 0.289 411 H C -0.124 175.247 175.328 0.071 0.000 1.142 411 H CA 0.536 56.645 56.048 0.101 0.000 1.158 411 H CB -2.256 27.567 29.762 0.101 0.000 1.325 411 H HN 0.219 nan 8.280 nan 0.000 0.366 412 V N 0.690 120.664 119.914 0.099 0.000 2.811 412 V HA 0.187 4.308 4.120 0.001 0.000 0.302 412 V C 1.044 177.088 176.094 -0.082 0.000 1.063 412 V CA 0.174 62.499 62.300 0.043 0.000 1.088 412 V CB 1.457 33.309 31.823 0.050 0.000 0.982 412 V HN 0.311 nan 8.190 nan 0.000 0.485 413 R N 2.108 122.439 120.500 -0.283 0.000 2.467 413 R HA 0.367 4.708 4.340 0.001 0.000 0.299 413 R C -0.388 175.726 176.300 -0.310 0.000 1.120 413 R CA -0.409 55.443 56.100 -0.414 0.000 0.940 413 R CB 1.692 31.511 30.300 -0.802 0.000 1.161 413 R HN 0.891 nan 8.270 nan 0.000 0.506 414 T N -0.826 113.696 114.554 -0.052 0.000 2.882 414 T HA 0.488 4.839 4.350 0.001 0.000 0.287 414 T C 0.774 175.502 174.700 0.046 0.000 0.992 414 T CA -0.663 61.486 62.100 0.082 0.000 1.076 414 T CB 1.863 70.933 68.868 0.336 0.000 0.961 414 T HN 0.509 nan 8.240 nan 0.000 0.490 415 G N 1.605 110.426 108.800 0.036 0.000 2.476 415 G HA2 0.448 4.408 3.960 0.001 0.000 0.269 415 G HA3 0.448 4.408 3.960 0.001 0.000 0.269 415 G C -0.001 174.914 174.900 0.026 0.000 1.195 415 G CA -0.823 44.293 45.100 0.026 0.000 0.843 415 G HN 0.872 nan 8.290 nan 0.000 0.545 416 S N 0.129 115.849 115.700 0.033 0.000 2.599 416 S HA 0.043 4.514 4.470 0.001 0.000 0.303 416 S C 0.732 175.333 174.600 0.003 0.000 1.267 416 S CA 1.195 59.415 58.200 0.033 0.000 1.055 416 S CB 0.231 63.448 63.200 0.027 0.000 0.790 416 S HN 0.916 nan 8.310 nan 0.000 0.500 417 D N 1.125 121.529 120.400 0.005 0.000 2.716 417 D HA -0.147 4.493 4.640 0.001 0.000 0.239 417 D C -0.612 175.632 176.300 -0.093 0.000 1.125 417 D CA 0.887 54.871 54.000 -0.028 0.000 0.681 417 D CB -1.332 39.451 40.800 -0.028 0.000 1.070 417 D HN 0.475 nan 8.370 nan 0.000 0.432 418 T N 2.000 116.471 114.554 -0.138 0.000 2.767 418 T HA 0.471 4.822 4.350 0.001 0.000 0.284 418 T C 0.514 174.927 174.700 -0.477 0.000 0.973 418 T CA -0.747 61.134 62.100 -0.365 0.000 0.996 418 T CB 0.870 69.426 68.868 -0.519 0.000 0.927 418 T HN 0.040 nan 8.240 nan 0.000 0.456 419 M N 4.178 123.501 119.600 -0.461 0.000 2.113 419 M HA 0.411 4.891 4.480 0.001 0.000 0.352 419 M C -0.975 175.022 176.300 -0.505 0.000 1.170 419 M CA -0.945 54.151 55.300 -0.340 0.000 1.053 419 M CB -0.034 32.473 32.600 -0.155 0.000 1.601 419 M HN 0.420 nan 8.290 nan 0.000 0.459 420 F N 2.509 122.292 119.950 -0.279 0.000 2.334 420 F HA 0.414 4.941 4.527 0.001 0.000 0.367 420 F C 0.350 176.113 175.800 -0.063 0.000 1.115 420 F CA -0.936 56.934 58.000 -0.217 0.000 1.116 420 F CB 0.524 39.281 39.000 -0.404 0.000 1.230 420 F HN 0.208 nan 8.300 nan 0.000 0.484 421 V N 4.030 124.008 119.914 0.107 0.000 2.389 421 V HA 0.479 4.600 4.120 0.001 0.000 0.264 421 V C 0.649 176.824 176.094 0.134 0.000 1.049 421 V CA -0.901 61.467 62.300 0.114 0.000 0.932 421 V CB 0.248 32.115 31.823 0.073 0.000 1.011 421 V HN 0.858 nan 8.190 nan 0.000 0.475 422 A N 8.147 131.055 122.820 0.147 0.000 2.407 422 A HA 0.684 5.005 4.320 0.001 0.000 0.248 422 A C -2.201 175.430 177.584 0.079 0.000 1.082 422 A CA -0.960 51.151 52.037 0.123 0.000 0.785 422 A CB -0.022 19.051 19.000 0.122 0.000 1.020 422 A HN 0.713 nan 8.150 nan 0.000 0.489 423 P HA 0.629 nan 4.420 nan 0.000 0.298 423 P C -1.094 176.251 177.300 0.075 0.000 1.314 423 P CA -0.469 62.670 63.100 0.065 0.000 0.854 423 P CB 1.702 33.424 31.700 0.037 0.000 1.019 424 V N 2.065 122.037 119.914 0.096 0.000 3.087 424 V HA 0.565 4.685 4.120 0.001 0.000 0.306 424 V C -1.053 175.101 176.094 0.100 0.000 1.187 424 V CA -0.317 62.047 62.300 0.108 0.000 0.999 424 V CB 2.847 34.764 31.823 0.157 0.000 1.049 424 V HN 0.566 nan 8.190 nan 0.000 0.431 425 T N 6.055 120.663 114.554 0.090 0.000 2.840 425 T HA 0.607 4.958 4.350 0.001 0.000 0.287 425 T C -0.817 173.937 174.700 0.090 0.000 0.991 425 T CA -0.233 61.912 62.100 0.074 0.000 0.964 425 T CB 0.875 69.773 68.868 0.050 0.000 0.954 425 T HN 0.397 nan 8.240 nan 0.000 0.438 426 I N 2.773 123.398 120.570 0.092 0.000 2.378 426 I HA 0.484 4.654 4.170 0.001 0.000 0.291 426 I C 0.955 177.123 176.117 0.084 0.000 0.992 426 I CA -0.590 60.776 61.300 0.110 0.000 1.154 426 I CB 1.344 39.432 38.000 0.147 0.000 1.315 426 I HN 0.694 nan 8.210 nan 0.000 0.448 427 G N 4.016 112.869 108.800 0.088 0.000 2.451 427 G HA2 0.311 4.271 3.960 0.001 0.000 0.303 427 G HA3 0.311 4.271 3.960 0.001 0.000 0.303 427 G C -0.448 174.508 174.900 0.093 0.000 1.166 427 G CA -0.416 44.730 45.100 0.078 0.000 0.884 427 G HN 0.553 nan 8.290 nan 0.000 0.514 428 D N -0.059 120.393 120.400 0.088 0.000 2.629 428 D HA 0.276 4.916 4.640 0.001 0.000 0.228 428 D C 1.556 177.934 176.300 0.131 0.000 1.127 428 D CA 1.772 55.839 54.000 0.112 0.000 0.855 428 D CB 0.530 41.389 40.800 0.098 0.000 1.180 428 D HN 0.911 nan 8.370 nan 0.000 0.484 429 G N 0.926 109.833 108.800 0.178 0.000 2.187 429 G HA2 -0.196 3.765 3.960 0.001 0.000 0.261 429 G HA3 -0.196 3.765 3.960 0.001 0.000 0.261 429 G C 0.557 175.621 174.900 0.273 0.000 1.000 429 G CA 0.504 45.737 45.100 0.221 0.000 0.718 429 G HN 0.868 nan 8.290 nan 0.000 0.519 430 A N -0.949 122.009 122.820 0.230 0.000 2.366 430 A HA 0.714 5.034 4.320 0.001 0.000 0.249 430 A C -0.094 177.722 177.584 0.387 0.000 1.084 430 A CA 0.082 52.275 52.037 0.259 0.000 0.794 430 A CB 0.578 19.684 19.000 0.177 0.000 1.034 430 A HN 0.672 nan 8.150 nan 0.000 0.491 431 Y N -0.988 119.359 120.300 0.079 0.000 2.570 431 Y HA 0.575 5.126 4.550 0.001 0.000 0.345 431 Y C 0.723 176.668 175.900 0.074 0.000 1.014 431 Y CA -0.278 57.870 58.100 0.079 0.000 1.063 431 Y CB 2.768 41.263 38.460 0.058 0.000 1.272 431 Y HN 0.803 nan 8.280 nan 0.000 0.477 432 T N -1.116 113.542 114.554 0.172 0.000 2.900 432 T HA 0.662 5.012 4.350 0.001 0.000 0.295 432 T C -0.085 174.661 174.700 0.076 0.000 1.044 432 T CA -0.909 61.249 62.100 0.096 0.000 0.995 432 T CB 1.485 70.368 68.868 0.024 0.000 1.072 432 T HN 0.866 nan 8.240 nan 0.000 0.473 433 G N 0.703 109.529 108.800 0.042 0.000 2.569 433 G HA2 0.532 4.492 3.960 0.001 0.000 0.249 433 G HA3 0.532 4.492 3.960 0.001 0.000 0.249 433 G C 0.353 175.252 174.900 -0.003 0.000 1.216 433 G CA -0.500 44.619 45.100 0.032 0.000 0.845 433 G HN 1.226 nan 8.290 nan 0.000 0.568 434 A N -0.146 122.678 122.820 0.005 0.000 2.498 434 A HA 0.546 4.867 4.320 0.001 0.000 0.239 434 A C 1.489 179.052 177.584 -0.034 0.000 1.068 434 A CA 0.906 52.936 52.037 -0.012 0.000 0.766 434 A CB -0.282 18.718 19.000 0.000 0.000 1.003 434 A HN 2.617 nan 8.150 nan 0.000 0.497 435 G N 2.049 110.818 108.800 -0.052 0.000 2.298 435 G HA2 -0.121 3.839 3.960 0.001 0.000 0.287 435 G HA3 -0.121 3.839 3.960 0.001 0.000 0.287 435 G C 0.143 174.992 174.900 -0.085 0.000 1.075 435 G CA 0.418 45.479 45.100 -0.064 0.000 0.960 435 G HN 1.161 nan 8.290 nan 0.000 0.502 436 T N -0.247 114.231 114.554 -0.126 0.000 2.797 436 T HA 0.523 4.873 4.350 0.001 0.000 0.279 436 T C 0.316 174.885 174.700 -0.218 0.000 0.991 436 T CA -0.465 61.545 62.100 -0.149 0.000 0.979 436 T CB 2.253 71.032 68.868 -0.149 0.000 0.943 436 T HN 0.437 nan 8.240 nan 0.000 0.444 437 V N 4.556 124.369 119.914 -0.168 0.000 2.304 437 V HA 0.253 4.373 4.120 0.001 0.000 0.269 437 V C 0.116 176.109 176.094 -0.168 0.000 1.036 437 V CA -0.688 61.505 62.300 -0.179 0.000 0.840 437 V CB 1.062 32.822 31.823 -0.106 0.000 1.036 437 V HN 0.688 nan 8.190 nan 0.000 0.466 438 V N 7.504 127.267 119.914 -0.253 0.000 2.389 438 V HA 0.322 4.442 4.120 0.001 0.000 0.264 438 V C 1.144 177.208 176.094 -0.050 0.000 1.049 438 V CA -0.098 62.111 62.300 -0.152 0.000 0.932 438 V CB 0.708 32.415 31.823 -0.193 0.000 1.011 438 V HN 0.841 nan 8.190 nan 0.000 0.475 439 R N 2.400 122.893 120.500 -0.012 0.000 2.446 439 R HA 0.295 4.635 4.340 0.001 0.000 0.254 439 R C -0.227 176.094 176.300 0.035 0.000 0.918 439 R CA -0.176 55.935 56.100 0.019 0.000 1.069 439 R CB 1.021 31.328 30.300 0.012 0.000 1.194 439 R HN 0.566 nan 8.270 nan 0.000 0.534 440 E N 1.434 121.655 120.200 0.034 0.000 2.288 440 E HA 0.208 4.558 4.350 0.001 0.000 0.268 440 E C -1.037 175.597 176.600 0.057 0.000 0.885 440 E CA -0.852 55.572 56.400 0.040 0.000 0.767 440 E CB 1.547 31.263 29.700 0.027 0.000 1.220 440 E HN -0.100 nan 8.360 nan 0.000 0.427 441 D N 0.525 120.960 120.400 0.058 0.000 2.515 441 D HA 0.072 4.712 4.640 0.001 0.000 0.232 441 D C -0.427 175.913 176.300 0.067 0.000 1.157 441 D CA 0.539 54.579 54.000 0.067 0.000 0.871 441 D CB 0.570 41.402 40.800 0.053 0.000 1.200 441 D HN -0.021 nan 8.370 nan 0.000 0.466 442 V N 3.645 123.608 119.914 0.081 0.000 2.483 442 V HA 0.334 4.455 4.120 0.001 0.000 0.297 442 V C -2.229 173.911 176.094 0.076 0.000 1.027 442 V CA -1.626 60.723 62.300 0.081 0.000 0.855 442 V CB 1.951 33.837 31.823 0.106 0.000 0.995 442 V HN 0.446 nan 8.190 nan 0.000 0.424 443 P HA 0.299 nan 4.420 nan 0.000 0.275 443 P C -2.690 174.649 177.300 0.065 0.000 1.228 443 P CA -1.640 61.493 63.100 0.055 0.000 0.786 443 P CB -0.045 31.680 31.700 0.042 0.000 0.927 444 P HA -0.058 nan 4.420 nan 0.000 0.263 444 P C 1.122 178.458 177.300 0.060 0.000 1.168 444 P CA 1.714 64.854 63.100 0.066 0.000 0.759 444 P CB -0.101 31.629 31.700 0.050 0.000 0.782 445 G N 1.411 110.257 108.800 0.076 0.000 2.212 445 G HA2 -0.239 3.721 3.960 0.001 0.000 0.266 445 G HA3 -0.239 3.721 3.960 0.001 0.000 0.266 445 G C 0.510 175.433 174.900 0.038 0.000 0.978 445 G CA 0.196 45.325 45.100 0.050 0.000 0.632 445 G HN 0.875 nan 8.290 nan 0.000 0.537 446 A N -0.569 122.288 122.820 0.062 0.000 2.287 446 A HA 0.792 5.113 4.320 0.001 0.000 0.273 446 A C -0.023 177.609 177.584 0.080 0.000 1.091 446 A CA 0.336 52.405 52.037 0.054 0.000 0.817 446 A CB 1.024 20.057 19.000 0.056 0.000 1.069 446 A HN 1.588 nan 8.150 nan 0.000 0.492 447 L N 1.162 122.420 121.223 0.059 0.000 2.319 447 L HA 0.706 5.046 4.340 0.001 0.000 0.281 447 L C 0.117 177.027 176.870 0.066 0.000 1.005 447 L CA -0.164 54.727 54.840 0.084 0.000 0.828 447 L CB 1.088 43.173 42.059 0.044 0.000 1.227 447 L HN 0.798 nan 8.230 nan 0.000 0.415 448 A N 5.350 128.216 122.820 0.077 0.000 2.328 448 A HA 0.768 5.089 4.320 0.001 0.000 0.284 448 A C -0.683 176.911 177.584 0.017 0.000 1.160 448 A CA -0.097 51.964 52.037 0.040 0.000 0.818 448 A CB 0.579 19.600 19.000 0.036 0.000 1.087 448 A HN 1.095 nan 8.150 nan 0.000 0.504 449 V N 0.356 120.270 119.914 0.000 0.000 3.087 449 V HA 0.821 4.941 4.120 0.001 0.000 0.306 449 V C 0.256 176.335 176.094 -0.025 0.000 1.187 449 V CA 0.052 62.344 62.300 -0.014 0.000 0.999 449 V CB 1.390 33.212 31.823 -0.003 0.000 1.049 449 V HN 1.316 nan 8.190 nan 0.000 0.431 450 S N 0.057 115.736 115.700 -0.035 0.000 2.612 450 S HA 0.498 4.968 4.470 0.001 0.000 0.278 450 S C 0.904 175.483 174.600 -0.034 0.000 1.082 450 S CA 0.474 58.652 58.200 -0.036 0.000 1.185 450 S CB 0.225 63.396 63.200 -0.048 0.000 1.077 450 S HN 1.988 nan 8.310 nan 0.000 0.585 451 A N 1.960 124.759 122.820 -0.036 0.000 2.531 451 A HA 0.602 4.922 4.320 0.001 0.000 0.236 451 A C 0.907 178.475 177.584 -0.026 0.000 1.062 451 A CA 0.375 52.392 52.037 -0.033 0.000 0.760 451 A CB -0.543 18.438 19.000 -0.032 0.000 0.995 451 A HN 0.763 nan 8.150 nan 0.000 0.501 452 G N 1.402 110.186 108.800 -0.027 0.000 2.599 452 G HA2 0.526 4.487 3.960 0.001 0.000 0.264 452 G HA3 0.526 4.487 3.960 0.001 0.000 0.264 452 G C -1.909 172.978 174.900 -0.022 0.000 1.200 452 G CA -0.831 44.255 45.100 -0.023 0.000 0.896 452 G HN 0.758 nan 8.290 nan 0.000 0.536 453 P HA 0.141 nan 4.420 nan 0.000 0.275 453 P C -0.450 176.836 177.300 -0.024 0.000 1.228 453 P CA -0.383 62.706 63.100 -0.018 0.000 0.786 453 P CB 0.978 32.670 31.700 -0.014 0.000 0.927 454 Q N 2.708 122.494 119.800 -0.024 0.000 2.313 454 Q HA 0.137 4.478 4.340 0.001 0.000 0.266 454 Q C -0.281 175.701 176.000 -0.030 0.000 0.989 454 Q CA -0.286 55.498 55.803 -0.031 0.000 0.890 454 Q CB 0.491 29.211 28.738 -0.029 0.000 1.200 454 Q HN 0.422 nan 8.270 nan 0.000 0.396 455 R N 2.576 123.053 120.500 -0.039 0.000 2.740 455 R HA 0.566 4.907 4.340 0.001 0.000 0.282 455 R C -1.046 175.227 176.300 -0.046 0.000 0.969 455 R CA -1.048 55.032 56.100 -0.034 0.000 0.918 455 R CB 1.007 31.289 30.300 -0.029 0.000 1.175 455 R HN 0.436 nan 8.270 nan 0.000 0.464 456 N N 2.117 120.798 118.700 -0.031 0.000 2.407 456 N HA 0.371 5.112 4.740 0.001 0.000 0.277 456 N C -0.896 174.607 175.510 -0.010 0.000 0.995 456 N CA -0.555 52.476 53.050 -0.031 0.000 0.903 456 N CB 1.763 40.240 38.487 -0.016 0.000 1.218 456 N HN 0.541 nan 8.380 nan 0.000 0.487 457 I N 1.614 122.175 120.570 -0.016 0.000 2.297 457 I HA 0.143 4.313 4.170 0.001 0.000 0.291 457 I C 1.375 177.560 176.117 0.113 0.000 1.033 457 I CA -0.317 61.016 61.300 0.055 0.000 1.253 457 I CB 1.359 39.399 38.000 0.066 0.000 1.396 457 I HN 0.446 nan 8.210 nan 0.000 0.476 458 E N 4.382 124.642 120.200 0.099 0.000 2.107 458 E HA -0.121 4.229 4.350 0.001 0.000 0.191 458 E C 1.491 178.151 176.600 0.101 0.000 0.982 458 E CA 1.364 57.813 56.400 0.081 0.000 0.809 458 E CB 0.190 29.921 29.700 0.053 0.000 0.756 458 E HN 0.770 nan 8.360 nan 0.000 0.459 459 N N -0.938 117.834 118.700 0.119 0.000 2.416 459 N HA 0.065 4.805 4.740 0.001 0.000 0.267 459 N C 0.516 176.100 175.510 0.124 0.000 1.294 459 N CA 0.029 53.137 53.050 0.096 0.000 0.891 459 N CB -0.951 37.563 38.487 0.046 0.000 1.238 459 N HN 0.282 nan 8.380 nan 0.000 0.508 460 W N -0.286 121.012 121.300 -0.003 0.000 2.363 460 W HA -0.123 4.537 4.660 0.001 0.000 0.296 460 W C 1.864 178.380 176.519 -0.004 0.000 1.212 460 W CA 1.778 59.121 57.345 -0.004 0.000 1.260 460 W CB -0.020 29.438 29.460 -0.004 0.000 1.131 460 W HN 0.209 nan 8.180 nan 0.000 0.530 461 V N 0.912 121.014 119.914 0.313 0.000 2.295 461 V HA -0.348 3.773 4.120 0.001 0.000 0.246 461 V C 2.194 178.228 176.094 -0.099 0.000 1.049 461 V CA 2.743 65.125 62.300 0.137 0.000 1.024 461 V CB -0.535 31.414 31.823 0.210 0.000 0.648 461 V HN 0.252 nan 8.190 nan 0.000 0.447 462 Q N -0.420 119.349 119.800 -0.051 0.000 2.084 462 Q HA -0.202 4.138 4.340 0.001 0.000 0.202 462 Q C 2.435 178.347 176.000 -0.148 0.000 0.978 462 Q CA 2.328 58.085 55.803 -0.077 0.000 0.844 462 Q CB -0.332 28.384 28.738 -0.036 0.000 0.898 462 Q HN 0.559 nan 8.270 nan 0.000 0.426 463 R N -0.168 120.211 120.500 -0.203 0.000 2.062 463 R HA -0.071 4.269 4.340 0.001 0.000 0.229 463 R C 1.880 177.963 176.300 -0.363 0.000 1.128 463 R CA 1.808 57.762 56.100 -0.244 0.000 0.960 463 R CB 0.006 30.176 30.300 -0.216 0.000 0.855 463 R HN 0.128 nan 8.270 nan 0.000 0.432 464 K N 0.409 120.414 120.400 -0.658 0.000 2.373 464 K HA 0.203 4.524 4.320 0.001 0.000 0.202 464 K C 0.603 176.867 176.600 -0.560 0.000 1.025 464 K CA 0.002 55.863 56.287 -0.710 0.000 1.115 464 K CB 0.617 32.464 32.500 -1.088 0.000 0.858 464 K HN 0.012 nan 8.250 nan 0.000 0.525 465 R N 1.041 121.288 120.500 -0.420 0.000 2.648 465 R HA 0.184 4.524 4.340 0.001 0.000 0.341 465 R C -3.044 173.182 176.300 -0.123 0.000 1.154 465 R CA -1.546 54.430 56.100 -0.208 0.000 1.228 465 R CB 0.888 31.116 30.300 -0.119 0.000 1.311 465 R HN 0.259 nan 8.270 nan 0.000 0.659 466 P HA 0.060 nan 4.420 nan 0.000 0.268 466 P C 0.925 178.194 177.300 -0.053 0.000 1.205 466 P CA 1.049 64.099 63.100 -0.084 0.000 0.771 466 P CB 0.902 32.551 31.700 -0.084 0.000 0.858 467 G N 1.742 110.520 108.800 -0.037 0.000 2.253 467 G HA2 -0.286 3.675 3.960 0.001 0.000 0.251 467 G HA3 -0.286 3.675 3.960 0.001 0.000 0.251 467 G C 0.464 175.355 174.900 -0.016 0.000 0.998 467 G CA 0.425 45.511 45.100 -0.024 0.000 0.621 467 G HN 0.920 nan 8.290 nan 0.000 0.524 468 S N 1.139 116.830 115.700 -0.016 0.000 2.563 468 S HA 0.383 4.854 4.470 0.001 0.000 0.269 468 S C -0.535 174.067 174.600 0.003 0.000 1.364 468 S CA 0.109 58.307 58.200 -0.003 0.000 1.010 468 S CB 1.034 64.236 63.200 0.004 0.000 0.877 468 S HN 0.111 nan 8.310 nan 0.000 0.549 469 P HA -0.021 nan 4.420 nan 0.000 0.217 469 P C 1.118 178.428 177.300 0.016 0.000 1.148 469 P CA 1.750 64.856 63.100 0.010 0.000 0.828 469 P CB -0.299 31.408 31.700 0.011 0.000 0.783 470 A N -0.432 122.403 122.820 0.024 0.000 2.258 470 A HA 0.225 4.546 4.320 0.001 0.000 0.206 470 A C 1.670 179.272 177.584 0.031 0.000 1.222 470 A CA 0.728 52.786 52.037 0.036 0.000 0.822 470 A CB -1.216 17.820 19.000 0.059 0.000 0.804 470 A HN 0.175 nan 8.150 nan 0.000 0.483 471 A N -1.524 121.306 122.820 0.016 0.000 2.416 471 A HA 0.430 4.750 4.320 0.001 0.000 0.252 471 A C 1.604 179.195 177.584 0.011 0.000 1.353 471 A CA 0.872 52.915 52.037 0.009 0.000 0.996 471 A CB -0.806 18.193 19.000 -0.001 0.000 0.961 471 A HN 0.784 nan 8.150 nan 0.000 0.523 472 Q N -1.367 118.443 119.800 0.016 0.000 2.360 472 Q HA 0.513 4.853 4.340 0.001 0.000 0.202 472 Q C 1.830 177.841 176.000 0.018 0.000 0.915 472 Q CA 1.096 56.908 55.803 0.015 0.000 0.943 472 Q CB -0.626 28.121 28.738 0.015 0.000 1.064 472 Q HN 0.985 nan 8.270 nan 0.000 0.511 473 A N 0.006 122.839 122.820 0.023 0.000 1.929 473 A HA -0.031 4.290 4.320 0.001 0.000 0.216 473 A C 2.507 180.102 177.584 0.018 0.000 1.176 473 A CA 1.778 53.830 52.037 0.026 0.000 0.628 473 A CB -0.499 18.524 19.000 0.037 0.000 0.816 473 A HN 0.546 nan 8.150 nan 0.000 0.444 474 S N -0.313 115.395 115.700 0.013 0.000 2.359 474 S HA -0.207 4.263 4.470 0.001 0.000 0.224 474 S C 2.053 176.658 174.600 0.008 0.000 1.035 474 S CA 1.929 60.134 58.200 0.008 0.000 1.018 474 S CB -0.300 62.902 63.200 0.004 0.000 0.876 474 S HN 0.610 nan 8.310 nan 0.000 0.448 475 K N 0.487 120.892 120.400 0.008 0.000 2.009 475 K HA -0.152 4.169 4.320 0.001 0.000 0.210 475 K C 2.773 179.378 176.600 0.008 0.000 1.049 475 K CA 1.762 58.053 56.287 0.007 0.000 0.929 475 K CB -0.468 32.036 32.500 0.008 0.000 0.714 475 K HN 0.385 nan 8.250 nan 0.000 0.440 476 R N 1.111 121.618 120.500 0.011 0.000 2.096 476 R HA -0.024 4.317 4.340 0.001 0.000 0.235 476 R C 2.328 178.635 176.300 0.011 0.000 1.127 476 R CA 1.782 57.889 56.100 0.011 0.000 0.968 476 R CB -1.544 28.764 30.300 0.014 0.000 0.861 476 R HN 0.396 nan 8.270 nan 0.000 0.440 477 A N 1.411 124.237 122.820 0.011 0.000 1.858 477 A HA -0.072 4.249 4.320 0.001 0.000 0.216 477 A C 2.036 179.625 177.584 0.008 0.000 1.190 477 A CA 1.746 53.789 52.037 0.010 0.000 0.617 477 A CB -0.550 18.457 19.000 0.011 0.000 0.827 477 A HN 0.942 nan 8.150 nan 0.000 0.443 478 S N -0.445 115.259 115.700 0.007 0.000 3.983 478 S HA 0.552 5.022 4.470 0.001 0.000 0.194 478 S C -0.011 174.592 174.600 0.005 0.000 1.464 478 S CA 0.591 58.794 58.200 0.005 0.000 1.021 478 S CB -0.660 62.542 63.200 0.004 0.000 1.424 478 S HN 0.965 nan 8.310 nan 0.000 0.473 479 E N 0.000 120.203 120.200 0.006 0.000 2.725 479 E HA 0.000 4.350 4.350 0.001 0.000 0.291 479 E CA 0.000 56.403 56.400 0.005 0.000 0.976 479 E CB 0.000 29.704 29.700 0.006 0.000 0.812 479 E HN 0.000 nan 8.360 nan 0.000 0.440