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 2d3b_1_H DATA FIRST_RESID 3 DATA SEQUENCE CLTDLVNLNL SDTTEKIIAE YIWIGGSGMD LRSKARTLPG PVTDPSKLPK DATA SEQUENCE WNYDGSSTGQ APGEDSEVIL YPQAIFKDPF RRGNNILVMC DCYTPAGEPI DATA SEQUENCE PTNKRYSAAK IFSSPEVAAE EPWYGIEQEY TLLQKDTNWP LGWPIGGFPG DATA SEQUENCE PQGPYYCGIG AEKSFGRDIV DAHYKACLYA GINISGINGE VMPGQWEFQV DATA SEQUENCE GPSVGISSGD QVWVARYILE RITEIAGVVV TFDPKPIPGD WNGAGAHTNY DATA SEQUENCE STESMRKEGG YEVIKAAIEK LKLRHKEHIA AYGEGNERRL TGRHETADIN DATA SEQUENCE TFSWGVANRG ASVRVGRETE QNGKGYFEDR RPASNMDPYV VTSMIAETTI DATA SEQUENCE VWK 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 3 C HA 0.000 nan 4.460 nan 0.000 0.325 3 C C 0.000 174.991 174.990 0.002 0.000 1.270 3 C CA 0.000 59.019 59.018 0.001 0.000 1.963 3 C CB 0.000 27.740 27.740 0.000 0.000 2.134 4 L N 2.231 123.454 121.223 0.001 0.000 2.162 4 L HA 0.145 4.486 4.340 0.001 0.000 0.205 4 L C 2.690 179.561 176.870 0.003 0.000 1.086 4 L CA 2.905 57.746 54.840 0.001 0.000 0.778 4 L CB -0.392 41.666 42.059 -0.001 0.000 0.928 4 L HN 0.912 nan 8.230 nan 0.000 0.446 5 T N -5.184 109.371 114.554 0.002 0.000 3.113 5 T HA -0.050 4.300 4.350 0.001 0.000 0.256 5 T C 1.399 176.102 174.700 0.004 0.000 1.131 5 T CA 0.617 62.719 62.100 0.003 0.000 1.074 5 T CB -0.391 68.478 68.868 0.001 0.000 0.944 5 T HN 0.201 nan 8.240 nan 0.000 0.516 6 D N 1.423 121.825 120.400 0.003 0.000 2.183 6 D HA 0.079 4.720 4.640 0.001 0.000 0.203 6 D C 1.957 178.262 176.300 0.007 0.000 0.969 6 D CA 0.748 54.750 54.000 0.004 0.000 0.842 6 D CB -0.006 40.796 40.800 0.003 0.000 0.957 6 D HN 0.416 nan 8.370 nan 0.000 0.484 7 L N 0.052 121.280 121.223 0.008 0.000 2.168 7 L HA -0.028 4.313 4.340 0.001 0.000 0.203 7 L C 2.466 179.345 176.870 0.016 0.000 1.078 7 L CA 0.257 55.104 54.840 0.012 0.000 0.780 7 L CB -0.204 41.861 42.059 0.010 0.000 0.939 7 L HN -0.136 nan 8.230 nan 0.000 0.451 8 V N 0.233 120.156 119.914 0.016 0.000 2.490 8 V HA -0.227 3.894 4.120 0.001 0.000 0.250 8 V C 1.446 177.556 176.094 0.026 0.000 1.061 8 V CA 1.543 63.857 62.300 0.023 0.000 1.064 8 V CB -0.537 31.298 31.823 0.021 0.000 0.670 8 V HN 0.502 nan 8.190 nan 0.000 0.461 9 N N -0.156 118.554 118.700 0.017 0.000 2.251 9 N HA 0.236 4.976 4.740 0.001 0.000 0.217 9 N C 0.240 175.758 175.510 0.013 0.000 1.124 9 N CA -0.030 53.028 53.050 0.013 0.000 0.843 9 N CB 0.261 38.751 38.487 0.003 0.000 1.024 9 N HN 0.383 nan 8.380 nan 0.000 0.501 10 L N 1.368 122.601 121.223 0.017 0.000 2.559 10 L HA -0.039 4.301 4.340 0.001 0.000 0.282 10 L C 0.836 177.718 176.870 0.019 0.000 1.232 10 L CA 0.256 55.106 54.840 0.016 0.000 0.885 10 L CB 0.233 42.302 42.059 0.017 0.000 1.131 10 L HN 0.011 nan 8.230 nan 0.000 0.498 11 N N 3.683 122.393 118.700 0.016 0.000 2.406 11 N HA 0.135 4.876 4.740 0.001 0.000 0.251 11 N C 0.623 176.145 175.510 0.019 0.000 1.069 11 N CA 0.012 53.073 53.050 0.019 0.000 0.947 11 N CB 1.076 39.573 38.487 0.016 0.000 1.111 11 N HN 0.543 nan 8.380 nan 0.000 0.497 12 L N 1.721 122.958 121.223 0.024 0.000 2.418 12 L HA -0.015 4.325 4.340 0.001 0.000 0.218 12 L C 1.841 178.721 176.870 0.018 0.000 1.125 12 L CA 0.314 55.167 54.840 0.021 0.000 0.835 12 L CB -0.045 42.030 42.059 0.026 0.000 0.953 12 L HN 0.453 nan 8.230 nan 0.000 0.454 13 S N 0.108 115.819 115.700 0.019 0.000 2.400 13 S HA -0.174 4.296 4.470 0.001 0.000 0.232 13 S C 1.259 175.865 174.600 0.011 0.000 1.025 13 S CA 1.357 59.567 58.200 0.015 0.000 0.993 13 S CB -0.245 62.965 63.200 0.017 0.000 0.808 13 S HN 0.481 nan 8.310 nan 0.000 0.478 14 D N 0.710 121.117 120.400 0.011 0.000 2.312 14 D HA 0.003 4.644 4.640 0.001 0.000 0.211 14 D C 1.586 177.890 176.300 0.007 0.000 0.964 14 D CA 1.045 55.050 54.000 0.008 0.000 0.877 14 D CB -0.232 40.572 40.800 0.008 0.000 0.924 14 D HN 0.431 nan 8.370 nan 0.000 0.515 15 T N -1.810 112.749 114.554 0.008 0.000 3.125 15 T HA 0.110 4.461 4.350 0.001 0.000 0.252 15 T C 1.079 175.783 174.700 0.006 0.000 0.981 15 T CA 0.480 62.584 62.100 0.007 0.000 1.069 15 T CB 0.692 69.565 68.868 0.009 0.000 1.091 15 T HN 0.268 nan 8.240 nan 0.000 0.460 16 T N -0.348 114.210 114.554 0.008 0.000 2.778 16 T HA 0.478 4.828 4.350 0.001 0.000 0.293 16 T C -0.190 174.514 174.700 0.006 0.000 1.144 16 T CA -0.716 61.387 62.100 0.006 0.000 1.010 16 T CB 2.187 71.057 68.868 0.005 0.000 1.325 16 T HN -0.011 nan 8.240 nan 0.000 0.515 17 E N -0.074 120.128 120.200 0.004 0.000 2.385 17 E HA 0.119 4.469 4.350 0.001 0.000 0.194 17 E C 0.318 176.920 176.600 0.004 0.000 1.013 17 E CA 0.013 56.414 56.400 0.003 0.000 0.866 17 E CB 0.188 29.887 29.700 -0.001 0.000 0.832 17 E HN 0.445 nan 8.360 nan 0.000 0.500 18 K N 0.837 121.239 120.400 0.004 0.000 2.455 18 K HA 0.089 4.410 4.320 0.001 0.000 0.269 18 K C -0.404 176.203 176.600 0.012 0.000 0.972 18 K CA 0.358 56.647 56.287 0.004 0.000 0.938 18 K CB 0.469 32.970 32.500 0.002 0.000 0.931 18 K HN -0.126 nan 8.250 nan 0.000 0.507 19 I N 1.730 122.308 120.570 0.012 0.000 2.769 19 I HA 0.317 4.487 4.170 0.001 0.000 0.298 19 I C -0.933 175.204 176.117 0.034 0.000 1.128 19 I CA -0.498 60.817 61.300 0.026 0.000 1.031 19 I CB 1.959 39.972 38.000 0.023 0.000 1.235 19 I HN 0.414 nan 8.210 nan 0.000 0.423 20 I N 5.115 125.720 120.570 0.057 0.000 2.330 20 I HA 0.616 4.787 4.170 0.001 0.000 0.289 20 I C -0.122 176.062 176.117 0.112 0.000 1.001 20 I CA -0.439 60.907 61.300 0.077 0.000 1.193 20 I CB 1.432 39.485 38.000 0.088 0.000 1.345 20 I HN 0.615 nan 8.210 nan 0.000 0.461 21 A N 5.174 128.075 122.820 0.136 0.000 2.271 21 A HA 0.559 4.880 4.320 0.001 0.000 0.317 21 A C -0.383 177.404 177.584 0.339 0.000 1.245 21 A CA -0.462 51.707 52.037 0.220 0.000 0.857 21 A CB 0.771 19.939 19.000 0.280 0.000 1.175 21 A HN 0.673 nan 8.150 nan 0.000 0.512 22 E N 2.194 122.578 120.200 0.307 0.000 2.035 22 E HA 0.412 4.763 4.350 0.001 0.000 0.271 22 E C -1.646 175.175 176.600 0.369 0.000 0.953 22 E CA -0.179 56.421 56.400 0.334 0.000 0.777 22 E CB 0.061 29.898 29.700 0.229 0.000 1.104 22 E HN 0.487 nan 8.360 nan 0.000 0.408 23 Y N 4.239 124.714 120.300 0.291 0.000 2.436 23 Y HA 0.265 4.815 4.550 0.001 0.000 0.343 23 Y C 0.230 176.299 175.900 0.282 0.000 1.008 23 Y CA -0.442 57.858 58.100 0.334 0.000 1.241 23 Y CB 0.409 39.197 38.460 0.546 0.000 1.153 23 Y HN 0.460 nan 8.280 nan 0.000 0.521 24 I N 4.771 125.467 120.570 0.210 0.000 2.359 24 I HA 0.327 4.497 4.170 0.001 0.000 0.294 24 I C -0.561 175.686 176.117 0.218 0.000 0.987 24 I CA -0.586 60.708 61.300 -0.009 0.000 1.225 24 I CB 0.832 38.642 38.000 -0.317 0.000 1.366 24 I HN 0.717 nan 8.210 nan 0.000 0.466 25 W N 5.680 126.903 121.300 -0.128 0.000 3.040 25 W HA 0.805 5.466 4.660 0.001 0.000 0.344 25 W C -1.917 174.459 176.519 -0.237 0.000 1.201 25 W CA -1.089 56.157 57.345 -0.165 0.000 1.119 25 W CB 0.383 29.750 29.460 -0.156 0.000 1.478 25 W HN 0.070 nan 8.180 nan 0.000 0.586 26 I N 2.471 122.982 120.570 -0.098 0.000 2.353 26 I HA 0.598 4.768 4.170 0.001 0.000 0.293 26 I C 0.903 176.998 176.117 -0.036 0.000 0.992 26 I CA -0.371 60.758 61.300 -0.285 0.000 1.268 26 I CB 1.137 38.836 38.000 -0.503 0.000 1.387 26 I HN 0.722 nan 8.210 nan 0.000 0.478 27 G N 2.881 111.617 108.800 -0.107 0.000 2.583 27 G HA2 0.385 4.345 3.960 0.001 0.000 0.280 27 G HA3 0.385 4.345 3.960 0.001 0.000 0.280 27 G C 1.017 175.940 174.900 0.039 0.000 1.376 27 G CA -0.101 45.016 45.100 0.028 0.000 1.043 27 G HN 0.763 nan 8.290 nan 0.000 0.538 28 G N -0.472 108.366 108.800 0.064 0.000 2.450 28 G HA2 -0.206 3.754 3.960 0.001 0.000 0.220 28 G HA3 -0.206 3.754 3.960 0.001 0.000 0.220 28 G C 2.043 176.963 174.900 0.033 0.000 1.130 28 G CA 2.034 47.165 45.100 0.051 0.000 0.760 28 G HN 1.046 nan 8.290 nan 0.000 0.557 29 S N -0.386 115.331 115.700 0.027 0.000 2.489 29 S HA 0.306 4.776 4.470 0.001 0.000 0.228 29 S C 2.035 176.660 174.600 0.043 0.000 0.995 29 S CA 1.062 59.282 58.200 0.034 0.000 0.934 29 S CB -0.249 62.972 63.200 0.036 0.000 0.771 29 S HN 1.618 nan 8.310 nan 0.000 0.522 30 G N 0.452 109.269 108.800 0.028 0.000 2.179 30 G HA2 -0.214 3.746 3.960 0.001 0.000 0.260 30 G HA3 -0.214 3.746 3.960 0.001 0.000 0.260 30 G C 0.525 175.486 174.900 0.101 0.000 0.977 30 G CA 0.619 45.742 45.100 0.038 0.000 0.641 30 G HN 0.494 nan 8.290 nan 0.000 0.533 31 M N 1.125 120.784 119.600 0.099 0.000 2.241 31 M HA 0.214 4.694 4.480 0.001 0.000 0.374 31 M C -0.308 176.076 176.300 0.139 0.000 0.922 31 M CA 0.267 55.679 55.300 0.186 0.000 1.031 31 M CB 0.517 33.205 32.600 0.147 0.000 1.864 31 M HN 0.459 nan 8.290 nan 0.000 0.636 32 D N 1.512 121.934 120.400 0.037 0.000 2.414 32 D HA 0.351 4.992 4.640 0.001 0.000 0.232 32 D C -0.554 175.681 176.300 -0.109 0.000 1.070 32 D CA -0.296 53.700 54.000 -0.008 0.000 0.839 32 D CB 1.694 42.478 40.800 -0.026 0.000 1.079 32 D HN 0.154 nan 8.370 nan 0.000 0.521 33 L N 2.190 123.373 121.223 -0.067 0.000 2.397 33 L HA 0.363 4.704 4.340 0.001 0.000 0.271 33 L C 0.869 177.558 176.870 -0.301 0.000 1.148 33 L CA -0.368 54.381 54.840 -0.152 0.000 0.825 33 L CB 0.644 42.752 42.059 0.081 0.000 1.117 33 L HN 0.203 nan 8.230 nan 0.000 0.456 34 R N 1.882 121.986 120.500 -0.661 0.000 2.795 34 R HA 0.718 5.058 4.340 0.001 0.000 0.275 34 R C -1.047 174.584 176.300 -1.115 0.000 0.981 34 R CA -0.729 54.795 56.100 -0.960 0.000 0.917 34 R CB 2.183 31.609 30.300 -1.456 0.000 1.202 34 R HN 0.741 nan 8.270 nan 0.000 0.469 35 S N 0.292 115.576 115.700 -0.693 0.000 2.570 35 S HA 0.711 5.181 4.470 0.001 0.000 0.270 35 S C -1.135 173.456 174.600 -0.014 0.000 1.149 35 S CA -0.983 57.036 58.200 -0.303 0.000 0.837 35 S CB 2.639 65.810 63.200 -0.048 0.000 1.124 35 S HN 0.679 nan 8.310 nan 0.000 0.465 36 K N 0.078 120.638 120.400 0.266 0.000 2.522 36 K HA 0.894 5.214 4.320 0.001 0.000 0.275 36 K C -1.303 175.559 176.600 0.436 0.000 1.006 36 K CA -1.248 55.207 56.287 0.280 0.000 0.890 36 K CB 1.688 34.310 32.500 0.203 0.000 1.475 36 K HN 0.991 nan 8.250 nan 0.000 0.441 37 A N 1.149 124.208 122.820 0.398 0.000 2.386 37 A HA 0.745 5.066 4.320 0.001 0.000 0.311 37 A C -1.054 176.688 177.584 0.264 0.000 1.068 37 A CA -0.994 51.250 52.037 0.345 0.000 0.743 37 A CB 1.168 20.303 19.000 0.224 0.000 1.258 37 A HN 0.849 nan 8.150 nan 0.000 0.429 38 R N 0.324 120.841 120.500 0.028 0.000 2.854 38 R HA 0.753 5.093 4.340 0.001 0.000 0.271 38 R C -1.250 174.986 176.300 -0.107 0.000 0.994 38 R CA -0.513 55.463 56.100 -0.206 0.000 0.945 38 R CB 1.278 31.067 30.300 -0.852 0.000 1.194 38 R HN 0.427 nan 8.270 nan 0.000 0.476 39 T N 3.134 117.627 114.554 -0.102 0.000 2.780 39 T HA 0.348 4.698 4.350 0.001 0.000 0.294 39 T C 0.083 174.730 174.700 -0.088 0.000 0.949 39 T CA -0.475 61.590 62.100 -0.058 0.000 1.074 39 T CB 0.435 69.284 68.868 -0.033 0.000 0.910 39 T HN 0.275 nan 8.240 nan 0.000 0.501 40 L N 4.839 126.032 121.223 -0.050 0.000 2.334 40 L HA 0.372 4.713 4.340 0.001 0.000 0.273 40 L C -1.619 175.234 176.870 -0.028 0.000 1.013 40 L CA -2.683 52.128 54.840 -0.047 0.000 0.816 40 L CB 2.110 44.154 42.059 -0.025 0.000 1.278 40 L HN 0.340 nan 8.230 nan 0.000 0.431 41 P HA -0.009 nan 4.420 nan 0.000 0.221 41 P C 0.321 177.613 177.300 -0.014 0.000 1.150 41 P CA 0.499 63.586 63.100 -0.022 0.000 0.800 41 P CB 0.370 32.055 31.700 -0.025 0.000 0.787 42 G N -2.030 106.763 108.800 -0.012 0.000 2.645 42 G HA2 0.497 4.458 3.960 0.001 0.000 0.292 42 G HA3 0.497 4.458 3.960 0.001 0.000 0.292 42 G C -3.249 171.647 174.900 -0.006 0.000 1.415 42 G CA -1.230 43.865 45.100 -0.008 0.000 0.785 42 G HN -0.317 nan 8.290 nan 0.000 0.483 43 P HA 0.403 nan 4.420 nan 0.000 0.269 43 P C -0.627 176.666 177.300 -0.013 0.000 1.217 43 P CA -0.216 62.881 63.100 -0.006 0.000 0.783 43 P CB 1.052 32.746 31.700 -0.009 0.000 0.898 44 V N 0.826 120.730 119.914 -0.016 0.000 2.808 44 V HA 0.326 4.447 4.120 0.001 0.000 0.308 44 V C 0.502 176.572 176.094 -0.039 0.000 1.099 44 V CA -0.434 61.851 62.300 -0.026 0.000 0.920 44 V CB 1.946 33.756 31.823 -0.023 0.000 1.014 44 V HN 0.625 nan 8.190 nan 0.000 0.425 45 T N -0.606 113.919 114.554 -0.047 0.000 2.959 45 T HA 0.159 4.509 4.350 0.001 0.000 0.254 45 T C 0.099 174.756 174.700 -0.072 0.000 1.003 45 T CA 0.064 62.126 62.100 -0.063 0.000 0.950 45 T CB 0.292 69.125 68.868 -0.058 0.000 1.090 45 T HN 0.656 nan 8.240 nan 0.000 0.503 46 D N 2.089 122.454 120.400 -0.059 0.000 2.329 46 D HA 0.369 5.009 4.640 0.001 0.000 0.232 46 D C -1.810 174.454 176.300 -0.061 0.000 1.088 46 D CA -2.496 51.468 54.000 -0.060 0.000 0.835 46 D CB 1.878 42.650 40.800 -0.046 0.000 1.078 46 D HN -0.198 nan 8.370 nan 0.000 0.495 47 P HA -0.198 nan 4.420 nan 0.000 0.218 47 P C 0.801 178.071 177.300 -0.049 0.000 1.152 47 P CA 1.210 64.269 63.100 -0.068 0.000 0.857 47 P CB 0.070 31.731 31.700 -0.064 0.000 0.787 48 S N -2.060 113.612 115.700 -0.046 0.000 2.603 48 S HA 0.099 4.570 4.470 0.001 0.000 0.220 48 S C 1.252 175.825 174.600 -0.044 0.000 0.967 48 S CA 0.294 58.465 58.200 -0.048 0.000 0.920 48 S CB -0.491 62.680 63.200 -0.048 0.000 0.773 48 S HN 0.204 nan 8.310 nan 0.000 0.529 49 K N 0.581 120.958 120.400 -0.038 0.000 2.373 49 K HA 0.383 4.703 4.320 0.001 0.000 0.202 49 K C -0.291 176.296 176.600 -0.022 0.000 1.025 49 K CA -0.101 56.167 56.287 -0.032 0.000 1.115 49 K CB 0.284 32.765 32.500 -0.031 0.000 0.858 49 K HN 0.353 nan 8.250 nan 0.000 0.525 50 L N 3.061 124.275 121.223 -0.015 0.000 2.334 50 L HA 0.306 4.647 4.340 0.001 0.000 0.277 50 L C -2.009 174.887 176.870 0.043 0.000 1.075 50 L CA -2.226 52.625 54.840 0.019 0.000 0.804 50 L CB 0.660 42.728 42.059 0.015 0.000 1.174 50 L HN -0.057 nan 8.230 nan 0.000 0.438 51 P HA 0.092 nan 4.420 nan 0.000 0.269 51 P C -0.978 176.417 177.300 0.159 0.000 1.209 51 P CA -0.260 62.872 63.100 0.053 0.000 0.776 51 P CB 0.639 32.329 31.700 -0.017 0.000 0.876 52 K N 1.163 121.639 120.400 0.127 0.000 2.219 52 K HA 0.289 4.609 4.320 0.001 0.000 0.258 52 K C -0.286 176.501 176.600 0.311 0.000 1.008 52 K CA 0.076 56.503 56.287 0.233 0.000 0.928 52 K CB 0.478 33.055 32.500 0.129 0.000 0.983 52 K HN 0.480 nan 8.250 nan 0.000 0.484 53 W N 1.502 122.880 121.300 0.130 0.000 3.060 53 W HA 0.299 4.960 4.660 0.001 0.000 0.346 53 W C -1.260 175.249 176.519 -0.018 0.000 1.194 53 W CA -0.801 56.537 57.345 -0.012 0.000 1.105 53 W CB 1.018 30.349 29.460 -0.216 0.000 1.487 53 W HN 0.746 nan 8.180 nan 0.000 0.592 54 N N 0.952 119.550 118.700 -0.171 0.000 2.509 54 N HA 0.546 5.287 4.740 0.001 0.000 0.280 54 N C -1.489 173.657 175.510 -0.606 0.000 1.306 54 N CA -0.323 52.515 53.050 -0.352 0.000 0.782 54 N CB 2.862 41.205 38.487 -0.240 0.000 1.493 54 N HN 0.440 nan 8.380 nan 0.000 0.498 55 Y N -2.262 117.690 120.300 -0.579 0.000 2.715 55 Y HA 0.488 5.039 4.550 0.001 0.000 0.331 55 Y C -1.135 174.583 175.900 -0.304 0.000 1.197 55 Y CA -1.205 56.572 58.100 -0.538 0.000 1.079 55 Y CB 0.534 38.554 38.460 -0.734 0.000 1.298 55 Y HN 0.362 nan 8.280 nan 0.000 0.477 56 D N 0.666 121.104 120.400 0.063 0.000 2.453 56 D HA 0.201 4.842 4.640 0.001 0.000 0.223 56 D C 1.113 177.479 176.300 0.109 0.000 1.183 56 D CA 0.430 54.439 54.000 0.015 0.000 0.933 56 D CB 0.981 41.810 40.800 0.049 0.000 1.038 56 D HN 0.926 nan 8.370 nan 0.000 0.513 57 G N 2.184 110.899 108.800 -0.142 0.000 2.470 57 G HA2 -0.252 3.709 3.960 0.001 0.000 0.220 57 G HA3 -0.252 3.709 3.960 0.001 0.000 0.220 57 G C 1.461 176.391 174.900 0.050 0.000 1.121 57 G CA 0.968 46.039 45.100 -0.048 0.000 0.766 57 G HN 0.533 nan 8.290 nan 0.000 0.553 58 S N -0.173 115.536 115.700 0.015 0.000 2.481 58 S HA 0.052 4.523 4.470 0.001 0.000 0.231 58 S C 2.005 176.634 174.600 0.049 0.000 0.996 58 S CA 1.333 59.546 58.200 0.021 0.000 0.942 58 S CB -0.052 63.146 63.200 -0.002 0.000 0.768 58 S HN 0.106 nan 8.310 nan 0.000 0.520 59 S N 1.116 116.866 115.700 0.083 0.000 2.556 59 S HA 0.157 4.627 4.470 0.001 0.000 0.216 59 S C 1.079 175.741 174.600 0.102 0.000 0.970 59 S CA 0.496 58.746 58.200 0.083 0.000 0.912 59 S CB 0.379 63.626 63.200 0.079 0.000 0.790 59 S HN 0.893 nan 8.310 nan 0.000 0.504 60 T N -2.228 112.412 114.554 0.143 0.000 3.170 60 T HA 0.426 4.777 4.350 0.001 0.000 0.288 60 T C 1.025 175.794 174.700 0.114 0.000 0.992 60 T CA 0.235 62.421 62.100 0.143 0.000 0.909 60 T CB 0.352 69.373 68.868 0.256 0.000 1.133 60 T HN 0.314 nan 8.240 nan 0.000 0.530 61 G N 1.855 110.706 108.800 0.084 0.000 2.338 61 G HA2 -0.266 3.694 3.960 0.001 0.000 0.296 61 G HA3 -0.266 3.694 3.960 0.001 0.000 0.296 61 G C 0.229 175.162 174.900 0.055 0.000 1.040 61 G CA 0.610 45.743 45.100 0.055 0.000 1.004 61 G HN 0.615 nan 8.290 nan 0.000 0.509 62 Q N -1.434 118.404 119.800 0.063 0.000 2.126 62 Q HA 0.574 4.914 4.340 0.001 0.000 0.233 62 Q C 0.707 176.697 176.000 -0.017 0.000 0.788 62 Q CA 0.628 56.455 55.803 0.040 0.000 0.968 62 Q CB 1.318 30.117 28.738 0.103 0.000 1.163 62 Q HN 1.221 nan 8.270 nan 0.000 0.471 63 A N 1.394 124.201 122.820 -0.021 0.000 2.604 63 A HA 0.620 4.940 4.320 0.001 0.000 0.295 63 A C -2.856 174.709 177.584 -0.032 0.000 1.067 63 A CA -1.243 50.764 52.037 -0.049 0.000 0.683 63 A CB 1.019 19.960 19.000 -0.097 0.000 1.281 63 A HN -0.156 nan 8.150 nan 0.000 0.407 64 P HA 0.187 nan 4.420 nan 0.000 0.271 64 P C 1.027 178.309 177.300 -0.029 0.000 1.233 64 P CA 0.580 63.665 63.100 -0.025 0.000 0.789 64 P CB 0.631 32.315 31.700 -0.026 0.000 0.951 65 G N 1.389 110.176 108.800 -0.021 0.000 2.408 65 G HA2 -0.220 3.741 3.960 0.001 0.000 0.217 65 G HA3 -0.220 3.741 3.960 0.001 0.000 0.217 65 G C 0.986 175.870 174.900 -0.026 0.000 1.150 65 G CA 0.544 45.631 45.100 -0.021 0.000 0.776 65 G HN 0.509 nan 8.290 nan 0.000 0.542 66 E N 0.061 120.246 120.200 -0.025 0.000 2.285 66 E HA 0.083 4.433 4.350 0.001 0.000 0.194 66 E C 0.348 176.928 176.600 -0.033 0.000 0.997 66 E CA 0.708 57.093 56.400 -0.025 0.000 0.845 66 E CB 0.236 29.924 29.700 -0.020 0.000 0.782 66 E HN 0.306 nan 8.360 nan 0.000 0.491 67 D N -0.373 120.003 120.400 -0.041 0.000 2.443 67 D HA 0.114 4.754 4.640 0.001 0.000 0.281 67 D C 0.232 176.489 176.300 -0.072 0.000 1.210 67 D CA -0.096 53.872 54.000 -0.053 0.000 0.875 67 D CB 0.313 41.084 40.800 -0.048 0.000 1.125 67 D HN -0.018 nan 8.370 nan 0.000 0.503 68 S N 1.132 116.784 115.700 -0.080 0.000 2.486 68 S HA 0.099 4.570 4.470 0.001 0.000 0.220 68 S C 0.667 175.167 174.600 -0.168 0.000 1.011 68 S CA -0.056 58.085 58.200 -0.099 0.000 0.921 68 S CB -0.022 63.133 63.200 -0.074 0.000 0.785 68 S HN 0.294 nan 8.310 nan 0.000 0.517 69 E N 1.466 121.564 120.200 -0.171 0.000 2.324 69 E HA 0.386 4.736 4.350 0.001 0.000 0.271 69 E C -1.198 175.211 176.600 -0.319 0.000 1.028 69 E CA -0.256 56.000 56.400 -0.240 0.000 0.890 69 E CB 1.318 30.919 29.700 -0.165 0.000 1.004 69 E HN 0.171 nan 8.360 nan 0.000 0.431 70 V N 4.886 124.471 119.914 -0.549 0.000 2.680 70 V HA 0.365 4.485 4.120 0.001 0.000 0.309 70 V C -0.136 175.629 176.094 -0.547 0.000 1.052 70 V CA -0.918 61.014 62.300 -0.614 0.000 0.908 70 V CB 1.752 33.035 31.823 -0.900 0.000 1.001 70 V HN 0.536 nan 8.190 nan 0.000 0.431 71 I N 4.244 124.646 120.570 -0.280 0.000 2.460 71 I HA 0.499 4.670 4.170 0.001 0.000 0.298 71 I C -0.379 175.745 176.117 0.013 0.000 0.989 71 I CA -0.612 60.639 61.300 -0.082 0.000 1.173 71 I CB 1.723 39.766 38.000 0.071 0.000 1.338 71 I HN 0.394 nan 8.210 nan 0.000 0.456 72 L N 5.674 127.001 121.223 0.173 0.000 2.305 72 L HA 0.361 4.702 4.340 0.001 0.000 0.284 72 L C -1.080 176.109 176.870 0.532 0.000 1.013 72 L CA -0.696 54.320 54.840 0.293 0.000 0.819 72 L CB 1.045 43.297 42.059 0.322 0.000 1.227 72 L HN 0.315 nan 8.230 nan 0.000 0.417 73 Y N 3.702 124.146 120.300 0.239 0.000 2.353 73 Y HA 0.351 4.902 4.550 0.001 0.000 0.340 73 Y C -2.082 173.899 175.900 0.136 0.000 0.972 73 Y CA -3.788 54.413 58.100 0.170 0.000 1.157 73 Y CB 0.740 39.291 38.460 0.151 0.000 1.157 73 Y HN 0.354 nan 8.280 nan 0.000 0.495 74 P HA 0.082 nan 4.420 nan 0.000 0.266 74 P C 0.152 177.493 177.300 0.067 0.000 1.215 74 P CA 0.198 63.326 63.100 0.048 0.000 0.763 74 P CB 0.943 32.623 31.700 -0.033 0.000 0.806 75 Q N 1.770 121.610 119.800 0.067 0.000 2.477 75 Q HA 0.339 4.680 4.340 0.001 0.000 0.252 75 Q C 0.411 176.423 176.000 0.019 0.000 0.869 75 Q CA 0.514 56.362 55.803 0.076 0.000 0.969 75 Q CB 0.724 29.544 28.738 0.136 0.000 1.144 75 Q HN 0.489 nan 8.270 nan 0.000 0.577 76 A N 0.701 123.518 122.820 -0.005 0.000 2.475 76 A HA 0.745 5.065 4.320 0.001 0.000 0.301 76 A C -1.134 176.295 177.584 -0.259 0.000 1.059 76 A CA -0.541 51.409 52.037 -0.145 0.000 0.710 76 A CB 1.363 20.317 19.000 -0.078 0.000 1.288 76 A HN 0.132 nan 8.150 nan 0.000 0.408 77 I N 1.255 121.534 120.570 -0.486 0.000 2.433 77 I HA 0.583 4.753 4.170 0.001 0.000 0.292 77 I C -1.357 174.335 176.117 -0.708 0.000 1.001 77 I CA -0.315 60.748 61.300 -0.395 0.000 1.119 77 I CB 1.625 39.489 38.000 -0.226 0.000 1.289 77 I HN 0.612 nan 8.210 nan 0.000 0.438 78 F N 3.650 123.591 119.950 -0.015 0.000 2.599 78 F HA 0.458 4.986 4.527 0.001 0.000 0.311 78 F C -0.170 175.632 175.800 0.002 0.000 1.076 78 F CA -1.062 56.930 58.000 -0.013 0.000 0.937 78 F CB 1.458 40.460 39.000 0.004 0.000 1.282 78 F HN 0.182 nan 8.300 nan 0.000 0.460 79 K N 0.878 121.379 120.400 0.169 0.000 2.350 79 K HA 0.108 4.428 4.320 0.001 0.000 0.279 79 K C -0.739 176.009 176.600 0.246 0.000 1.027 79 K CA -0.520 55.845 56.287 0.130 0.000 0.969 79 K CB 0.487 32.950 32.500 -0.063 0.000 0.954 79 K HN 0.433 nan 8.250 nan 0.000 0.474 80 D N 4.213 124.756 120.400 0.238 0.000 2.339 80 D HA 0.035 4.675 4.640 0.001 0.000 0.256 80 D C -1.511 174.860 176.300 0.118 0.000 1.214 80 D CA -2.149 51.977 54.000 0.209 0.000 0.877 80 D CB 1.138 42.072 40.800 0.223 0.000 1.111 80 D HN 0.279 nan 8.370 nan 0.000 0.478 81 P HA -0.033 nan 4.420 nan 0.000 0.236 81 P C 1.100 178.038 177.300 -0.603 0.000 1.177 81 P CA 0.498 63.261 63.100 -0.562 0.000 0.773 81 P CB 0.108 31.394 31.700 -0.689 0.000 0.878 82 F N 0.616 120.543 119.950 -0.038 0.000 2.188 82 F HA 0.173 4.700 4.527 0.001 0.000 0.289 82 F C 2.703 178.489 175.800 -0.022 0.000 1.082 82 F CA 0.706 58.684 58.000 -0.035 0.000 1.282 82 F CB -0.812 38.191 39.000 0.004 0.000 1.060 82 F HN -0.306 nan 8.300 nan 0.000 0.493 83 R N 0.243 120.862 120.500 0.198 0.000 2.240 83 R HA 0.113 4.454 4.340 0.001 0.000 0.203 83 R C 0.550 176.896 176.300 0.076 0.000 1.011 83 R CA 0.092 56.269 56.100 0.129 0.000 1.007 83 R CB -0.106 30.281 30.300 0.145 0.000 0.911 83 R HN 0.222 nan 8.270 nan 0.000 0.468 84 R N -1.547 118.983 120.500 0.050 0.000 3.596 84 R HA -0.294 4.047 4.340 0.001 0.000 0.573 84 R C 0.925 177.295 176.300 0.117 0.000 0.241 84 R CA 0.936 57.072 56.100 0.059 0.000 1.773 84 R CB -1.443 28.829 30.300 -0.047 0.000 0.930 84 R HN 0.467 nan 8.270 nan 0.000 0.597 85 G N -0.229 108.645 108.800 0.123 0.000 2.634 85 G HA2 -0.390 3.571 3.960 0.001 0.000 0.309 85 G HA3 -0.390 3.571 3.960 0.001 0.000 0.309 85 G C 0.173 175.132 174.900 0.098 0.000 1.265 85 G CA 0.703 45.861 45.100 0.096 0.000 0.998 85 G HN 0.656 nan 8.290 nan 0.000 0.551 86 N N 2.416 121.155 118.700 0.065 0.000 2.314 86 N HA 0.072 4.812 4.740 0.001 0.000 0.200 86 N C 0.332 175.877 175.510 0.058 0.000 1.135 86 N CA 0.106 53.184 53.050 0.048 0.000 0.835 86 N CB -0.176 38.328 38.487 0.027 0.000 0.989 86 N HN 0.469 nan 8.380 nan 0.000 0.478 87 N N 1.387 120.138 118.700 0.085 0.000 2.525 87 N HA 0.249 4.989 4.740 0.001 0.000 0.271 87 N C 0.336 175.917 175.510 0.118 0.000 1.194 87 N CA 0.005 53.114 53.050 0.099 0.000 0.964 87 N CB 1.605 40.159 38.487 0.111 0.000 1.126 87 N HN 0.182 nan 8.380 nan 0.000 0.452 88 I N -2.177 118.464 120.570 0.118 0.000 2.828 88 I HA 0.533 4.703 4.170 0.001 0.000 0.302 88 I C -0.962 175.243 176.117 0.147 0.000 1.101 88 I CA -1.106 60.265 61.300 0.117 0.000 1.031 88 I CB 1.621 39.657 38.000 0.061 0.000 1.231 88 I HN 0.121 nan 8.210 nan 0.000 0.427 89 L N 4.540 125.864 121.223 0.168 0.000 2.309 89 L HA 0.684 5.024 4.340 0.001 0.000 0.282 89 L C -0.720 176.224 176.870 0.122 0.000 1.036 89 L CA -1.049 53.885 54.840 0.156 0.000 0.806 89 L CB 1.904 44.077 42.059 0.189 0.000 1.220 89 L HN 0.399 nan 8.230 nan 0.000 0.429 90 V N 3.561 123.489 119.914 0.024 0.000 2.443 90 V HA 0.333 4.454 4.120 0.001 0.000 0.293 90 V C -0.032 176.047 176.094 -0.025 0.000 1.021 90 V CA -0.453 61.797 62.300 -0.083 0.000 0.848 90 V CB 1.642 33.216 31.823 -0.416 0.000 0.998 90 V HN 0.685 nan 8.190 nan 0.000 0.424 91 M N 5.273 124.928 119.600 0.091 0.000 2.211 91 M HA 0.519 4.999 4.480 0.001 0.000 0.356 91 M C -0.503 175.869 176.300 0.122 0.000 1.216 91 M CA 0.467 55.853 55.300 0.143 0.000 1.134 91 M CB 0.474 33.240 32.600 0.277 0.000 1.564 91 M HN 0.741 nan 8.290 nan 0.000 0.463 92 C N 2.547 121.940 119.300 0.156 0.000 2.913 92 C HA 0.737 5.198 4.460 0.001 0.000 0.322 92 C C -0.567 174.529 174.990 0.176 0.000 1.292 92 C CA -0.805 58.328 59.018 0.192 0.000 1.649 92 C CB 2.310 30.206 27.740 0.260 0.000 2.139 92 C HN 0.793 nan 8.230 nan 0.000 0.475 93 D N -0.412 120.102 120.400 0.189 0.000 2.575 93 D HA 0.536 5.177 4.640 0.001 0.000 0.236 93 D C -1.403 174.886 176.300 -0.018 0.000 1.075 93 D CA -0.069 53.990 54.000 0.099 0.000 0.860 93 D CB 1.909 42.887 40.800 0.297 0.000 1.475 93 D HN 0.605 nan 8.370 nan 0.000 0.474 94 C N 2.980 122.095 119.300 -0.307 0.000 2.322 94 C HA 0.606 5.066 4.460 0.001 0.000 0.324 94 C C -0.818 173.723 174.990 -0.748 0.000 1.284 94 C CA -0.561 58.250 59.018 -0.345 0.000 1.606 94 C CB -0.776 26.871 27.740 -0.155 0.000 2.251 94 C HN 0.432 nan 8.230 nan 0.000 0.502 95 Y N 0.622 120.690 120.300 -0.387 0.000 2.545 95 Y HA 0.528 5.078 4.550 0.001 0.000 0.348 95 Y C 0.869 176.602 175.900 -0.279 0.000 1.002 95 Y CA -0.644 57.216 58.100 -0.400 0.000 1.039 95 Y CB 1.416 39.485 38.460 -0.651 0.000 1.271 95 Y HN 0.671 nan 8.280 nan 0.000 0.467 96 T N -1.250 113.262 114.554 -0.070 0.000 2.813 96 T HA 0.158 4.509 4.350 0.001 0.000 0.297 96 T C -2.041 172.641 174.700 -0.031 0.000 1.036 96 T CA -1.476 60.579 62.100 -0.076 0.000 1.044 96 T CB 1.054 69.879 68.868 -0.072 0.000 0.993 96 T HN 0.392 nan 8.240 nan 0.000 0.535 97 P HA 0.110 nan 4.420 nan 0.000 0.225 97 P C 1.214 178.515 177.300 0.002 0.000 1.148 97 P CA 0.788 63.878 63.100 -0.017 0.000 0.779 97 P CB -0.255 31.424 31.700 -0.035 0.000 0.780 98 A N -0.556 122.260 122.820 -0.006 0.000 2.209 98 A HA 0.345 4.665 4.320 0.001 0.000 0.212 98 A C 1.757 179.351 177.584 0.017 0.000 1.158 98 A CA 0.984 53.022 52.037 0.000 0.000 0.742 98 A CB -1.348 17.645 19.000 -0.012 0.000 0.790 98 A HN 0.259 nan 8.150 nan 0.000 0.472 99 G N -0.889 107.933 108.800 0.037 0.000 2.141 99 G HA2 -0.185 3.776 3.960 0.001 0.000 0.242 99 G HA3 -0.185 3.776 3.960 0.001 0.000 0.242 99 G C -0.247 174.700 174.900 0.077 0.000 0.982 99 G CA 0.183 45.319 45.100 0.059 0.000 0.662 99 G HN 0.486 nan 8.290 nan 0.000 0.527 100 E N 1.394 121.616 120.200 0.037 0.000 2.313 100 E HA 0.339 4.689 4.350 0.001 0.000 0.276 100 E C -2.301 174.245 176.600 -0.090 0.000 1.031 100 E CA -1.868 54.509 56.400 -0.038 0.000 0.857 100 E CB 1.410 31.065 29.700 -0.075 0.000 1.040 100 E HN 0.257 nan 8.360 nan 0.000 0.408 101 P HA 0.108 nan 4.420 nan 0.000 0.276 101 P C 0.279 177.337 177.300 -0.404 0.000 1.243 101 P CA -0.211 62.499 63.100 -0.649 0.000 0.768 101 P CB 0.184 31.368 31.700 -0.861 0.000 0.856 102 I N 2.175 122.523 120.570 -0.370 0.000 2.836 102 I HA 0.158 4.328 4.170 0.001 0.000 0.285 102 I C -1.432 174.582 176.117 -0.172 0.000 1.174 102 I CA -1.933 59.235 61.300 -0.220 0.000 1.405 102 I CB -0.504 37.387 38.000 -0.181 0.000 1.385 102 I HN 0.114 nan 8.210 nan 0.000 0.594 103 P HA -0.176 nan 4.420 nan 0.000 0.218 103 P C 1.101 178.370 177.300 -0.053 0.000 1.146 103 P CA 1.781 64.839 63.100 -0.069 0.000 0.820 103 P CB -0.237 31.437 31.700 -0.042 0.000 0.778 104 T N -4.900 109.619 114.554 -0.057 0.000 3.129 104 T HA -0.010 4.340 4.350 0.001 0.000 0.251 104 T C 0.696 175.363 174.700 -0.056 0.000 1.117 104 T CA -0.269 61.811 62.100 -0.033 0.000 1.034 104 T CB -0.985 67.876 68.868 -0.013 0.000 0.968 104 T HN 0.190 nan 8.240 nan 0.000 0.526 105 N N 1.808 120.438 118.700 -0.116 0.000 2.555 105 N HA 0.064 4.804 4.740 0.001 0.000 0.244 105 N C 0.887 176.343 175.510 -0.090 0.000 1.114 105 N CA -0.524 52.431 53.050 -0.158 0.000 0.963 105 N CB 0.257 38.546 38.487 -0.330 0.000 1.276 105 N HN -0.001 nan 8.380 nan 0.000 0.510 106 K N 2.122 122.503 120.400 -0.030 0.000 2.487 106 K HA -0.065 4.255 4.320 0.001 0.000 0.192 106 K C 1.561 178.108 176.600 -0.088 0.000 1.027 106 K CA 0.164 56.466 56.287 0.025 0.000 1.054 106 K CB 0.128 32.720 32.500 0.154 0.000 0.824 106 K HN 0.577 nan 8.250 nan 0.000 0.510 107 R N -0.027 120.272 120.500 -0.335 0.000 2.093 107 R HA -0.110 4.231 4.340 0.001 0.000 0.224 107 R C 2.022 178.211 176.300 -0.184 0.000 1.101 107 R CA 0.810 56.538 56.100 -0.620 0.000 0.979 107 R CB -0.241 29.561 30.300 -0.829 0.000 0.877 107 R HN 0.120 nan 8.270 nan 0.000 0.441 108 Y N 1.242 121.436 120.300 -0.177 0.000 2.053 108 Y HA -0.311 4.240 4.550 0.001 0.000 0.277 108 Y C 2.375 178.261 175.900 -0.023 0.000 1.159 108 Y CA 2.550 60.617 58.100 -0.056 0.000 1.125 108 Y CB -0.308 38.110 38.460 -0.070 0.000 0.969 108 Y HN 0.101 nan 8.280 nan 0.000 0.492 109 S N 0.482 116.227 115.700 0.075 0.000 2.370 109 S HA -0.264 4.207 4.470 0.001 0.000 0.226 109 S C 2.171 176.728 174.600 -0.071 0.000 1.033 109 S CA 1.140 59.338 58.200 -0.003 0.000 1.011 109 S CB -0.919 62.315 63.200 0.057 0.000 0.852 109 S HN 0.634 nan 8.310 nan 0.000 0.457 110 A N 1.505 124.303 122.820 -0.037 0.000 1.968 110 A HA 0.310 4.630 4.320 0.001 0.000 0.217 110 A C 2.355 179.973 177.584 0.056 0.000 1.169 110 A CA 1.374 53.410 52.037 -0.002 0.000 0.638 110 A CB -0.969 18.118 19.000 0.145 0.000 0.812 110 A HN 0.523 nan 8.150 nan 0.000 0.446 111 A N -0.064 122.769 122.820 0.021 0.000 1.873 111 A HA -0.124 4.196 4.320 0.001 0.000 0.215 111 A C 2.112 179.693 177.584 -0.006 0.000 1.186 111 A CA 1.623 53.696 52.037 0.060 0.000 0.616 111 A CB -0.399 18.589 19.000 -0.019 0.000 0.823 111 A HN 0.358 nan 8.150 nan 0.000 0.442 112 K N -0.311 119.998 120.400 -0.150 0.000 2.074 112 K HA -0.145 4.176 4.320 0.001 0.000 0.209 112 K C 1.846 178.399 176.600 -0.079 0.000 1.048 112 K CA 1.623 57.825 56.287 -0.141 0.000 0.926 112 K CB -0.487 31.891 32.500 -0.203 0.000 0.713 112 K HN 0.611 nan 8.250 nan 0.000 0.444 113 I N -0.254 120.235 120.570 -0.135 0.000 2.315 113 I HA -0.228 3.943 4.170 0.001 0.000 0.248 113 I C 1.668 177.675 176.117 -0.184 0.000 1.117 113 I CA 1.089 62.262 61.300 -0.213 0.000 1.404 113 I CB -0.156 37.624 38.000 -0.366 0.000 1.071 113 I HN -0.010 nan 8.210 nan 0.000 0.419 114 F N 0.107 120.097 119.950 0.067 0.000 2.743 114 F HA 0.023 4.551 4.527 0.001 0.000 0.297 114 F C 2.493 178.337 175.800 0.072 0.000 1.131 114 F CA 0.349 58.407 58.000 0.097 0.000 1.426 114 F CB -0.508 38.563 39.000 0.119 0.000 1.116 114 F HN -0.087 nan 8.300 nan 0.000 0.583 115 S N -0.935 114.872 115.700 0.178 0.000 2.348 115 S HA -0.111 4.359 4.470 0.001 0.000 0.219 115 S C 1.048 175.699 174.600 0.085 0.000 1.033 115 S CA 0.477 58.743 58.200 0.110 0.000 0.974 115 S CB -0.514 62.719 63.200 0.054 0.000 0.868 115 S HN 0.267 nan 8.310 nan 0.000 0.459 116 S N 3.105 118.838 115.700 0.056 0.000 3.332 116 S HA -0.052 4.419 4.470 0.001 0.000 0.395 116 S C -1.816 172.825 174.600 0.069 0.000 1.180 116 S CA -0.738 57.490 58.200 0.047 0.000 0.985 116 S CB 0.434 63.650 63.200 0.027 0.000 0.694 116 S HN 0.063 nan 8.310 nan 0.000 0.502 117 P HA -0.080 nan 4.420 nan 0.000 0.221 117 P C 1.286 178.626 177.300 0.067 0.000 1.150 117 P CA 0.868 64.005 63.100 0.062 0.000 0.800 117 P CB 0.015 31.743 31.700 0.047 0.000 0.787 118 E N -0.213 120.025 120.200 0.063 0.000 2.435 118 E HA -0.017 4.333 4.350 0.001 0.000 0.195 118 E C 1.493 178.146 176.600 0.088 0.000 1.029 118 E CA 0.662 57.101 56.400 0.065 0.000 0.865 118 E CB -0.882 28.851 29.700 0.055 0.000 0.833 118 E HN 0.095 nan 8.360 nan 0.000 0.510 119 V N 1.737 121.715 119.914 0.107 0.000 2.374 119 V HA -0.033 4.088 4.120 0.001 0.000 0.241 119 V C 2.657 178.862 176.094 0.185 0.000 1.034 119 V CA 1.516 63.910 62.300 0.157 0.000 1.037 119 V CB -0.702 31.217 31.823 0.160 0.000 0.682 119 V HN 0.385 nan 8.190 nan 0.000 0.463 120 A N 0.296 123.221 122.820 0.174 0.000 1.948 120 A HA -0.216 4.104 4.320 0.001 0.000 0.220 120 A C 2.344 180.001 177.584 0.121 0.000 1.177 120 A CA 2.397 54.534 52.037 0.167 0.000 0.636 120 A CB -0.753 18.329 19.000 0.137 0.000 0.815 120 A HN 0.596 nan 8.150 nan 0.000 0.449 121 A N -0.878 121.997 122.820 0.092 0.000 1.930 121 A HA -0.092 4.229 4.320 0.001 0.000 0.217 121 A C 1.889 179.501 177.584 0.046 0.000 1.175 121 A CA 1.398 53.472 52.037 0.061 0.000 0.627 121 A CB -0.340 18.689 19.000 0.049 0.000 0.815 121 A HN 0.469 nan 8.150 nan 0.000 0.443 122 E N -0.228 120.008 120.200 0.061 0.000 2.418 122 E HA -0.086 4.265 4.350 0.001 0.000 0.197 122 E C -0.223 176.379 176.600 0.004 0.000 1.026 122 E CA 0.263 56.683 56.400 0.033 0.000 0.862 122 E CB -0.194 29.547 29.700 0.068 0.000 0.799 122 E HN 0.647 nan 8.360 nan 0.000 0.518 123 E N 1.055 121.291 120.200 0.061 0.000 2.513 123 E HA -0.164 4.187 4.350 0.001 0.000 0.156 123 E C -2.431 174.193 176.600 0.040 0.000 1.740 123 E CA -0.207 56.237 56.400 0.072 0.000 0.646 123 E CB -0.242 29.469 29.700 0.019 0.000 1.080 123 E HN 0.118 nan 8.360 nan 0.000 0.345 124 P HA 0.200 nan 4.420 nan 0.000 0.278 124 P C -0.679 176.763 177.300 0.237 0.000 1.238 124 P CA -0.122 63.045 63.100 0.113 0.000 0.794 124 P CB 0.481 32.410 31.700 0.382 0.000 0.955 125 W N 2.175 123.278 121.300 -0.329 0.000 2.683 125 W HA 0.392 5.052 4.660 0.001 0.000 0.329 125 W C -0.972 175.310 176.519 -0.395 0.000 1.037 125 W CA -0.054 57.146 57.345 -0.241 0.000 1.232 125 W CB 0.924 30.271 29.460 -0.187 0.000 1.390 125 W HN 0.282 nan 8.180 nan 0.000 0.465 126 Y N 1.423 121.819 120.300 0.160 0.000 2.409 126 Y HA 0.691 5.242 4.550 0.001 0.000 0.343 126 Y C 0.750 176.620 175.900 -0.049 0.000 0.973 126 Y CA -1.414 56.733 58.100 0.078 0.000 1.064 126 Y CB 2.034 40.534 38.460 0.065 0.000 1.207 126 Y HN 0.475 nan 8.280 nan 0.000 0.452 127 G N 3.004 111.835 108.800 0.052 0.000 2.487 127 G HA2 0.576 4.536 3.960 0.001 0.000 0.314 127 G HA3 0.576 4.536 3.960 0.001 0.000 0.314 127 G C -1.451 173.439 174.900 -0.017 0.000 1.267 127 G CA -0.666 44.412 45.100 -0.036 0.000 0.937 127 G HN 0.684 nan 8.290 nan 0.000 0.481 128 I N -0.213 120.334 120.570 -0.038 0.000 2.433 128 I HA 0.642 4.813 4.170 0.001 0.000 0.292 128 I C -0.489 175.544 176.117 -0.140 0.000 1.001 128 I CA -0.910 60.342 61.300 -0.080 0.000 1.119 128 I CB 2.045 39.970 38.000 -0.125 0.000 1.289 128 I HN 0.429 nan 8.210 nan 0.000 0.438 129 E N 5.575 125.687 120.200 -0.148 0.000 2.063 129 E HA 0.261 4.612 4.350 0.001 0.000 0.265 129 E C -1.031 175.367 176.600 -0.336 0.000 0.919 129 E CA -0.682 55.595 56.400 -0.205 0.000 0.756 129 E CB 1.177 30.813 29.700 -0.107 0.000 1.120 129 E HN 0.553 nan 8.360 nan 0.000 0.414 130 Q N 3.003 122.477 119.800 -0.542 0.000 2.307 130 Q HA 0.103 4.444 4.340 0.001 0.000 0.259 130 Q C -0.870 174.942 176.000 -0.313 0.000 0.998 130 Q CA 0.252 55.715 55.803 -0.565 0.000 0.923 130 Q CB 0.621 28.725 28.738 -1.056 0.000 1.196 130 Q HN 0.382 nan 8.270 nan 0.000 0.416 131 E N 2.922 123.033 120.200 -0.148 0.000 2.250 131 E HA 0.535 4.886 4.350 0.001 0.000 0.269 131 E C -1.218 175.473 176.600 0.151 0.000 1.018 131 E CA -0.664 55.702 56.400 -0.057 0.000 0.873 131 E CB 1.082 30.695 29.700 -0.145 0.000 1.134 131 E HN 0.646 nan 8.360 nan 0.000 0.403 132 Y N -2.569 117.700 120.300 -0.051 0.000 2.677 132 Y HA 0.548 5.099 4.550 0.001 0.000 0.334 132 Y C -1.138 174.692 175.900 -0.116 0.000 1.196 132 Y CA -1.197 56.829 58.100 -0.123 0.000 1.059 132 Y CB 1.174 39.510 38.460 -0.208 0.000 1.315 132 Y HN 0.224 nan 8.280 nan 0.000 0.455 133 T N 3.052 117.533 114.554 -0.123 0.000 2.841 133 T HA 0.589 4.940 4.350 0.001 0.000 0.283 133 T C -0.778 173.845 174.700 -0.128 0.000 1.000 133 T CA -0.722 61.264 62.100 -0.189 0.000 0.977 133 T CB 1.351 70.065 68.868 -0.256 0.000 0.979 133 T HN 0.611 nan 8.240 nan 0.000 0.446 134 L N 3.422 124.584 121.223 -0.102 0.000 2.307 134 L HA 0.620 4.960 4.340 0.001 0.000 0.282 134 L C -0.591 176.165 176.870 -0.191 0.000 1.051 134 L CA -0.794 54.000 54.840 -0.077 0.000 0.804 134 L CB 0.845 42.923 42.059 0.033 0.000 1.197 134 L HN 0.374 nan 8.230 nan 0.000 0.431 135 L N 2.550 123.667 121.223 -0.176 0.000 2.354 135 L HA 0.447 4.788 4.340 0.001 0.000 0.264 135 L C -0.363 176.427 176.870 -0.133 0.000 1.008 135 L CA -0.814 53.902 54.840 -0.206 0.000 0.819 135 L CB 2.138 44.080 42.059 -0.195 0.000 1.339 135 L HN 0.550 nan 8.230 nan 0.000 0.420 136 Q N 1.857 121.590 119.800 -0.112 0.000 2.332 136 Q HA 0.127 4.467 4.340 0.001 0.000 0.263 136 Q C -0.339 175.629 176.000 -0.054 0.000 0.979 136 Q CA 0.004 55.769 55.803 -0.063 0.000 0.885 136 Q CB 1.159 29.878 28.738 -0.031 0.000 1.218 136 Q HN 0.271 nan 8.270 nan 0.000 0.405 137 K N 2.469 122.839 120.400 -0.050 0.000 2.401 137 K HA -0.128 4.193 4.320 0.001 0.000 0.278 137 K C -0.431 176.146 176.600 -0.039 0.000 1.018 137 K CA 0.361 56.619 56.287 -0.047 0.000 0.981 137 K CB 0.435 32.907 32.500 -0.046 0.000 0.933 137 K HN 0.674 nan 8.250 nan 0.000 0.477 138 D N 0.440 120.816 120.400 -0.039 0.000 3.260 138 D HA -0.238 4.403 4.640 0.001 0.000 0.205 138 D C 1.189 177.467 176.300 -0.036 0.000 1.300 138 D CA 2.560 56.538 54.000 -0.036 0.000 2.160 138 D CB -1.197 39.581 40.800 -0.036 0.000 1.288 138 D HN 0.791 nan 8.370 nan 0.000 0.490 139 T N -1.512 113.022 114.554 -0.034 0.000 2.985 139 T HA -0.015 4.335 4.350 0.001 0.000 0.266 139 T C 0.935 175.636 174.700 0.001 0.000 1.076 139 T CA 1.759 63.837 62.100 -0.037 0.000 1.135 139 T CB -0.065 68.777 68.868 -0.043 0.000 0.890 139 T HN 0.278 nan 8.240 nan 0.000 0.480 140 N N 0.000 118.704 118.700 0.006 0.000 2.776 140 N HA -0.123 4.617 4.740 0.001 0.000 0.250 140 N C -0.836 174.713 175.510 0.065 0.000 1.112 140 N CA 0.831 53.883 53.050 0.005 0.000 0.733 140 N CB -1.644 36.840 38.487 -0.005 0.000 1.097 140 N HN 0.777 nan 8.380 nan 0.000 0.558 141 W N 0.512 121.670 121.300 -0.237 0.000 2.551 141 W HA 0.395 5.056 4.660 0.001 0.000 0.330 141 W C -2.225 174.027 176.519 -0.445 0.000 1.063 141 W CA -1.983 55.161 57.345 -0.335 0.000 1.222 141 W CB 1.341 30.652 29.460 -0.248 0.000 1.349 141 W HN -0.142 nan 8.180 nan 0.000 0.536 142 P HA -0.114 nan 4.420 nan 0.000 0.266 142 P C -0.005 176.870 177.300 -0.709 0.000 1.186 142 P CA 0.539 62.926 63.100 -1.187 0.000 0.767 142 P CB 0.484 30.643 31.700 -2.568 0.000 0.820 143 L N 2.585 123.554 121.223 -0.422 0.000 2.490 143 L HA 0.100 4.441 4.340 0.001 0.000 0.274 143 L C 1.580 178.260 176.870 -0.318 0.000 1.201 143 L CA 1.232 55.940 54.840 -0.220 0.000 0.869 143 L CB -0.515 41.509 42.059 -0.059 0.000 1.123 143 L HN 0.827 nan 8.230 nan 0.000 0.484 144 G N 2.711 111.260 108.800 -0.417 0.000 2.184 144 G HA2 -0.285 3.675 3.960 0.001 0.000 0.264 144 G HA3 -0.285 3.675 3.960 0.001 0.000 0.264 144 G C -0.329 174.188 174.900 -0.639 0.000 0.975 144 G CA -0.027 44.473 45.100 -1.000 0.000 0.642 144 G HN 0.567 nan 8.290 nan 0.000 0.536 145 W N 2.324 123.281 121.300 -0.571 0.000 2.261 145 W HA 0.575 5.236 4.660 0.001 0.000 0.323 145 W C -1.456 175.001 176.519 -0.103 0.000 1.243 145 W CA -2.282 54.859 57.345 -0.339 0.000 1.210 145 W CB 0.359 29.532 29.460 -0.479 0.000 1.149 145 W HN 0.014 nan 8.180 nan 0.000 0.562 146 P HA 0.230 nan 4.420 nan 0.000 0.278 146 P C -0.480 176.912 177.300 0.153 0.000 1.238 146 P CA -0.256 62.912 63.100 0.114 0.000 0.794 146 P CB 0.954 32.686 31.700 0.053 0.000 0.955 147 I N 0.880 121.454 120.570 0.006 0.000 2.598 147 I HA 0.276 4.447 4.170 0.001 0.000 0.284 147 I C 1.557 177.474 176.117 -0.333 0.000 1.140 147 I CA 0.484 61.656 61.300 -0.213 0.000 1.420 147 I CB -0.872 37.019 38.000 -0.182 0.000 1.387 147 I HN 0.683 nan 8.210 nan 0.000 0.553 148 G N 3.646 112.021 108.800 -0.709 0.000 2.272 148 G HA2 0.095 4.055 3.960 0.001 0.000 0.280 148 G HA3 0.095 4.055 3.960 0.001 0.000 0.280 148 G C 0.160 174.882 174.900 -0.296 0.000 1.067 148 G CA 0.004 44.760 45.100 -0.572 0.000 0.902 148 G HN 1.372 nan 8.290 nan 0.000 0.500 149 G N -1.825 106.828 108.800 -0.245 0.000 2.495 149 G HA2 0.745 4.706 3.960 0.001 0.000 0.294 149 G HA3 0.745 4.706 3.960 0.001 0.000 0.294 149 G C -1.160 173.644 174.900 -0.160 0.000 1.397 149 G CA -0.798 44.250 45.100 -0.086 0.000 0.790 149 G HN 0.638 nan 8.290 nan 0.000 0.486 150 F N 0.410 120.447 119.950 0.146 0.000 2.593 150 F HA 0.731 5.258 4.527 0.001 0.000 0.320 150 F C -1.722 173.924 175.800 -0.257 0.000 1.060 150 F CA -1.584 56.328 58.000 -0.147 0.000 0.940 150 F CB 2.322 41.349 39.000 0.046 0.000 1.268 150 F HN 0.355 nan 8.300 nan 0.000 0.475 151 P HA 0.308 nan 4.420 nan 0.000 0.293 151 P C -0.236 177.130 177.300 0.109 0.000 1.304 151 P CA -0.399 62.601 63.100 -0.168 0.000 0.767 151 P CB 0.374 31.846 31.700 -0.380 0.000 1.247 152 G N 0.223 109.151 108.800 0.215 0.000 2.647 152 G HA2 0.255 4.215 3.960 0.001 0.000 0.234 152 G HA3 0.255 4.215 3.960 0.001 0.000 0.234 152 G C -2.341 172.772 174.900 0.355 0.000 1.252 152 G CA -0.468 44.775 45.100 0.237 0.000 0.846 152 G HN 0.356 nan 8.290 nan 0.000 0.589 153 P HA 0.098 nan 4.420 nan 0.000 0.272 153 P C 0.168 177.611 177.300 0.239 0.000 1.230 153 P CA -0.317 62.830 63.100 0.079 0.000 0.788 153 P CB 0.490 32.147 31.700 -0.072 0.000 0.949 154 Q N 0.039 119.952 119.800 0.188 0.000 2.414 154 Q HA 0.247 4.587 4.340 0.001 0.000 0.288 154 Q C 1.106 177.197 176.000 0.152 0.000 1.086 154 Q CA 1.659 57.664 55.803 0.338 0.000 0.943 154 Q CB -0.104 28.758 28.738 0.206 0.000 1.282 154 Q HN 0.836 nan 8.270 nan 0.000 0.438 155 G N 1.514 110.393 108.800 0.131 0.000 4.220 155 G HA2 -0.148 3.813 3.960 0.001 0.000 0.197 155 G HA3 -0.148 3.813 3.960 0.001 0.000 0.197 155 G C -1.693 173.145 174.900 -0.103 0.000 1.518 155 G CA 0.013 45.106 45.100 -0.013 0.000 0.955 155 G HN 0.632 nan 8.290 nan 0.000 0.353 156 P HA 0.213 nan 4.420 nan 0.000 0.241 156 P C 0.816 177.917 177.300 -0.332 0.000 1.191 156 P CA 0.670 63.551 63.100 -0.365 0.000 0.771 156 P CB -0.152 31.256 31.700 -0.486 0.000 0.929 157 Y N -1.430 118.876 120.300 0.010 0.000 2.301 157 Y HA 0.019 4.570 4.550 0.001 0.000 0.295 157 Y C 1.391 177.240 175.900 -0.085 0.000 1.119 157 Y CA -0.437 57.629 58.100 -0.056 0.000 1.162 157 Y CB -0.972 37.475 38.460 -0.023 0.000 1.046 157 Y HN -0.194 nan 8.280 nan 0.000 0.538 158 Y N 1.180 121.488 120.300 0.014 0.000 2.804 158 Y HA -0.056 4.494 4.550 0.001 0.000 0.338 158 Y C 0.776 176.635 175.900 -0.069 0.000 1.252 158 Y CA -0.555 57.514 58.100 -0.052 0.000 1.576 158 Y CB -0.213 38.238 38.460 -0.015 0.000 1.223 158 Y HN 0.398 nan 8.280 nan 0.000 0.536 159 C N 3.884 122.857 119.300 -0.545 0.000 4.233 159 C HA -0.218 4.242 4.460 0.001 0.000 0.292 159 C C 1.334 176.219 174.990 -0.176 0.000 1.469 159 C CA 0.571 59.342 59.018 -0.412 0.000 2.013 159 C CB -2.361 25.069 27.740 -0.517 0.000 1.282 159 C HN 1.252 nan 8.230 nan 0.000 0.796 160 G N -0.406 108.307 108.800 -0.145 0.000 2.580 160 G HA2 0.674 4.635 3.960 0.001 0.000 0.278 160 G HA3 0.674 4.635 3.960 0.001 0.000 0.278 160 G C -0.502 174.362 174.900 -0.060 0.000 1.212 160 G CA -0.016 45.030 45.100 -0.090 0.000 0.939 160 G HN 1.139 nan 8.290 nan 0.000 0.513 161 I N -3.279 117.263 120.570 -0.046 0.000 2.769 161 I HA 0.899 5.070 4.170 0.001 0.000 0.298 161 I C 0.047 176.142 176.117 -0.037 0.000 1.128 161 I CA -0.837 60.451 61.300 -0.020 0.000 1.031 161 I CB 2.282 40.282 38.000 0.000 0.000 1.235 161 I HN 1.327 nan 8.210 nan 0.000 0.423 162 G N 2.398 111.181 108.800 -0.027 0.000 2.375 162 G HA2 0.338 4.298 3.960 0.001 0.000 0.663 162 G HA3 0.338 4.298 3.960 0.001 0.000 0.663 162 G C 0.035 174.912 174.900 -0.038 0.000 1.391 162 G CA -0.258 44.827 45.100 -0.026 0.000 0.949 162 G HN 1.331 nan 8.290 nan 0.000 0.646 163 A N -0.222 122.600 122.820 0.004 0.000 2.070 163 A HA 0.146 4.467 4.320 0.001 0.000 0.220 163 A C 1.906 179.520 177.584 0.051 0.000 1.159 163 A CA 2.392 54.453 52.037 0.040 0.000 0.656 163 A CB -0.345 18.701 19.000 0.076 0.000 0.800 163 A HN 1.083 nan 8.150 nan 0.000 0.453 164 E N -0.021 120.194 120.200 0.025 0.000 2.474 164 E HA 0.054 4.405 4.350 0.001 0.000 0.194 164 E C 1.335 177.921 176.600 -0.024 0.000 1.041 164 E CA 0.848 57.305 56.400 0.095 0.000 0.874 164 E CB 0.030 29.789 29.700 0.099 0.000 0.914 164 E HN 0.662 nan 8.360 nan 0.000 0.498 165 K N -0.248 120.015 120.400 -0.229 0.000 2.399 165 K HA 0.238 4.559 4.320 0.001 0.000 0.196 165 K C 0.376 176.672 176.600 -0.507 0.000 1.117 165 K CA 0.206 56.362 56.287 -0.220 0.000 0.965 165 K CB 0.909 33.316 32.500 -0.154 0.000 0.983 165 K HN -0.059 nan 8.250 nan 0.000 0.531 166 S N 1.318 116.617 115.700 -0.668 0.000 2.653 166 S HA 0.423 4.893 4.470 0.001 0.000 0.272 166 S C -1.379 173.097 174.600 -0.206 0.000 1.221 166 S CA -0.803 57.188 58.200 -0.349 0.000 1.149 166 S CB -0.003 63.167 63.200 -0.049 0.000 1.029 166 S HN 0.066 nan 8.310 nan 0.000 0.481 167 F N 2.562 122.695 119.950 0.305 0.000 2.371 167 F HA 0.583 5.111 4.527 0.001 0.000 0.363 167 F C 1.407 177.431 175.800 0.373 0.000 1.122 167 F CA -0.596 57.570 58.000 0.276 0.000 1.129 167 F CB 1.093 40.201 39.000 0.180 0.000 1.173 167 F HN 0.739 nan 8.300 nan 0.000 0.489 168 G N 2.500 111.505 108.800 0.341 0.000 2.165 168 G HA2 -0.299 3.661 3.960 0.001 0.000 0.226 168 G HA3 -0.299 3.661 3.960 0.001 0.000 0.226 168 G C 1.316 176.116 174.900 -0.167 0.000 1.035 168 G CA 0.199 45.362 45.100 0.105 0.000 0.744 168 G HN 0.692 nan 8.290 nan 0.000 0.501 169 R N -0.121 120.316 120.500 -0.105 0.000 2.105 169 R HA -0.119 4.222 4.340 0.001 0.000 0.239 169 R C 2.113 178.266 176.300 -0.245 0.000 1.135 169 R CA 1.985 57.895 56.100 -0.317 0.000 0.967 169 R CB -0.295 29.982 30.300 -0.038 0.000 0.861 169 R HN 0.404 nan 8.270 nan 0.000 0.442 170 D N 0.510 120.842 120.400 -0.114 0.000 2.204 170 D HA -0.248 4.392 4.640 0.001 0.000 0.189 170 D C 1.766 178.002 176.300 -0.107 0.000 1.006 170 D CA 1.980 55.932 54.000 -0.080 0.000 0.855 170 D CB -0.236 40.541 40.800 -0.039 0.000 0.946 170 D HN 0.295 nan 8.370 nan 0.000 0.448 171 I N -0.258 120.226 120.570 -0.142 0.000 2.142 171 I HA -0.245 3.925 4.170 0.001 0.000 0.240 171 I C 2.450 178.477 176.117 -0.149 0.000 1.078 171 I CA 0.552 61.775 61.300 -0.128 0.000 1.343 171 I CB -0.212 37.710 38.000 -0.131 0.000 1.046 171 I HN -0.058 nan 8.210 nan 0.000 0.405 172 V N 0.753 120.480 119.914 -0.313 0.000 2.233 172 V HA -0.351 3.770 4.120 0.001 0.000 0.247 172 V C 2.153 178.207 176.094 -0.067 0.000 1.050 172 V CA 2.260 64.391 62.300 -0.282 0.000 1.010 172 V CB -0.667 30.721 31.823 -0.726 0.000 0.637 172 V HN 0.401 nan 8.190 nan 0.000 0.444 173 D N -0.093 120.258 120.400 -0.081 0.000 2.149 173 D HA -0.140 4.500 4.640 0.001 0.000 0.198 173 D C 2.173 178.486 176.300 0.022 0.000 0.990 173 D CA 1.614 55.626 54.000 0.021 0.000 0.839 173 D CB -0.362 40.429 40.800 -0.015 0.000 0.948 173 D HN 0.435 nan 8.370 nan 0.000 0.460 174 A N 0.261 123.073 122.820 -0.014 0.000 1.865 174 A HA -0.247 4.074 4.320 0.001 0.000 0.217 174 A C 2.144 179.721 177.584 -0.011 0.000 1.191 174 A CA 1.842 53.865 52.037 -0.023 0.000 0.623 174 A CB -0.994 17.992 19.000 -0.023 0.000 0.826 174 A HN 0.425 nan 8.150 nan 0.000 0.444 175 H N -2.241 116.776 119.070 -0.087 0.000 2.352 175 H HA -0.205 4.352 4.556 0.001 0.000 0.299 175 H C 1.971 177.250 175.328 -0.082 0.000 1.097 175 H CA 2.088 58.059 56.048 -0.128 0.000 1.311 175 H CB -0.407 29.242 29.762 -0.188 0.000 1.377 175 H HN 0.687 nan 8.280 nan 0.000 0.504 176 Y N 1.474 121.680 120.300 -0.157 0.000 2.053 176 Y HA -0.286 4.265 4.550 0.001 0.000 0.277 176 Y C 2.797 178.579 175.900 -0.196 0.000 1.159 176 Y CA 1.595 59.589 58.100 -0.176 0.000 1.125 176 Y CB 0.090 38.517 38.460 -0.056 0.000 0.969 176 Y HN 0.186 nan 8.280 nan 0.000 0.492 177 K N 0.004 120.386 120.400 -0.031 0.000 2.026 177 K HA -0.200 4.120 4.320 0.001 0.000 0.208 177 K C 2.311 178.844 176.600 -0.111 0.000 1.048 177 K CA 0.926 57.143 56.287 -0.116 0.000 0.929 177 K CB -0.435 31.989 32.500 -0.128 0.000 0.713 177 K HN 0.385 nan 8.250 nan 0.000 0.439 178 A N 1.527 124.239 122.820 -0.181 0.000 1.881 178 A HA -0.298 4.023 4.320 0.001 0.000 0.219 178 A C 2.531 179.999 177.584 -0.195 0.000 1.215 178 A CA 2.146 54.029 52.037 -0.257 0.000 0.648 178 A CB -1.367 17.427 19.000 -0.344 0.000 0.832 178 A HN 0.485 nan 8.150 nan 0.000 0.455 179 C N -1.082 118.035 119.300 -0.306 0.000 2.398 179 C HA -0.117 4.344 4.460 0.001 0.000 0.276 179 C C 2.678 177.599 174.990 -0.115 0.000 1.222 179 C CA 1.154 59.995 59.018 -0.294 0.000 1.746 179 C CB -1.651 25.792 27.740 -0.496 0.000 2.039 179 C HN 0.642 nan 8.230 nan 0.000 0.470 180 L N -0.687 120.506 121.223 -0.050 0.000 2.042 180 L HA -0.219 4.122 4.340 0.001 0.000 0.210 180 L C 2.479 179.358 176.870 0.014 0.000 1.076 180 L CA 2.048 56.884 54.840 -0.007 0.000 0.749 180 L CB -0.746 41.301 42.059 -0.020 0.000 0.893 180 L HN 0.498 nan 8.230 nan 0.000 0.432 181 Y N 0.414 120.653 120.300 -0.102 0.000 2.163 181 Y HA -0.260 4.291 4.550 0.001 0.000 0.288 181 Y C 2.505 178.373 175.900 -0.054 0.000 1.136 181 Y CA 1.406 59.455 58.100 -0.085 0.000 1.147 181 Y CB -0.245 38.147 38.460 -0.113 0.000 0.987 181 Y HN 0.097 nan 8.280 nan 0.000 0.509 182 A N 0.110 123.042 122.820 0.185 0.000 1.986 182 A HA -0.035 4.285 4.320 0.001 0.000 0.220 182 A C 2.076 179.734 177.584 0.124 0.000 1.171 182 A CA 2.073 54.186 52.037 0.125 0.000 0.640 182 A CB -1.541 17.491 19.000 0.053 0.000 0.811 182 A HN 1.211 nan 8.150 nan 0.000 0.451 183 G N -2.527 106.317 108.800 0.072 0.000 2.175 183 G HA2 -0.124 3.837 3.960 0.001 0.000 0.182 183 G HA3 -0.124 3.837 3.960 0.001 0.000 0.182 183 G C -0.004 174.997 174.900 0.167 0.000 1.003 183 G CA -0.074 45.094 45.100 0.113 0.000 0.666 183 G HN 0.360 nan 8.290 nan 0.000 0.506 184 I N 1.526 122.132 120.570 0.059 0.000 2.556 184 I HA 0.108 4.278 4.170 0.001 0.000 0.284 184 I C 0.699 176.813 176.117 -0.005 0.000 1.114 184 I CA -0.413 60.873 61.300 -0.023 0.000 1.418 184 I CB 0.737 38.620 38.000 -0.195 0.000 1.394 184 I HN 0.160 nan 8.210 nan 0.000 0.552 185 N N 7.071 125.779 118.700 0.012 0.000 2.549 185 N HA 0.134 4.874 4.740 0.001 0.000 0.267 185 N C -0.536 174.972 175.510 -0.003 0.000 1.182 185 N CA 0.045 53.092 53.050 -0.004 0.000 1.019 185 N CB -0.069 38.399 38.487 -0.030 0.000 1.380 185 N HN 0.558 nan 8.380 nan 0.000 0.505 186 I N 2.081 122.659 120.570 0.014 0.000 2.331 186 I HA 0.155 4.326 4.170 0.001 0.000 0.292 186 I C 1.111 177.266 176.117 0.064 0.000 0.998 186 I CA -0.076 61.240 61.300 0.028 0.000 1.267 186 I CB 0.924 38.911 38.000 -0.022 0.000 1.386 186 I HN 0.564 nan 8.210 nan 0.000 0.476 187 S N 4.836 120.556 115.700 0.034 0.000 2.502 187 S HA 0.529 4.999 4.470 0.001 0.000 0.215 187 S C 0.488 175.116 174.600 0.046 0.000 1.009 187 S CA 0.248 58.473 58.200 0.041 0.000 0.908 187 S CB 0.347 63.551 63.200 0.006 0.000 0.801 187 S HN 0.922 nan 8.310 nan 0.000 0.505 188 G N 0.724 109.488 108.800 -0.060 0.000 2.328 188 G HA2 0.476 4.436 3.960 0.001 0.000 0.295 188 G HA3 0.476 4.436 3.960 0.001 0.000 0.295 188 G C -1.480 173.278 174.900 -0.237 0.000 1.413 188 G CA -0.487 44.543 45.100 -0.116 0.000 0.817 188 G HN 0.822 nan 8.290 nan 0.000 0.546 189 I N -2.052 118.414 120.570 -0.174 0.000 3.264 189 I HA 0.987 5.158 4.170 0.001 0.000 0.315 189 I C -0.999 175.162 176.117 0.073 0.000 1.154 189 I CA -1.462 59.819 61.300 -0.031 0.000 0.962 189 I CB 2.837 40.794 38.000 -0.072 0.000 1.265 189 I HN 0.968 nan 8.210 nan 0.000 0.463 190 N N -0.110 118.681 118.700 0.152 0.000 3.340 190 N HA 0.439 5.179 4.740 0.001 0.000 0.234 190 N C -0.921 174.633 175.510 0.073 0.000 1.196 190 N CA -0.770 52.328 53.050 0.080 0.000 0.958 190 N CB 1.062 39.509 38.487 -0.067 0.000 1.608 190 N HN 1.021 nan 8.380 nan 0.000 0.515 191 G N 0.449 109.144 108.800 -0.175 0.000 2.365 191 G HA2 0.301 4.262 3.960 0.001 0.000 0.249 191 G HA3 0.301 4.262 3.960 0.001 0.000 0.249 191 G C -0.304 174.283 174.900 -0.521 0.000 1.288 191 G CA -0.108 44.534 45.100 -0.763 0.000 0.887 191 G HN 0.564 nan 8.290 nan 0.000 0.524 192 E N 0.873 120.783 120.200 -0.484 0.000 0.000 192 E HA 0.198 4.548 4.350 0.001 0.000 0.000 192 E C 1.740 178.339 176.600 -0.002 0.000 0.000 192 E CA -0.780 55.537 56.400 -0.138 0.000 0.000 192 E CB 1.503 31.121 29.700 -0.135 0.000 0.000 192 E HN 0.113 nan 8.360 nan 0.000 0.000 193 V N 0.586 120.587 119.914 0.145 0.000 2.343 193 V HA -0.141 3.980 4.120 0.001 0.000 0.247 193 V C 1.567 177.772 176.094 0.185 0.000 1.051 193 V CA 1.324 63.739 62.300 0.192 0.000 1.036 193 V CB -0.252 31.654 31.823 0.139 0.000 0.654 193 V HN 0.530 nan 8.190 nan 0.000 0.451 194 M N 3.064 122.718 119.600 0.090 0.000 2.146 194 M HA 0.301 4.782 4.480 0.001 0.000 0.357 194 M C -2.488 173.764 176.300 -0.081 0.000 1.261 194 M CA -1.909 53.447 55.300 0.094 0.000 1.106 194 M CB 1.554 34.206 32.600 0.086 0.000 1.612 194 M HN -0.017 nan 8.290 nan 0.000 0.470 195 P HA 0.082 nan 4.420 nan 0.000 0.262 195 P C 0.414 177.776 177.300 0.102 0.000 1.199 195 P CA 1.033 63.949 63.100 -0.306 0.000 0.763 195 P CB 0.348 31.562 31.700 -0.811 0.000 0.790 196 G N 1.857 110.704 108.800 0.079 0.000 2.179 196 G HA2 -0.207 3.754 3.960 0.001 0.000 0.220 196 G HA3 -0.207 3.754 3.960 0.001 0.000 0.220 196 G C -0.067 174.772 174.900 -0.102 0.000 0.990 196 G CA -0.203 44.933 45.100 0.061 0.000 0.646 196 G HN 0.673 nan 8.290 nan 0.000 0.517 197 Q N -0.764 118.850 119.800 -0.311 0.000 2.309 197 Q HA 0.666 5.007 4.340 0.001 0.000 0.264 197 Q C -0.923 174.698 176.000 -0.633 0.000 1.008 197 Q CA -1.018 54.570 55.803 -0.358 0.000 0.853 197 Q CB 1.341 29.923 28.738 -0.259 0.000 1.314 197 Q HN 0.318 nan 8.270 nan 0.000 0.448 198 W N 0.945 121.897 121.300 -0.580 0.000 3.047 198 W HA 0.481 5.142 4.660 0.001 0.000 0.341 198 W C -0.781 175.411 176.519 -0.545 0.000 1.225 198 W CA -0.551 56.463 57.345 -0.552 0.000 1.150 198 W CB 1.722 30.838 29.460 -0.573 0.000 1.470 198 W HN 0.579 nan 8.180 nan 0.000 0.578 199 E N 0.997 121.262 120.200 0.107 0.000 2.367 199 E HA 0.652 5.003 4.350 0.001 0.000 0.273 199 E C -1.673 175.109 176.600 0.303 0.000 0.903 199 E CA -0.823 55.639 56.400 0.102 0.000 0.764 199 E CB 2.111 31.817 29.700 0.011 0.000 1.252 199 E HN 0.278 nan 8.360 nan 0.000 0.446 200 F N 0.107 120.154 119.950 0.161 0.000 2.613 200 F HA 0.587 5.114 4.527 0.001 0.000 0.310 200 F C -1.519 174.281 175.800 0.001 0.000 1.085 200 F CA -0.885 57.143 58.000 0.047 0.000 0.945 200 F CB 1.410 40.455 39.000 0.074 0.000 1.298 200 F HN 0.227 nan 8.300 nan 0.000 0.455 201 Q N 1.915 121.809 119.800 0.156 0.000 2.331 201 Q HA 0.604 4.944 4.340 0.001 0.000 0.267 201 Q C -1.194 174.885 176.000 0.132 0.000 1.006 201 Q CA -0.922 54.906 55.803 0.040 0.000 0.818 201 Q CB 2.563 31.301 28.738 0.001 0.000 1.276 201 Q HN 0.677 nan 8.270 nan 0.000 0.450 202 V N 3.172 123.145 119.914 0.099 0.000 2.356 202 V HA 0.364 4.485 4.120 0.001 0.000 0.258 202 V C 0.865 176.953 176.094 -0.010 0.000 1.065 202 V CA -0.210 62.133 62.300 0.071 0.000 0.935 202 V CB 0.278 32.145 31.823 0.074 0.000 1.061 202 V HN 0.889 nan 8.190 nan 0.000 0.484 203 G N 7.137 115.921 108.800 -0.027 0.000 2.750 203 G HA2 0.165 4.126 3.960 0.001 0.000 0.250 203 G HA3 0.165 4.126 3.960 0.001 0.000 0.250 203 G C -2.235 172.579 174.900 -0.144 0.000 1.230 203 G CA -0.825 44.228 45.100 -0.078 0.000 0.883 203 G HN 0.581 nan 8.290 nan 0.000 0.573 204 P HA 0.091 nan 4.420 nan 0.000 0.256 204 P C -0.531 176.490 177.300 -0.466 0.000 1.189 204 P CA 0.472 63.340 63.100 -0.386 0.000 0.808 204 P CB 0.595 31.925 31.700 -0.617 0.000 0.793 205 S N 2.106 117.646 115.700 -0.267 0.000 2.513 205 S HA 0.424 4.895 4.470 0.001 0.000 0.299 205 S C -0.315 174.242 174.600 -0.073 0.000 1.087 205 S CA -0.787 57.300 58.200 -0.188 0.000 1.012 205 S CB 1.805 64.960 63.200 -0.075 0.000 1.044 205 S HN 0.383 nan 8.310 nan 0.000 0.485 206 V N 2.931 122.808 119.914 -0.062 0.000 2.383 206 V HA 0.801 4.921 4.120 0.001 0.000 0.275 206 V C 0.793 176.863 176.094 -0.040 0.000 1.036 206 V CA 0.836 63.177 62.300 0.069 0.000 0.889 206 V CB -0.086 31.816 31.823 0.131 0.000 0.985 206 V HN 1.255 nan 8.190 nan 0.000 0.459 207 G N 5.596 114.317 108.800 -0.131 0.000 2.634 207 G HA2 -0.380 3.581 3.960 0.001 0.000 0.309 207 G HA3 -0.380 3.581 3.960 0.001 0.000 0.309 207 G C 0.616 174.982 174.900 -0.890 0.000 1.265 207 G CA 0.931 45.446 45.100 -0.974 0.000 0.998 207 G HN 1.400 nan 8.290 nan 0.000 0.551 208 I N 2.073 122.275 120.570 -0.614 0.000 2.248 208 I HA -0.156 4.015 4.170 0.001 0.000 0.248 208 I C 3.133 179.261 176.117 0.018 0.000 1.107 208 I CA 2.876 64.110 61.300 -0.110 0.000 1.373 208 I CB -0.528 37.541 38.000 0.116 0.000 1.055 208 I HN 0.900 nan 8.210 nan 0.000 0.418 209 S N -1.511 114.181 115.700 -0.013 0.000 2.469 209 S HA -0.187 4.283 4.470 0.001 0.000 0.238 209 S C 2.161 176.791 174.600 0.049 0.000 0.998 209 S CA 1.333 59.570 58.200 0.062 0.000 0.957 209 S CB -0.918 62.306 63.200 0.040 0.000 0.764 209 S HN 0.532 nan 8.310 nan 0.000 0.514 210 S N 1.909 117.592 115.700 -0.029 0.000 2.343 210 S HA 0.017 4.487 4.470 0.001 0.000 0.219 210 S C 2.150 176.700 174.600 -0.084 0.000 1.033 210 S CA 1.503 59.669 58.200 -0.058 0.000 1.014 210 S CB -1.401 61.736 63.200 -0.105 0.000 0.915 210 S HN 0.734 nan 8.310 nan 0.000 0.435 211 G N 1.007 109.756 108.800 -0.086 0.000 2.469 211 G HA2 -0.257 3.703 3.960 0.001 0.000 0.219 211 G HA3 -0.257 3.703 3.960 0.001 0.000 0.219 211 G C 1.167 175.979 174.900 -0.146 0.000 1.150 211 G CA 1.369 46.318 45.100 -0.253 0.000 0.763 211 G HN 0.525 nan 8.290 nan 0.000 0.561 212 D N 0.089 120.609 120.400 0.199 0.000 2.084 212 D HA -0.072 4.569 4.640 0.001 0.000 0.194 212 D C 2.656 179.075 176.300 0.198 0.000 0.990 212 D CA 1.023 55.215 54.000 0.320 0.000 0.826 212 D CB -0.318 40.702 40.800 0.366 0.000 0.971 212 D HN 0.383 nan 8.370 nan 0.000 0.453 213 Q N -0.099 119.772 119.800 0.119 0.000 2.050 213 Q HA -0.095 4.246 4.340 0.001 0.000 0.202 213 Q C 2.312 178.266 176.000 -0.076 0.000 0.980 213 Q CA 0.859 56.656 55.803 -0.011 0.000 0.840 213 Q CB 0.015 28.765 28.738 0.021 0.000 0.898 213 Q HN 0.115 nan 8.270 nan 0.000 0.424 214 V N -0.606 119.247 119.914 -0.101 0.000 2.392 214 V HA -0.272 3.848 4.120 0.001 0.000 0.249 214 V C 1.538 177.491 176.094 -0.235 0.000 1.059 214 V CA 1.783 63.977 62.300 -0.177 0.000 1.051 214 V CB -0.577 31.043 31.823 -0.338 0.000 0.658 214 V HN 0.489 nan 8.190 nan 0.000 0.455 215 W N -0.536 120.664 121.300 -0.167 0.000 2.379 215 W HA -0.103 4.557 4.660 0.001 0.000 0.307 215 W C 2.415 178.898 176.519 -0.060 0.000 1.200 215 W CA 1.195 58.458 57.345 -0.136 0.000 1.297 215 W CB -0.552 28.826 29.460 -0.136 0.000 1.140 215 W HN -0.023 nan 8.180 nan 0.000 0.507 216 V N 0.605 120.598 119.914 0.132 0.000 2.490 216 V HA -0.298 3.823 4.120 0.001 0.000 0.250 216 V C 2.263 178.356 176.094 -0.002 0.000 1.061 216 V CA 1.795 64.094 62.300 -0.003 0.000 1.064 216 V CB -1.546 30.066 31.823 -0.351 0.000 0.670 216 V HN 0.244 nan 8.190 nan 0.000 0.461 217 A N 0.308 123.096 122.820 -0.053 0.000 1.877 217 A HA -0.232 4.088 4.320 0.001 0.000 0.216 217 A C 2.389 180.035 177.584 0.103 0.000 1.186 217 A CA 1.870 53.879 52.037 -0.047 0.000 0.620 217 A CB -0.496 18.483 19.000 -0.036 0.000 0.822 217 A HN 0.500 nan 8.150 nan 0.000 0.443 218 R N -2.265 118.305 120.500 0.116 0.000 2.120 218 R HA -0.151 4.190 4.340 0.001 0.000 0.234 218 R C 2.128 178.516 176.300 0.148 0.000 1.123 218 R CA 1.614 57.775 56.100 0.102 0.000 0.975 218 R CB -0.496 29.752 30.300 -0.088 0.000 0.866 218 R HN 0.732 nan 8.270 nan 0.000 0.446 219 Y N 1.388 121.736 120.300 0.080 0.000 2.163 219 Y HA -0.159 4.391 4.550 0.001 0.000 0.288 219 Y C 1.956 177.912 175.900 0.094 0.000 1.136 219 Y CA 1.470 59.614 58.100 0.073 0.000 1.147 219 Y CB -0.128 38.372 38.460 0.067 0.000 0.987 219 Y HN -0.094 nan 8.280 nan 0.000 0.509 220 I N -0.443 120.254 120.570 0.213 0.000 2.286 220 I HA -0.272 3.898 4.170 0.001 0.000 0.248 220 I C 2.301 178.529 176.117 0.186 0.000 1.115 220 I CA 1.129 62.580 61.300 0.252 0.000 1.392 220 I CB -0.474 37.626 38.000 0.168 0.000 1.065 220 I HN 0.323 nan 8.210 nan 0.000 0.418 221 L N 1.159 122.426 121.223 0.074 0.000 1.989 221 L HA -0.260 4.081 4.340 0.001 0.000 0.211 221 L C 2.497 179.264 176.870 -0.173 0.000 1.071 221 L CA 2.070 56.777 54.840 -0.222 0.000 0.749 221 L CB -0.559 41.175 42.059 -0.540 0.000 0.890 221 L HN 0.195 nan 8.230 nan 0.000 0.431 222 E N -1.183 118.928 120.200 -0.149 0.000 2.110 222 E HA -0.214 4.136 4.350 0.001 0.000 0.193 222 E C 2.251 178.711 176.600 -0.233 0.000 0.988 222 E CA 0.689 56.987 56.400 -0.170 0.000 0.804 222 E CB 0.001 29.629 29.700 -0.119 0.000 0.745 222 E HN 0.312 nan 8.360 nan 0.000 0.458 223 R N 0.203 120.500 120.500 -0.338 0.000 2.096 223 R HA -0.108 4.232 4.340 0.001 0.000 0.235 223 R C 2.325 178.461 176.300 -0.272 0.000 1.127 223 R CA 0.962 56.786 56.100 -0.460 0.000 0.968 223 R CB -0.432 29.379 30.300 -0.814 0.000 0.861 223 R HN 0.378 nan 8.270 nan 0.000 0.440 224 I N 0.451 120.979 120.570 -0.071 0.000 2.233 224 I HA -0.253 3.918 4.170 0.001 0.000 0.243 224 I C 2.590 178.671 176.117 -0.060 0.000 1.093 224 I CA 1.762 63.072 61.300 0.016 0.000 1.380 224 I CB -0.637 37.412 38.000 0.082 0.000 1.067 224 I HN 0.259 nan 8.210 nan 0.000 0.413 225 T N -1.522 112.974 114.554 -0.098 0.000 2.720 225 T HA -0.287 4.063 4.350 0.001 0.000 0.268 225 T C 1.739 176.380 174.700 -0.099 0.000 1.037 225 T CA 1.648 63.690 62.100 -0.097 0.000 1.144 225 T CB -0.579 68.221 68.868 -0.114 0.000 0.864 225 T HN 0.406 nan 8.240 nan 0.000 0.444 226 E N 0.816 120.939 120.200 -0.128 0.000 2.108 226 E HA -0.196 4.155 4.350 0.001 0.000 0.203 226 E C 2.184 178.722 176.600 -0.102 0.000 1.022 226 E CA 1.966 58.288 56.400 -0.129 0.000 0.823 226 E CB -0.367 29.226 29.700 -0.179 0.000 0.744 226 E HN 0.699 nan 8.360 nan 0.000 0.456 227 I N 0.343 120.854 120.570 -0.098 0.000 2.286 227 I HA -0.232 3.939 4.170 0.001 0.000 0.248 227 I C 2.430 178.519 176.117 -0.047 0.000 1.115 227 I CA 1.031 62.292 61.300 -0.065 0.000 1.392 227 I CB -0.351 37.627 38.000 -0.038 0.000 1.065 227 I HN 0.141 nan 8.210 nan 0.000 0.418 228 A N 0.416 123.208 122.820 -0.047 0.000 2.208 228 A HA 0.249 4.570 4.320 0.001 0.000 0.209 228 A C 1.766 179.327 177.584 -0.039 0.000 1.161 228 A CA 0.782 52.797 52.037 -0.037 0.000 0.782 228 A CB -0.619 18.359 19.000 -0.036 0.000 0.816 228 A HN 0.570 nan 8.150 nan 0.000 0.477 229 G N -1.075 107.695 108.800 -0.050 0.000 2.272 229 G HA2 -0.104 3.856 3.960 0.001 0.000 0.280 229 G HA3 -0.104 3.856 3.960 0.001 0.000 0.280 229 G C -0.124 174.746 174.900 -0.050 0.000 1.067 229 G CA 0.367 45.438 45.100 -0.049 0.000 0.902 229 G HN 0.903 nan 8.290 nan 0.000 0.500 230 V N -0.771 119.107 119.914 -0.060 0.000 2.962 230 V HA 0.722 4.842 4.120 0.001 0.000 0.313 230 V C 0.334 176.379 176.094 -0.081 0.000 1.099 230 V CA -0.854 61.408 62.300 -0.064 0.000 0.971 230 V CB 2.402 34.193 31.823 -0.053 0.000 1.028 230 V HN 0.353 nan 8.190 nan 0.000 0.430 231 V N 3.584 123.443 119.914 -0.090 0.000 2.547 231 V HA 0.560 4.681 4.120 0.001 0.000 0.299 231 V C -0.272 175.741 176.094 -0.134 0.000 1.040 231 V CA -0.645 61.591 62.300 -0.107 0.000 0.913 231 V CB 1.849 33.612 31.823 -0.099 0.000 0.992 231 V HN 0.674 nan 8.190 nan 0.000 0.449 232 V N 1.681 121.491 119.914 -0.172 0.000 2.532 232 V HA 0.817 4.938 4.120 0.001 0.000 0.295 232 V C 0.135 176.037 176.094 -0.320 0.000 1.041 232 V CA -0.417 61.722 62.300 -0.269 0.000 0.926 232 V CB 1.299 32.871 31.823 -0.418 0.000 0.992 232 V HN 0.977 nan 8.190 nan 0.000 0.457 233 T N -0.092 114.244 114.554 -0.363 0.000 2.876 233 T HA 0.672 5.022 4.350 0.001 0.000 0.289 233 T C -0.356 174.080 174.700 -0.439 0.000 1.014 233 T CA -0.314 61.595 62.100 -0.318 0.000 0.986 233 T CB 1.622 70.391 68.868 -0.165 0.000 1.021 233 T HN 0.364 nan 8.240 nan 0.000 0.458 234 F N 0.171 120.112 119.950 -0.015 0.000 2.641 234 F HA 0.241 4.769 4.527 0.001 0.000 0.302 234 F C 1.317 177.099 175.800 -0.030 0.000 1.098 234 F CA -0.820 57.167 58.000 -0.022 0.000 1.318 234 F CB 0.366 39.338 39.000 -0.046 0.000 1.035 234 F HN 0.603 nan 8.300 nan 0.000 0.551 235 D N 3.513 123.950 120.400 0.062 0.000 2.450 235 D HA -0.015 4.625 4.640 0.001 0.000 0.247 235 D C -1.449 174.861 176.300 0.017 0.000 1.162 235 D CA -1.198 52.822 54.000 0.034 0.000 0.879 235 D CB 1.496 42.294 40.800 -0.003 0.000 1.163 235 D HN 0.052 nan 8.370 nan 0.000 0.472 236 P HA -0.109 nan 4.420 nan 0.000 0.222 236 P C 0.078 177.388 177.300 0.016 0.000 1.147 236 P CA 1.074 64.190 63.100 0.028 0.000 0.790 236 P CB 0.328 32.054 31.700 0.044 0.000 0.780 237 K N -0.484 119.921 120.400 0.009 0.000 2.790 237 K HA 0.299 4.620 4.320 0.001 0.000 0.253 237 K C -2.493 174.098 176.600 -0.015 0.000 1.082 237 K CA -1.339 54.951 56.287 0.005 0.000 1.067 237 K CB 1.137 33.659 32.500 0.037 0.000 1.284 237 K HN -0.237 nan 8.250 nan 0.000 0.529 238 P HA 0.099 nan 4.420 nan 0.000 0.222 238 P C -0.188 177.035 177.300 -0.129 0.000 1.157 238 P CA 0.266 63.297 63.100 -0.116 0.000 0.816 238 P CB 0.403 31.980 31.700 -0.205 0.000 0.813 239 I N 0.963 121.455 120.570 -0.129 0.000 2.406 239 I HA 0.368 4.538 4.170 0.001 0.000 0.290 239 I C -2.533 173.665 176.117 0.134 0.000 0.999 239 I CA -3.666 57.599 61.300 -0.059 0.000 1.124 239 I CB 1.101 38.951 38.000 -0.250 0.000 1.289 239 I HN -0.212 nan 8.210 nan 0.000 0.441 240 P HA 0.517 nan 4.420 nan 0.000 0.274 240 P C 0.362 177.835 177.300 0.288 0.000 1.237 240 P CA 0.322 63.545 63.100 0.204 0.000 0.793 240 P CB 0.933 32.743 31.700 0.183 0.000 0.977 241 G N 1.324 110.241 108.800 0.195 0.000 2.445 241 G HA2 -0.171 3.790 3.960 0.001 0.000 0.212 241 G HA3 -0.171 3.790 3.960 0.001 0.000 0.212 241 G C -0.787 174.136 174.900 0.039 0.000 1.217 241 G CA -0.207 44.971 45.100 0.130 0.000 1.002 241 G HN 0.546 nan 8.290 nan 0.000 0.574 242 D N 1.153 121.421 120.400 -0.220 0.000 2.845 242 D HA 0.491 5.132 4.640 0.001 0.000 0.235 242 D C -0.765 175.084 176.300 -0.752 0.000 1.158 242 D CA 0.016 53.819 54.000 -0.329 0.000 0.990 242 D CB -0.528 40.037 40.800 -0.390 0.000 1.094 242 D HN 0.429 nan 8.370 nan 0.000 0.486 243 W N 0.629 121.801 121.300 -0.213 0.000 3.129 243 W HA 0.333 4.993 4.660 0.001 0.000 0.333 243 W C 0.054 176.307 176.519 -0.443 0.000 1.141 243 W CA -1.258 55.964 57.345 -0.205 0.000 1.224 243 W CB 0.707 30.172 29.460 0.009 0.000 1.393 243 W HN -0.206 nan 8.180 nan 0.000 0.499 244 N N 0.913 119.578 118.700 -0.060 0.000 2.395 244 N HA 0.306 5.047 4.740 0.001 0.000 0.246 244 N C 0.490 175.972 175.510 -0.047 0.000 1.246 244 N CA 0.663 53.649 53.050 -0.107 0.000 0.879 244 N CB 0.598 39.100 38.487 0.025 0.000 1.098 244 N HN 0.623 nan 8.380 nan 0.000 0.444 245 G N -0.701 108.083 108.800 -0.026 0.000 2.543 245 G HA2 0.640 4.600 3.960 0.001 0.000 0.290 245 G HA3 0.640 4.600 3.960 0.001 0.000 0.290 245 G C -1.162 173.734 174.900 -0.007 0.000 1.310 245 G CA -0.396 44.703 45.100 -0.003 0.000 1.025 245 G HN 0.644 nan 8.290 nan 0.000 0.502 246 A N -0.964 121.849 122.820 -0.013 0.000 2.343 246 A HA 0.819 5.139 4.320 0.001 0.000 0.308 246 A C 0.196 177.760 177.584 -0.034 0.000 1.092 246 A CA 0.068 52.082 52.037 -0.038 0.000 0.751 246 A CB 1.424 20.398 19.000 -0.043 0.000 1.203 246 A HN 1.395 nan 8.150 nan 0.000 0.452 247 G N -0.058 108.684 108.800 -0.097 0.000 2.568 247 G HA2 0.645 4.605 3.960 0.001 0.000 0.313 247 G HA3 0.645 4.605 3.960 0.001 0.000 0.313 247 G C -0.142 174.608 174.900 -0.251 0.000 1.227 247 G CA -0.034 44.995 45.100 -0.119 0.000 0.979 247 G HN 1.588 nan 8.290 nan 0.000 0.486 248 A N 0.489 123.196 122.820 -0.190 0.000 3.232 248 A HA 0.484 4.804 4.320 0.001 0.000 0.312 248 A C 0.185 177.693 177.584 -0.127 0.000 1.185 248 A CA -0.575 51.325 52.037 -0.229 0.000 1.011 248 A CB -0.951 17.903 19.000 -0.243 0.000 1.096 248 A HN 0.761 nan 8.150 nan 0.000 0.543 249 H N 0.708 119.728 119.070 -0.083 0.000 3.140 249 H HA 0.068 4.624 4.556 0.001 0.000 0.316 249 H C 0.069 175.361 175.328 -0.060 0.000 0.986 249 H CA 0.646 56.669 56.048 -0.041 0.000 1.397 249 H CB 0.467 30.232 29.762 0.006 0.000 1.377 249 H HN 0.352 nan 8.280 nan 0.000 0.585 250 T N 5.014 119.620 114.554 0.086 0.000 2.758 250 T HA 0.152 4.502 4.350 0.001 0.000 0.285 250 T C 0.237 174.985 174.700 0.080 0.000 0.981 250 T CA -0.973 61.160 62.100 0.056 0.000 0.965 250 T CB 0.422 69.304 68.868 0.023 0.000 0.927 250 T HN 0.559 nan 8.240 nan 0.000 0.448 251 N N 2.563 121.293 118.700 0.050 0.000 2.487 251 N HA 0.426 5.167 4.740 0.001 0.000 0.292 251 N C -1.234 174.266 175.510 -0.016 0.000 1.108 251 N CA -0.430 52.608 53.050 -0.021 0.000 0.956 251 N CB 2.035 40.414 38.487 -0.180 0.000 1.176 251 N HN 0.664 nan 8.380 nan 0.000 0.484 252 Y N 0.197 120.299 120.300 -0.330 0.000 2.513 252 Y HA 0.349 4.899 4.550 0.001 0.000 0.340 252 Y C -1.158 174.559 175.900 -0.306 0.000 1.055 252 Y CA -0.583 57.259 58.100 -0.429 0.000 1.020 252 Y CB 1.507 39.625 38.460 -0.570 0.000 1.301 252 Y HN 0.633 nan 8.280 nan 0.000 0.453 253 S N 2.700 117.911 115.700 -0.815 0.000 2.537 253 S HA 0.728 5.198 4.470 0.001 0.000 0.271 253 S C -1.240 172.921 174.600 -0.730 0.000 1.148 253 S CA -0.347 57.473 58.200 -0.633 0.000 0.868 253 S CB 1.546 64.629 63.200 -0.195 0.000 1.115 253 S HN 0.944 nan 8.310 nan 0.000 0.461 254 T N -0.449 113.791 114.554 -0.523 0.000 2.932 254 T HA 0.586 4.936 4.350 0.001 0.000 0.289 254 T C 0.885 175.394 174.700 -0.318 0.000 1.039 254 T CA -0.481 61.401 62.100 -0.364 0.000 1.024 254 T CB 1.542 70.298 68.868 -0.187 0.000 1.090 254 T HN 0.664 nan 8.240 nan 0.000 0.496 255 E N 1.698 121.726 120.200 -0.287 0.000 2.132 255 E HA -0.262 4.089 4.350 0.001 0.000 0.218 255 E C 2.147 178.641 176.600 -0.177 0.000 1.058 255 E CA 2.729 58.980 56.400 -0.249 0.000 0.882 255 E CB -0.802 28.809 29.700 -0.148 0.000 0.774 255 E HN 0.803 nan 8.360 nan 0.000 0.467 256 S N -0.981 114.650 115.700 -0.115 0.000 2.474 256 S HA -0.081 4.390 4.470 0.001 0.000 0.235 256 S C 2.036 176.596 174.600 -0.065 0.000 0.997 256 S CA 1.192 59.349 58.200 -0.071 0.000 0.949 256 S CB -0.199 62.979 63.200 -0.036 0.000 0.766 256 S HN 0.244 nan 8.310 nan 0.000 0.517 257 M N 1.332 120.876 119.600 -0.093 0.000 2.388 257 M HA 0.089 4.569 4.480 0.001 0.000 0.265 257 M C 2.105 178.367 176.300 -0.063 0.000 1.088 257 M CA 0.810 56.077 55.300 -0.056 0.000 1.134 257 M CB -0.048 32.517 32.600 -0.058 0.000 1.384 257 M HN 0.423 nan 8.290 nan 0.000 0.447 258 R N -0.398 120.025 120.500 -0.130 0.000 2.334 258 R HA 0.235 4.575 4.340 0.001 0.000 0.216 258 R C 0.746 176.993 176.300 -0.088 0.000 0.905 258 R CA -0.010 56.019 56.100 -0.119 0.000 1.064 258 R CB 0.153 30.326 30.300 -0.212 0.000 1.046 258 R HN 0.117 nan 8.270 nan 0.000 0.508 259 K N 1.500 121.852 120.400 -0.080 0.000 2.179 259 K HA 0.086 4.406 4.320 0.001 0.000 0.238 259 K C -0.373 176.213 176.600 -0.024 0.000 1.033 259 K CA -0.639 55.618 56.287 -0.051 0.000 0.926 259 K CB 0.758 33.226 32.500 -0.053 0.000 1.151 259 K HN -0.214 nan 8.250 nan 0.000 0.492 260 E N -0.089 120.103 120.200 -0.014 0.000 2.465 260 E HA 0.067 4.417 4.350 0.001 0.000 0.260 260 E C -0.059 176.547 176.600 0.010 0.000 0.980 260 E CA 1.593 57.993 56.400 -0.000 0.000 0.927 260 E CB 0.296 29.997 29.700 0.001 0.000 0.934 260 E HN 0.677 nan 8.360 nan 0.000 0.459 261 G N 3.131 111.947 108.800 0.027 0.000 2.323 261 G HA2 -0.256 3.704 3.960 0.001 0.000 0.292 261 G HA3 -0.256 3.704 3.960 0.001 0.000 0.292 261 G C 0.824 175.752 174.900 0.046 0.000 1.040 261 G CA 0.468 45.595 45.100 0.045 0.000 0.942 261 G HN 0.745 nan 8.290 nan 0.000 0.506 262 G N -0.966 107.865 108.800 0.052 0.000 2.623 262 G HA2 0.025 3.985 3.960 0.001 0.000 0.214 262 G HA3 0.025 3.985 3.960 0.001 0.000 0.214 262 G C 1.255 176.224 174.900 0.114 0.000 1.138 262 G CA 1.175 46.306 45.100 0.051 0.000 0.794 262 G HN 0.574 nan 8.290 nan 0.000 0.535 263 Y N 1.641 121.929 120.300 -0.019 0.000 2.421 263 Y HA -0.004 4.546 4.550 0.001 0.000 0.292 263 Y C 2.368 178.249 175.900 -0.030 0.000 1.136 263 Y CA 0.758 58.846 58.100 -0.021 0.000 1.255 263 Y CB 0.175 38.630 38.460 -0.007 0.000 0.991 263 Y HN 0.180 nan 8.280 nan 0.000 0.552 264 E N -0.711 119.474 120.200 -0.026 0.000 2.158 264 E HA -0.080 4.270 4.350 0.001 0.000 0.191 264 E C 2.398 178.941 176.600 -0.094 0.000 0.982 264 E CA 1.206 57.539 56.400 -0.112 0.000 0.823 264 E CB -0.396 29.270 29.700 -0.057 0.000 0.766 264 E HN 0.387 nan 8.360 nan 0.000 0.468 265 V N 1.289 121.182 119.914 -0.034 0.000 2.515 265 V HA -0.173 3.948 4.120 0.001 0.000 0.250 265 V C 2.390 178.469 176.094 -0.024 0.000 1.058 265 V CA 1.056 63.346 62.300 -0.017 0.000 1.064 265 V CB -0.490 31.339 31.823 0.010 0.000 0.675 265 V HN 0.148 nan 8.190 nan 0.000 0.461 266 I N -0.002 120.555 120.570 -0.022 0.000 2.163 266 I HA -0.228 3.942 4.170 0.001 0.000 0.240 266 I C 2.653 178.585 176.117 -0.309 0.000 1.081 266 I CA 1.700 62.963 61.300 -0.061 0.000 1.353 266 I CB -0.377 37.683 38.000 0.101 0.000 1.054 266 I HN 0.237 nan 8.210 nan 0.000 0.407 267 K N 0.885 121.065 120.400 -0.367 0.000 2.063 267 K HA -0.181 4.139 4.320 0.001 0.000 0.208 267 K C 2.231 178.647 176.600 -0.307 0.000 1.048 267 K CA 1.567 57.575 56.287 -0.464 0.000 0.928 267 K CB -0.307 31.959 32.500 -0.390 0.000 0.713 267 K HN 0.326 nan 8.250 nan 0.000 0.442 268 A N 1.513 124.218 122.820 -0.191 0.000 1.908 268 A HA -0.160 4.161 4.320 0.001 0.000 0.218 268 A C 2.364 179.892 177.584 -0.092 0.000 1.181 268 A CA 1.980 53.952 52.037 -0.109 0.000 0.627 268 A CB -0.669 18.294 19.000 -0.061 0.000 0.818 268 A HN 0.356 nan 8.150 nan 0.000 0.445 269 A N -0.082 122.675 122.820 -0.105 0.000 1.872 269 A HA -0.018 4.302 4.320 0.001 0.000 0.214 269 A C 2.100 179.583 177.584 -0.167 0.000 1.187 269 A CA 1.352 53.362 52.037 -0.044 0.000 0.614 269 A CB -0.633 18.415 19.000 0.080 0.000 0.826 269 A HN 0.471 nan 8.150 nan 0.000 0.442 270 I N -0.447 119.870 120.570 -0.422 0.000 2.194 270 I HA -0.298 3.872 4.170 0.001 0.000 0.246 270 I C 2.565 178.544 176.117 -0.229 0.000 1.093 270 I CA 1.846 62.889 61.300 -0.428 0.000 1.355 270 I CB -0.323 37.205 38.000 -0.787 0.000 1.046 270 I HN 0.322 nan 8.210 nan 0.000 0.413 271 E N 1.448 121.530 120.200 -0.197 0.000 2.058 271 E HA -0.217 4.133 4.350 0.001 0.000 0.194 271 E C 2.069 178.617 176.600 -0.087 0.000 0.997 271 E CA 1.571 57.905 56.400 -0.109 0.000 0.801 271 E CB -0.062 29.599 29.700 -0.065 0.000 0.746 271 E HN 0.345 nan 8.360 nan 0.000 0.450 272 K N -0.202 120.189 120.400 -0.015 0.000 2.097 272 K HA -0.090 4.230 4.320 0.001 0.000 0.206 272 K C 2.292 178.858 176.600 -0.057 0.000 1.049 272 K CA 1.144 57.504 56.287 0.122 0.000 0.933 272 K CB -0.227 32.418 32.500 0.241 0.000 0.717 272 K HN 0.185 nan 8.250 nan 0.000 0.442 273 L N 1.251 122.395 121.223 -0.132 0.000 2.141 273 L HA -0.173 4.168 4.340 0.001 0.000 0.209 273 L C 2.622 179.201 176.870 -0.484 0.000 1.094 273 L CA 1.128 55.840 54.840 -0.213 0.000 0.763 273 L CB -0.303 41.778 42.059 0.037 0.000 0.908 273 L HN 0.194 nan 8.230 nan 0.000 0.437 274 K N 0.694 120.608 120.400 -0.809 0.000 2.063 274 K HA -0.184 4.137 4.320 0.001 0.000 0.208 274 K C 2.070 178.353 176.600 -0.527 0.000 1.048 274 K CA 1.293 56.833 56.287 -1.245 0.000 0.928 274 K CB -0.057 31.872 32.500 -0.952 0.000 0.713 274 K HN 0.263 nan 8.250 nan 0.000 0.442 275 L N 0.157 121.200 121.223 -0.301 0.000 2.141 275 L HA -0.106 4.234 4.340 0.001 0.000 0.209 275 L C 1.815 178.556 176.870 -0.215 0.000 1.094 275 L CA 1.044 55.797 54.840 -0.145 0.000 0.763 275 L CB -0.191 41.909 42.059 0.068 0.000 0.908 275 L HN 0.102 nan 8.230 nan 0.000 0.437 276 R N -1.500 118.776 120.500 -0.374 0.000 2.507 276 R HA 0.062 4.403 4.340 0.001 0.000 0.298 276 R C 1.570 177.633 176.300 -0.396 0.000 0.999 276 R CA -0.158 55.660 56.100 -0.469 0.000 1.082 276 R CB -0.085 29.745 30.300 -0.782 0.000 1.246 276 R HN 0.329 nan 8.270 nan 0.000 0.553 277 H N 2.086 120.961 119.070 -0.325 0.000 2.289 277 H HA -0.184 4.372 4.556 0.001 0.000 0.296 277 H C 1.558 176.825 175.328 -0.101 0.000 1.091 277 H CA 1.954 57.917 56.048 -0.142 0.000 1.274 277 H CB 0.483 30.245 29.762 -0.000 0.000 1.364 277 H HN -0.054 nan 8.280 nan 0.000 0.490 278 K N 0.622 121.047 120.400 0.042 0.000 2.052 278 K HA -0.184 4.137 4.320 0.001 0.000 0.215 278 K C 2.237 178.781 176.600 -0.094 0.000 1.053 278 K CA 2.386 58.675 56.287 0.003 0.000 0.934 278 K CB -0.166 32.343 32.500 0.015 0.000 0.717 278 K HN 0.619 nan 8.250 nan 0.000 0.450 279 E N -1.538 118.587 120.200 -0.124 0.000 2.385 279 E HA -0.125 4.225 4.350 0.001 0.000 0.194 279 E C 1.727 178.284 176.600 -0.071 0.000 1.013 279 E CA 0.884 57.226 56.400 -0.096 0.000 0.866 279 E CB -0.280 29.359 29.700 -0.102 0.000 0.832 279 E HN 0.584 nan 8.360 nan 0.000 0.500 280 H N 0.670 119.526 119.070 -0.356 0.000 2.343 280 H HA 0.073 4.630 4.556 0.001 0.000 0.303 280 H C 2.147 177.015 175.328 -0.767 0.000 1.068 280 H CA 0.544 56.228 56.048 -0.607 0.000 1.359 280 H CB 0.375 29.698 29.762 -0.730 0.000 1.402 280 H HN 0.042 nan 8.280 nan 0.000 0.515 281 I N 1.233 121.521 120.570 -0.469 0.000 2.236 281 I HA -0.264 3.906 4.170 0.001 0.000 0.249 281 I C 2.649 178.700 176.117 -0.111 0.000 1.102 281 I CA 1.099 62.223 61.300 -0.293 0.000 1.365 281 I CB -1.091 36.751 38.000 -0.262 0.000 1.051 281 I HN 0.241 nan 8.210 nan 0.000 0.420 282 A N 0.171 122.933 122.820 -0.097 0.000 2.070 282 A HA 0.052 4.372 4.320 0.001 0.000 0.220 282 A C 2.243 179.831 177.584 0.006 0.000 1.159 282 A CA 1.705 53.725 52.037 -0.029 0.000 0.656 282 A CB -0.356 18.627 19.000 -0.027 0.000 0.800 282 A HN 0.452 nan 8.150 nan 0.000 0.453 283 A N -2.804 120.020 122.820 0.006 0.000 2.419 283 A HA 0.351 4.672 4.320 0.001 0.000 0.233 283 A C 1.089 178.802 177.584 0.216 0.000 1.217 283 A CA -0.283 51.803 52.037 0.082 0.000 0.944 283 A CB -0.215 18.819 19.000 0.056 0.000 1.025 283 A HN 0.527 nan 8.150 nan 0.000 0.524 284 Y N 1.223 121.504 120.300 -0.032 0.000 2.473 284 Y HA 0.297 4.848 4.550 0.001 0.000 0.329 284 Y C 1.279 177.172 175.900 -0.012 0.000 1.207 284 Y CA 0.173 58.255 58.100 -0.030 0.000 1.266 284 Y CB -0.204 38.243 38.460 -0.021 0.000 1.091 284 Y HN 0.482 nan 8.280 nan 0.000 0.501 285 G N 1.811 110.688 108.800 0.128 0.000 2.907 285 G HA2 -0.178 3.782 3.960 0.001 0.000 0.686 285 G HA3 -0.178 3.782 3.960 0.001 0.000 0.686 285 G C -0.798 174.146 174.900 0.074 0.000 1.115 285 G CA -0.877 44.267 45.100 0.073 0.000 0.760 285 G HN 0.377 nan 8.290 nan 0.000 0.620 286 E N 1.012 121.249 120.200 0.063 0.000 2.349 286 E HA 0.606 4.956 4.350 0.001 0.000 0.265 286 E C 1.196 177.830 176.600 0.056 0.000 1.064 286 E CA -0.260 56.175 56.400 0.058 0.000 0.886 286 E CB 1.563 31.294 29.700 0.053 0.000 1.036 286 E HN 2.389 nan 8.360 nan 0.000 0.413 287 G N 2.627 111.459 108.800 0.055 0.000 2.195 287 G HA2 -0.383 3.578 3.960 0.001 0.000 0.246 287 G HA3 -0.383 3.578 3.960 0.001 0.000 0.246 287 G C 0.766 175.701 174.900 0.060 0.000 0.984 287 G CA 0.376 45.508 45.100 0.053 0.000 0.633 287 G HN 0.741 nan 8.290 nan 0.000 0.525 288 N N 0.486 119.227 118.700 0.068 0.000 2.348 288 N HA -0.076 4.665 4.740 0.001 0.000 0.185 288 N C 1.938 177.496 175.510 0.081 0.000 1.019 288 N CA 1.468 54.565 53.050 0.079 0.000 0.880 288 N CB -0.055 38.490 38.487 0.095 0.000 0.965 288 N HN 0.664 nan 8.380 nan 0.000 0.437 289 E N 0.376 120.619 120.200 0.072 0.000 2.209 289 E HA -0.160 4.190 4.350 0.001 0.000 0.196 289 E C 1.514 178.158 176.600 0.073 0.000 0.993 289 E CA 0.900 57.344 56.400 0.072 0.000 0.819 289 E CB -0.026 29.711 29.700 0.062 0.000 0.745 289 E HN 0.365 nan 8.360 nan 0.000 0.477 290 R N 0.149 120.691 120.500 0.070 0.000 2.240 290 R HA 0.130 4.471 4.340 0.001 0.000 0.203 290 R C 2.233 178.582 176.300 0.082 0.000 1.011 290 R CA 0.733 56.876 56.100 0.072 0.000 1.007 290 R CB -0.006 30.332 30.300 0.064 0.000 0.911 290 R HN 0.100 nan 8.270 nan 0.000 0.468 291 R N 0.974 121.524 120.500 0.083 0.000 2.062 291 R HA 0.106 4.447 4.340 0.001 0.000 0.218 291 R C 0.358 176.725 176.300 0.111 0.000 1.161 291 R CA 0.332 56.488 56.100 0.093 0.000 0.994 291 R CB 0.079 30.429 30.300 0.084 0.000 0.888 291 R HN 0.014 nan 8.270 nan 0.000 0.442 292 L N 3.028 124.316 121.223 0.108 0.000 2.536 292 L HA 0.117 4.458 4.340 0.001 0.000 0.282 292 L C 0.500 177.429 176.870 0.098 0.000 1.174 292 L CA -0.033 54.874 54.840 0.112 0.000 0.989 292 L CB 1.016 43.149 42.059 0.123 0.000 1.311 292 L HN 0.468 nan 8.230 nan 0.000 0.455 293 T N -3.242 111.368 114.554 0.094 0.000 3.043 293 T HA 0.285 4.635 4.350 0.001 0.000 0.272 293 T C 1.321 176.047 174.700 0.043 0.000 0.990 293 T CA 0.337 62.481 62.100 0.073 0.000 0.897 293 T CB 0.988 69.909 68.868 0.087 0.000 1.111 293 T HN 0.667 nan 8.240 nan 0.000 0.529 294 G N 1.664 110.488 108.800 0.041 0.000 2.268 294 G HA2 -0.245 3.716 3.960 0.001 0.000 0.240 294 G HA3 -0.245 3.716 3.960 0.001 0.000 0.240 294 G C 0.234 175.120 174.900 -0.024 0.000 1.010 294 G CA -0.042 45.063 45.100 0.009 0.000 0.618 294 G HN 0.709 nan 8.290 nan 0.000 0.516 295 R N -0.463 120.008 120.500 -0.048 0.000 2.596 295 R HA 0.606 4.947 4.340 0.001 0.000 0.267 295 R C 0.806 177.051 176.300 -0.091 0.000 1.026 295 R CA -0.393 55.602 56.100 -0.175 0.000 1.087 295 R CB 0.293 30.378 30.300 -0.358 0.000 1.132 295 R HN 0.409 nan 8.270 nan 0.000 0.531 296 H N 1.093 120.165 119.070 0.002 0.000 2.886 296 H HA -0.142 4.414 4.556 0.001 0.000 0.294 296 H C -0.738 174.606 175.328 0.027 0.000 1.246 296 H CA 0.956 57.013 56.048 0.015 0.000 1.142 296 H CB -1.628 28.155 29.762 0.035 0.000 1.358 296 H HN 0.881 nan 8.280 nan 0.000 0.406 297 E N -1.150 119.098 120.200 0.081 0.000 2.416 297 E HA -0.182 4.168 4.350 0.001 0.000 0.249 297 E C 0.163 176.811 176.600 0.080 0.000 1.124 297 E CA 1.041 57.478 56.400 0.060 0.000 0.732 297 E CB -1.139 28.598 29.700 0.062 0.000 1.286 297 E HN 0.769 nan 8.360 nan 0.000 0.394 298 T N -3.350 111.249 114.554 0.075 0.000 2.901 298 T HA 0.798 5.149 4.350 0.001 0.000 0.293 298 T C -0.230 174.498 174.700 0.046 0.000 1.084 298 T CA -0.492 61.655 62.100 0.078 0.000 1.008 298 T CB 2.299 71.235 68.868 0.113 0.000 1.170 298 T HN 0.370 nan 8.240 nan 0.000 0.509 299 A N 1.083 123.932 122.820 0.049 0.000 2.312 299 A HA 0.636 4.957 4.320 0.001 0.000 0.326 299 A C -0.070 177.553 177.584 0.064 0.000 1.172 299 A CA -0.670 51.386 52.037 0.032 0.000 0.821 299 A CB 0.462 19.465 19.000 0.006 0.000 1.166 299 A HN 1.003 nan 8.150 nan 0.000 0.493 300 D N 1.288 121.718 120.400 0.049 0.000 2.525 300 D HA 0.046 4.687 4.640 0.001 0.000 0.235 300 D C 1.240 177.608 176.300 0.112 0.000 1.137 300 D CA 0.332 54.372 54.000 0.066 0.000 0.868 300 D CB 0.255 41.079 40.800 0.040 0.000 1.180 300 D HN 0.378 nan 8.370 nan 0.000 0.465 301 I N 2.056 122.705 120.570 0.132 0.000 2.264 301 I HA -0.257 3.914 4.170 0.001 0.000 0.248 301 I C 1.735 178.012 176.117 0.267 0.000 1.111 301 I CA 0.919 62.333 61.300 0.191 0.000 1.382 301 I CB -0.476 37.607 38.000 0.138 0.000 1.060 301 I HN 0.373 nan 8.210 nan 0.000 0.418 302 N N 0.500 119.293 118.700 0.155 0.000 2.376 302 N HA -0.012 4.729 4.740 0.001 0.000 0.177 302 N C 1.008 176.537 175.510 0.032 0.000 1.024 302 N CA 1.227 54.348 53.050 0.119 0.000 0.893 302 N CB -0.143 38.388 38.487 0.073 0.000 0.980 302 N HN 0.529 nan 8.380 nan 0.000 0.439 303 T N -1.732 112.821 114.554 -0.002 0.000 2.928 303 T HA 0.462 4.812 4.350 0.001 0.000 0.284 303 T C -0.448 174.151 174.700 -0.170 0.000 1.008 303 T CA -0.785 61.276 62.100 -0.065 0.000 1.057 303 T CB 1.557 70.411 68.868 -0.022 0.000 1.018 303 T HN 0.010 nan 8.240 nan 0.000 0.493 304 F N 2.150 121.898 119.950 -0.337 0.000 2.469 304 F HA 0.629 5.156 4.527 0.001 0.000 0.332 304 F C -0.088 175.689 175.800 -0.039 0.000 1.103 304 F CA -0.185 57.663 58.000 -0.253 0.000 0.979 304 F CB 1.554 40.375 39.000 -0.298 0.000 1.137 304 F HN 1.012 nan 8.300 nan 0.000 0.463 305 S N 5.326 120.726 115.700 -0.501 0.000 2.638 305 S HA 0.720 5.190 4.470 0.001 0.000 0.274 305 S C -1.662 172.795 174.600 -0.239 0.000 1.157 305 S CA -0.840 57.222 58.200 -0.230 0.000 0.826 305 S CB 2.171 65.287 63.200 -0.140 0.000 1.139 305 S HN 1.008 nan 8.310 nan 0.000 0.474 306 W N 0.063 121.262 121.300 -0.169 0.000 3.479 306 W HA 0.727 5.388 4.660 0.001 0.000 0.304 306 W C -0.862 175.641 176.519 -0.026 0.000 1.243 306 W CA -0.801 56.484 57.345 -0.101 0.000 1.202 306 W CB 0.911 30.350 29.460 -0.035 0.000 1.346 306 W HN 1.152 nan 8.180 nan 0.000 0.539 307 G N 0.425 109.297 108.800 0.120 0.000 2.975 307 G HA2 0.539 4.499 3.960 0.001 0.000 0.291 307 G HA3 0.539 4.499 3.960 0.001 0.000 0.291 307 G C -0.994 174.021 174.900 0.192 0.000 1.334 307 G CA -0.319 44.759 45.100 -0.037 0.000 0.843 307 G HN 0.381 nan 8.290 nan 0.000 0.548 308 V N 0.374 120.351 119.914 0.105 0.000 2.423 308 V HA 0.285 4.406 4.120 0.001 0.000 0.233 308 V C 2.572 178.720 176.094 0.091 0.000 1.067 308 V CA 1.749 64.135 62.300 0.144 0.000 1.073 308 V CB -0.102 31.791 31.823 0.117 0.000 0.715 308 V HN 0.848 nan 8.190 nan 0.000 0.485 309 A N 0.547 123.396 122.820 0.047 0.000 2.462 309 A HA 0.233 4.554 4.320 0.001 0.000 0.261 309 A C 0.578 178.177 177.584 0.025 0.000 1.323 309 A CA -0.004 52.054 52.037 0.036 0.000 0.913 309 A CB -0.843 18.169 19.000 0.020 0.000 1.028 309 A HN 0.474 nan 8.150 nan 0.000 0.511 310 N N 0.505 119.223 118.700 0.029 0.000 2.437 310 N HA 0.213 4.954 4.740 0.001 0.000 0.243 310 N C 0.745 176.259 175.510 0.005 0.000 1.041 310 N CA -0.181 52.872 53.050 0.005 0.000 0.940 310 N CB 0.425 38.904 38.487 -0.013 0.000 1.133 310 N HN 0.284 nan 8.380 nan 0.000 0.506 311 R N 1.802 122.298 120.500 -0.006 0.000 2.299 311 R HA 0.106 4.447 4.340 0.001 0.000 0.197 311 R C 1.446 177.737 176.300 -0.014 0.000 0.971 311 R CA 0.569 56.661 56.100 -0.012 0.000 1.030 311 R CB 0.285 30.580 30.300 -0.009 0.000 0.932 311 R HN 0.578 nan 8.270 nan 0.000 0.477 312 G N 0.231 109.019 108.800 -0.020 0.000 2.920 312 G HA2 0.083 4.043 3.960 0.001 0.000 0.208 312 G HA3 0.083 4.043 3.960 0.001 0.000 0.208 312 G C 0.371 175.254 174.900 -0.028 0.000 1.159 312 G CA 0.224 45.310 45.100 -0.023 0.000 0.784 312 G HN 0.291 nan 8.290 nan 0.000 0.535 313 A N -0.350 122.452 122.820 -0.030 0.000 2.252 313 A HA 0.667 4.988 4.320 0.001 0.000 0.305 313 A C 1.514 179.065 177.584 -0.055 0.000 1.097 313 A CA 0.145 52.154 52.037 -0.047 0.000 0.849 313 A CB 0.931 19.919 19.000 -0.021 0.000 1.142 313 A HN 0.082 nan 8.150 nan 0.000 0.499 314 S N -1.303 114.315 115.700 -0.137 0.000 2.425 314 S HA 0.128 4.599 4.470 0.001 0.000 0.225 314 S C 0.452 175.015 174.600 -0.062 0.000 1.024 314 S CA 0.778 58.890 58.200 -0.147 0.000 0.951 314 S CB -0.027 62.932 63.200 -0.401 0.000 0.796 314 S HN 0.496 nan 8.310 nan 0.000 0.498 315 V N 1.179 121.066 119.914 -0.044 0.000 2.876 315 V HA 0.545 4.666 4.120 0.001 0.000 0.312 315 V C -0.402 175.809 176.094 0.196 0.000 1.085 315 V CA -1.007 61.379 62.300 0.143 0.000 0.945 315 V CB 2.128 34.067 31.823 0.194 0.000 1.017 315 V HN 0.221 nan 8.190 nan 0.000 0.428 316 R N 2.478 123.113 120.500 0.225 0.000 2.621 316 R HA 0.821 5.161 4.340 0.001 0.000 0.292 316 R C -2.199 174.258 176.300 0.262 0.000 0.969 316 R CA -0.451 55.779 56.100 0.217 0.000 0.887 316 R CB 2.264 32.638 30.300 0.123 0.000 1.180 316 R HN 0.486 nan 8.270 nan 0.000 0.450 317 V N 3.639 123.705 119.914 0.252 0.000 2.350 317 V HA 0.416 4.536 4.120 0.001 0.000 0.285 317 V C 0.762 176.906 176.094 0.083 0.000 1.014 317 V CA -0.651 61.765 62.300 0.193 0.000 0.831 317 V CB 1.335 33.309 31.823 0.252 0.000 1.000 317 V HN 0.984 nan 8.190 nan 0.000 0.433 318 G N 3.788 112.582 108.800 -0.010 0.000 2.464 318 G HA2 0.051 4.011 3.960 0.001 0.000 0.231 318 G HA3 0.051 4.011 3.960 0.001 0.000 0.231 318 G C 0.985 175.846 174.900 -0.065 0.000 1.267 318 G CA -0.250 44.826 45.100 -0.041 0.000 0.863 318 G HN 0.629 nan 8.290 nan 0.000 0.559 319 R N 0.579 121.061 120.500 -0.030 0.000 2.119 319 R HA -0.131 4.209 4.340 0.001 0.000 0.246 319 R C 2.256 178.510 176.300 -0.078 0.000 1.146 319 R CA 1.679 57.756 56.100 -0.038 0.000 0.962 319 R CB -0.542 29.750 30.300 -0.012 0.000 0.863 319 R HN 0.870 nan 8.270 nan 0.000 0.442 320 E N -0.206 119.947 120.200 -0.078 0.000 2.051 320 E HA -0.149 4.202 4.350 0.001 0.000 0.192 320 E C 1.621 178.134 176.600 -0.145 0.000 0.991 320 E CA 1.829 58.178 56.400 -0.086 0.000 0.799 320 E CB 0.039 29.708 29.700 -0.052 0.000 0.748 320 E HN 0.406 nan 8.360 nan 0.000 0.449 321 T N -1.384 113.037 114.554 -0.222 0.000 3.085 321 T HA -0.048 4.303 4.350 0.001 0.000 0.263 321 T C 1.626 176.097 174.700 -0.382 0.000 1.127 321 T CA 0.934 62.870 62.100 -0.274 0.000 1.103 321 T CB 0.168 68.824 68.868 -0.354 0.000 0.921 321 T HN 0.180 nan 8.240 nan 0.000 0.510 322 E N 0.709 120.670 120.200 -0.398 0.000 2.033 322 E HA -0.168 4.183 4.350 0.001 0.000 0.189 322 E C 2.277 178.660 176.600 -0.362 0.000 0.979 322 E CA 0.730 56.770 56.400 -0.599 0.000 0.802 322 E CB -0.290 29.219 29.700 -0.318 0.000 0.763 322 E HN 0.660 nan 8.360 nan 0.000 0.449 323 Q N 0.173 119.859 119.800 -0.191 0.000 2.291 323 Q HA -0.104 4.236 4.340 0.001 0.000 0.206 323 Q C 1.094 177.039 176.000 -0.091 0.000 0.976 323 Q CA 1.137 56.879 55.803 -0.103 0.000 0.875 323 Q CB -0.021 28.678 28.738 -0.066 0.000 0.927 323 Q HN 0.354 nan 8.270 nan 0.000 0.450 324 N N -1.400 117.227 118.700 -0.121 0.000 2.280 324 N HA 0.067 4.808 4.740 0.001 0.000 0.192 324 N C 0.631 176.098 175.510 -0.071 0.000 1.109 324 N CA 0.289 53.291 53.050 -0.079 0.000 0.855 324 N CB 0.616 39.061 38.487 -0.070 0.000 0.974 324 N HN 0.336 nan 8.380 nan 0.000 0.482 325 G N 2.115 110.848 108.800 -0.112 0.000 2.186 325 G HA2 -0.339 3.621 3.960 0.001 0.000 0.266 325 G HA3 -0.339 3.621 3.960 0.001 0.000 0.266 325 G C -0.132 174.772 174.900 0.006 0.000 0.982 325 G CA 1.191 46.274 45.100 -0.027 0.000 0.670 325 G HN 0.521 nan 8.290 nan 0.000 0.533 326 K N -2.053 118.312 120.400 -0.057 0.000 2.542 326 K HA 0.768 5.089 4.320 0.001 0.000 0.259 326 K C 0.165 176.725 176.600 -0.067 0.000 0.932 326 K CA -0.576 55.694 56.287 -0.028 0.000 0.820 326 K CB 1.852 34.342 32.500 -0.018 0.000 1.345 326 K HN 1.272 nan 8.250 nan 0.000 0.432 327 G N 1.084 109.859 108.800 -0.042 0.000 2.552 327 G HA2 0.297 4.257 3.960 0.001 0.000 0.137 327 G HA3 0.297 4.257 3.960 0.001 0.000 0.137 327 G C -2.010 172.906 174.900 0.027 0.000 1.135 327 G CA -0.130 44.927 45.100 -0.072 0.000 1.047 327 G HN 0.788 nan 8.290 nan 0.000 0.501 328 Y N -0.586 119.746 120.300 0.052 0.000 2.638 328 Y HA 0.867 5.418 4.550 0.001 0.000 0.339 328 Y C -0.684 175.312 175.900 0.161 0.000 1.084 328 Y CA -2.266 55.858 58.100 0.038 0.000 1.068 328 Y CB 1.147 39.600 38.460 -0.012 0.000 1.294 328 Y HN 0.969 nan 8.280 nan 0.000 0.480 329 F N -0.987 119.159 119.950 0.325 0.000 2.631 329 F HA 0.754 5.281 4.527 0.001 0.000 0.328 329 F C -0.851 175.159 175.800 0.351 0.000 1.067 329 F CA -1.339 56.823 58.000 0.270 0.000 0.969 329 F CB 2.163 41.263 39.000 0.167 0.000 1.332 329 F HN 0.674 nan 8.300 nan 0.000 0.490 330 E N 1.624 122.079 120.200 0.426 0.000 2.182 330 E HA 0.134 4.485 4.350 0.001 0.000 0.258 330 E C -1.748 175.025 176.600 0.289 0.000 0.879 330 E CA -0.691 55.865 56.400 0.262 0.000 0.754 330 E CB 0.998 30.826 29.700 0.213 0.000 1.162 330 E HN 0.708 nan 8.360 nan 0.000 0.419 331 D N 4.205 124.762 120.400 0.261 0.000 2.336 331 D HA 0.080 4.720 4.640 0.001 0.000 0.249 331 D C 0.408 176.806 176.300 0.163 0.000 1.213 331 D CA -0.072 54.102 54.000 0.292 0.000 0.870 331 D CB 0.612 41.622 40.800 0.350 0.000 1.076 331 D HN 0.468 nan 8.370 nan 0.000 0.483 332 R N 3.003 123.558 120.500 0.092 0.000 2.334 332 R HA 0.163 4.504 4.340 0.001 0.000 0.220 332 R C 1.524 177.916 176.300 0.152 0.000 0.917 332 R CA -0.018 56.063 56.100 -0.032 0.000 1.073 332 R CB 0.575 30.747 30.300 -0.214 0.000 1.056 332 R HN 0.303 nan 8.270 nan 0.000 0.506 333 R N 0.828 121.460 120.500 0.219 0.000 2.093 333 R HA 0.037 4.378 4.340 0.001 0.000 0.224 333 R C -1.643 174.804 176.300 0.245 0.000 1.101 333 R CA 0.217 56.493 56.100 0.293 0.000 0.979 333 R CB -1.045 29.522 30.300 0.446 0.000 0.877 333 R HN 0.124 nan 8.270 nan 0.000 0.441 334 P HA 0.045 nan 4.420 nan 0.000 0.271 334 P C -0.862 176.403 177.300 -0.059 0.000 1.216 334 P CA 0.213 63.171 63.100 -0.236 0.000 0.771 334 P CB 1.153 32.493 31.700 -0.599 0.000 0.864 335 A N 2.802 125.609 122.820 -0.021 0.000 2.313 335 A HA 0.296 4.617 4.320 0.001 0.000 0.261 335 A C 1.595 179.143 177.584 -0.060 0.000 1.090 335 A CA 0.195 52.229 52.037 -0.005 0.000 0.807 335 A CB -0.231 18.790 19.000 0.034 0.000 1.055 335 A HN 0.576 nan 8.150 nan 0.000 0.492 336 S N 0.677 116.357 115.700 -0.034 0.000 2.419 336 S HA -0.194 4.276 4.470 0.001 0.000 0.235 336 S C 0.943 175.510 174.600 -0.055 0.000 1.019 336 S CA 1.413 59.594 58.200 -0.031 0.000 0.982 336 S CB -0.557 62.684 63.200 0.067 0.000 0.789 336 S HN 0.898 nan 8.310 nan 0.000 0.490 337 N N 1.335 120.019 118.700 -0.026 0.000 2.276 337 N HA 0.121 4.861 4.740 0.001 0.000 0.212 337 N C 0.431 175.883 175.510 -0.098 0.000 1.127 337 N CA -0.280 52.739 53.050 -0.052 0.000 0.834 337 N CB -0.459 38.060 38.487 0.052 0.000 1.014 337 N HN 0.489 nan 8.380 nan 0.000 0.491 338 M N 0.988 120.500 119.600 -0.147 0.000 2.250 338 M HA 0.010 4.491 4.480 0.001 0.000 0.337 338 M C -0.716 175.452 176.300 -0.220 0.000 1.161 338 M CA 0.517 55.719 55.300 -0.163 0.000 1.088 338 M CB 0.446 32.903 32.600 -0.238 0.000 1.639 338 M HN 0.008 nan 8.290 nan 0.000 0.447 339 D N 7.156 127.506 120.400 -0.082 0.000 2.316 339 D HA 0.285 4.926 4.640 0.001 0.000 0.245 339 D C -1.849 174.388 176.300 -0.105 0.000 1.171 339 D CA -1.876 52.124 54.000 0.001 0.000 0.856 339 D CB 1.287 42.238 40.800 0.250 0.000 1.090 339 D HN 0.397 nan 8.370 nan 0.000 0.476 340 P HA -0.165 nan 4.420 nan 0.000 0.220 340 P C 1.049 178.281 177.300 -0.113 0.000 1.148 340 P CA 0.858 63.760 63.100 -0.331 0.000 0.803 340 P CB 0.170 31.546 31.700 -0.539 0.000 0.782 341 Y N 0.125 120.491 120.300 0.110 0.000 2.145 341 Y HA -0.147 4.403 4.550 0.001 0.000 0.286 341 Y C 2.690 178.637 175.900 0.079 0.000 1.145 341 Y CA 0.615 58.799 58.100 0.141 0.000 1.148 341 Y CB -1.716 36.873 38.460 0.215 0.000 0.981 341 Y HN -0.233 nan 8.280 nan 0.000 0.507 342 V N -1.146 118.906 119.914 0.230 0.000 2.270 342 V HA -0.238 3.883 4.120 0.001 0.000 0.245 342 V C 2.314 178.431 176.094 0.039 0.000 1.043 342 V CA 1.644 64.014 62.300 0.117 0.000 1.014 342 V CB -0.877 31.012 31.823 0.111 0.000 0.645 342 V HN 0.207 nan 8.190 nan 0.000 0.447 343 V N -0.767 119.138 119.914 -0.016 0.000 2.358 343 V HA -0.269 3.851 4.120 0.001 0.000 0.246 343 V C 2.622 178.658 176.094 -0.097 0.000 1.047 343 V CA 2.598 64.846 62.300 -0.087 0.000 1.035 343 V CB -0.721 30.943 31.823 -0.265 0.000 0.658 343 V HN 0.619 nan 8.190 nan 0.000 0.452 344 T N -0.074 114.396 114.554 -0.139 0.000 2.746 344 T HA -0.165 4.185 4.350 0.001 0.000 0.267 344 T C 2.130 176.841 174.700 0.018 0.000 1.039 344 T CA 2.105 64.019 62.100 -0.309 0.000 1.142 344 T CB -0.192 68.367 68.868 -0.515 0.000 0.866 344 T HN 0.751 nan 8.240 nan 0.000 0.444 345 S N 0.351 116.091 115.700 0.066 0.000 2.377 345 S HA 0.055 4.526 4.470 0.001 0.000 0.223 345 S C 2.187 176.728 174.600 -0.099 0.000 1.030 345 S CA 0.787 58.891 58.200 -0.161 0.000 0.970 345 S CB -0.564 62.483 63.200 -0.254 0.000 0.830 345 S HN 0.487 nan 8.310 nan 0.000 0.473 346 M N 0.763 120.334 119.600 -0.048 0.000 2.358 346 M HA 0.084 4.565 4.480 0.001 0.000 0.264 346 M C 1.703 178.019 176.300 0.026 0.000 1.064 346 M CA 1.286 56.564 55.300 -0.037 0.000 1.093 346 M CB -0.313 32.223 32.600 -0.107 0.000 1.401 346 M HN 0.375 nan 8.290 nan 0.000 0.440 347 I N -0.451 120.133 120.570 0.023 0.000 2.406 347 I HA -0.165 4.006 4.170 0.001 0.000 0.249 347 I C 2.440 178.559 176.117 0.004 0.000 1.122 347 I CA 0.954 62.281 61.300 0.045 0.000 1.431 347 I CB -0.378 37.578 38.000 -0.074 0.000 1.087 347 I HN 0.285 nan 8.210 nan 0.000 0.424 348 A N -0.196 122.670 122.820 0.076 0.000 2.014 348 A HA -0.181 4.140 4.320 0.001 0.000 0.218 348 A C 2.295 179.960 177.584 0.135 0.000 1.163 348 A CA 1.305 53.457 52.037 0.191 0.000 0.652 348 A CB -0.371 18.802 19.000 0.287 0.000 0.808 348 A HN 0.388 nan 8.150 nan 0.000 0.449 349 E N -0.721 119.521 120.200 0.070 0.000 2.033 349 E HA -0.097 4.253 4.350 0.001 0.000 0.189 349 E C 1.666 178.349 176.600 0.139 0.000 0.979 349 E CA 1.394 57.839 56.400 0.076 0.000 0.802 349 E CB -0.064 29.650 29.700 0.023 0.000 0.763 349 E HN 0.480 nan 8.360 nan 0.000 0.449 350 T N 0.043 114.670 114.554 0.122 0.000 3.051 350 T HA -0.061 4.290 4.350 0.001 0.000 0.269 350 T C 1.501 176.330 174.700 0.215 0.000 1.127 350 T CA 1.248 63.393 62.100 0.075 0.000 1.107 350 T CB -0.041 68.791 68.868 -0.059 0.000 0.898 350 T HN 0.093 nan 8.240 nan 0.000 0.517 351 T N 0.212 114.905 114.554 0.232 0.000 3.018 351 T HA 0.369 4.720 4.350 0.001 0.000 0.246 351 T C 1.600 176.451 174.700 0.251 0.000 1.026 351 T CA 0.078 62.342 62.100 0.273 0.000 1.081 351 T CB 0.244 69.328 68.868 0.361 0.000 0.970 351 T HN 0.258 nan 8.240 nan 0.000 0.475 352 I N -0.194 120.512 120.570 0.228 0.000 3.196 352 I HA 0.071 4.242 4.170 0.001 0.000 0.248 352 I C 2.197 178.405 176.117 0.152 0.000 1.105 352 I CA 0.292 61.699 61.300 0.179 0.000 1.482 352 I CB -0.130 37.974 38.000 0.174 0.000 1.400 352 I HN -0.058 nan 8.210 nan 0.000 0.464 353 V N 0.343 120.351 119.914 0.156 0.000 2.237 353 V HA -0.236 3.884 4.120 0.001 0.000 0.245 353 V C 0.979 177.178 176.094 0.176 0.000 1.046 353 V CA 1.255 63.639 62.300 0.139 0.000 1.007 353 V CB -0.657 31.238 31.823 0.121 0.000 0.638 353 V HN 0.500 nan 8.190 nan 0.000 0.445 354 W N 1.514 122.829 121.300 0.025 0.000 2.150 354 W HA 0.419 5.080 4.660 0.001 0.000 0.341 354 W C 0.353 176.875 176.519 0.006 0.000 1.276 354 W CA 0.159 57.511 57.345 0.012 0.000 1.238 354 W CB 0.390 29.855 29.460 0.009 0.000 1.128 354 W HN -0.019 nan 8.180 nan 0.000 0.581 355 K N 0.000 119.901 120.400 -0.831 0.000 2.780 355 K HA 0.000 4.321 4.320 0.001 0.000 0.191 355 K CA 0.000 55.768 56.287 -0.865 0.000 0.838 355 K CB 0.000 32.258 32.500 -0.403 0.000 1.064 355 K HN 0.000 nan 8.250 nan 0.000 0.543