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 2axr_1_A DATA FIRST_RESID -4 DATA SEQUENCE EAEFXNSINA cLAAADVEFH EEDSEGWDMD GTAFNLRVDY DPAAIAIPRS DATA SEQUENCE TEDIAAAVQc GLDAGVQISA KGGGHSYGSY GFGGEDGHLM LELDRMYRVS DATA SEQUENCE VDDNNVATIQ GGARLGYTAL ELLDQGNRAL SHGTCPAVGV GGHVLGGGYG DATA SEQUENCE FATHTHGLTL DWLIGATVVL ADASIVHVSE TENADLFWAL RGGGGGFAIV DATA SEQUENCE SEFEFNTFEA PEIITTYQVT TTWNRKQHVA GLKALQDWAQ NTMPRELSMR DATA SEQUENCE LEINANALNW EGNFFGNAKD LKKILQPIMK KAGGKSTISK LVETDWYGQI DATA SEQUENCE NTYLYGADLN ITYNYDVHEY FYANSLTAPR LSDEAIQAFV DYKFDNSSVR DATA SEQUENCE PGRGWWIQWD FHGGKNSALA AVSNDETAYA HRDQLWLWQF YDSIYDYENN DATA SEQUENCE TSPYPESGFE FMQGFVATIE DTLPEDRKGK YFNYADTTLT KEEAQKLYWR DATA SEQUENCE GNLEKLQAIK AKYDPEDVFG NVVSVEPIAY 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 -4 E HA 0.000 nan 4.350 nan 0.000 0.291 -4 E C 0.000 176.795 176.600 0.325 0.000 1.382 -4 E CA 0.000 56.538 56.400 0.230 0.000 0.976 -4 E CB 0.000 29.776 29.700 0.126 0.000 0.812 -3 A N 1.104 124.026 122.820 0.169 0.000 3.012 -3 A HA 0.285 4.746 4.320 0.235 0.000 0.295 -3 A C -0.036 177.554 177.584 0.009 0.000 1.338 -3 A CA -0.290 51.772 52.037 0.042 0.000 0.981 -3 A CB -0.842 18.087 19.000 -0.118 0.000 1.091 -3 A HN 0.471 nan 8.150 nan 0.000 0.602 -2 E N 0.265 120.500 120.200 0.058 0.000 2.465 -2 E HA 0.289 4.780 4.350 0.235 0.000 0.260 -2 E C -0.626 176.037 176.600 0.105 0.000 0.980 -2 E CA -0.447 55.934 56.400 -0.031 0.000 0.927 -2 E CB -0.081 29.693 29.700 0.123 0.000 0.934 -2 E HN 0.354 nan 8.360 nan 0.000 0.459 2 S N 2.517 118.200 115.700 -0.028 0.000 2.447 2 S HA -0.014 4.597 4.470 0.235 0.000 0.233 2 S C 1.869 176.430 174.600 -0.065 0.000 1.006 2 S CA 0.536 58.708 58.200 -0.047 0.000 0.957 2 S CB -0.123 63.062 63.200 -0.023 0.000 0.773 2 S HN 0.596 nan 8.310 nan 0.000 0.507 3 I N 2.027 122.562 120.570 -0.058 0.000 2.286 3 I HA -0.101 4.209 4.170 0.235 0.000 0.245 3 I C 2.145 178.159 176.117 -0.172 0.000 1.104 3 I CA 0.859 62.119 61.300 -0.066 0.000 1.397 3 I CB -0.493 37.501 38.000 -0.009 0.000 1.072 3 I HN 0.254 nan 8.210 nan 0.000 0.417 4 N N 1.379 119.903 118.700 -0.292 0.000 2.223 4 N HA -0.122 4.759 4.740 0.235 0.000 0.185 4 N C 1.873 177.012 175.510 -0.619 0.000 1.016 4 N CA 1.489 54.087 53.050 -0.754 0.000 0.863 4 N CB -0.365 37.556 38.487 -0.943 0.000 0.983 4 N HN 0.339 nan 8.380 nan 0.000 0.429 5 A N 0.267 122.907 122.820 -0.300 0.000 1.877 5 A HA -0.162 4.298 4.320 0.235 0.000 0.216 5 A C 2.662 180.181 177.584 -0.108 0.000 1.186 5 A CA 1.472 53.413 52.037 -0.159 0.000 0.620 5 A CB -1.254 17.688 19.000 -0.098 0.000 0.822 5 A HN 0.481 nan 8.150 nan 0.000 0.443 6 c N -0.468 118.072 118.600 -0.100 0.000 2.432 6 c HA -0.038 4.672 4.570 0.235 0.000 0.277 6 c C 2.645 176.713 174.090 -0.037 0.000 1.249 6 c CA 1.180 57.477 56.329 -0.052 0.000 1.725 6 c CB -1.608 40.879 42.510 -0.040 0.000 2.028 6 c HN 0.584 nan 8.230 nan 0.000 0.477 7 L N 1.216 122.397 121.223 -0.070 0.000 2.046 7 L HA -0.104 4.377 4.340 0.235 0.000 0.208 7 L C 3.039 179.955 176.870 0.076 0.000 1.077 7 L CA 1.723 56.565 54.840 0.003 0.000 0.747 7 L CB -0.825 41.236 42.059 0.003 0.000 0.896 7 L HN 0.451 nan 8.230 nan 0.000 0.432 8 A N 0.109 122.968 122.820 0.065 0.000 1.908 8 A HA -0.226 4.235 4.320 0.235 0.000 0.218 8 A C 2.529 180.170 177.584 0.095 0.000 1.181 8 A CA 1.888 54.033 52.037 0.181 0.000 0.627 8 A CB -0.804 18.314 19.000 0.196 0.000 0.818 8 A HN 0.417 nan 8.150 nan 0.000 0.445 9 A N -0.542 122.305 122.820 0.045 0.000 1.978 9 A HA 0.198 4.659 4.320 0.235 0.000 0.220 9 A C 2.165 179.769 177.584 0.034 0.000 1.170 9 A CA 1.871 53.927 52.037 0.031 0.000 0.636 9 A CB -0.671 18.336 19.000 0.012 0.000 0.810 9 A HN 1.173 nan 8.150 nan 0.000 0.448 10 A N -1.533 121.311 122.820 0.039 0.000 2.337 10 A HA 0.377 4.837 4.320 0.235 0.000 0.227 10 A C 0.639 178.251 177.584 0.046 0.000 1.259 10 A CA 0.888 52.948 52.037 0.037 0.000 0.870 10 A CB -0.409 18.611 19.000 0.033 0.000 0.927 10 A HN 0.526 nan 8.150 nan 0.000 0.497 11 D N -1.504 118.933 120.400 0.061 0.000 2.772 11 D HA -0.132 4.649 4.640 0.235 0.000 0.233 11 D C -0.659 175.679 176.300 0.064 0.000 1.143 11 D CA 0.938 54.974 54.000 0.061 0.000 0.700 11 D CB -1.507 39.315 40.800 0.037 0.000 1.076 11 D HN 0.195 nan 8.370 nan 0.000 0.430 12 V N 1.042 121.014 119.914 0.096 0.000 2.370 12 V HA 0.280 4.540 4.120 0.235 0.000 0.283 12 V C 0.765 176.954 176.094 0.159 0.000 1.023 12 V CA -0.744 61.613 62.300 0.095 0.000 0.857 12 V CB 1.648 33.523 31.823 0.087 0.000 0.985 12 V HN 0.222 nan 8.190 nan 0.000 0.443 13 E N 4.157 124.397 120.200 0.066 0.000 2.415 13 E HA 0.330 4.821 4.350 0.235 0.000 0.262 13 E C -0.951 175.693 176.600 0.074 0.000 1.038 13 E CA -0.074 56.321 56.400 -0.008 0.000 0.921 13 E CB 0.615 30.255 29.700 -0.099 0.000 0.950 13 E HN 0.566 nan 8.360 nan 0.000 0.438 14 F N 0.018 119.935 119.950 -0.055 0.000 2.715 14 F HA 0.469 5.136 4.527 0.235 0.000 0.318 14 F C -1.388 174.419 175.800 0.012 0.000 1.141 14 F CA -1.083 56.893 58.000 -0.041 0.000 0.950 14 F CB 1.097 40.133 39.000 0.060 0.000 1.374 14 F HN 0.362 nan 8.300 nan 0.000 0.477 15 H N 0.258 119.575 119.070 0.412 0.000 2.505 15 H HA 0.312 5.009 4.556 0.235 0.000 0.338 15 H C -0.969 174.716 175.328 0.596 0.000 1.057 15 H CA -0.840 55.429 56.048 0.368 0.000 1.202 15 H CB 1.875 31.862 29.762 0.376 0.000 1.466 15 H HN 0.707 nan 8.280 nan 0.000 0.499 16 E N 2.202 122.720 120.200 0.530 0.000 2.366 16 E HA -0.059 4.432 4.350 0.235 0.000 0.266 16 E C 0.789 177.473 176.600 0.140 0.000 1.051 16 E CA -0.195 56.427 56.400 0.370 0.000 0.884 16 E CB 0.932 30.789 29.700 0.261 0.000 1.006 16 E HN 0.723 nan 8.360 nan 0.000 0.417 17 E N 1.762 121.777 120.200 -0.308 0.000 2.463 17 E HA -0.196 4.294 4.350 0.235 0.000 0.201 17 E C 0.485 176.773 176.600 -0.519 0.000 1.045 17 E CA 1.369 57.143 56.400 -1.043 0.000 0.872 17 E CB 0.192 29.188 29.700 -1.173 0.000 0.797 17 E HN 0.469 nan 8.360 nan 0.000 0.538 18 D N -0.480 119.811 120.400 -0.181 0.000 2.369 18 D HA -0.037 4.743 4.640 0.235 0.000 0.211 18 D C 0.319 176.621 176.300 0.005 0.000 1.077 18 D CA -0.048 53.902 54.000 -0.083 0.000 0.842 18 D CB -0.075 40.697 40.800 -0.047 0.000 0.947 18 D HN 0.060 nan 8.370 nan 0.000 0.509 19 S N -0.562 115.175 115.700 0.062 0.000 2.693 19 S HA 0.279 4.890 4.470 0.235 0.000 0.276 19 S C 0.917 175.567 174.600 0.084 0.000 1.192 19 S CA -0.728 57.521 58.200 0.082 0.000 0.994 19 S CB 1.969 65.232 63.200 0.106 0.000 1.012 19 S HN 0.020 nan 8.310 nan 0.000 0.550 20 E N 0.859 121.085 120.200 0.042 0.000 2.208 20 E HA -0.001 4.490 4.350 0.235 0.000 0.193 20 E C 2.028 178.610 176.600 -0.029 0.000 0.988 20 E CA 0.743 57.165 56.400 0.036 0.000 0.828 20 E CB -0.548 29.173 29.700 0.036 0.000 0.763 20 E HN 0.891 nan 8.360 nan 0.000 0.478 21 G N 1.320 110.007 108.800 -0.189 0.000 2.422 21 G HA2 -0.251 3.850 3.960 0.235 0.000 0.218 21 G HA3 -0.251 3.850 3.960 0.235 0.000 0.218 21 G C 1.218 175.779 174.900 -0.565 0.000 1.146 21 G CA 0.277 44.975 45.100 -0.670 0.000 0.769 21 G HN 0.334 nan 8.290 nan 0.000 0.547 22 W N 1.869 122.943 121.300 -0.377 0.000 2.363 22 W HA -0.068 4.733 4.660 0.235 0.000 0.296 22 W C 1.533 178.063 176.519 0.018 0.000 1.212 22 W CA 1.578 58.887 57.345 -0.059 0.000 1.260 22 W CB -0.129 29.361 29.460 0.049 0.000 1.131 22 W HN 0.225 nan 8.180 nan 0.000 0.530 23 D N 0.176 120.725 120.400 0.249 0.000 2.097 23 D HA -0.222 4.559 4.640 0.235 0.000 0.195 23 D C 2.296 178.673 176.300 0.128 0.000 0.989 23 D CA 1.956 56.073 54.000 0.196 0.000 0.827 23 D CB -0.638 40.248 40.800 0.142 0.000 0.966 23 D HN 0.246 nan 8.370 nan 0.000 0.456 24 M N 0.587 120.241 119.600 0.089 0.000 2.074 24 M HA -0.127 4.494 4.480 0.235 0.000 0.259 24 M C 1.657 178.044 176.300 0.146 0.000 1.079 24 M CA 1.313 56.688 55.300 0.126 0.000 1.119 24 M CB -0.170 32.493 32.600 0.105 0.000 1.297 24 M HN -0.157 nan 8.290 nan 0.000 0.416 25 D N -0.129 120.321 120.400 0.083 0.000 2.224 25 D HA -0.038 4.743 4.640 0.235 0.000 0.205 25 D C 1.838 178.111 176.300 -0.045 0.000 0.965 25 D CA 1.207 55.250 54.000 0.071 0.000 0.852 25 D CB -0.450 40.427 40.800 0.128 0.000 0.947 25 D HN 0.481 nan 8.370 nan 0.000 0.494 26 G N -0.296 108.407 108.800 -0.161 0.000 2.985 26 G HA2 -0.007 4.094 3.960 0.235 0.000 0.209 26 G HA3 -0.007 4.094 3.960 0.235 0.000 0.209 26 G C 0.405 175.443 174.900 0.230 0.000 1.165 26 G CA 0.092 45.020 45.100 -0.287 0.000 0.776 26 G HN 0.093 nan 8.290 nan 0.000 0.541 27 T N 1.247 115.979 114.554 0.296 0.000 2.779 27 T HA 0.631 5.122 4.350 0.235 0.000 0.280 27 T C 0.394 175.316 174.700 0.370 0.000 0.987 27 T CA -0.283 61.973 62.100 0.259 0.000 0.966 27 T CB 1.770 70.728 68.868 0.150 0.000 0.933 27 T HN 0.297 nan 8.240 nan 0.000 0.442 28 A N 2.375 125.199 122.820 0.008 0.000 2.406 28 A HA 0.463 4.923 4.320 0.235 0.000 0.243 28 A C 1.044 178.741 177.584 0.189 0.000 1.082 28 A CA -0.389 51.617 52.037 -0.052 0.000 0.786 28 A CB -0.143 18.515 19.000 -0.570 0.000 1.029 28 A HN 0.891 nan 8.150 nan 0.000 0.495 29 F N 1.303 121.268 119.950 0.026 0.000 2.102 29 F HA -0.102 4.566 4.527 0.234 0.000 0.298 29 F C 1.030 176.861 175.800 0.052 0.000 1.105 29 F CA 1.772 59.751 58.000 -0.035 0.000 1.239 29 F CB -0.061 38.850 39.000 -0.149 0.000 0.991 29 F HN 0.551 nan 8.300 nan 0.000 0.474 30 N N 1.632 120.209 118.700 -0.206 0.000 2.482 30 N HA 0.087 4.968 4.740 0.235 0.000 0.242 30 N C 0.654 175.851 175.510 -0.523 0.000 1.100 30 N CA 0.092 52.834 53.050 -0.514 0.000 0.946 30 N CB 0.224 38.288 38.487 -0.704 0.000 1.227 30 N HN 0.377 nan 8.380 nan 0.000 0.508 31 L N 2.253 123.191 121.223 -0.475 0.000 2.450 31 L HA -0.069 4.412 4.340 0.235 0.000 0.224 31 L C 2.314 178.886 176.870 -0.497 0.000 1.149 31 L CA 0.672 55.285 54.840 -0.379 0.000 0.816 31 L CB -0.164 41.745 42.059 -0.249 0.000 0.932 31 L HN 0.513 nan 8.230 nan 0.000 0.449 32 R N 0.864 120.799 120.500 -0.942 0.000 2.189 32 R HA -0.057 4.424 4.340 0.235 0.000 0.218 32 R C 0.475 176.394 176.300 -0.636 0.000 1.074 32 R CA 1.007 56.450 56.100 -1.094 0.000 0.991 32 R CB 0.300 29.666 30.300 -1.556 0.000 0.883 32 R HN 0.332 nan 8.270 nan 0.000 0.457 33 V N -0.445 119.083 119.914 -0.644 0.000 2.468 33 V HA 0.302 4.563 4.120 0.235 0.000 0.256 33 V C -1.111 174.429 176.094 -0.923 0.000 0.998 33 V CA -1.155 60.740 62.300 -0.676 0.000 1.114 33 V CB 0.655 32.223 31.823 -0.425 0.000 1.378 33 V HN -0.066 nan 8.190 nan 0.000 0.573 34 D N 1.465 121.357 120.400 -0.846 0.000 2.210 34 D HA 0.535 5.316 4.640 0.235 0.000 0.249 34 D C -0.969 174.775 176.300 -0.926 0.000 1.078 34 D CA 0.129 53.676 54.000 -0.755 0.000 0.875 34 D CB 1.220 41.779 40.800 -0.401 0.000 1.175 34 D HN 0.489 nan 8.370 nan 0.000 0.440 35 Y N 0.588 120.657 120.300 -0.386 0.000 2.570 35 Y HA 0.305 4.996 4.550 0.236 0.000 0.345 35 Y C -0.285 175.691 175.900 0.127 0.000 1.014 35 Y CA -1.206 56.828 58.100 -0.109 0.000 1.063 35 Y CB 1.714 40.123 38.460 -0.085 0.000 1.272 35 Y HN 0.196 nan 8.280 nan 0.000 0.477 36 D N 3.514 124.147 120.400 0.389 0.000 2.427 36 D HA 0.313 5.093 4.640 0.235 0.000 0.226 36 D C -2.673 173.884 176.300 0.428 0.000 1.076 36 D CA -2.180 52.073 54.000 0.423 0.000 0.849 36 D CB 1.042 42.057 40.800 0.359 0.000 1.052 36 D HN 0.052 nan 8.370 nan 0.000 0.515 37 P HA 0.124 nan 4.420 nan 0.000 0.274 37 P C 0.077 177.625 177.300 0.413 0.000 1.237 37 P CA -0.352 62.926 63.100 0.297 0.000 0.793 37 P CB 1.392 33.112 31.700 0.033 0.000 0.977 38 A N 1.310 124.324 122.820 0.322 0.000 2.014 38 A HA 0.370 4.831 4.320 0.235 0.000 0.218 38 A C 1.006 178.802 177.584 0.353 0.000 1.163 38 A CA 1.615 53.830 52.037 0.297 0.000 0.652 38 A CB -0.631 18.489 19.000 0.201 0.000 0.808 38 A HN 0.841 nan 8.150 nan 0.000 0.449 39 A N -1.680 121.352 122.820 0.352 0.000 2.549 39 A HA 0.598 5.059 4.320 0.235 0.000 0.291 39 A C -1.525 176.184 177.584 0.208 0.000 1.034 39 A CA -0.513 51.755 52.037 0.385 0.000 0.655 39 A CB 0.239 19.372 19.000 0.222 0.000 1.299 39 A HN 0.334 nan 8.150 nan 0.000 0.427 40 I N 1.005 121.718 120.570 0.238 0.000 2.468 40 I HA 0.564 4.875 4.170 0.235 0.000 0.284 40 I C 0.377 176.567 176.117 0.123 0.000 1.038 40 I CA -0.471 60.873 61.300 0.074 0.000 1.083 40 I CB 1.714 39.690 38.000 -0.040 0.000 1.223 40 I HN 0.881 nan 8.210 nan 0.000 0.443 41 A N 7.078 129.940 122.820 0.069 0.000 2.295 41 A HA 0.848 5.308 4.320 0.235 0.000 0.318 41 A C -0.264 177.315 177.584 -0.008 0.000 1.134 41 A CA -0.358 51.721 52.037 0.070 0.000 0.827 41 A CB 0.624 19.666 19.000 0.069 0.000 1.136 41 A HN 0.734 nan 8.150 nan 0.000 0.493 42 I N 3.118 123.668 120.570 -0.034 0.000 2.833 42 I HA 0.229 4.540 4.170 0.235 0.000 0.286 42 I C -2.249 173.843 176.117 -0.041 0.000 1.287 42 I CA -1.650 59.604 61.300 -0.076 0.000 1.046 42 I CB 1.268 39.160 38.000 -0.179 0.000 1.612 42 I HN 0.443 nan 8.210 nan 0.000 0.585 43 P HA 0.092 nan 4.420 nan 0.000 0.269 43 P C -0.059 177.226 177.300 -0.025 0.000 1.215 43 P CA -0.089 63.004 63.100 -0.011 0.000 0.780 43 P CB 1.158 32.858 31.700 -0.001 0.000 0.898 44 R N -0.078 120.404 120.500 -0.028 0.000 2.509 44 R HA 0.242 4.723 4.340 0.235 0.000 0.297 44 R C 0.614 176.891 176.300 -0.038 0.000 0.951 44 R CA 0.041 56.114 56.100 -0.045 0.000 1.103 44 R CB -0.170 30.098 30.300 -0.052 0.000 1.283 44 R HN 0.709 nan 8.270 nan 0.000 0.534 45 S N -2.376 113.310 115.700 -0.023 0.000 2.615 45 S HA 0.291 4.902 4.470 0.235 0.000 0.269 45 S C 0.662 175.256 174.600 -0.011 0.000 1.161 45 S CA -0.525 57.664 58.200 -0.018 0.000 0.817 45 S CB 1.525 64.717 63.200 -0.013 0.000 1.131 45 S HN -0.102 nan 8.310 nan 0.000 0.467 46 T N 0.991 115.539 114.554 -0.010 0.000 2.788 46 T HA -0.088 4.403 4.350 0.235 0.000 0.268 46 T C 1.525 176.228 174.700 0.004 0.000 1.044 46 T CA 1.915 64.011 62.100 -0.007 0.000 1.139 46 T CB -0.531 68.334 68.868 -0.006 0.000 0.867 46 T HN 0.763 nan 8.240 nan 0.000 0.454 47 E N 0.728 120.931 120.200 0.006 0.000 2.106 47 E HA -0.184 4.307 4.350 0.235 0.000 0.192 47 E C 1.634 178.244 176.600 0.017 0.000 0.984 47 E CA 1.155 57.562 56.400 0.013 0.000 0.806 47 E CB -0.012 29.694 29.700 0.010 0.000 0.750 47 E HN 0.311 nan 8.360 nan 0.000 0.458 48 D N 0.418 120.825 120.400 0.012 0.000 2.144 48 D HA -0.147 4.634 4.640 0.235 0.000 0.199 48 D C 1.948 178.262 176.300 0.023 0.000 0.984 48 D CA 0.914 54.924 54.000 0.017 0.000 0.834 48 D CB -0.118 40.687 40.800 0.008 0.000 0.955 48 D HN 0.313 nan 8.370 nan 0.000 0.465 49 I N 0.849 121.429 120.570 0.017 0.000 2.179 49 I HA -0.254 4.057 4.170 0.235 0.000 0.242 49 I C 2.439 178.584 176.117 0.046 0.000 1.088 49 I CA 1.042 62.356 61.300 0.022 0.000 1.357 49 I CB -0.273 37.728 38.000 0.001 0.000 1.051 49 I HN -0.062 nan 8.210 nan 0.000 0.409 50 A N 0.842 123.689 122.820 0.045 0.000 1.902 50 A HA -0.182 4.279 4.320 0.235 0.000 0.217 50 A C 2.545 180.162 177.584 0.056 0.000 1.181 50 A CA 1.959 54.032 52.037 0.060 0.000 0.623 50 A CB -0.847 18.181 19.000 0.048 0.000 0.818 50 A HN 0.445 nan 8.150 nan 0.000 0.443 51 A N -0.228 122.618 122.820 0.042 0.000 1.902 51 A HA 0.168 4.629 4.320 0.235 0.000 0.217 51 A C 2.495 180.105 177.584 0.044 0.000 1.181 51 A CA 2.065 54.124 52.037 0.038 0.000 0.623 51 A CB -0.969 18.050 19.000 0.033 0.000 0.818 51 A HN 1.057 nan 8.150 nan 0.000 0.443 52 A N -0.546 122.305 122.820 0.051 0.000 1.902 52 A HA 0.016 4.477 4.320 0.235 0.000 0.217 52 A C 2.218 179.845 177.584 0.072 0.000 1.181 52 A CA 1.738 53.809 52.037 0.057 0.000 0.623 52 A CB -0.895 18.139 19.000 0.056 0.000 0.818 52 A HN 0.384 nan 8.150 nan 0.000 0.443 53 V N -0.097 119.874 119.914 0.096 0.000 2.343 53 V HA -0.289 3.972 4.120 0.235 0.000 0.247 53 V C 2.744 178.881 176.094 0.073 0.000 1.051 53 V CA 2.349 64.728 62.300 0.131 0.000 1.036 53 V CB -0.800 31.141 31.823 0.198 0.000 0.654 53 V HN 0.689 nan 8.190 nan 0.000 0.451 54 Q N -0.138 119.694 119.800 0.053 0.000 2.096 54 Q HA -0.220 4.261 4.340 0.235 0.000 0.204 54 Q C 2.174 178.185 176.000 0.019 0.000 0.982 54 Q CA 2.641 58.461 55.803 0.028 0.000 0.850 54 Q CB -1.007 27.746 28.738 0.024 0.000 0.901 54 Q HN 0.670 nan 8.270 nan 0.000 0.422 55 c N -0.663 117.951 118.600 0.024 0.000 2.425 55 c HA -0.030 4.681 4.570 0.235 0.000 0.277 55 c C 2.540 176.640 174.090 0.016 0.000 1.280 55 c CA 0.794 57.131 56.329 0.014 0.000 1.744 55 c CB -1.531 40.986 42.510 0.012 0.000 1.989 55 c HN 0.772 nan 8.230 nan 0.000 0.491 56 G N 0.356 109.175 108.800 0.031 0.000 2.418 56 G HA2 -0.144 3.957 3.960 0.235 0.000 0.217 56 G HA3 -0.144 3.957 3.960 0.235 0.000 0.217 56 G C 1.552 176.454 174.900 0.003 0.000 1.158 56 G CA 0.555 45.673 45.100 0.030 0.000 0.771 56 G HN 0.520 nan 8.290 nan 0.000 0.545 57 L N 0.505 121.724 121.223 -0.005 0.000 2.046 57 L HA -0.080 4.400 4.340 0.235 0.000 0.208 57 L C 2.522 179.379 176.870 -0.021 0.000 1.077 57 L CA 1.233 56.056 54.840 -0.028 0.000 0.747 57 L CB -0.433 41.607 42.059 -0.032 0.000 0.896 57 L HN 0.093 nan 8.230 nan 0.000 0.432 58 D N 0.318 120.711 120.400 -0.011 0.000 2.149 58 D HA -0.161 4.620 4.640 0.235 0.000 0.198 58 D C 2.159 178.453 176.300 -0.010 0.000 0.990 58 D CA 1.548 55.542 54.000 -0.010 0.000 0.839 58 D CB -0.012 40.783 40.800 -0.007 0.000 0.948 58 D HN 0.330 nan 8.370 nan 0.000 0.460 59 A N -0.288 122.529 122.820 -0.006 0.000 2.119 59 A HA 0.329 4.790 4.320 0.235 0.000 0.216 59 A C 1.793 179.373 177.584 -0.006 0.000 1.152 59 A CA 1.282 53.318 52.037 -0.001 0.000 0.708 59 A CB -0.285 18.721 19.000 0.009 0.000 0.805 59 A HN 0.277 nan 8.150 nan 0.000 0.460 60 G N -0.926 107.864 108.800 -0.017 0.000 2.160 60 G HA2 -0.073 4.027 3.960 0.235 0.000 0.244 60 G HA3 -0.073 4.027 3.960 0.235 0.000 0.244 60 G C 0.241 175.120 174.900 -0.036 0.000 1.022 60 G CA 0.648 45.731 45.100 -0.027 0.000 0.741 60 G HN 1.758 nan 8.290 nan 0.000 0.508 61 V N -3.735 116.157 119.914 -0.037 0.000 3.019 61 V HA 0.836 5.097 4.120 0.235 0.000 0.317 61 V C 0.366 176.394 176.094 -0.110 0.000 1.094 61 V CA -1.297 60.966 62.300 -0.062 0.000 1.000 61 V CB 1.692 33.507 31.823 -0.014 0.000 1.060 61 V HN 0.331 nan 8.190 nan 0.000 0.443 62 Q N 1.312 120.964 119.800 -0.246 0.000 2.368 62 Q HA 0.593 5.073 4.340 0.235 0.000 0.237 62 Q C -0.927 175.019 176.000 -0.089 0.000 0.987 62 Q CA -0.232 55.410 55.803 -0.269 0.000 0.896 62 Q CB 1.673 30.056 28.738 -0.592 0.000 1.241 62 Q HN 0.717 nan 8.270 nan 0.000 0.485 63 I N 0.767 121.407 120.570 0.117 0.000 2.406 63 I HA 0.265 4.576 4.170 0.235 0.000 0.290 63 I C -0.581 175.725 176.117 0.316 0.000 0.999 63 I CA -0.479 60.970 61.300 0.249 0.000 1.124 63 I CB 2.024 40.220 38.000 0.327 0.000 1.289 63 I HN 0.383 nan 8.210 nan 0.000 0.441 64 S N 4.580 120.421 115.700 0.235 0.000 2.530 64 S HA 0.656 5.267 4.470 0.235 0.000 0.322 64 S C -0.044 174.595 174.600 0.066 0.000 1.085 64 S CA -0.619 57.690 58.200 0.180 0.000 1.096 64 S CB 1.644 64.967 63.200 0.205 0.000 0.988 64 S HN 0.704 nan 8.310 nan 0.000 0.466 65 A N 3.376 126.207 122.820 0.018 0.000 2.363 65 A HA 0.574 5.035 4.320 0.235 0.000 0.270 65 A C 0.099 177.706 177.584 0.038 0.000 1.121 65 A CA -0.407 51.623 52.037 -0.011 0.000 0.800 65 A CB 0.394 19.354 19.000 -0.067 0.000 1.052 65 A HN 0.696 nan 8.150 nan 0.000 0.493 66 K N 2.478 122.892 120.400 0.023 0.000 2.413 66 K HA 0.501 4.961 4.320 0.235 0.000 0.257 66 K C 0.670 177.311 176.600 0.069 0.000 0.946 66 K CA -0.098 56.215 56.287 0.045 0.000 0.823 66 K CB 1.364 33.841 32.500 -0.038 0.000 1.109 66 K HN 0.744 nan 8.250 nan 0.000 0.427 67 G N 2.211 111.074 108.800 0.105 0.000 2.632 67 G HA2 0.023 4.124 3.960 0.235 0.000 0.220 67 G HA3 0.023 4.124 3.960 0.235 0.000 0.220 67 G C 0.806 175.755 174.900 0.081 0.000 1.439 67 G CA 0.507 45.672 45.100 0.109 0.000 0.934 67 G HN 0.684 nan 8.290 nan 0.000 0.536 68 G N -0.786 108.056 108.800 0.070 0.000 3.020 68 G HA2 0.391 4.492 3.960 0.235 0.000 0.217 68 G HA3 0.391 4.492 3.960 0.235 0.000 0.217 68 G C 1.174 176.116 174.900 0.070 0.000 1.144 68 G CA 0.713 45.826 45.100 0.022 0.000 0.760 68 G HN 1.659 nan 8.290 nan 0.000 0.548 69 G N 0.095 108.964 108.800 0.116 0.000 2.198 69 G HA2 -0.295 3.806 3.960 0.235 0.000 0.260 69 G HA3 -0.295 3.806 3.960 0.235 0.000 0.260 69 G C 0.711 175.647 174.900 0.059 0.000 1.025 69 G CA 0.527 45.721 45.100 0.157 0.000 0.769 69 G HN 0.553 nan 8.290 nan 0.000 0.507 70 H N -0.210 118.893 119.070 0.054 0.000 2.551 70 H HA 0.264 4.961 4.556 0.234 0.000 0.271 70 H C 1.612 177.026 175.328 0.145 0.000 0.984 70 H CA 0.754 56.804 56.048 0.003 0.000 1.164 70 H CB 0.452 30.120 29.762 -0.155 0.000 1.437 70 H HN 0.423 nan 8.280 nan 0.000 0.550 71 S N 0.674 116.466 115.700 0.152 0.000 2.546 71 S HA -0.096 4.515 4.470 0.235 0.000 0.290 71 S C 0.957 175.673 174.600 0.194 0.000 1.290 71 S CA -0.412 57.828 58.200 0.067 0.000 1.069 71 S CB 0.222 63.477 63.200 0.091 0.000 0.846 71 S HN 0.233 nan 8.310 nan 0.000 0.495 72 Y N 3.171 123.521 120.300 0.084 0.000 2.571 72 Y HA 0.132 4.823 4.550 0.235 0.000 0.294 72 Y C 2.229 178.008 175.900 -0.201 0.000 1.141 72 Y CA 0.544 58.691 58.100 0.079 0.000 1.308 72 Y CB -0.800 37.770 38.460 0.184 0.000 1.002 72 Y HN 0.756 nan 8.280 nan 0.000 0.551 73 G N -1.904 106.715 108.800 -0.301 0.000 3.324 73 G HA2 0.164 4.265 3.960 0.235 0.000 0.251 73 G HA3 0.164 4.265 3.960 0.235 0.000 0.251 73 G C 0.344 174.799 174.900 -0.742 0.000 1.072 73 G CA 0.286 44.981 45.100 -0.674 0.000 0.787 73 G HN 0.083 nan 8.290 nan 0.000 0.537 74 S N -0.725 114.720 115.700 -0.425 0.000 3.783 74 S HA -0.217 4.394 4.470 0.235 0.000 0.360 74 S C 0.799 175.391 174.600 -0.012 0.000 1.006 74 S CA 0.507 58.632 58.200 -0.125 0.000 1.115 74 S CB -2.022 61.083 63.200 -0.158 0.000 0.893 74 S HN 0.515 nan 8.310 nan 0.000 0.475 75 Y N 0.279 120.715 120.300 0.226 0.000 2.571 75 Y HA 0.163 4.855 4.550 0.237 0.000 0.294 75 Y C 2.328 178.367 175.900 0.231 0.000 1.141 75 Y CA 0.481 58.709 58.100 0.214 0.000 1.308 75 Y CB -0.675 37.937 38.460 0.254 0.000 1.002 75 Y HN 0.548 nan 8.280 nan 0.000 0.551 76 G N -1.363 107.664 108.800 0.377 0.000 2.509 76 G HA2 -0.189 3.912 3.960 0.235 0.000 0.218 76 G HA3 -0.189 3.912 3.960 0.235 0.000 0.218 76 G C 1.199 176.191 174.900 0.154 0.000 1.124 76 G CA 0.406 45.656 45.100 0.249 0.000 0.776 76 G HN 0.420 nan 8.290 nan 0.000 0.547 77 F N -0.410 119.586 119.950 0.077 0.000 2.746 77 F HA 0.320 4.987 4.527 0.234 0.000 0.297 77 F C 2.042 177.761 175.800 -0.135 0.000 1.113 77 F CA 0.459 58.470 58.000 0.019 0.000 1.367 77 F CB 0.910 39.949 39.000 0.066 0.000 1.111 77 F HN 0.237 nan 8.300 nan 0.000 0.590 78 G N -0.165 108.697 108.800 0.103 0.000 2.176 78 G HA2 -0.112 3.989 3.960 0.235 0.000 0.232 78 G HA3 -0.112 3.989 3.960 0.235 0.000 0.232 78 G C 1.106 175.928 174.900 -0.130 0.000 0.986 78 G CA -0.157 44.868 45.100 -0.124 0.000 0.643 78 G HN 0.979 nan 8.290 nan 0.000 0.522 79 G N -0.393 108.345 108.800 -0.103 0.000 2.155 79 G HA2 0.098 4.199 3.960 0.235 0.000 0.257 79 G HA3 0.098 4.199 3.960 0.235 0.000 0.257 79 G C 0.152 174.488 174.900 -0.939 0.000 0.983 79 G CA 1.837 46.773 45.100 -0.273 0.000 0.676 79 G HN 2.182 nan 8.290 nan 0.000 0.528 80 E N -1.263 118.274 120.200 -1.105 0.000 2.442 80 E HA 0.521 5.012 4.350 0.235 0.000 0.278 80 E C -1.708 174.628 176.600 -0.440 0.000 1.082 80 E CA -1.106 54.720 56.400 -0.956 0.000 0.861 80 E CB 0.312 29.809 29.700 -0.339 0.000 1.462 80 E HN -0.064 nan 8.360 nan 0.000 0.458 81 D N -0.772 119.610 120.400 -0.030 0.000 2.354 81 D HA 0.435 5.216 4.640 0.235 0.000 0.247 81 D C 0.848 177.287 176.300 0.231 0.000 1.138 81 D CA 1.140 55.250 54.000 0.183 0.000 0.958 81 D CB 1.177 42.114 40.800 0.230 0.000 1.144 81 D HN 0.871 nan 8.370 nan 0.000 0.458 82 G N 0.097 109.065 108.800 0.281 0.000 2.157 82 G HA2 -0.205 3.896 3.960 0.235 0.000 0.248 82 G HA3 -0.205 3.896 3.960 0.235 0.000 0.248 82 G C 0.077 175.187 174.900 0.349 0.000 0.979 82 G CA 0.035 45.310 45.100 0.292 0.000 0.650 82 G HN 0.649 nan 8.290 nan 0.000 0.529 83 H N -1.061 118.087 119.070 0.129 0.000 2.525 83 H HA 0.526 5.222 4.556 0.234 0.000 0.340 83 H C -0.028 175.362 175.328 0.104 0.000 1.168 83 H CA -0.884 55.229 56.048 0.109 0.000 1.247 83 H CB 2.045 31.872 29.762 0.108 0.000 1.568 83 H HN 0.194 nan 8.280 nan 0.000 0.536 84 L N 2.850 124.191 121.223 0.197 0.000 2.313 84 L HA 0.208 4.689 4.340 0.235 0.000 0.282 84 L C -0.223 176.717 176.870 0.116 0.000 1.092 84 L CA 0.120 55.043 54.840 0.139 0.000 0.831 84 L CB 0.384 42.507 42.059 0.106 0.000 1.159 84 L HN 0.567 nan 8.230 nan 0.000 0.442 85 M N 5.257 124.883 119.600 0.044 0.000 2.300 85 M HA 0.431 5.052 4.480 0.235 0.000 0.348 85 M C -1.542 174.741 176.300 -0.028 0.000 1.151 85 M CA -0.639 54.636 55.300 -0.041 0.000 1.046 85 M CB 1.155 33.622 32.600 -0.222 0.000 1.647 85 M HN 0.599 nan 8.290 nan 0.000 0.451 86 L N 4.622 125.831 121.223 -0.024 0.000 2.313 86 L HA 0.341 4.822 4.340 0.235 0.000 0.273 86 L C -0.619 176.234 176.870 -0.028 0.000 1.028 86 L CA -0.119 54.713 54.840 -0.013 0.000 0.871 86 L CB 1.045 43.104 42.059 -0.000 0.000 1.242 86 L HN 0.642 nan 8.230 nan 0.000 0.434 87 E N 2.783 122.962 120.200 -0.036 0.000 2.220 87 E HA 0.123 4.614 4.350 0.235 0.000 0.272 87 E C 0.269 176.877 176.600 0.014 0.000 1.099 87 E CA 0.446 56.836 56.400 -0.016 0.000 0.907 87 E CB 0.457 30.152 29.700 -0.008 0.000 1.022 87 E HN 0.546 nan 8.360 nan 0.000 0.428 88 L N 3.273 124.518 121.223 0.037 0.000 2.607 88 L HA 0.105 4.586 4.340 0.235 0.000 0.228 88 L C 1.089 178.018 176.870 0.098 0.000 1.123 88 L CA 0.150 55.023 54.840 0.055 0.000 0.890 88 L CB -0.169 41.925 42.059 0.059 0.000 1.103 88 L HN 0.500 nan 8.230 nan 0.000 0.468 89 D N -0.022 120.450 120.400 0.120 0.000 2.403 89 D HA -0.196 4.585 4.640 0.235 0.000 0.227 89 D C 1.793 178.279 176.300 0.310 0.000 0.995 89 D CA 0.660 54.767 54.000 0.178 0.000 0.928 89 D CB -0.015 40.870 40.800 0.142 0.000 0.887 89 D HN 0.076 nan 8.370 nan 0.000 0.529 90 R N -0.777 119.850 120.500 0.211 0.000 2.276 90 R HA 0.330 4.811 4.340 0.235 0.000 0.196 90 R C 0.537 176.858 176.300 0.035 0.000 0.961 90 R CA 0.228 56.436 56.100 0.179 0.000 1.024 90 R CB -0.055 30.232 30.300 -0.022 0.000 0.940 90 R HN 0.260 nan 8.270 nan 0.000 0.480 91 M N 1.133 120.765 119.600 0.052 0.000 2.385 91 M HA 0.216 4.836 4.480 0.235 0.000 0.346 91 M C -0.866 175.453 176.300 0.031 0.000 1.180 91 M CA -0.309 54.959 55.300 -0.052 0.000 1.154 91 M CB 0.776 33.373 32.600 -0.005 0.000 1.251 91 M HN 0.102 nan 8.290 nan 0.000 0.430 92 Y N -0.575 119.730 120.300 0.009 0.000 2.719 92 Y HA 0.460 5.151 4.550 0.234 0.000 0.251 92 Y C 0.159 176.111 175.900 0.087 0.000 1.159 92 Y CA -1.147 56.948 58.100 -0.008 0.000 1.166 92 Y CB -0.219 38.112 38.460 -0.215 0.000 1.219 92 Y HN 0.444 nan 8.280 nan 0.000 0.551 93 R N 1.579 122.066 120.500 -0.021 0.000 2.570 93 R HA 0.419 4.900 4.340 0.235 0.000 0.277 93 R C -1.345 175.092 176.300 0.228 0.000 1.039 93 R CA 0.070 56.232 56.100 0.103 0.000 1.065 93 R CB 0.637 30.942 30.300 0.009 0.000 0.964 93 R HN 0.210 nan 8.270 nan 0.000 0.428 94 V N 3.537 123.606 119.914 0.258 0.000 2.482 94 V HA 0.296 4.557 4.120 0.235 0.000 0.295 94 V C -0.841 175.324 176.094 0.119 0.000 1.026 94 V CA -0.534 61.883 62.300 0.195 0.000 0.856 94 V CB 1.739 33.667 31.823 0.175 0.000 1.001 94 V HN 0.832 nan 8.190 nan 0.000 0.424 95 S N 4.158 119.921 115.700 0.104 0.000 2.647 95 S HA 0.726 5.337 4.470 0.235 0.000 0.300 95 S C -0.959 173.681 174.600 0.067 0.000 1.129 95 S CA -0.414 57.829 58.200 0.072 0.000 1.029 95 S CB 1.600 64.841 63.200 0.067 0.000 1.007 95 S HN 0.451 nan 8.310 nan 0.000 0.484 96 V N 5.513 125.452 119.914 0.042 0.000 2.394 96 V HA 0.362 4.623 4.120 0.235 0.000 0.282 96 V C 0.082 176.195 176.094 0.031 0.000 1.031 96 V CA -0.746 61.575 62.300 0.035 0.000 0.881 96 V CB 1.320 33.147 31.823 0.007 0.000 0.982 96 V HN 0.981 nan 8.190 nan 0.000 0.451 97 D N 2.604 123.027 120.400 0.038 0.000 2.478 97 D HA 0.124 4.905 4.640 0.235 0.000 0.269 97 D C 0.676 176.990 176.300 0.023 0.000 1.232 97 D CA -0.656 53.363 54.000 0.030 0.000 1.059 97 D CB 0.586 41.407 40.800 0.035 0.000 1.104 97 D HN 0.363 nan 8.370 nan 0.000 0.566 98 D N -1.034 119.377 120.400 0.019 0.000 2.351 98 D HA -0.100 4.681 4.640 0.235 0.000 0.216 98 D C 0.466 176.777 176.300 0.019 0.000 0.968 98 D CA 0.657 54.666 54.000 0.014 0.000 0.899 98 D CB -0.099 40.708 40.800 0.011 0.000 0.907 98 D HN 0.343 nan 8.370 nan 0.000 0.514 99 N N 0.601 119.317 118.700 0.027 0.000 2.270 99 N HA 0.002 4.883 4.740 0.235 0.000 0.198 99 N C -0.171 175.366 175.510 0.045 0.000 1.117 99 N CA -0.012 53.059 53.050 0.034 0.000 0.845 99 N CB 0.229 38.739 38.487 0.038 0.000 0.980 99 N HN 0.229 nan 8.380 nan 0.000 0.486 100 N N -0.917 117.804 118.700 0.036 0.000 2.800 100 N HA -0.153 4.728 4.740 0.235 0.000 0.250 100 N C -0.986 174.561 175.510 0.061 0.000 1.078 100 N CA 0.108 53.178 53.050 0.033 0.000 0.804 100 N CB -0.968 37.537 38.487 0.030 0.000 1.135 100 N HN -0.061 nan 8.380 nan 0.000 0.565 101 V N 0.834 120.794 119.914 0.077 0.000 2.465 101 V HA 0.622 4.883 4.120 0.235 0.000 0.279 101 V C 0.558 176.722 176.094 0.117 0.000 1.045 101 V CA -0.268 62.101 62.300 0.115 0.000 0.938 101 V CB 1.426 33.312 31.823 0.106 0.000 0.986 101 V HN 0.262 nan 8.190 nan 0.000 0.467 102 A N 3.789 126.709 122.820 0.166 0.000 2.288 102 A HA 0.682 5.142 4.320 0.235 0.000 0.320 102 A C 0.123 177.849 177.584 0.238 0.000 1.217 102 A CA -0.374 51.765 52.037 0.170 0.000 0.840 102 A CB 0.794 19.879 19.000 0.141 0.000 1.179 102 A HN 0.700 nan 8.150 nan 0.000 0.504 103 T N 3.297 117.964 114.554 0.188 0.000 2.744 103 T HA 0.554 5.044 4.350 0.235 0.000 0.291 103 T C -0.350 174.488 174.700 0.230 0.000 0.957 103 T CA 0.275 62.495 62.100 0.199 0.000 1.002 103 T CB -0.195 68.753 68.868 0.133 0.000 0.919 103 T HN 0.439 nan 8.240 nan 0.000 0.468 104 I N 3.509 124.269 120.570 0.318 0.000 2.447 104 I HA 0.288 4.599 4.170 0.235 0.000 0.287 104 I C 0.354 176.682 176.117 0.353 0.000 1.023 104 I CA -0.941 60.562 61.300 0.338 0.000 1.083 104 I CB 2.060 40.301 38.000 0.401 0.000 1.245 104 I HN 0.410 nan 8.210 nan 0.000 0.434 105 Q N 3.033 122.985 119.800 0.253 0.000 2.392 105 Q HA 0.102 4.582 4.340 0.235 0.000 0.262 105 Q C 1.406 177.574 176.000 0.279 0.000 1.003 105 Q CA 0.250 56.168 55.803 0.192 0.000 0.888 105 Q CB 1.091 29.890 28.738 0.102 0.000 1.260 105 Q HN 0.933 nan 8.270 nan 0.000 0.435 106 G N 1.750 110.667 108.800 0.196 0.000 2.499 106 G HA2 -0.220 3.881 3.960 0.235 0.000 0.221 106 G HA3 -0.220 3.881 3.960 0.235 0.000 0.221 106 G C 0.889 175.949 174.900 0.267 0.000 1.109 106 G CA 0.776 46.039 45.100 0.272 0.000 0.749 106 G HN 0.743 nan 8.290 nan 0.000 0.568 107 G N -0.465 108.452 108.800 0.195 0.000 3.233 107 G HA2 0.499 4.600 3.960 0.235 0.000 0.234 107 G HA3 0.499 4.600 3.960 0.235 0.000 0.234 107 G C 0.602 175.604 174.900 0.171 0.000 1.137 107 G CA 0.586 45.786 45.100 0.168 0.000 0.763 107 G HN 0.618 nan 8.290 nan 0.000 0.549 108 A N 0.598 123.541 122.820 0.205 0.000 2.407 108 A HA 0.704 5.165 4.320 0.235 0.000 0.248 108 A C 0.463 178.089 177.584 0.070 0.000 1.082 108 A CA -0.233 51.911 52.037 0.179 0.000 0.785 108 A CB 0.534 19.693 19.000 0.265 0.000 1.020 108 A HN 0.400 nan 8.150 nan 0.000 0.489 109 R N 1.016 121.517 120.500 0.001 0.000 2.758 109 R HA 0.459 4.939 4.340 0.235 0.000 0.265 109 R C 0.782 177.004 176.300 -0.129 0.000 1.016 109 R CA -0.858 55.182 56.100 -0.099 0.000 1.040 109 R CB 0.884 31.081 30.300 -0.171 0.000 1.152 109 R HN 0.710 nan 8.270 nan 0.000 0.503 110 L N 0.713 121.777 121.223 -0.266 0.000 2.012 110 L HA -0.179 4.302 4.340 0.235 0.000 0.210 110 L C 2.340 179.026 176.870 -0.307 0.000 1.073 110 L CA 1.899 56.484 54.840 -0.424 0.000 0.748 110 L CB -0.811 40.912 42.059 -0.561 0.000 0.891 110 L HN 0.963 nan 8.230 nan 0.000 0.431 111 G N -0.777 107.909 108.800 -0.190 0.000 2.480 111 G HA2 -0.365 3.736 3.960 0.235 0.000 0.216 111 G HA3 -0.365 3.736 3.960 0.235 0.000 0.216 111 G C 1.515 176.386 174.900 -0.048 0.000 1.200 111 G CA 1.000 46.035 45.100 -0.108 0.000 0.782 111 G HN 0.370 nan 8.290 nan 0.000 0.554 112 Y N 1.828 122.047 120.300 -0.134 0.000 2.165 112 Y HA -0.161 4.529 4.550 0.234 0.000 0.286 112 Y C 3.101 178.967 175.900 -0.057 0.000 1.155 112 Y CA 2.301 60.345 58.100 -0.095 0.000 1.164 112 Y CB -0.446 37.936 38.460 -0.131 0.000 0.978 112 Y HN 0.203 nan 8.280 nan 0.000 0.513 113 T N 0.589 115.138 114.554 -0.007 0.000 2.708 113 T HA -0.209 4.281 4.350 0.235 0.000 0.266 113 T C 2.121 176.740 174.700 -0.135 0.000 1.037 113 T CA 1.588 63.640 62.100 -0.079 0.000 1.146 113 T CB -0.824 67.988 68.868 -0.094 0.000 0.865 113 T HN 0.502 nan 8.240 nan 0.000 0.435 114 A N 1.080 123.835 122.820 -0.110 0.000 1.940 114 A HA -0.011 4.449 4.320 0.235 0.000 0.219 114 A C 2.304 179.892 177.584 0.007 0.000 1.176 114 A CA 1.223 53.273 52.037 0.021 0.000 0.631 114 A CB -0.823 18.232 19.000 0.090 0.000 0.814 114 A HN 0.484 nan 8.150 nan 0.000 0.446 115 L N -0.821 120.358 121.223 -0.073 0.000 2.027 115 L HA -0.147 4.334 4.340 0.235 0.000 0.206 115 L C 2.677 179.455 176.870 -0.153 0.000 1.074 115 L CA 1.202 55.990 54.840 -0.087 0.000 0.745 115 L CB -0.574 41.408 42.059 -0.130 0.000 0.898 115 L HN 0.312 nan 8.230 nan 0.000 0.433 116 E N 0.382 120.421 120.200 -0.268 0.000 2.077 116 E HA -0.176 4.314 4.350 0.235 0.000 0.193 116 E C 2.364 178.890 176.600 -0.122 0.000 0.989 116 E CA 1.116 57.378 56.400 -0.230 0.000 0.800 116 E CB -0.319 29.203 29.700 -0.298 0.000 0.746 116 E HN 0.470 nan 8.360 nan 0.000 0.452 117 L N 0.354 121.516 121.223 -0.103 0.000 2.046 117 L HA -0.176 4.304 4.340 0.235 0.000 0.208 117 L C 2.640 179.460 176.870 -0.082 0.000 1.077 117 L CA 0.861 55.646 54.840 -0.092 0.000 0.747 117 L CB -0.457 41.535 42.059 -0.111 0.000 0.896 117 L HN 0.116 nan 8.230 nan 0.000 0.432 118 L N -0.367 120.830 121.223 -0.043 0.000 2.027 118 L HA -0.235 4.246 4.340 0.235 0.000 0.206 118 L C 2.236 179.073 176.870 -0.055 0.000 1.074 118 L CA 1.423 56.248 54.840 -0.025 0.000 0.745 118 L CB -0.414 41.669 42.059 0.041 0.000 0.898 118 L HN 0.272 nan 8.230 nan 0.000 0.433 119 D N -0.301 120.058 120.400 -0.069 0.000 2.178 119 D HA -0.167 4.613 4.640 0.235 0.000 0.202 119 D C 1.012 177.278 176.300 -0.057 0.000 0.974 119 D CA 0.902 54.859 54.000 -0.071 0.000 0.841 119 D CB 0.189 40.940 40.800 -0.081 0.000 0.953 119 D HN 0.259 nan 8.370 nan 0.000 0.478 120 Q N -0.828 118.938 119.800 -0.057 0.000 3.091 120 Q HA 0.440 4.920 4.340 0.235 0.000 0.301 120 Q C 0.248 176.221 176.000 -0.045 0.000 1.337 120 Q CA 0.093 55.870 55.803 -0.043 0.000 1.083 120 Q CB 0.751 29.469 28.738 -0.034 0.000 1.477 120 Q HN 0.319 nan 8.270 nan 0.000 0.537 121 G N 2.180 110.953 108.800 -0.045 0.000 2.134 121 G HA2 -0.301 3.800 3.960 0.235 0.000 0.209 121 G HA3 -0.301 3.800 3.960 0.235 0.000 0.209 121 G C 0.266 175.127 174.900 -0.064 0.000 0.993 121 G CA -0.139 44.933 45.100 -0.046 0.000 0.669 121 G HN 0.665 nan 8.290 nan 0.000 0.519 122 N N -0.880 117.778 118.700 -0.069 0.000 2.725 122 N HA -0.201 4.680 4.740 0.235 0.000 0.251 122 N C 0.816 176.241 175.510 -0.142 0.000 1.031 122 N CA 1.613 54.614 53.050 -0.081 0.000 0.720 122 N CB -0.277 38.174 38.487 -0.060 0.000 0.930 122 N HN 0.776 nan 8.380 nan 0.000 0.543 123 R N 0.143 120.539 120.500 -0.173 0.000 2.608 123 R HA 0.918 5.399 4.340 0.235 0.000 0.255 123 R C 0.149 176.186 176.300 -0.439 0.000 1.086 123 R CA -0.099 55.826 56.100 -0.291 0.000 1.125 123 R CB 0.898 31.062 30.300 -0.227 0.000 1.193 123 R HN 0.306 nan 8.270 nan 0.000 0.553 124 A N 0.233 122.583 122.820 -0.784 0.000 2.602 124 A HA 0.697 5.158 4.320 0.235 0.000 0.290 124 A C -1.812 174.941 177.584 -1.387 0.000 1.114 124 A CA -0.506 50.934 52.037 -0.995 0.000 0.683 124 A CB 1.667 19.698 19.000 -1.614 0.000 1.281 124 A HN 0.424 nan 8.150 nan 0.000 0.416 125 L N -0.025 120.682 121.223 -0.860 0.000 2.359 125 L HA 0.800 5.281 4.340 0.235 0.000 0.256 125 L C 0.002 176.709 176.870 -0.270 0.000 1.026 125 L CA -0.081 54.325 54.840 -0.722 0.000 0.828 125 L CB 2.233 44.066 42.059 -0.377 0.000 1.406 125 L HN 0.785 nan 8.230 nan 0.000 0.413 126 S N 1.393 116.991 115.700 -0.170 0.000 2.430 126 S HA 0.697 5.308 4.470 0.235 0.000 0.289 126 S C -0.840 173.796 174.600 0.060 0.000 1.143 126 S CA -0.006 58.221 58.200 0.045 0.000 1.067 126 S CB -0.582 62.703 63.200 0.142 0.000 0.964 126 S HN 0.867 nan 8.310 nan 0.000 0.485 127 H N 1.143 120.311 119.070 0.163 0.000 2.918 127 H HA 0.693 5.389 4.556 0.234 0.000 0.303 127 H C 0.343 175.788 175.328 0.196 0.000 1.380 127 H CA -0.629 55.559 56.048 0.234 0.000 1.134 127 H CB 0.102 29.940 29.762 0.127 0.000 1.842 127 H HN 0.616 nan 8.280 nan 0.000 0.533 128 G N -1.054 108.056 108.800 0.516 0.000 2.712 128 G HA2 0.277 4.378 3.960 0.235 0.000 0.258 128 G HA3 0.277 4.378 3.960 0.235 0.000 0.258 128 G C 0.934 175.925 174.900 0.152 0.000 1.241 128 G CA 0.076 45.317 45.100 0.236 0.000 0.923 128 G HN 1.010 nan 8.290 nan 0.000 0.548 129 T N -3.615 110.990 114.554 0.084 0.000 2.978 129 T HA -0.058 4.433 4.350 0.235 0.000 0.262 129 T C 1.100 175.827 174.700 0.045 0.000 1.063 129 T CA 0.395 62.554 62.100 0.099 0.000 1.140 129 T CB -0.440 68.531 68.868 0.171 0.000 0.886 129 T HN 0.328 nan 8.240 nan 0.000 0.470 130 C N 5.053 124.341 119.300 -0.019 0.000 2.555 130 C HA 0.306 4.907 4.460 0.235 0.000 0.385 130 C C -0.247 174.620 174.990 -0.205 0.000 1.296 130 C CA -1.556 57.392 59.018 -0.116 0.000 1.757 130 C CB 0.536 28.144 27.740 -0.220 0.000 2.445 130 C HN 0.446 nan 8.230 nan 0.000 0.571 131 P HA -0.129 nan 4.420 nan 0.000 0.220 131 P C 1.226 178.373 177.300 -0.254 0.000 1.148 131 P CA 1.782 64.773 63.100 -0.183 0.000 0.803 131 P CB 0.212 31.840 31.700 -0.119 0.000 0.782 132 A N -0.037 122.580 122.820 -0.338 0.000 2.067 132 A HA 0.082 4.543 4.320 0.235 0.000 0.217 132 A C 1.257 178.559 177.584 -0.470 0.000 1.156 132 A CA 0.199 51.937 52.037 -0.499 0.000 0.683 132 A CB -0.962 17.672 19.000 -0.610 0.000 0.808 132 A HN 0.051 nan 8.150 nan 0.000 0.455 133 V N 0.957 120.586 119.914 -0.476 0.000 2.694 133 V HA 0.272 4.533 4.120 0.235 0.000 0.306 133 V C 1.232 177.193 176.094 -0.221 0.000 1.054 133 V CA 0.302 62.401 62.300 -0.334 0.000 1.161 133 V CB 0.537 32.131 31.823 -0.382 0.000 0.916 133 V HN 0.431 nan 8.190 nan 0.000 0.490 134 G N 3.563 112.309 108.800 -0.090 0.000 2.380 134 G HA2 0.352 4.453 3.960 0.235 0.000 0.262 134 G HA3 0.352 4.453 3.960 0.235 0.000 0.262 134 G C 0.918 175.813 174.900 -0.009 0.000 1.243 134 G CA -0.472 44.611 45.100 -0.029 0.000 0.865 134 G HN 0.600 nan 8.290 nan 0.000 0.513 135 V N 3.651 123.553 119.914 -0.019 0.000 2.380 135 V HA -0.204 4.057 4.120 0.235 0.000 0.251 135 V C 2.999 179.069 176.094 -0.041 0.000 1.063 135 V CA 2.598 64.874 62.300 -0.041 0.000 1.055 135 V CB -0.982 30.815 31.823 -0.044 0.000 0.657 135 V HN 0.832 nan 8.190 nan 0.000 0.455 136 G N 0.179 109.036 108.800 0.096 0.000 2.511 136 G HA2 -0.203 3.898 3.960 0.235 0.000 0.216 136 G HA3 -0.203 3.898 3.960 0.235 0.000 0.216 136 G C 1.641 176.657 174.900 0.194 0.000 1.218 136 G CA 0.983 46.225 45.100 0.237 0.000 0.788 136 G HN 0.584 nan 8.290 nan 0.000 0.560 137 G N -0.422 108.491 108.800 0.189 0.000 2.422 137 G HA2 -0.219 3.882 3.960 0.235 0.000 0.218 137 G HA3 -0.219 3.882 3.960 0.235 0.000 0.218 137 G C 1.586 176.593 174.900 0.179 0.000 1.146 137 G CA 1.419 46.638 45.100 0.199 0.000 0.769 137 G HN 0.557 nan 8.290 nan 0.000 0.547 138 H N 0.035 119.123 119.070 0.030 0.000 2.267 138 H HA -0.052 4.645 4.556 0.235 0.000 0.297 138 H C 2.592 177.946 175.328 0.044 0.000 1.080 138 H CA 1.841 57.898 56.048 0.015 0.000 1.278 138 H CB -0.508 29.245 29.762 -0.015 0.000 1.365 138 H HN 0.085 nan 8.280 nan 0.000 0.489 139 V N 0.302 120.242 119.914 0.043 0.000 2.515 139 V HA -0.137 4.123 4.120 0.235 0.000 0.250 139 V C 2.307 178.417 176.094 0.027 0.000 1.058 139 V CA 1.524 63.822 62.300 -0.004 0.000 1.064 139 V CB -0.466 31.344 31.823 -0.021 0.000 0.675 139 V HN 0.452 nan 8.190 nan 0.000 0.461 140 L N 0.105 121.381 121.223 0.087 0.000 2.275 140 L HA -0.000 4.480 4.340 0.235 0.000 0.215 140 L C 2.321 179.290 176.870 0.165 0.000 1.119 140 L CA 1.458 56.374 54.840 0.125 0.000 0.790 140 L CB -0.816 41.358 42.059 0.193 0.000 0.919 140 L HN 0.501 nan 8.230 nan 0.000 0.443 141 G N -1.840 107.071 108.800 0.185 0.000 2.833 141 G HA2 0.405 4.506 3.960 0.235 0.000 0.210 141 G HA3 0.405 4.506 3.960 0.235 0.000 0.210 141 G C 0.950 176.025 174.900 0.293 0.000 1.139 141 G CA 0.642 45.896 45.100 0.258 0.000 0.771 141 G HN 0.481 nan 8.290 nan 0.000 0.535 142 G N -0.933 107.947 108.800 0.133 0.000 2.340 142 G HA2 0.441 4.542 3.960 0.235 0.000 0.106 142 G HA3 0.441 4.542 3.960 0.235 0.000 0.106 142 G C 0.514 175.338 174.900 -0.127 0.000 2.445 142 G CA 0.719 45.847 45.100 0.048 0.000 1.363 142 G HN 1.824 nan 8.290 nan 0.000 0.412 143 G N -0.429 108.248 108.800 -0.206 0.000 2.662 143 G HA2 0.345 4.446 3.960 0.235 0.000 0.558 143 G HA3 0.345 4.446 3.960 0.235 0.000 0.558 143 G C -0.735 174.082 174.900 -0.138 0.000 1.081 143 G CA 0.354 45.026 45.100 -0.713 0.000 1.261 143 G HN 1.696 nan 8.290 nan 0.000 0.559 144 Y N 1.620 121.878 120.300 -0.070 0.000 2.387 144 Y HA 0.761 5.452 4.550 0.234 0.000 0.336 144 Y C 0.761 176.690 175.900 0.048 0.000 1.067 144 Y CA 0.792 58.872 58.100 -0.033 0.000 1.114 144 Y CB 1.880 40.256 38.460 -0.140 0.000 1.208 144 Y HN 0.992 nan 8.280 nan 0.000 0.458 145 G N 2.664 111.101 108.800 -0.604 0.000 2.570 145 G HA2 0.129 4.230 3.960 0.235 0.000 0.310 145 G HA3 0.129 4.230 3.960 0.235 0.000 0.310 145 G C -1.103 173.445 174.900 -0.588 0.000 1.266 145 G CA -0.797 44.019 45.100 -0.474 0.000 0.825 145 G HN 0.415 nan 8.290 nan 0.000 0.483 146 F N 1.241 121.072 119.950 -0.197 0.000 2.805 146 F HA 0.350 5.018 4.527 0.235 0.000 0.301 146 F C 2.148 178.002 175.800 0.091 0.000 1.196 146 F CA 1.024 58.958 58.000 -0.110 0.000 1.439 146 F CB 0.367 39.247 39.000 -0.199 0.000 1.117 146 F HN 0.443 nan 8.300 nan 0.000 0.581 147 A N -1.507 121.441 122.820 0.213 0.000 2.419 147 A HA 0.130 4.591 4.320 0.235 0.000 0.233 147 A C 1.969 179.620 177.584 0.112 0.000 1.217 147 A CA 0.327 52.588 52.037 0.374 0.000 0.944 147 A CB -0.599 18.745 19.000 0.575 0.000 1.025 147 A HN 0.193 nan 8.150 nan 0.000 0.524 148 T N -0.694 113.813 114.554 -0.080 0.000 2.788 148 T HA -0.160 4.330 4.350 0.235 0.000 0.268 148 T C 1.820 176.464 174.700 -0.094 0.000 1.044 148 T CA 1.552 63.557 62.100 -0.159 0.000 1.139 148 T CB -0.468 68.109 68.868 -0.485 0.000 0.867 148 T HN 0.622 nan 8.240 nan 0.000 0.454 149 H N 0.715 119.716 119.070 -0.115 0.000 2.457 149 H HA -0.028 4.669 4.556 0.235 0.000 0.294 149 H C 1.737 176.962 175.328 -0.171 0.000 1.064 149 H CA 1.471 57.469 56.048 -0.082 0.000 1.330 149 H CB 0.195 29.968 29.762 0.017 0.000 1.395 149 H HN 0.323 nan 8.280 nan 0.000 0.541 150 T N -1.068 113.383 114.554 -0.171 0.000 3.033 150 T HA 0.040 4.530 4.350 0.235 0.000 0.248 150 T C 0.979 175.240 174.700 -0.733 0.000 1.040 150 T CA 0.351 62.115 62.100 -0.561 0.000 1.133 150 T CB 0.231 68.459 68.868 -1.066 0.000 0.895 150 T HN 0.477 nan 8.240 nan 0.000 0.465 151 H N 0.236 119.173 119.070 -0.222 0.000 2.662 151 H HA 0.461 5.157 4.556 0.234 0.000 0.268 151 H C 1.379 176.818 175.328 0.185 0.000 1.152 151 H CA 0.259 56.285 56.048 -0.037 0.000 1.072 151 H CB 0.277 29.919 29.762 -0.199 0.000 1.660 151 H HN 0.481 nan 8.280 nan 0.000 0.584 152 G N 1.269 110.117 108.800 0.082 0.000 2.697 152 G HA2 -0.283 3.817 3.960 0.235 0.000 0.240 152 G HA3 -0.283 3.817 3.960 0.235 0.000 0.240 152 G C -0.203 174.743 174.900 0.078 0.000 1.346 152 G CA -0.300 44.821 45.100 0.035 0.000 0.887 152 G HN 0.217 nan 8.290 nan 0.000 0.569 153 L N -0.108 121.118 121.223 0.004 0.000 2.466 153 L HA 0.328 4.809 4.340 0.235 0.000 0.257 153 L C 2.339 179.306 176.870 0.162 0.000 1.189 153 L CA 0.037 54.868 54.840 -0.016 0.000 0.813 153 L CB 0.645 42.580 42.059 -0.207 0.000 1.118 153 L HN 0.792 nan 8.230 nan 0.000 0.471 154 T N 1.244 115.866 114.554 0.113 0.000 2.803 154 T HA -0.149 4.342 4.350 0.235 0.000 0.269 154 T C 1.564 176.479 174.700 0.358 0.000 1.052 154 T CA 1.675 63.904 62.100 0.214 0.000 1.136 154 T CB -0.276 68.652 68.868 0.100 0.000 0.864 154 T HN 0.553 nan 8.240 nan 0.000 0.467 155 L N 0.249 121.576 121.223 0.174 0.000 2.376 155 L HA 0.204 4.685 4.340 0.235 0.000 0.219 155 L C 1.371 178.287 176.870 0.077 0.000 1.133 155 L CA 1.364 56.269 54.840 0.109 0.000 0.816 155 L CB -0.731 41.304 42.059 -0.040 0.000 0.933 155 L HN -0.061 nan 8.230 nan 0.000 0.449 156 D N -0.712 119.747 120.400 0.098 0.000 2.363 156 D HA -0.090 4.691 4.640 0.235 0.000 0.220 156 D C 1.079 177.280 176.300 -0.165 0.000 0.994 156 D CA 0.924 54.888 54.000 -0.059 0.000 0.890 156 D CB -0.072 40.655 40.800 -0.121 0.000 0.906 156 D HN 0.602 nan 8.370 nan 0.000 0.530 157 W N 0.345 121.758 121.300 0.187 0.000 3.127 157 W HA 0.245 5.047 4.660 0.236 0.000 0.344 157 W C 0.253 176.965 176.519 0.322 0.000 1.151 157 W CA -0.602 56.910 57.345 0.278 0.000 1.765 157 W CB 0.172 29.834 29.460 0.336 0.000 1.085 157 W HN -0.176 nan 8.180 nan 0.000 0.596 158 L N 2.522 123.922 121.223 0.295 0.000 2.367 158 L HA 0.211 4.691 4.340 0.235 0.000 0.275 158 L C 0.908 177.913 176.870 0.225 0.000 1.129 158 L CA 0.358 55.179 54.840 -0.031 0.000 0.839 158 L CB 0.449 42.397 42.059 -0.186 0.000 1.133 158 L HN 0.261 nan 8.230 nan 0.000 0.453 159 I N 1.152 121.847 120.570 0.207 0.000 4.240 159 I HA 0.686 4.997 4.170 0.235 0.000 0.331 159 I C 0.487 176.567 176.117 -0.061 0.000 1.381 159 I CA 0.104 61.518 61.300 0.191 0.000 1.136 159 I CB 0.356 38.410 38.000 0.091 0.000 1.137 159 I HN 0.623 nan 8.210 nan 0.000 0.411 160 G N 1.021 109.837 108.800 0.026 0.000 2.338 160 G HA2 0.692 4.793 3.960 0.235 0.000 0.295 160 G HA3 0.692 4.793 3.960 0.235 0.000 0.295 160 G C -2.011 172.859 174.900 -0.051 0.000 1.461 160 G CA -0.100 44.876 45.100 -0.207 0.000 0.817 160 G HN 0.592 nan 8.290 nan 0.000 0.556 161 A N -0.909 121.767 122.820 -0.240 0.000 2.586 161 A HA 0.889 5.349 4.320 0.235 0.000 0.291 161 A C -0.748 176.678 177.584 -0.263 0.000 1.062 161 A CA -0.267 51.651 52.037 -0.200 0.000 0.666 161 A CB 1.402 20.282 19.000 -0.200 0.000 1.281 161 A HN 1.322 nan 8.150 nan 0.000 0.421 162 T N 1.317 115.766 114.554 -0.175 0.000 2.791 162 T HA 0.610 5.101 4.350 0.235 0.000 0.288 162 T C -0.201 174.416 174.700 -0.139 0.000 0.999 162 T CA -0.017 62.030 62.100 -0.088 0.000 0.952 162 T CB 0.697 69.559 68.868 -0.011 0.000 0.938 162 T HN 1.790 nan 8.240 nan 0.000 0.444 163 V N 1.294 121.148 119.914 -0.100 0.000 3.074 163 V HA 0.918 5.179 4.120 0.235 0.000 0.314 163 V C -0.893 175.189 176.094 -0.020 0.000 1.117 163 V CA -0.917 61.326 62.300 -0.094 0.000 1.014 163 V CB 2.082 33.842 31.823 -0.106 0.000 1.057 163 V HN 0.512 nan 8.190 nan 0.000 0.438 164 V N 3.518 123.429 119.914 -0.004 0.000 2.417 164 V HA 0.487 4.748 4.120 0.235 0.000 0.291 164 V C 0.206 176.411 176.094 0.185 0.000 1.024 164 V CA -0.435 61.908 62.300 0.072 0.000 0.861 164 V CB 1.166 33.025 31.823 0.059 0.000 0.985 164 V HN 0.834 nan 8.190 nan 0.000 0.436 165 L N 3.039 124.400 121.223 0.230 0.000 2.469 165 L HA 0.441 4.922 4.340 0.235 0.000 0.253 165 L C 1.928 179.001 176.870 0.337 0.000 1.143 165 L CA -0.198 54.841 54.840 0.333 0.000 0.804 165 L CB 0.570 42.772 42.059 0.239 0.000 1.214 165 L HN 0.726 nan 8.230 nan 0.000 0.476 166 A N 0.479 123.349 122.820 0.083 0.000 2.076 166 A HA -0.177 4.284 4.320 0.235 0.000 0.220 166 A C 1.295 178.765 177.584 -0.190 0.000 1.160 166 A CA 1.708 53.464 52.037 -0.467 0.000 0.653 166 A CB -0.636 18.032 19.000 -0.554 0.000 0.801 166 A HN 0.881 nan 8.150 nan 0.000 0.455 167 D N -2.308 118.069 120.400 -0.039 0.000 2.358 167 D HA 0.410 5.191 4.640 0.235 0.000 0.224 167 D C 0.731 177.047 176.300 0.025 0.000 1.123 167 D CA 0.550 54.539 54.000 -0.019 0.000 0.833 167 D CB -0.280 40.515 40.800 -0.009 0.000 0.946 167 D HN 0.911 nan 8.370 nan 0.000 0.505 168 A N -0.133 122.727 122.820 0.067 0.000 3.396 168 A HA -0.219 4.242 4.320 0.235 0.000 0.267 168 A C 0.972 178.601 177.584 0.076 0.000 1.139 168 A CA 1.016 53.104 52.037 0.085 0.000 1.115 168 A CB -2.613 16.420 19.000 0.055 0.000 1.133 168 A HN 0.804 nan 8.150 nan 0.000 0.920 169 S N -0.795 114.951 115.700 0.078 0.000 2.600 169 S HA 0.706 5.317 4.470 0.235 0.000 0.265 169 S C 0.032 174.679 174.600 0.077 0.000 1.325 169 S CA 0.030 58.271 58.200 0.069 0.000 1.002 169 S CB 1.195 64.436 63.200 0.069 0.000 0.921 169 S HN 0.813 nan 8.310 nan 0.000 0.554 170 I N 1.605 122.213 120.570 0.062 0.000 2.418 170 I HA 0.509 4.820 4.170 0.235 0.000 0.287 170 I C -0.352 175.800 176.117 0.059 0.000 1.008 170 I CA -0.906 60.426 61.300 0.053 0.000 1.104 170 I CB 1.717 39.740 38.000 0.038 0.000 1.264 170 I HN 0.701 nan 8.210 nan 0.000 0.438 171 V N 2.540 122.490 119.914 0.059 0.000 3.102 171 V HA 0.581 4.841 4.120 0.235 0.000 0.312 171 V C -1.057 175.074 176.094 0.062 0.000 1.135 171 V CA -0.626 61.716 62.300 0.071 0.000 1.022 171 V CB 2.153 34.027 31.823 0.086 0.000 1.056 171 V HN 0.757 nan 8.190 nan 0.000 0.436 172 H N 1.258 120.319 119.070 -0.015 0.000 2.472 172 H HA 0.810 5.507 4.556 0.235 0.000 0.338 172 H C -1.149 174.144 175.328 -0.057 0.000 1.133 172 H CA 0.028 56.050 56.048 -0.044 0.000 1.216 172 H CB 2.064 31.797 29.762 -0.049 0.000 1.497 172 H HN 0.967 nan 8.280 nan 0.000 0.500 173 V N 1.971 121.474 119.914 -0.685 0.000 2.876 173 V HA 0.802 5.062 4.120 0.235 0.000 0.312 173 V C -0.551 175.085 176.094 -0.763 0.000 1.085 173 V CA -0.250 61.787 62.300 -0.439 0.000 0.945 173 V CB 1.372 33.102 31.823 -0.155 0.000 1.017 173 V HN 0.966 nan 8.190 nan 0.000 0.428 174 S N 1.184 116.424 115.700 -0.766 0.000 2.683 174 S HA 0.413 5.023 4.470 0.235 0.000 0.269 174 S C 0.261 174.376 174.600 -0.809 0.000 1.165 174 S CA -0.205 57.239 58.200 -1.259 0.000 0.840 174 S CB 1.374 64.253 63.200 -0.535 0.000 1.169 174 S HN 0.765 nan 8.310 nan 0.000 0.490 175 E N 0.686 120.558 120.200 -0.546 0.000 2.409 175 E HA -0.050 4.441 4.350 0.235 0.000 0.198 175 E C 1.151 177.728 176.600 -0.038 0.000 1.024 175 E CA 1.568 57.937 56.400 -0.052 0.000 0.861 175 E CB -0.227 29.506 29.700 0.055 0.000 0.788 175 E HN 0.785 nan 8.360 nan 0.000 0.521 176 T N -2.844 111.655 114.554 -0.091 0.000 3.040 176 T HA 0.158 4.649 4.350 0.235 0.000 0.266 176 T C 0.319 175.003 174.700 -0.027 0.000 1.005 176 T CA -0.407 61.670 62.100 -0.040 0.000 0.906 176 T CB 0.522 69.370 68.868 -0.034 0.000 1.082 176 T HN -0.083 nan 8.240 nan 0.000 0.531 177 E N 1.315 121.485 120.200 -0.050 0.000 2.244 177 E HA 0.387 4.878 4.350 0.235 0.000 0.260 177 E C -0.900 175.697 176.600 -0.004 0.000 0.884 177 E CA -0.581 55.817 56.400 -0.003 0.000 0.777 177 E CB 0.533 30.265 29.700 0.053 0.000 1.197 177 E HN 0.374 nan 8.360 nan 0.000 0.416 178 N N 2.681 121.415 118.700 0.055 0.000 2.727 178 N HA -0.306 4.575 4.740 0.235 0.000 0.249 178 N C 0.686 176.253 175.510 0.095 0.000 1.048 178 N CA 0.384 53.501 53.050 0.112 0.000 0.714 178 N CB -0.589 37.956 38.487 0.096 0.000 0.959 178 N HN 0.571 nan 8.380 nan 0.000 0.544 179 A N 0.582 123.454 122.820 0.088 0.000 1.986 179 A HA -0.286 4.175 4.320 0.235 0.000 0.220 179 A C 2.038 179.729 177.584 0.178 0.000 1.171 179 A CA 2.101 54.219 52.037 0.134 0.000 0.640 179 A CB -0.265 18.786 19.000 0.086 0.000 0.811 179 A HN 0.686 nan 8.150 nan 0.000 0.451 180 D N 0.044 120.525 120.400 0.136 0.000 2.117 180 D HA -0.154 4.627 4.640 0.235 0.000 0.198 180 D C 1.751 178.134 176.300 0.138 0.000 0.982 180 D CA 1.360 55.437 54.000 0.129 0.000 0.828 180 D CB -0.855 40.026 40.800 0.135 0.000 0.967 180 D HN 0.382 nan 8.370 nan 0.000 0.464 181 L N -0.639 120.595 121.223 0.018 0.000 2.093 181 L HA 0.033 4.514 4.340 0.235 0.000 0.208 181 L C 2.185 178.993 176.870 -0.104 0.000 1.085 181 L CA 1.163 55.834 54.840 -0.282 0.000 0.755 181 L CB -0.885 40.688 42.059 -0.811 0.000 0.904 181 L HN -0.055 nan 8.230 nan 0.000 0.435 182 F N -1.041 118.835 119.950 -0.124 0.000 2.134 182 F HA -0.223 4.444 4.527 0.232 0.000 0.299 182 F C 2.158 177.942 175.800 -0.028 0.000 1.097 182 F CA 1.710 59.658 58.000 -0.087 0.000 1.264 182 F CB -0.773 38.194 39.000 -0.054 0.000 1.001 182 F HN 0.337 nan 8.300 nan 0.000 0.479 183 W N 0.884 122.098 121.300 -0.144 0.000 2.335 183 W HA -0.176 4.634 4.660 0.251 0.000 0.311 183 W C 2.384 178.716 176.519 -0.313 0.000 1.213 183 W CA 2.859 60.076 57.345 -0.213 0.000 1.274 183 W CB -0.751 28.647 29.460 -0.104 0.000 1.148 183 W HN 0.049 nan 8.180 nan 0.000 0.498 184 A N 0.072 122.813 122.820 -0.133 0.000 1.933 184 A HA -0.168 4.293 4.320 0.235 0.000 0.218 184 A C 2.039 179.201 177.584 -0.704 0.000 1.175 184 A CA 1.714 53.386 52.037 -0.607 0.000 0.628 184 A CB -1.073 17.341 19.000 -0.977 0.000 0.814 184 A HN 0.390 nan 8.150 nan 0.000 0.444 185 L N -1.031 119.901 121.223 -0.486 0.000 2.275 185 L HA -0.067 4.414 4.340 0.235 0.000 0.215 185 L C 1.151 177.850 176.870 -0.284 0.000 1.119 185 L CA 0.555 55.211 54.840 -0.306 0.000 0.790 185 L CB -0.236 41.715 42.059 -0.180 0.000 0.919 185 L HN 0.253 nan 8.230 nan 0.000 0.443 186 R N 0.362 120.603 120.500 -0.432 0.000 3.657 186 R HA 0.245 4.726 4.340 0.235 0.000 0.220 186 R C 0.722 176.853 176.300 -0.282 0.000 1.548 186 R CA 0.525 56.401 56.100 -0.372 0.000 1.465 186 R CB 0.077 30.075 30.300 -0.504 0.000 1.330 186 R HN 0.314 nan 8.270 nan 0.000 0.707 187 G N -0.066 108.668 108.800 -0.109 0.000 2.255 187 G HA2 -0.234 3.867 3.960 0.235 0.000 0.196 187 G HA3 -0.234 3.867 3.960 0.235 0.000 0.196 187 G C 0.880 175.881 174.900 0.169 0.000 0.998 187 G CA -0.254 44.902 45.100 0.092 0.000 0.656 187 G HN 0.589 nan 8.290 nan 0.000 0.490 188 G N 0.427 109.153 108.800 -0.123 0.000 2.776 188 G HA2 0.498 4.599 3.960 0.235 0.000 0.209 188 G HA3 0.498 4.599 3.960 0.235 0.000 0.209 188 G C 1.588 176.451 174.900 -0.062 0.000 1.145 188 G CA 1.725 46.670 45.100 -0.258 0.000 0.791 188 G HN 2.098 nan 8.290 nan 0.000 0.530 189 G N -1.173 107.691 108.800 0.107 0.000 2.542 189 G HA2 0.281 4.382 3.960 0.235 0.000 0.235 189 G HA3 0.281 4.382 3.960 0.235 0.000 0.235 189 G C 0.505 175.431 174.900 0.043 0.000 1.286 189 G CA -0.166 44.897 45.100 -0.062 0.000 0.904 189 G HN 1.151 nan 8.290 nan 0.000 0.577 190 G N -1.967 106.806 108.800 -0.046 0.000 2.522 190 G HA2 0.694 4.795 3.960 0.235 0.000 0.304 190 G HA3 0.694 4.795 3.960 0.235 0.000 0.304 190 G C 1.340 176.221 174.900 -0.032 0.000 1.210 190 G CA 1.204 46.347 45.100 0.071 0.000 0.960 190 G HN 2.592 nan 8.290 nan 0.000 0.497 191 G N -1.603 107.205 108.800 0.014 0.000 2.176 191 G HA2 -0.262 3.839 3.960 0.235 0.000 0.232 191 G HA3 -0.262 3.839 3.960 0.235 0.000 0.232 191 G C 0.800 175.659 174.900 -0.068 0.000 0.986 191 G CA 0.718 45.805 45.100 -0.022 0.000 0.643 191 G HN 0.471 nan 8.290 nan 0.000 0.522 192 F N 1.051 121.051 119.950 0.083 0.000 2.446 192 F HA 0.649 5.314 4.527 0.229 0.000 0.292 192 F C 1.509 177.419 175.800 0.183 0.000 1.096 192 F CA 1.522 59.582 58.000 0.100 0.000 1.438 192 F CB 0.521 39.508 39.000 -0.022 0.000 1.107 192 F HN 0.691 nan 8.300 nan 0.000 0.546 193 A N -0.515 122.441 122.820 0.227 0.000 2.522 193 A HA 0.568 5.029 4.320 0.235 0.000 0.291 193 A C -1.652 175.757 177.584 -0.292 0.000 1.039 193 A CA -0.716 51.352 52.037 0.051 0.000 0.643 193 A CB 0.231 19.277 19.000 0.077 0.000 1.310 193 A HN -0.018 nan 8.150 nan 0.000 0.436 194 I N 1.431 121.773 120.570 -0.380 0.000 2.330 194 I HA 0.367 4.678 4.170 0.235 0.000 0.289 194 I C -0.502 175.494 176.117 -0.201 0.000 1.001 194 I CA -0.889 60.209 61.300 -0.338 0.000 1.193 194 I CB 1.655 39.412 38.000 -0.405 0.000 1.345 194 I HN 0.359 nan 8.210 nan 0.000 0.461 195 V N 5.548 125.338 119.914 -0.207 0.000 2.455 195 V HA 0.038 4.298 4.120 0.235 0.000 0.273 195 V C 1.061 176.980 176.094 -0.292 0.000 1.045 195 V CA 0.236 62.320 62.300 -0.360 0.000 0.976 195 V CB 1.297 32.649 31.823 -0.786 0.000 0.993 195 V HN 0.914 nan 8.190 nan 0.000 0.475 196 S N 3.351 118.906 115.700 -0.242 0.000 2.441 196 S HA 0.097 4.708 4.470 0.235 0.000 0.224 196 S C 0.578 175.100 174.600 -0.130 0.000 1.043 196 S CA 0.582 58.702 58.200 -0.134 0.000 0.948 196 S CB 0.125 63.276 63.200 -0.081 0.000 0.810 196 S HN 0.895 nan 8.310 nan 0.000 0.504 197 E N -0.876 119.189 120.200 -0.225 0.000 2.352 197 E HA 0.418 4.909 4.350 0.235 0.000 0.280 197 E C -1.872 174.583 176.600 -0.242 0.000 0.930 197 E CA -0.699 55.627 56.400 -0.122 0.000 0.765 197 E CB 0.926 30.619 29.700 -0.012 0.000 1.219 197 E HN 0.204 nan 8.360 nan 0.000 0.434 198 F N 1.577 121.575 119.950 0.079 0.000 2.458 198 F HA 0.411 5.078 4.527 0.233 0.000 0.330 198 F C 0.096 175.902 175.800 0.011 0.000 1.082 198 F CA -0.579 57.424 58.000 0.004 0.000 0.995 198 F CB 1.944 40.985 39.000 0.069 0.000 1.170 198 F HN 0.353 nan 8.300 nan 0.000 0.478 199 E N 2.613 122.859 120.200 0.077 0.000 2.182 199 E HA 0.388 4.879 4.350 0.235 0.000 0.258 199 E C -1.495 175.093 176.600 -0.019 0.000 0.879 199 E CA -0.451 56.003 56.400 0.089 0.000 0.754 199 E CB 1.490 31.240 29.700 0.083 0.000 1.162 199 E HN 0.313 nan 8.360 nan 0.000 0.419 200 F N 1.374 121.448 119.950 0.207 0.000 2.522 200 F HA 0.337 5.005 4.527 0.236 0.000 0.324 200 F C 0.680 176.602 175.800 0.204 0.000 1.077 200 F CA -0.686 57.444 58.000 0.216 0.000 0.944 200 F CB 1.576 40.682 39.000 0.176 0.000 1.175 200 F HN 0.304 nan 8.300 nan 0.000 0.468 201 N N -0.235 118.776 118.700 0.518 0.000 2.493 201 N HA 0.627 5.507 4.740 0.235 0.000 0.275 201 N C -0.841 174.965 175.510 0.493 0.000 1.186 201 N CA -0.300 53.017 53.050 0.446 0.000 0.978 201 N CB 1.199 39.952 38.487 0.444 0.000 1.184 201 N HN 0.712 nan 8.380 nan 0.000 0.487 202 T N -1.571 113.152 114.554 0.282 0.000 2.883 202 T HA 0.624 5.114 4.350 0.235 0.000 0.296 202 T C -0.977 173.660 174.700 -0.104 0.000 1.117 202 T CA -0.854 61.172 62.100 -0.123 0.000 1.006 202 T CB 0.862 69.587 68.868 -0.237 0.000 1.191 202 T HN 0.345 nan 8.240 nan 0.000 0.508 203 F N -0.845 118.822 119.950 -0.472 0.000 2.561 203 F HA 0.769 5.436 4.527 0.234 0.000 0.321 203 F C 0.094 175.675 175.800 -0.365 0.000 1.065 203 F CA -1.464 56.313 58.000 -0.372 0.000 0.934 203 F CB 1.137 39.783 39.000 -0.589 0.000 1.215 203 F HN 0.870 nan 8.300 nan 0.000 0.471 204 E N 1.903 122.080 120.200 -0.038 0.000 2.414 204 E HA 0.367 4.858 4.350 0.235 0.000 0.263 204 E C -0.163 176.343 176.600 -0.156 0.000 1.000 204 E CA -0.433 55.899 56.400 -0.113 0.000 0.914 204 E CB 0.886 30.567 29.700 -0.032 0.000 0.948 204 E HN 0.976 nan 8.360 nan 0.000 0.444 205 A N 6.648 129.290 122.820 -0.297 0.000 2.545 205 A HA 0.133 4.594 4.320 0.235 0.000 0.253 205 A C -1.997 175.512 177.584 -0.126 0.000 1.074 205 A CA -1.028 50.776 52.037 -0.388 0.000 0.760 205 A CB -0.285 18.560 19.000 -0.259 0.000 1.005 205 A HN 0.545 nan 8.150 nan 0.000 0.506 206 P HA -0.025 nan 4.420 nan 0.000 0.265 206 P C 0.433 177.777 177.300 0.074 0.000 1.193 206 P CA 0.178 63.326 63.100 0.080 0.000 0.765 206 P CB 0.582 32.398 31.700 0.194 0.000 0.823 207 E N 3.232 123.467 120.200 0.058 0.000 2.204 207 E HA -0.072 4.419 4.350 0.235 0.000 0.195 207 E C 0.735 177.367 176.600 0.053 0.000 0.990 207 E CA 0.676 57.104 56.400 0.047 0.000 0.821 207 E CB 0.083 29.803 29.700 0.034 0.000 0.750 207 E HN 0.431 nan 8.360 nan 0.000 0.477 208 I N 0.392 120.993 120.570 0.052 0.000 2.692 208 I HA 0.314 4.624 4.170 0.235 0.000 0.293 208 I C -1.769 174.349 176.117 0.002 0.000 1.200 208 I CA -1.050 60.272 61.300 0.036 0.000 1.036 208 I CB 1.892 39.913 38.000 0.035 0.000 1.258 208 I HN -0.032 nan 8.210 nan 0.000 0.421 209 I N 5.651 126.212 120.570 -0.015 0.000 2.582 209 I HA 0.355 4.665 4.170 0.235 0.000 0.292 209 I C -0.583 175.522 176.117 -0.019 0.000 1.066 209 I CA -0.393 60.853 61.300 -0.091 0.000 1.053 209 I CB 2.367 40.285 38.000 -0.137 0.000 1.241 209 I HN 0.491 nan 8.210 nan 0.000 0.421 210 T N 4.059 118.647 114.554 0.056 0.000 2.788 210 T HA 0.366 4.857 4.350 0.235 0.000 0.296 210 T C 0.352 175.125 174.700 0.122 0.000 1.009 210 T CA -0.507 61.658 62.100 0.109 0.000 0.949 210 T CB 0.999 69.996 68.868 0.214 0.000 0.946 210 T HN 0.711 nan 8.240 nan 0.000 0.453 211 T N 1.655 116.215 114.554 0.011 0.000 2.913 211 T HA 0.698 5.188 4.350 0.235 0.000 0.287 211 T C -0.526 174.193 174.700 0.031 0.000 1.008 211 T CA -0.658 61.411 62.100 -0.053 0.000 1.067 211 T CB 0.591 69.326 68.868 -0.222 0.000 0.996 211 T HN 0.658 nan 8.240 nan 0.000 0.513 212 Y N -1.000 119.253 120.300 -0.078 0.000 2.655 212 Y HA 0.735 5.426 4.550 0.234 0.000 0.336 212 Y C -1.102 174.762 175.900 -0.060 0.000 1.154 212 Y CA -1.378 56.680 58.100 -0.071 0.000 1.055 212 Y CB 1.693 40.122 38.460 -0.052 0.000 1.295 212 Y HN 0.874 nan 8.280 nan 0.000 0.465 213 Q N 1.764 121.593 119.800 0.050 0.000 2.327 213 Q HA 0.644 5.125 4.340 0.235 0.000 0.265 213 Q C -2.494 173.503 176.000 -0.006 0.000 0.993 213 Q CA -0.804 54.980 55.803 -0.032 0.000 0.885 213 Q CB 2.975 31.650 28.738 -0.105 0.000 1.379 213 Q HN 0.804 nan 8.270 nan 0.000 0.408 214 V N 2.849 122.718 119.914 -0.075 0.000 2.448 214 V HA 0.473 4.734 4.120 0.235 0.000 0.295 214 V C -0.361 175.429 176.094 -0.507 0.000 1.025 214 V CA -0.384 61.682 62.300 -0.389 0.000 0.859 214 V CB 1.924 33.269 31.823 -0.796 0.000 0.988 214 V HN 0.815 nan 8.190 nan 0.000 0.431 215 T N 3.850 118.138 114.554 -0.444 0.000 2.749 215 T HA 0.495 4.986 4.350 0.235 0.000 0.287 215 T C 0.285 174.672 174.700 -0.521 0.000 0.970 215 T CA -0.291 61.571 62.100 -0.397 0.000 0.980 215 T CB 1.106 69.824 68.868 -0.250 0.000 0.924 215 T HN 0.921 nan 8.240 nan 0.000 0.456 216 T N 0.141 114.313 114.554 -0.636 0.000 2.944 216 T HA 0.606 5.096 4.350 0.235 0.000 0.284 216 T C -0.070 174.350 174.700 -0.467 0.000 1.010 216 T CA -0.712 60.887 62.100 -0.836 0.000 1.025 216 T CB 1.423 69.238 68.868 -1.755 0.000 1.079 216 T HN 0.336 nan 8.240 nan 0.000 0.516 217 T N 2.360 116.725 114.554 -0.315 0.000 3.542 217 T HA 0.293 4.784 4.350 0.235 0.000 0.276 217 T C -1.262 173.584 174.700 0.243 0.000 1.412 217 T CA -0.536 61.558 62.100 -0.010 0.000 1.664 217 T CB -0.318 68.559 68.868 0.014 0.000 0.863 217 T HN 0.534 nan 8.240 nan 0.000 0.661 218 W N 3.590 124.980 121.300 0.149 0.000 2.469 218 W HA 0.479 5.279 4.660 0.234 0.000 0.320 218 W C 0.473 177.279 176.519 0.479 0.000 1.086 218 W CA -1.801 55.685 57.345 0.236 0.000 1.211 218 W CB 0.518 30.044 29.460 0.110 0.000 1.298 218 W HN 0.420 nan 8.180 nan 0.000 0.525 219 N N 0.913 119.943 118.700 0.550 0.000 2.495 219 N HA 0.275 5.156 4.740 0.235 0.000 0.294 219 N C 1.190 176.831 175.510 0.218 0.000 1.276 219 N CA -0.508 52.770 53.050 0.381 0.000 0.973 219 N CB 0.515 39.094 38.487 0.152 0.000 1.143 219 N HN 0.373 nan 8.380 nan 0.000 0.589 220 R N -0.092 120.121 120.500 -0.478 0.000 2.103 220 R HA -0.216 4.265 4.340 0.235 0.000 0.234 220 R C 1.788 178.000 176.300 -0.147 0.000 1.132 220 R CA 2.026 57.677 56.100 -0.748 0.000 0.925 220 R CB -0.396 29.355 30.300 -0.916 0.000 0.842 220 R HN 0.738 nan 8.270 nan 0.000 0.430 221 K N 0.217 120.550 120.400 -0.112 0.000 2.103 221 K HA -0.218 4.243 4.320 0.235 0.000 0.207 221 K C 2.083 178.665 176.600 -0.029 0.000 1.048 221 K CA 2.014 58.274 56.287 -0.044 0.000 0.930 221 K CB 0.010 32.482 32.500 -0.046 0.000 0.716 221 K HN 0.417 nan 8.250 nan 0.000 0.444 222 Q N -1.114 118.682 119.800 -0.006 0.000 2.230 222 Q HA -0.144 4.336 4.340 0.235 0.000 0.202 222 Q C 1.838 177.650 176.000 -0.314 0.000 0.963 222 Q CA 1.166 56.861 55.803 -0.180 0.000 0.866 222 Q CB -0.076 28.601 28.738 -0.102 0.000 0.931 222 Q HN 0.461 nan 8.270 nan 0.000 0.452 223 H N -0.058 119.011 119.070 -0.001 0.000 2.321 223 H HA -0.101 4.595 4.556 0.234 0.000 0.300 223 H C 2.096 177.436 175.328 0.020 0.000 1.087 223 H CA 1.542 57.711 56.048 0.202 0.000 1.319 223 H CB -0.151 29.899 29.762 0.480 0.000 1.379 223 H HN -0.025 nan 8.280 nan 0.000 0.501 224 V N 0.483 120.497 119.914 0.167 0.000 2.255 224 V HA -0.293 3.968 4.120 0.235 0.000 0.247 224 V C 2.575 178.659 176.094 -0.016 0.000 1.051 224 V CA 1.879 64.241 62.300 0.103 0.000 1.018 224 V CB -1.104 30.775 31.823 0.093 0.000 0.641 224 V HN 0.588 nan 8.190 nan 0.000 0.445 225 A N 0.315 123.070 122.820 -0.108 0.000 1.930 225 A HA -0.043 4.418 4.320 0.235 0.000 0.217 225 A C 2.389 179.830 177.584 -0.237 0.000 1.175 225 A CA 1.825 53.776 52.037 -0.143 0.000 0.627 225 A CB -1.124 17.781 19.000 -0.159 0.000 0.815 225 A HN 0.537 nan 8.150 nan 0.000 0.443 226 G N -0.064 108.428 108.800 -0.513 0.000 2.404 226 G HA2 -0.146 3.955 3.960 0.235 0.000 0.215 226 G HA3 -0.146 3.955 3.960 0.235 0.000 0.215 226 G C 1.539 176.311 174.900 -0.213 0.000 1.174 226 G CA 1.022 45.722 45.100 -0.666 0.000 0.780 226 G HN 0.426 nan 8.290 nan 0.000 0.537 227 L N -0.074 121.056 121.223 -0.155 0.000 2.083 227 L HA -0.032 4.449 4.340 0.235 0.000 0.209 227 L C 2.936 179.796 176.870 -0.018 0.000 1.083 227 L CA 1.161 55.912 54.840 -0.148 0.000 0.752 227 L CB -0.252 41.691 42.059 -0.193 0.000 0.899 227 L HN 0.159 nan 8.230 nan 0.000 0.433 228 K N -0.015 120.402 120.400 0.028 0.000 2.057 228 K HA -0.154 4.306 4.320 0.235 0.000 0.207 228 K C 2.269 178.937 176.600 0.112 0.000 1.049 228 K CA 1.408 57.752 56.287 0.096 0.000 0.931 228 K CB -0.279 32.264 32.500 0.072 0.000 0.714 228 K HN 0.293 nan 8.250 nan 0.000 0.440 229 A N 1.339 124.197 122.820 0.063 0.000 1.877 229 A HA -0.140 4.321 4.320 0.235 0.000 0.216 229 A C 2.119 179.803 177.584 0.167 0.000 1.186 229 A CA 1.263 53.356 52.037 0.093 0.000 0.620 229 A CB -0.697 18.327 19.000 0.041 0.000 0.822 229 A HN 0.171 nan 8.150 nan 0.000 0.443 230 L N -0.849 120.445 121.223 0.120 0.000 2.079 230 L HA -0.268 4.213 4.340 0.235 0.000 0.210 230 L C 2.909 180.075 176.870 0.493 0.000 1.081 230 L CA 1.880 56.856 54.840 0.226 0.000 0.752 230 L CB -0.453 41.630 42.059 0.040 0.000 0.896 230 L HN 0.617 nan 8.230 nan 0.000 0.433 231 Q N -0.052 119.990 119.800 0.403 0.000 2.046 231 Q HA -0.222 4.258 4.340 0.235 0.000 0.200 231 Q C 1.791 177.986 176.000 0.324 0.000 0.975 231 Q CA 1.729 57.846 55.803 0.524 0.000 0.836 231 Q CB 0.105 29.162 28.738 0.532 0.000 0.896 231 Q HN 0.441 nan 8.270 nan 0.000 0.428 232 D N -0.430 120.131 120.400 0.268 0.000 2.123 232 D HA -0.184 4.597 4.640 0.235 0.000 0.196 232 D C 1.385 177.820 176.300 0.225 0.000 0.992 232 D CA 1.003 55.122 54.000 0.198 0.000 0.833 232 D CB -0.385 40.519 40.800 0.173 0.000 0.954 232 D HN 0.434 nan 8.370 nan 0.000 0.455 233 W N 2.033 123.400 121.300 0.112 0.000 2.358 233 W HA -0.144 4.657 4.660 0.235 0.000 0.303 233 W C 2.412 179.009 176.519 0.129 0.000 1.208 233 W CA 2.279 59.687 57.345 0.105 0.000 1.274 233 W CB -0.347 29.172 29.460 0.098 0.000 1.138 233 W HN -0.053 nan 8.180 nan 0.000 0.515 234 A N -0.314 122.667 122.820 0.268 0.000 1.933 234 A HA -0.253 4.208 4.320 0.235 0.000 0.218 234 A C 1.880 179.393 177.584 -0.117 0.000 1.175 234 A CA 2.087 54.164 52.037 0.067 0.000 0.628 234 A CB -0.844 18.287 19.000 0.219 0.000 0.814 234 A HN 0.444 nan 8.150 nan 0.000 0.444 235 Q N -0.158 119.591 119.800 -0.086 0.000 2.212 235 Q HA 0.015 4.495 4.340 0.235 0.000 0.199 235 Q C 1.211 177.156 176.000 -0.090 0.000 0.950 235 Q CA 2.045 57.785 55.803 -0.105 0.000 0.863 235 Q CB -0.217 28.474 28.738 -0.079 0.000 0.944 235 Q HN 0.799 nan 8.270 nan 0.000 0.465 236 N N -2.455 116.198 118.700 -0.079 0.000 2.273 236 N HA 0.127 5.007 4.740 0.235 0.000 0.192 236 N C 0.617 176.057 175.510 -0.116 0.000 1.132 236 N CA 0.757 53.765 53.050 -0.069 0.000 0.887 236 N CB 0.879 39.359 38.487 -0.010 0.000 1.048 236 N HN 0.020 nan 8.380 nan 0.000 0.490 237 T N -0.025 114.378 114.554 -0.252 0.000 3.182 237 T HA 0.168 4.658 4.350 0.235 0.000 0.244 237 T C 0.589 174.971 174.700 -0.530 0.000 0.981 237 T CA -0.400 61.505 62.100 -0.325 0.000 1.182 237 T CB 0.205 68.936 68.868 -0.228 0.000 1.043 237 T HN 0.041 nan 8.240 nan 0.000 0.424 238 M N 3.813 122.714 119.600 -1.166 0.000 2.290 238 M HA -0.044 4.577 4.480 0.235 0.000 0.459 238 M C -2.538 173.540 176.300 -0.371 0.000 1.487 238 M CA -0.421 54.201 55.300 -1.129 0.000 0.793 238 M CB 0.147 31.991 32.600 -1.261 0.000 2.031 238 M HN -0.059 nan 8.290 nan 0.000 0.525 239 P HA 0.061 nan 4.420 nan 0.000 0.272 239 P C -0.260 177.118 177.300 0.129 0.000 1.223 239 P CA -0.238 62.881 63.100 0.031 0.000 0.784 239 P CB 0.627 32.419 31.700 0.154 0.000 0.923 240 R N 3.577 124.142 120.500 0.108 0.000 2.083 240 R HA -0.187 4.294 4.340 0.235 0.000 0.237 240 R C 1.537 177.889 176.300 0.087 0.000 1.137 240 R CA 1.905 58.059 56.100 0.091 0.000 0.951 240 R CB -0.961 29.290 30.300 -0.081 0.000 0.851 240 R HN 0.533 nan 8.270 nan 0.000 0.434 241 E N 0.475 120.681 120.200 0.008 0.000 2.438 241 E HA -0.063 4.427 4.350 0.235 0.000 0.192 241 E C -0.567 176.167 176.600 0.223 0.000 1.110 241 E CA 0.075 56.446 56.400 -0.049 0.000 0.893 241 E CB -0.290 29.283 29.700 -0.211 0.000 0.990 241 E HN 0.240 nan 8.360 nan 0.000 0.490 242 L N 1.380 122.772 121.223 0.281 0.000 2.381 242 L HA 0.354 4.835 4.340 0.235 0.000 0.274 242 L C -0.697 176.231 176.870 0.097 0.000 0.988 242 L CA -0.531 54.522 54.840 0.355 0.000 0.824 242 L CB 2.111 44.371 42.059 0.335 0.000 1.263 242 L HN 0.119 nan 8.230 nan 0.000 0.410 243 S N 5.126 120.991 115.700 0.275 0.000 2.621 243 S HA 0.930 5.541 4.470 0.235 0.000 0.302 243 S C -0.500 174.274 174.600 0.290 0.000 1.093 243 S CA -0.765 57.577 58.200 0.236 0.000 1.017 243 S CB 1.813 65.237 63.200 0.374 0.000 1.077 243 S HN 0.889 nan 8.310 nan 0.000 0.517 244 M N 1.538 121.275 119.600 0.228 0.000 2.523 244 M HA 0.473 5.093 4.480 0.235 0.000 0.287 244 M C -2.182 174.271 176.300 0.256 0.000 1.160 244 M CA -0.410 54.972 55.300 0.137 0.000 0.902 244 M CB 2.031 34.452 32.600 -0.297 0.000 1.752 244 M HN 1.136 nan 8.290 nan 0.000 0.504 245 R N 3.422 124.106 120.500 0.307 0.000 2.668 245 R HA 0.734 5.214 4.340 0.235 0.000 0.272 245 R C -2.196 174.312 176.300 0.348 0.000 1.019 245 R CA -1.032 55.331 56.100 0.438 0.000 0.894 245 R CB 1.509 32.005 30.300 0.327 0.000 1.228 245 R HN 0.703 nan 8.270 nan 0.000 0.460 246 L N 1.797 123.251 121.223 0.385 0.000 2.275 246 L HA 0.417 4.898 4.340 0.235 0.000 0.288 246 L C 0.092 177.131 176.870 0.281 0.000 1.046 246 L CA -0.650 54.367 54.840 0.295 0.000 0.805 246 L CB 1.586 43.764 42.059 0.198 0.000 1.193 246 L HN 0.723 nan 8.230 nan 0.000 0.426 247 E N 4.728 125.055 120.200 0.212 0.000 2.167 247 E HA 0.463 4.954 4.350 0.235 0.000 0.284 247 E C -1.184 175.530 176.600 0.190 0.000 1.016 247 E CA -0.425 56.066 56.400 0.152 0.000 0.817 247 E CB 0.934 30.665 29.700 0.051 0.000 1.080 247 E HN 0.479 nan 8.360 nan 0.000 0.397 248 I N 4.910 125.638 120.570 0.264 0.000 2.466 248 I HA 0.330 4.641 4.170 0.235 0.000 0.289 248 I C -0.507 175.718 176.117 0.180 0.000 1.026 248 I CA -0.860 60.625 61.300 0.309 0.000 1.078 248 I CB 1.665 39.984 38.000 0.531 0.000 1.249 248 I HN 0.588 nan 8.210 nan 0.000 0.429 249 N N 4.058 122.728 118.700 -0.050 0.000 3.278 249 N HA 0.561 5.442 4.740 0.235 0.000 0.307 249 N C 0.502 175.720 175.510 -0.486 0.000 1.551 249 N CA -0.459 52.189 53.050 -0.669 0.000 0.794 249 N CB 0.737 38.941 38.487 -0.472 0.000 1.770 249 N HN 0.401 nan 8.380 nan 0.000 0.612 250 A N -0.341 122.100 122.820 -0.633 0.000 1.948 250 A HA -0.180 4.281 4.320 0.235 0.000 0.220 250 A C 0.940 178.503 177.584 -0.033 0.000 1.177 250 A CA 2.007 54.037 52.037 -0.010 0.000 0.636 250 A CB -1.141 17.894 19.000 0.058 0.000 0.815 250 A HN 0.769 nan 8.150 nan 0.000 0.449 251 N N -1.699 116.960 118.700 -0.069 0.000 2.200 251 N HA 0.524 5.405 4.740 0.235 0.000 0.224 251 N C -0.289 175.225 175.510 0.007 0.000 1.179 251 N CA 0.553 53.588 53.050 -0.026 0.000 0.877 251 N CB 1.075 39.549 38.487 -0.022 0.000 1.072 251 N HN 0.535 nan 8.380 nan 0.000 0.519 252 A N 0.368 123.201 122.820 0.022 0.000 2.599 252 A HA 0.745 5.206 4.320 0.235 0.000 0.290 252 A C -2.026 175.612 177.584 0.091 0.000 1.101 252 A CA -0.588 51.468 52.037 0.032 0.000 0.674 252 A CB 1.205 20.187 19.000 -0.030 0.000 1.277 252 A HN 0.115 nan 8.150 nan 0.000 0.419 253 L N 1.586 122.819 121.223 0.017 0.000 2.555 253 L HA 0.501 4.981 4.340 0.235 0.000 0.264 253 L C -1.743 175.072 176.870 -0.091 0.000 0.972 253 L CA -0.468 54.392 54.840 0.033 0.000 0.876 253 L CB 1.387 43.445 42.059 -0.001 0.000 1.216 253 L HN 0.743 nan 8.230 nan 0.000 0.415 254 N N 3.566 122.276 118.700 0.017 0.000 2.314 254 N HA 0.507 5.388 4.740 0.235 0.000 0.304 254 N C -1.620 174.028 175.510 0.230 0.000 1.073 254 N CA -0.383 52.660 53.050 -0.011 0.000 0.822 254 N CB 1.723 40.182 38.487 -0.046 0.000 1.280 254 N HN 0.345 nan 8.380 nan 0.000 0.489 255 W N 1.112 122.356 121.300 -0.093 0.000 2.417 255 W HA 0.439 5.241 4.660 0.235 0.000 0.317 255 W C 0.592 177.084 176.519 -0.045 0.000 1.121 255 W CA -0.756 56.579 57.345 -0.018 0.000 1.208 255 W CB -0.042 29.421 29.460 0.006 0.000 1.253 255 W HN 0.523 nan 8.180 nan 0.000 0.533 256 E N 1.234 121.496 120.200 0.103 0.000 2.412 256 E HA 0.833 5.324 4.350 0.235 0.000 0.279 256 E C -0.324 175.997 176.600 -0.466 0.000 0.984 256 E CA -1.083 55.103 56.400 -0.357 0.000 0.788 256 E CB 2.236 31.853 29.700 -0.138 0.000 1.277 256 E HN 0.529 nan 8.360 nan 0.000 0.455 257 G N 0.848 109.007 108.800 -1.069 0.000 2.317 257 G HA2 0.280 4.381 3.960 0.235 0.000 0.293 257 G HA3 0.280 4.381 3.960 0.235 0.000 0.293 257 G C -1.795 172.805 174.900 -0.501 0.000 1.287 257 G CA -0.889 43.843 45.100 -0.613 0.000 0.850 257 G HN 0.423 nan 8.290 nan 0.000 0.515 258 N N -0.862 117.815 118.700 -0.037 0.000 2.335 258 N HA 0.771 5.652 4.740 0.235 0.000 0.304 258 N C -1.764 173.969 175.510 0.371 0.000 1.135 258 N CA -0.436 52.668 53.050 0.089 0.000 0.817 258 N CB 2.190 40.642 38.487 -0.059 0.000 1.294 258 N HN 0.458 nan 8.380 nan 0.000 0.497 259 F N 1.137 121.160 119.950 0.121 0.000 2.536 259 F HA 0.477 5.144 4.527 0.234 0.000 0.322 259 F C -1.044 174.810 175.800 0.091 0.000 1.144 259 F CA -1.212 56.892 58.000 0.173 0.000 0.924 259 F CB 0.619 39.696 39.000 0.129 0.000 1.181 259 F HN 0.381 nan 8.300 nan 0.000 0.438 260 F N 5.670 125.340 119.950 -0.467 0.000 2.661 260 F HA 0.526 5.194 4.527 0.235 0.000 0.356 260 F C 0.913 176.330 175.800 -0.638 0.000 1.244 260 F CA 0.489 58.270 58.000 -0.365 0.000 1.290 260 F CB -0.252 38.602 39.000 -0.244 0.000 1.677 260 F HN 0.666 nan 8.300 nan 0.000 0.649 261 G N 1.363 109.926 108.800 -0.395 0.000 2.341 261 G HA2 0.193 4.294 3.960 0.235 0.000 0.299 261 G HA3 0.193 4.294 3.960 0.235 0.000 0.299 261 G C -1.743 173.256 174.900 0.164 0.000 1.274 261 G CA -1.219 43.767 45.100 -0.190 0.000 0.853 261 G HN 0.352 nan 8.290 nan 0.000 0.493 262 N N -0.290 118.570 118.700 0.267 0.000 2.495 262 N HA 0.586 5.467 4.740 0.235 0.000 0.280 262 N C 1.330 176.974 175.510 0.223 0.000 1.168 262 N CA 0.394 53.570 53.050 0.210 0.000 0.978 262 N CB 1.839 40.402 38.487 0.126 0.000 1.191 262 N HN 0.918 nan 8.380 nan 0.000 0.497 263 A N 1.285 124.176 122.820 0.118 0.000 1.892 263 A HA -0.250 4.211 4.320 0.235 0.000 0.218 263 A C 1.834 179.419 177.584 0.001 0.000 1.188 263 A CA 1.573 53.639 52.037 0.049 0.000 0.631 263 A CB -0.822 18.193 19.000 0.024 0.000 0.822 263 A HN 0.804 nan 8.150 nan 0.000 0.447 264 K N -0.554 119.857 120.400 0.020 0.000 2.063 264 K HA -0.170 4.291 4.320 0.235 0.000 0.208 264 K C 1.582 178.174 176.600 -0.014 0.000 1.048 264 K CA 1.545 57.833 56.287 0.000 0.000 0.928 264 K CB -0.286 32.224 32.500 0.016 0.000 0.713 264 K HN 0.453 nan 8.250 nan 0.000 0.442 265 D N 0.866 121.286 120.400 0.032 0.000 2.144 265 D HA -0.131 4.650 4.640 0.235 0.000 0.200 265 D C 1.880 178.062 176.300 -0.197 0.000 0.978 265 D CA 0.703 54.716 54.000 0.022 0.000 0.833 265 D CB -0.144 40.783 40.800 0.211 0.000 0.961 265 D HN 0.018 nan 8.370 nan 0.000 0.470 266 L N 1.914 122.919 121.223 -0.363 0.000 2.017 266 L HA -0.187 4.294 4.340 0.235 0.000 0.208 266 L C 2.200 178.833 176.870 -0.395 0.000 1.073 266 L CA 1.850 56.264 54.840 -0.709 0.000 0.745 266 L CB -0.590 41.110 42.059 -0.598 0.000 0.894 266 L HN -0.004 nan 8.230 nan 0.000 0.432 267 K N -0.752 119.511 120.400 -0.228 0.000 2.103 267 K HA -0.209 4.251 4.320 0.235 0.000 0.207 267 K C 1.892 178.411 176.600 -0.135 0.000 1.048 267 K CA 1.706 57.895 56.287 -0.164 0.000 0.930 267 K CB -0.529 31.910 32.500 -0.103 0.000 0.716 267 K HN 0.310 nan 8.250 nan 0.000 0.444 268 K N 0.530 120.861 120.400 -0.115 0.000 2.283 268 K HA 0.002 4.462 4.320 0.235 0.000 0.202 268 K C 2.014 178.576 176.600 -0.063 0.000 1.048 268 K CA 1.115 57.361 56.287 -0.068 0.000 0.948 268 K CB -0.077 32.401 32.500 -0.037 0.000 0.742 268 K HN 0.269 nan 8.250 nan 0.000 0.458 269 I N 0.564 121.063 120.570 -0.119 0.000 2.585 269 I HA -0.170 4.141 4.170 0.235 0.000 0.254 269 I C 2.052 178.133 176.117 -0.061 0.000 1.129 269 I CA 0.660 61.926 61.300 -0.056 0.000 1.455 269 I CB -0.040 37.891 38.000 -0.115 0.000 1.111 269 I HN 0.041 nan 8.210 nan 0.000 0.433 270 L N 0.191 121.314 121.223 -0.167 0.000 2.109 270 L HA -0.183 4.298 4.340 0.235 0.000 0.207 270 L C 2.619 179.425 176.870 -0.108 0.000 1.086 270 L CA 1.310 56.046 54.840 -0.173 0.000 0.760 270 L CB -0.559 41.354 42.059 -0.243 0.000 0.910 270 L HN 0.306 nan 8.230 nan 0.000 0.437 271 Q N -0.041 119.703 119.800 -0.093 0.000 2.061 271 Q HA -0.201 4.279 4.340 0.235 0.000 0.204 271 Q C -0.337 175.643 176.000 -0.033 0.000 0.984 271 Q CA 1.716 57.480 55.803 -0.064 0.000 0.846 271 Q CB -1.095 27.610 28.738 -0.054 0.000 0.902 271 Q HN 0.436 nan 8.270 nan 0.000 0.421 272 P HA -0.156 nan 4.420 nan 0.000 0.216 272 P C 1.238 178.535 177.300 -0.006 0.000 1.153 272 P CA 0.920 64.026 63.100 0.010 0.000 0.848 272 P CB -0.011 31.716 31.700 0.046 0.000 0.787 273 I N -1.624 118.894 120.570 -0.086 0.000 2.353 273 I HA -0.125 4.186 4.170 0.235 0.000 0.248 273 I C 2.042 178.182 176.117 0.040 0.000 1.119 273 I CA 1.463 62.644 61.300 -0.199 0.000 1.417 273 I CB -0.693 36.800 38.000 -0.845 0.000 1.078 273 I HN -0.172 nan 8.210 nan 0.000 0.421 274 M N -0.172 119.487 119.600 0.099 0.000 2.149 274 M HA -0.237 4.384 4.480 0.235 0.000 0.261 274 M C 2.139 178.507 176.300 0.114 0.000 1.064 274 M CA 1.798 57.181 55.300 0.139 0.000 1.102 274 M CB -0.382 32.175 32.600 -0.073 0.000 1.369 274 M HN 0.120 nan 8.290 nan 0.000 0.408 275 K N 0.156 120.589 120.400 0.056 0.000 2.031 275 K HA -0.097 4.363 4.320 0.235 0.000 0.205 275 K C 1.971 178.606 176.600 0.058 0.000 1.049 275 K CA 1.111 57.427 56.287 0.048 0.000 0.939 275 K CB -0.129 32.387 32.500 0.026 0.000 0.717 275 K HN 0.258 nan 8.250 nan 0.000 0.438 276 K N 0.706 121.139 120.400 0.055 0.000 2.103 276 K HA -0.094 4.367 4.320 0.235 0.000 0.207 276 K C 1.868 178.499 176.600 0.052 0.000 1.048 276 K CA 1.238 57.556 56.287 0.052 0.000 0.930 276 K CB -0.083 32.451 32.500 0.056 0.000 0.716 276 K HN 0.120 nan 8.250 nan 0.000 0.444 277 A N 0.282 123.163 122.820 0.103 0.000 2.239 277 A HA 0.141 4.602 4.320 0.235 0.000 0.209 277 A C 1.135 178.728 177.584 0.014 0.000 1.171 277 A CA 0.865 52.967 52.037 0.108 0.000 0.768 277 A CB -0.427 18.823 19.000 0.417 0.000 0.790 277 A HN 0.430 nan 8.150 nan 0.000 0.478 278 G N -2.233 106.590 108.800 0.039 0.000 2.142 278 G HA2 0.209 4.310 3.960 0.235 0.000 0.225 278 G HA3 0.209 4.310 3.960 0.235 0.000 0.225 278 G C 1.401 176.356 174.900 0.091 0.000 1.015 278 G CA 0.445 45.549 45.100 0.007 0.000 0.716 278 G HN 2.121 nan 8.290 nan 0.000 0.508 279 G N 0.624 109.507 108.800 0.138 0.000 2.594 279 G HA2 -0.017 4.084 3.960 0.235 0.000 0.297 279 G HA3 -0.017 4.084 3.960 0.235 0.000 0.297 279 G C 0.737 175.788 174.900 0.252 0.000 1.273 279 G CA 0.821 46.002 45.100 0.134 0.000 0.974 279 G HN 1.655 nan 8.290 nan 0.000 0.552 280 K N -1.406 119.093 120.400 0.166 0.000 3.117 280 K HA -0.143 4.318 4.320 0.235 0.000 0.269 280 K C 0.456 177.094 176.600 0.063 0.000 1.098 280 K CA 1.924 58.328 56.287 0.195 0.000 0.785 280 K CB -2.249 30.497 32.500 0.410 0.000 1.242 280 K HN 2.186 nan 8.250 nan 0.000 0.491 281 S N -2.547 113.115 115.700 -0.062 0.000 2.615 281 S HA 0.748 5.358 4.470 0.235 0.000 0.269 281 S C -0.646 173.806 174.600 -0.246 0.000 1.161 281 S CA -0.082 57.955 58.200 -0.271 0.000 0.817 281 S CB 3.360 66.271 63.200 -0.482 0.000 1.131 281 S HN 0.219 nan 8.310 nan 0.000 0.467 282 T N 0.284 114.654 114.554 -0.307 0.000 2.840 282 T HA 0.519 5.010 4.350 0.235 0.000 0.317 282 T C -1.497 173.049 174.700 -0.258 0.000 1.401 282 T CA -0.792 61.166 62.100 -0.235 0.000 1.028 282 T CB 0.911 69.684 68.868 -0.160 0.000 1.317 282 T HN 0.710 nan 8.240 nan 0.000 0.495 283 I N 3.935 124.386 120.570 -0.198 0.000 2.436 283 I HA 0.171 4.482 4.170 0.235 0.000 0.289 283 I C 1.371 177.413 176.117 -0.126 0.000 1.083 283 I CA -0.046 61.160 61.300 -0.158 0.000 1.372 283 I CB 1.340 39.269 38.000 -0.120 0.000 1.408 283 I HN 0.755 nan 8.210 nan 0.000 0.516 284 S N 4.708 120.335 115.700 -0.123 0.000 2.511 284 S HA 0.247 4.857 4.470 0.235 0.000 0.214 284 S C 0.425 174.971 174.600 -0.090 0.000 0.997 284 S CA -0.272 57.863 58.200 -0.109 0.000 0.908 284 S CB 0.220 63.346 63.200 -0.124 0.000 0.803 284 S HN 0.590 nan 8.310 nan 0.000 0.504 285 K N 0.578 120.935 120.400 -0.071 0.000 2.535 285 K HA 0.591 5.052 4.320 0.235 0.000 0.251 285 K C -2.229 174.359 176.600 -0.020 0.000 0.942 285 K CA -0.557 55.689 56.287 -0.068 0.000 0.798 285 K CB 2.306 34.744 32.500 -0.103 0.000 1.267 285 K HN 0.101 nan 8.250 nan 0.000 0.434 286 L N 3.064 124.270 121.223 -0.029 0.000 2.727 286 L HA 0.375 4.856 4.340 0.235 0.000 0.255 286 L C -2.048 174.809 176.870 -0.022 0.000 0.983 286 L CA -0.500 54.340 54.840 -0.000 0.000 0.945 286 L CB 1.743 43.794 42.059 -0.014 0.000 1.242 286 L HN 0.423 nan 8.230 nan 0.000 0.449 287 V N 3.926 123.826 119.914 -0.024 0.000 2.808 287 V HA 0.603 4.863 4.120 0.235 0.000 0.308 287 V C -0.766 175.314 176.094 -0.024 0.000 1.099 287 V CA -0.238 62.039 62.300 -0.038 0.000 0.920 287 V CB 2.375 34.152 31.823 -0.076 0.000 1.014 287 V HN 0.722 nan 8.190 nan 0.000 0.425 288 E N 3.611 123.804 120.200 -0.012 0.000 2.259 288 E HA 0.569 5.060 4.350 0.235 0.000 0.281 288 E C -0.369 176.220 176.600 -0.018 0.000 1.027 288 E CA -0.137 56.264 56.400 0.002 0.000 0.838 288 E CB 1.987 31.698 29.700 0.018 0.000 1.066 288 E HN 0.800 nan 8.360 nan 0.000 0.401 289 T N 1.077 115.619 114.554 -0.021 0.000 2.612 289 T HA 0.209 4.700 4.350 0.235 0.000 0.296 289 T C -1.719 172.985 174.700 0.005 0.000 1.148 289 T CA -0.663 61.422 62.100 -0.025 0.000 1.077 289 T CB 1.181 70.004 68.868 -0.075 0.000 1.591 289 T HN 0.598 nan 8.240 nan 0.000 0.479 290 D N -0.783 119.635 120.400 0.029 0.000 2.553 290 D HA 0.209 4.990 4.640 0.235 0.000 0.249 290 D C 1.185 177.569 176.300 0.141 0.000 1.062 290 D CA -0.851 53.209 54.000 0.099 0.000 1.085 290 D CB 0.060 40.931 40.800 0.119 0.000 1.350 290 D HN 0.706 nan 8.370 nan 0.000 0.575 291 W N -0.291 121.003 121.300 -0.010 0.000 2.302 291 W HA -0.335 4.465 4.660 0.234 0.000 0.320 291 W C 1.794 178.323 176.519 0.017 0.000 1.241 291 W CA 1.529 58.869 57.345 -0.009 0.000 1.264 291 W CB -0.357 29.110 29.460 0.012 0.000 1.154 291 W HN 0.517 nan 8.180 nan 0.000 0.483 292 Y N 1.215 121.537 120.300 0.036 0.000 2.151 292 Y HA -0.196 4.495 4.550 0.234 0.000 0.284 292 Y C 2.480 178.286 175.900 -0.157 0.000 1.166 292 Y CA 2.653 60.706 58.100 -0.079 0.000 1.163 292 Y CB -1.001 37.444 38.460 -0.024 0.000 0.974 292 Y HN -0.077 nan 8.280 nan 0.000 0.511 293 G N -0.336 108.402 108.800 -0.103 0.000 2.421 293 G HA2 -0.333 3.768 3.960 0.235 0.000 0.216 293 G HA3 -0.333 3.768 3.960 0.235 0.000 0.216 293 G C 1.379 176.073 174.900 -0.343 0.000 1.171 293 G CA 1.045 46.010 45.100 -0.225 0.000 0.775 293 G HN 0.584 nan 8.290 nan 0.000 0.543 294 Q N 0.442 120.044 119.800 -0.330 0.000 2.124 294 Q HA 0.032 4.513 4.340 0.235 0.000 0.202 294 Q C 2.283 178.035 176.000 -0.414 0.000 0.977 294 Q CA 1.361 56.935 55.803 -0.381 0.000 0.850 294 Q CB -0.612 27.912 28.738 -0.357 0.000 0.901 294 Q HN 0.490 nan 8.270 nan 0.000 0.429 295 I N 0.934 121.207 120.570 -0.495 0.000 2.163 295 I HA -0.287 4.024 4.170 0.235 0.000 0.243 295 I C 1.052 176.941 176.117 -0.380 0.000 1.085 295 I CA 1.631 62.685 61.300 -0.410 0.000 1.347 295 I CB -0.420 37.320 38.000 -0.433 0.000 1.044 295 I HN 0.330 nan 8.210 nan 0.000 0.408 296 N N -0.171 118.227 118.700 -0.504 0.000 2.575 296 N HA -0.068 4.813 4.740 0.235 0.000 0.192 296 N C 1.137 176.351 175.510 -0.493 0.000 1.200 296 N CA 0.620 53.379 53.050 -0.485 0.000 0.897 296 N CB 0.041 38.188 38.487 -0.568 0.000 0.990 296 N HN 0.256 nan 8.380 nan 0.000 0.449 297 T N -1.167 113.013 114.554 -0.624 0.000 3.037 297 T HA 0.066 4.556 4.350 0.235 0.000 0.251 297 T C -0.173 173.861 174.700 -1.111 0.000 1.079 297 T CA 0.583 62.145 62.100 -0.897 0.000 1.067 297 T CB 0.059 68.208 68.868 -1.198 0.000 0.948 297 T HN 0.240 nan 8.240 nan 0.000 0.496 298 Y N 0.815 120.836 120.300 -0.465 0.000 2.578 298 Y HA 0.497 5.188 4.550 0.235 0.000 0.317 298 Y C 0.985 176.561 175.900 -0.540 0.000 0.940 298 Y CA -0.659 57.081 58.100 -0.600 0.000 1.174 298 Y CB -0.285 38.080 38.460 -0.159 0.000 1.198 298 Y HN 0.049 nan 8.280 nan 0.000 0.597 299 L N -1.413 119.541 121.223 -0.447 0.000 2.354 299 L HA 0.046 4.527 4.340 0.235 0.000 0.212 299 L C 0.157 176.970 176.870 -0.094 0.000 1.091 299 L CA 0.156 54.871 54.840 -0.207 0.000 0.828 299 L CB -0.162 41.785 42.059 -0.187 0.000 0.973 299 L HN 0.323 nan 8.230 nan 0.000 0.461 300 Y N 0.825 121.089 120.300 -0.060 0.000 3.168 300 Y HA -0.212 4.479 4.550 0.234 0.000 0.207 300 Y C 1.442 177.323 175.900 -0.032 0.000 1.280 300 Y CA 0.654 58.720 58.100 -0.058 0.000 1.235 300 Y CB -2.289 36.134 38.460 -0.063 0.000 1.370 300 Y HN 0.393 nan 8.280 nan 0.000 0.537 301 G N -2.097 106.716 108.800 0.022 0.000 2.199 301 G HA2 -0.056 4.044 3.960 0.235 0.000 0.254 301 G HA3 -0.056 4.044 3.960 0.235 0.000 0.254 301 G C 0.493 175.419 174.900 0.045 0.000 0.982 301 G CA -0.007 45.111 45.100 0.030 0.000 0.632 301 G HN 1.572 nan 8.290 nan 0.000 0.529 302 A N 0.346 123.200 122.820 0.056 0.000 2.371 302 A HA 0.538 4.999 4.320 0.235 0.000 0.257 302 A C 0.301 177.901 177.584 0.028 0.000 1.089 302 A CA 0.076 52.156 52.037 0.072 0.000 0.794 302 A CB 0.343 19.391 19.000 0.080 0.000 1.029 302 A HN 0.272 nan 8.150 nan 0.000 0.488 303 D N 0.854 121.285 120.400 0.052 0.000 2.382 303 D HA 0.116 4.897 4.640 0.235 0.000 0.245 303 D C 1.061 177.357 176.300 -0.007 0.000 1.120 303 D CA -0.198 53.816 54.000 0.023 0.000 0.890 303 D CB 1.275 42.102 40.800 0.045 0.000 1.201 303 D HN 0.384 nan 8.370 nan 0.000 0.433 304 L N 2.799 124.006 121.223 -0.027 0.000 2.095 304 L HA -0.008 4.473 4.340 0.235 0.000 0.204 304 L C 0.635 177.490 176.870 -0.026 0.000 1.080 304 L CA 1.389 56.203 54.840 -0.045 0.000 0.759 304 L CB -0.356 41.672 42.059 -0.053 0.000 0.914 304 L HN 0.225 nan 8.230 nan 0.000 0.439 305 N N 0.527 119.226 118.700 -0.002 0.000 2.767 305 N HA 0.282 5.163 4.740 0.235 0.000 0.238 305 N C -1.279 174.216 175.510 -0.025 0.000 1.083 305 N CA -0.089 52.973 53.050 0.020 0.000 0.964 305 N CB -0.235 38.278 38.487 0.043 0.000 1.252 305 N HN 0.208 nan 8.380 nan 0.000 0.512 306 I N 1.675 122.205 120.570 -0.066 0.000 2.404 306 I HA 0.331 4.641 4.170 0.235 0.000 0.293 306 I C 1.055 177.002 176.117 -0.283 0.000 0.992 306 I CA -0.468 60.747 61.300 -0.141 0.000 1.149 306 I CB 1.845 39.764 38.000 -0.135 0.000 1.315 306 I HN 0.459 nan 8.210 nan 0.000 0.446 307 T N 1.744 116.053 114.554 -0.408 0.000 2.638 307 T HA 0.092 4.583 4.350 0.235 0.000 0.169 307 T C 0.955 175.470 174.700 -0.308 0.000 0.790 307 T CA 0.083 61.806 62.100 -0.628 0.000 1.151 307 T CB -0.385 67.771 68.868 -1.186 0.000 2.581 307 T HN 0.528 nan 8.240 nan 0.000 0.391 308 Y N 0.518 120.723 120.300 -0.157 0.000 2.458 308 Y HA 0.539 5.230 4.550 0.234 0.000 0.256 308 Y C 0.344 176.291 175.900 0.078 0.000 1.159 308 Y CA -1.256 56.853 58.100 0.015 0.000 1.261 308 Y CB -0.922 37.587 38.460 0.082 0.000 1.119 308 Y HN 0.210 nan 8.280 nan 0.000 0.524 309 N N 1.244 119.857 118.700 -0.145 0.000 2.949 309 N HA 0.143 5.023 4.740 0.235 0.000 0.243 309 N C -1.953 173.633 175.510 0.126 0.000 1.113 309 N CA -0.389 52.674 53.050 0.021 0.000 0.980 309 N CB 0.212 38.638 38.487 -0.101 0.000 1.256 309 N HN 0.257 nan 8.380 nan 0.000 0.508 310 Y N 1.386 121.707 120.300 0.035 0.000 2.373 310 Y HA 0.282 4.973 4.550 0.235 0.000 0.336 310 Y C -1.052 174.895 175.900 0.078 0.000 0.979 310 Y CA -0.991 57.134 58.100 0.042 0.000 1.080 310 Y CB 1.284 39.765 38.460 0.034 0.000 1.190 310 Y HN 0.205 nan 8.280 nan 0.000 0.446 311 D N 5.258 125.441 120.400 -0.362 0.000 2.945 311 D HA 0.260 5.041 4.640 0.235 0.000 0.340 311 D C -1.681 174.419 176.300 -0.334 0.000 1.240 311 D CA 0.197 54.075 54.000 -0.203 0.000 0.749 311 D CB 0.496 41.319 40.800 0.039 0.000 1.217 311 D HN 0.254 nan 8.370 nan 0.000 0.514 312 V N 1.500 120.926 119.914 -0.815 0.000 2.667 312 V HA 0.602 4.863 4.120 0.235 0.000 0.308 312 V C -0.344 175.477 176.094 -0.455 0.000 1.048 312 V CA -0.495 61.556 62.300 -0.416 0.000 0.928 312 V CB 1.971 33.607 31.823 -0.312 0.000 1.004 312 V HN 0.320 nan 8.190 nan 0.000 0.444 313 H N 1.205 120.331 119.070 0.094 0.000 2.985 313 H HA 0.766 5.463 4.556 0.235 0.000 0.360 313 H C -0.901 174.270 175.328 -0.262 0.000 1.221 313 H CA -0.720 55.241 56.048 -0.145 0.000 1.121 313 H CB 1.977 31.672 29.762 -0.112 0.000 1.854 313 H HN 0.662 nan 8.280 nan 0.000 0.551 314 E N 0.091 120.010 120.200 -0.467 0.000 2.445 314 E HA 0.248 4.739 4.350 0.235 0.000 0.279 314 E C -1.722 174.672 176.600 -0.345 0.000 1.018 314 E CA -0.946 55.287 56.400 -0.277 0.000 0.816 314 E CB 3.121 32.712 29.700 -0.181 0.000 1.356 314 E HN 0.482 nan 8.360 nan 0.000 0.462 315 Y N 2.455 122.541 120.300 -0.356 0.000 2.349 315 Y HA 0.484 5.175 4.550 0.235 0.000 0.324 315 Y C -1.563 174.224 175.900 -0.188 0.000 1.005 315 Y CA -0.624 57.211 58.100 -0.442 0.000 1.240 315 Y CB 0.593 38.705 38.460 -0.581 0.000 1.117 315 Y HN 0.509 nan 8.280 nan 0.000 0.463 316 F N 3.500 123.092 119.950 -0.597 0.000 2.779 316 F HA 0.586 5.254 4.527 0.234 0.000 0.316 316 F C -2.555 172.855 175.800 -0.649 0.000 1.164 316 F CA -1.635 56.009 58.000 -0.593 0.000 0.924 316 F CB 1.240 39.808 39.000 -0.720 0.000 1.348 316 F HN 0.225 nan 8.300 nan 0.000 0.467 317 Y N 1.810 121.735 120.300 -0.624 0.000 2.338 317 Y HA 0.845 5.535 4.550 0.234 0.000 0.333 317 Y C -1.061 174.664 175.900 -0.291 0.000 0.968 317 Y CA -1.323 56.480 58.100 -0.495 0.000 1.123 317 Y CB 1.296 39.528 38.460 -0.380 0.000 1.165 317 Y HN 1.079 nan 8.280 nan 0.000 0.452 318 A N 5.086 127.446 122.820 -0.767 0.000 2.313 318 A HA 0.810 5.271 4.320 0.235 0.000 0.323 318 A C -1.127 176.092 177.584 -0.608 0.000 1.133 318 A CA -0.686 50.991 52.037 -0.600 0.000 0.847 318 A CB 1.459 20.289 19.000 -0.283 0.000 1.308 318 A HN 0.776 nan 8.150 nan 0.000 0.475 319 N N -1.498 117.077 118.700 -0.209 0.000 2.927 319 N HA 0.652 5.533 4.740 0.235 0.000 0.248 319 N C -1.133 174.546 175.510 0.282 0.000 1.443 319 N CA 0.439 53.454 53.050 -0.058 0.000 0.870 319 N CB 2.196 40.513 38.487 -0.283 0.000 1.444 319 N HN 1.077 nan 8.380 nan 0.000 0.519 320 S N -0.042 115.840 115.700 0.304 0.000 2.688 320 S HA 0.869 5.480 4.470 0.235 0.000 0.275 320 S C -1.697 173.100 174.600 0.329 0.000 1.175 320 S CA -0.671 57.810 58.200 0.470 0.000 0.818 320 S CB 2.136 65.659 63.200 0.538 0.000 1.157 320 S HN 0.622 nan 8.310 nan 0.000 0.482 321 L N 0.449 121.888 121.223 0.360 0.000 2.731 321 L HA 0.723 5.203 4.340 0.235 0.000 0.256 321 L C -1.150 175.877 176.870 0.261 0.000 0.947 321 L CA 0.258 55.240 54.840 0.237 0.000 0.914 321 L CB 1.865 44.026 42.059 0.170 0.000 1.470 321 L HN 1.266 nan 8.230 nan 0.000 0.421 322 T N 1.537 116.140 114.554 0.082 0.000 2.893 322 T HA 1.036 5.527 4.350 0.235 0.000 0.291 322 T C -0.548 174.245 174.700 0.155 0.000 1.028 322 T CA -0.019 62.067 62.100 -0.023 0.000 0.995 322 T CB 1.877 70.521 68.868 -0.374 0.000 1.051 322 T HN 1.607 nan 8.240 nan 0.000 0.470 323 A N 2.767 125.716 122.820 0.214 0.000 2.601 323 A HA 0.920 5.381 4.320 0.235 0.000 0.291 323 A C -3.146 174.550 177.584 0.187 0.000 1.075 323 A CA -1.522 50.668 52.037 0.254 0.000 0.671 323 A CB 1.105 20.355 19.000 0.416 0.000 1.277 323 A HN 0.695 nan 8.150 nan 0.000 0.417 324 P HA 0.303 nan 4.420 nan 0.000 0.306 324 P C -0.423 176.953 177.300 0.127 0.000 1.309 324 P CA -0.714 62.426 63.100 0.067 0.000 0.759 324 P CB 0.587 32.323 31.700 0.061 0.000 1.314 325 R N 0.225 120.756 120.500 0.050 0.000 2.619 325 R HA 0.062 4.542 4.340 0.235 0.000 0.268 325 R C -0.447 176.013 176.300 0.267 0.000 0.990 325 R CA 0.281 56.473 56.100 0.152 0.000 1.092 325 R CB -0.483 29.870 30.300 0.089 0.000 0.935 325 R HN 0.373 nan 8.270 nan 0.000 0.415 326 L N 3.069 124.531 121.223 0.398 0.000 2.360 326 L HA 0.301 4.782 4.340 0.235 0.000 0.271 326 L C 0.644 177.654 176.870 0.233 0.000 1.057 326 L CA -0.782 54.247 54.840 0.315 0.000 0.803 326 L CB 1.788 44.068 42.059 0.369 0.000 1.207 326 L HN 0.821 nan 8.230 nan 0.000 0.445 327 S N -0.864 114.941 115.700 0.175 0.000 2.693 327 S HA 0.181 4.792 4.470 0.235 0.000 0.276 327 S C 0.406 175.094 174.600 0.146 0.000 1.192 327 S CA -0.720 57.564 58.200 0.140 0.000 0.994 327 S CB 1.374 64.637 63.200 0.106 0.000 1.012 327 S HN 0.587 nan 8.310 nan 0.000 0.550 328 D N 0.616 121.090 120.400 0.123 0.000 2.182 328 D HA -0.124 4.657 4.640 0.235 0.000 0.201 328 D C 1.704 178.077 176.300 0.123 0.000 0.986 328 D CA 1.546 55.619 54.000 0.121 0.000 0.847 328 D CB -0.356 40.500 40.800 0.093 0.000 0.942 328 D HN 0.864 nan 8.370 nan 0.000 0.467 329 E N 0.612 120.875 120.200 0.105 0.000 2.051 329 E HA -0.200 4.291 4.350 0.235 0.000 0.192 329 E C 1.964 178.636 176.600 0.120 0.000 0.991 329 E CA 1.217 57.675 56.400 0.097 0.000 0.799 329 E CB -0.008 29.737 29.700 0.075 0.000 0.748 329 E HN 0.181 nan 8.360 nan 0.000 0.449 330 A N 1.210 124.106 122.820 0.128 0.000 1.858 330 A HA -0.151 4.310 4.320 0.235 0.000 0.216 330 A C 2.224 179.941 177.584 0.222 0.000 1.190 330 A CA 1.530 53.649 52.037 0.137 0.000 0.617 330 A CB -0.684 18.384 19.000 0.113 0.000 0.827 330 A HN 0.359 nan 8.150 nan 0.000 0.443 331 I N -0.841 119.882 120.570 0.255 0.000 2.226 331 I HA -0.269 4.042 4.170 0.235 0.000 0.245 331 I C 2.758 179.089 176.117 0.357 0.000 1.100 331 I CA 1.751 63.262 61.300 0.351 0.000 1.374 331 I CB -0.283 37.896 38.000 0.298 0.000 1.057 331 I HN 0.400 nan 8.210 nan 0.000 0.413 332 Q N 1.275 121.221 119.800 0.244 0.000 2.084 332 Q HA -0.148 4.332 4.340 0.235 0.000 0.202 332 Q C 2.147 178.273 176.000 0.209 0.000 0.978 332 Q CA 2.199 58.121 55.803 0.199 0.000 0.844 332 Q CB -0.252 28.564 28.738 0.130 0.000 0.898 332 Q HN 0.497 nan 8.270 nan 0.000 0.426 333 A N -0.608 122.335 122.820 0.206 0.000 1.897 333 A HA -0.089 4.372 4.320 0.235 0.000 0.215 333 A C 1.967 179.697 177.584 0.244 0.000 1.181 333 A CA 1.109 53.254 52.037 0.179 0.000 0.620 333 A CB -0.925 18.152 19.000 0.127 0.000 0.821 333 A HN 0.543 nan 8.150 nan 0.000 0.443 334 F N 0.904 120.973 119.950 0.199 0.000 2.069 334 F HA -0.190 4.478 4.527 0.235 0.000 0.298 334 F C 2.238 178.297 175.800 0.432 0.000 1.113 334 F CA 2.151 60.342 58.000 0.318 0.000 1.214 334 F CB -0.366 38.851 39.000 0.362 0.000 0.978 334 F HN 0.034 nan 8.300 nan 0.000 0.474 335 V N 0.693 120.909 119.914 0.505 0.000 2.295 335 V HA -0.319 3.942 4.120 0.235 0.000 0.246 335 V C 2.130 178.418 176.094 0.323 0.000 1.049 335 V CA 2.260 64.827 62.300 0.444 0.000 1.024 335 V CB -0.795 31.293 31.823 0.441 0.000 0.648 335 V HN 0.313 nan 8.190 nan 0.000 0.447 336 D N -1.156 119.372 120.400 0.213 0.000 2.149 336 D HA -0.216 4.564 4.640 0.235 0.000 0.198 336 D C 1.940 178.285 176.300 0.075 0.000 0.990 336 D CA 1.526 55.608 54.000 0.137 0.000 0.839 336 D CB -0.286 40.564 40.800 0.084 0.000 0.948 336 D HN 0.567 nan 8.370 nan 0.000 0.460 337 Y N 1.663 121.870 120.300 -0.155 0.000 2.181 337 Y HA -0.216 4.476 4.550 0.235 0.000 0.288 337 Y C 2.415 178.033 175.900 -0.471 0.000 1.146 337 Y CA 1.800 59.638 58.100 -0.436 0.000 1.164 337 Y CB 0.031 37.996 38.460 -0.826 0.000 0.982 337 Y HN -0.159 nan 8.280 nan 0.000 0.515 338 K N -0.754 119.552 120.400 -0.156 0.000 2.057 338 K HA -0.208 4.253 4.320 0.235 0.000 0.207 338 K C 1.817 178.413 176.600 -0.006 0.000 1.049 338 K CA 1.941 58.267 56.287 0.066 0.000 0.931 338 K CB -0.578 32.090 32.500 0.281 0.000 0.714 338 K HN 0.302 nan 8.250 nan 0.000 0.440 339 F N 1.320 121.265 119.950 -0.008 0.000 2.259 339 F HA -0.080 4.587 4.527 0.234 0.000 0.298 339 F C 1.585 177.350 175.800 -0.057 0.000 1.088 339 F CA 1.159 59.152 58.000 -0.012 0.000 1.358 339 F CB 0.260 39.244 39.000 -0.027 0.000 1.040 339 F HN 0.130 nan 8.300 nan 0.000 0.505 340 D N -1.711 118.705 120.400 0.027 0.000 2.449 340 D HA 0.073 4.853 4.640 0.235 0.000 0.210 340 D C 0.104 176.265 176.300 -0.232 0.000 1.094 340 D CA 0.395 54.350 54.000 -0.075 0.000 0.846 340 D CB -0.133 40.629 40.800 -0.063 0.000 1.003 340 D HN 0.280 nan 8.370 nan 0.000 0.504 341 N N -0.494 117.947 118.700 -0.430 0.000 2.451 341 N HA 0.019 4.899 4.740 0.235 0.000 0.271 341 N C 0.086 175.278 175.510 -0.531 0.000 1.410 341 N CA -0.014 52.664 53.050 -0.620 0.000 0.884 341 N CB 1.049 38.819 38.487 -1.195 0.000 1.332 341 N HN -0.121 nan 8.380 nan 0.000 0.498 342 S N -1.774 113.754 115.700 -0.287 0.000 2.664 342 S HA 0.267 4.878 4.470 0.235 0.000 0.245 342 S C 0.066 174.598 174.600 -0.114 0.000 1.019 342 S CA -0.570 57.515 58.200 -0.191 0.000 0.996 342 S CB 0.085 63.375 63.200 0.149 0.000 0.878 342 S HN -0.055 nan 8.310 nan 0.000 0.493 343 S N 2.506 118.092 115.700 -0.191 0.000 2.505 343 S HA 0.537 5.148 4.470 0.235 0.000 0.276 343 S C 0.126 174.614 174.600 -0.187 0.000 1.274 343 S CA -0.434 57.705 58.200 -0.101 0.000 1.053 343 S CB 1.008 64.151 63.200 -0.094 0.000 0.919 343 S HN 0.715 nan 8.310 nan 0.000 0.490 344 V N 2.122 122.001 119.914 -0.058 0.000 2.962 344 V HA 0.708 4.969 4.120 0.235 0.000 0.313 344 V C -0.104 175.991 176.094 0.002 0.000 1.099 344 V CA -1.697 60.565 62.300 -0.064 0.000 0.971 344 V CB 1.631 33.469 31.823 0.026 0.000 1.028 344 V HN 0.920 nan 8.190 nan 0.000 0.430 345 R N 2.508 123.002 120.500 -0.009 0.000 2.738 345 R HA 0.458 4.939 4.340 0.235 0.000 0.268 345 R C -2.329 174.003 176.300 0.052 0.000 1.062 345 R CA -1.032 55.074 56.100 0.009 0.000 1.158 345 R CB -0.130 30.166 30.300 -0.007 0.000 1.046 345 R HN 0.641 nan 8.270 nan 0.000 0.493 346 P HA 0.010 nan 4.420 nan 0.000 0.269 346 P C 0.379 177.741 177.300 0.102 0.000 1.209 346 P CA 0.828 63.975 63.100 0.078 0.000 0.776 346 P CB 0.919 32.648 31.700 0.048 0.000 0.876 347 G N 1.383 110.287 108.800 0.175 0.000 2.234 347 G HA2 -0.214 3.886 3.960 0.235 0.000 0.235 347 G HA3 -0.214 3.886 3.960 0.235 0.000 0.235 347 G C 0.271 175.315 174.900 0.240 0.000 0.997 347 G CA 0.019 45.248 45.100 0.214 0.000 0.623 347 G HN 0.795 nan 8.290 nan 0.000 0.514 348 R N 0.428 121.041 120.500 0.188 0.000 2.711 348 R HA 0.641 5.121 4.340 0.235 0.000 0.284 348 R C -0.005 176.412 176.300 0.196 0.000 0.968 348 R CA 0.167 56.328 56.100 0.101 0.000 0.924 348 R CB 1.527 31.889 30.300 0.103 0.000 1.162 348 R HN 0.662 nan 8.270 nan 0.000 0.465 349 G N 2.745 111.605 108.800 0.100 0.000 2.704 349 G HA2 0.556 4.657 3.960 0.235 0.000 0.293 349 G HA3 0.556 4.657 3.960 0.235 0.000 0.293 349 G C -1.972 173.158 174.900 0.383 0.000 1.421 349 G CA -0.729 44.562 45.100 0.318 0.000 0.870 349 G HN 0.652 nan 8.290 nan 0.000 0.492 350 W N 0.042 121.528 121.300 0.310 0.000 3.075 350 W HA 0.824 5.625 4.660 0.235 0.000 0.334 350 W C -1.667 175.045 176.519 0.322 0.000 1.243 350 W CA -1.816 55.675 57.345 0.243 0.000 1.170 350 W CB 1.073 30.778 29.460 0.409 0.000 1.452 350 W HN 0.927 nan 8.180 nan 0.000 0.572 351 W N 0.722 122.298 121.300 0.460 0.000 3.153 351 W HA 0.734 5.534 4.660 0.234 0.000 0.316 351 W C -2.445 174.253 176.519 0.298 0.000 1.255 351 W CA -1.434 56.020 57.345 0.183 0.000 1.192 351 W CB 0.435 29.878 29.460 -0.028 0.000 1.400 351 W HN 0.316 nan 8.180 nan 0.000 0.568 352 I N 1.721 122.636 120.570 0.575 0.000 2.582 352 I HA 0.226 4.537 4.170 0.235 0.000 0.292 352 I C -0.535 175.820 176.117 0.396 0.000 1.066 352 I CA -0.913 60.552 61.300 0.275 0.000 1.053 352 I CB 2.622 40.655 38.000 0.054 0.000 1.241 352 I HN 0.332 nan 8.210 nan 0.000 0.421 353 Q N 5.035 125.013 119.800 0.298 0.000 2.348 353 Q HA 0.235 4.716 4.340 0.235 0.000 0.265 353 Q C -1.370 174.747 176.000 0.195 0.000 0.998 353 Q CA -0.576 55.392 55.803 0.274 0.000 0.831 353 Q CB 2.359 31.245 28.738 0.247 0.000 1.251 353 Q HN 0.506 nan 8.270 nan 0.000 0.456 354 W N 5.319 126.626 121.300 0.011 0.000 2.317 354 W HA 0.227 5.029 4.660 0.236 0.000 0.327 354 W C -1.320 175.122 176.519 -0.129 0.000 1.036 354 W CA -0.610 56.568 57.345 -0.277 0.000 1.419 354 W CB 0.709 30.035 29.460 -0.223 0.000 1.253 354 W HN 0.588 nan 8.180 nan 0.000 0.392 355 D N 5.338 125.748 120.400 0.016 0.000 2.249 355 D HA 0.080 4.861 4.640 0.235 0.000 0.246 355 D C -0.366 176.216 176.300 0.469 0.000 1.114 355 D CA -0.255 53.923 54.000 0.297 0.000 0.854 355 D CB 1.059 41.905 40.800 0.076 0.000 1.132 355 D HN 0.084 nan 8.370 nan 0.000 0.461 356 F N 2.774 123.022 119.950 0.497 0.000 2.679 356 F HA 0.004 4.672 4.527 0.235 0.000 0.351 356 F C 1.903 177.948 175.800 0.407 0.000 1.279 356 F CA -0.196 58.110 58.000 0.510 0.000 1.227 356 F CB -0.389 38.860 39.000 0.415 0.000 1.623 356 F HN 0.472 nan 8.300 nan 0.000 0.666 357 H N 0.939 120.164 119.070 0.259 0.000 2.268 357 H HA 0.036 4.732 4.556 0.234 0.000 0.304 357 H C 1.432 176.818 175.328 0.097 0.000 1.064 357 H CA 1.447 57.594 56.048 0.164 0.000 1.316 357 H CB 0.041 29.737 29.762 -0.110 0.000 1.386 357 H HN 0.538 nan 8.280 nan 0.000 0.496 358 G N -1.439 107.386 108.800 0.043 0.000 2.940 358 G HA2 0.472 4.573 3.960 0.235 0.000 0.164 358 G HA3 0.472 4.573 3.960 0.235 0.000 0.164 358 G C -0.489 174.333 174.900 -0.131 0.000 1.326 358 G CA 0.026 45.077 45.100 -0.082 0.000 1.020 358 G HN 0.806 nan 8.290 nan 0.000 0.586 359 G N -1.580 107.130 108.800 -0.150 0.000 2.570 359 G HA2 -0.072 4.028 3.960 0.235 0.000 0.686 359 G HA3 -0.072 4.028 3.960 0.235 0.000 0.686 359 G C 0.609 175.429 174.900 -0.135 0.000 1.257 359 G CA 0.441 45.453 45.100 -0.148 0.000 0.846 359 G HN 0.703 nan 8.290 nan 0.000 0.627 360 K N -0.177 120.155 120.400 -0.113 0.000 2.074 360 K HA -0.146 4.314 4.320 0.235 0.000 0.209 360 K C 1.719 178.244 176.600 -0.125 0.000 1.048 360 K CA 1.896 58.122 56.287 -0.103 0.000 0.926 360 K CB -0.175 32.276 32.500 -0.081 0.000 0.713 360 K HN 0.436 nan 8.250 nan 0.000 0.444 361 N N 0.547 119.170 118.700 -0.128 0.000 2.336 361 N HA -0.047 4.834 4.740 0.235 0.000 0.189 361 N C -0.062 175.223 175.510 -0.376 0.000 1.113 361 N CA 0.142 53.105 53.050 -0.145 0.000 0.858 361 N CB 0.664 39.134 38.487 -0.028 0.000 0.970 361 N HN 0.034 nan 8.380 nan 0.000 0.471 362 S N 0.351 115.729 115.700 -0.537 0.000 2.474 362 S HA 0.415 5.026 4.470 0.235 0.000 0.276 362 S C 1.337 175.662 174.600 -0.458 0.000 1.227 362 S CA -0.498 57.187 58.200 -0.858 0.000 1.050 362 S CB 1.030 63.878 63.200 -0.586 0.000 0.939 362 S HN 0.310 nan 8.310 nan 0.000 0.490 363 A N 5.559 128.127 122.820 -0.420 0.000 1.978 363 A HA -0.055 4.406 4.320 0.235 0.000 0.220 363 A C 2.005 179.463 177.584 -0.209 0.000 1.170 363 A CA 1.578 53.458 52.037 -0.262 0.000 0.636 363 A CB -0.803 18.059 19.000 -0.231 0.000 0.810 363 A HN 0.966 nan 8.150 nan 0.000 0.448 364 L N -0.572 120.511 121.223 -0.232 0.000 2.012 364 L HA -0.180 4.301 4.340 0.235 0.000 0.210 364 L C 2.513 179.289 176.870 -0.157 0.000 1.073 364 L CA 1.810 56.527 54.840 -0.205 0.000 0.748 364 L CB -0.301 41.584 42.059 -0.291 0.000 0.891 364 L HN 0.344 nan 8.230 nan 0.000 0.431 365 A N -0.738 121.978 122.820 -0.172 0.000 2.239 365 A HA 0.152 4.613 4.320 0.235 0.000 0.209 365 A C 2.141 179.671 177.584 -0.091 0.000 1.171 365 A CA 0.934 52.907 52.037 -0.107 0.000 0.768 365 A CB -0.692 18.236 19.000 -0.119 0.000 0.790 365 A HN 0.578 nan 8.150 nan 0.000 0.478 366 A N -0.680 122.072 122.820 -0.112 0.000 2.206 366 A HA 0.400 4.861 4.320 0.235 0.000 0.211 366 A C 0.633 178.177 177.584 -0.068 0.000 1.158 366 A CA 0.495 52.475 52.037 -0.096 0.000 0.761 366 A CB -0.150 18.779 19.000 -0.118 0.000 0.801 366 A HN 0.272 nan 8.150 nan 0.000 0.473 367 V N 1.236 121.118 119.914 -0.053 0.000 2.513 367 V HA 0.420 4.681 4.120 0.235 0.000 0.299 367 V C 0.551 176.653 176.094 0.013 0.000 1.035 367 V CA -0.359 61.927 62.300 -0.024 0.000 0.889 367 V CB 1.511 33.315 31.823 -0.031 0.000 0.988 367 V HN 0.462 nan 8.190 nan 0.000 0.440 368 S N 2.609 118.326 115.700 0.028 0.000 2.632 368 S HA 0.211 4.821 4.470 0.235 0.000 0.267 368 S C 0.782 175.431 174.600 0.081 0.000 1.276 368 S CA -0.291 57.938 58.200 0.047 0.000 0.998 368 S CB 0.339 63.565 63.200 0.042 0.000 0.953 368 S HN 0.696 nan 8.310 nan 0.000 0.547 369 N N 0.465 119.214 118.700 0.081 0.000 2.443 369 N HA -0.099 4.782 4.740 0.235 0.000 0.184 369 N C 0.408 176.021 175.510 0.172 0.000 1.037 369 N CA 0.973 54.079 53.050 0.093 0.000 0.896 369 N CB -0.079 38.438 38.487 0.051 0.000 0.959 369 N HN 0.597 nan 8.380 nan 0.000 0.442 370 D N 0.508 121.014 120.400 0.176 0.000 2.305 370 D HA -0.048 4.733 4.640 0.235 0.000 0.206 370 D C 1.293 177.823 176.300 0.384 0.000 0.974 370 D CA 0.633 54.786 54.000 0.254 0.000 0.871 370 D CB 0.039 40.909 40.800 0.116 0.000 0.947 370 D HN 0.342 nan 8.370 nan 0.000 0.516 371 E N 0.092 120.446 120.200 0.257 0.000 2.150 371 E HA -0.049 4.442 4.350 0.235 0.000 0.193 371 E C 0.853 177.614 176.600 0.269 0.000 0.985 371 E CA 0.819 57.362 56.400 0.238 0.000 0.814 371 E CB 0.312 30.075 29.700 0.104 0.000 0.752 371 E HN 0.285 nan 8.360 nan 0.000 0.466 372 T N -4.862 109.732 114.554 0.067 0.000 2.812 372 T HA 0.566 5.057 4.350 0.235 0.000 0.294 372 T C 0.644 174.765 174.700 -0.965 0.000 1.159 372 T CA -0.387 61.425 62.100 -0.481 0.000 1.008 372 T CB 1.504 70.204 68.868 -0.280 0.000 1.289 372 T HN -0.122 nan 8.240 nan 0.000 0.514 373 A N -0.150 121.782 122.820 -1.479 0.000 2.121 373 A HA 0.141 4.602 4.320 0.235 0.000 0.218 373 A C 0.690 178.034 177.584 -0.400 0.000 1.154 373 A CA 0.474 51.696 52.037 -1.358 0.000 0.679 373 A CB -1.178 17.152 19.000 -1.116 0.000 0.795 373 A HN 0.789 nan 8.150 nan 0.000 0.458 374 Y N 0.470 120.589 120.300 -0.301 0.000 2.632 374 Y HA 0.211 4.902 4.550 0.235 0.000 0.329 374 Y C 1.024 176.880 175.900 -0.073 0.000 1.174 374 Y CA -0.283 57.779 58.100 -0.063 0.000 1.469 374 Y CB 0.515 38.967 38.460 -0.013 0.000 1.242 374 Y HN 0.133 nan 8.280 nan 0.000 0.540 375 A N 5.834 128.312 122.820 -0.571 0.000 2.574 375 A HA 0.201 4.661 4.320 0.235 0.000 0.283 375 A C 0.185 177.297 177.584 -0.786 0.000 1.270 375 A CA -0.221 51.500 52.037 -0.528 0.000 0.945 375 A CB -0.309 18.461 19.000 -0.384 0.000 1.127 375 A HN 0.897 nan 8.150 nan 0.000 0.522 376 H N -0.396 118.381 119.070 -0.489 0.000 2.567 376 H HA 0.186 4.885 4.556 0.237 0.000 0.267 376 H C 0.903 176.333 175.328 0.170 0.000 1.148 376 H CA -0.331 55.598 56.048 -0.198 0.000 1.031 376 H CB 0.355 29.911 29.762 -0.344 0.000 1.691 376 H HN 0.330 nan 8.280 nan 0.000 0.588 377 R N 1.161 121.801 120.500 0.233 0.000 2.193 377 R HA -0.082 4.399 4.340 0.235 0.000 0.229 377 R C 0.984 177.364 176.300 0.133 0.000 1.110 377 R CA 0.977 57.214 56.100 0.227 0.000 0.988 377 R CB -0.106 30.283 30.300 0.148 0.000 0.871 377 R HN 0.528 nan 8.270 nan 0.000 0.458 378 D N -0.095 120.366 120.400 0.102 0.000 2.339 378 D HA -0.048 4.733 4.640 0.235 0.000 0.217 378 D C -0.007 176.329 176.300 0.060 0.000 1.050 378 D CA 0.083 54.118 54.000 0.057 0.000 0.856 378 D CB 0.187 41.009 40.800 0.036 0.000 0.922 378 D HN -0.043 nan 8.370 nan 0.000 0.518 379 Q N 0.780 120.650 119.800 0.117 0.000 2.257 379 Q HA 0.201 4.682 4.340 0.235 0.000 0.255 379 Q C 0.832 176.865 176.000 0.055 0.000 0.920 379 Q CA -0.505 55.339 55.803 0.067 0.000 0.927 379 Q CB 2.677 31.434 28.738 0.032 0.000 1.229 379 Q HN 0.118 nan 8.270 nan 0.000 0.433 380 L N 2.185 123.321 121.223 -0.145 0.000 2.131 380 L HA 0.090 4.570 4.340 0.235 0.000 0.206 380 L C -0.254 176.315 176.870 -0.502 0.000 1.087 380 L CA 1.397 55.987 54.840 -0.416 0.000 0.767 380 L CB 0.253 41.849 42.059 -0.771 0.000 0.917 380 L HN 0.529 nan 8.230 nan 0.000 0.441 381 W N -0.681 120.466 121.300 -0.256 0.000 2.627 381 W HA 0.549 5.349 4.660 0.235 0.000 0.339 381 W C -0.904 175.135 176.519 -0.799 0.000 1.058 381 W CA -1.086 55.846 57.345 -0.688 0.000 1.223 381 W CB 1.411 30.093 29.460 -1.297 0.000 1.389 381 W HN -0.231 nan 8.180 nan 0.000 0.541 382 L N 2.634 123.473 121.223 -0.640 0.000 2.408 382 L HA 0.672 5.153 4.340 0.235 0.000 0.268 382 L C -1.605 174.930 176.870 -0.558 0.000 0.986 382 L CA -1.135 53.378 54.840 -0.544 0.000 0.820 382 L CB 1.438 43.108 42.059 -0.648 0.000 1.303 382 L HN 0.518 nan 8.230 nan 0.000 0.411 383 W N 3.746 124.939 121.300 -0.179 0.000 2.936 383 W HA 0.521 5.321 4.660 0.233 0.000 0.338 383 W C -0.965 175.515 176.519 -0.065 0.000 1.121 383 W CA -0.616 56.582 57.345 -0.245 0.000 1.209 383 W CB 2.286 31.483 29.460 -0.437 0.000 1.420 383 W HN 0.556 nan 8.180 nan 0.000 0.516 384 Q N 1.857 121.669 119.800 0.019 0.000 2.337 384 Q HA 0.507 4.988 4.340 0.235 0.000 0.270 384 Q C -1.894 173.940 176.000 -0.278 0.000 1.043 384 Q CA -0.436 55.342 55.803 -0.042 0.000 0.794 384 Q CB 1.720 30.308 28.738 -0.249 0.000 1.281 384 Q HN 0.347 nan 8.270 nan 0.000 0.446 385 F N 2.894 122.772 119.950 -0.120 0.000 2.467 385 F HA 0.429 5.096 4.527 0.234 0.000 0.336 385 F C -0.990 174.579 175.800 -0.386 0.000 1.123 385 F CA -0.740 57.108 58.000 -0.255 0.000 0.964 385 F CB 1.326 40.151 39.000 -0.292 0.000 1.136 385 F HN 0.492 nan 8.300 nan 0.000 0.447 386 Y N 2.412 122.325 120.300 -0.645 0.000 2.326 386 Y HA 0.322 5.012 4.550 0.234 0.000 0.329 386 Y C -1.077 174.555 175.900 -0.446 0.000 0.973 386 Y CA -1.041 56.553 58.100 -0.844 0.000 1.162 386 Y CB 1.194 38.470 38.460 -1.974 0.000 1.147 386 Y HN 0.498 nan 8.280 nan 0.000 0.456 387 D N 3.522 123.784 120.400 -0.230 0.000 2.414 387 D HA 0.412 5.193 4.640 0.235 0.000 0.232 387 D C -1.240 175.055 176.300 -0.008 0.000 1.070 387 D CA -0.184 53.868 54.000 0.086 0.000 0.839 387 D CB 1.047 42.009 40.800 0.270 0.000 1.079 387 D HN 0.436 nan 8.370 nan 0.000 0.521 388 S N 3.045 118.763 115.700 0.030 0.000 2.568 388 S HA 0.645 5.256 4.470 0.235 0.000 0.293 388 S C -0.380 174.112 174.600 -0.179 0.000 1.089 388 S CA -1.013 57.149 58.200 -0.064 0.000 0.945 388 S CB 1.511 64.688 63.200 -0.037 0.000 1.077 388 S HN 0.323 nan 8.310 nan 0.000 0.485 389 I N 3.099 123.648 120.570 -0.034 0.000 2.337 389 I HA 0.240 4.551 4.170 0.235 0.000 0.285 389 I C -0.137 176.041 176.117 0.102 0.000 1.041 389 I CA -0.658 60.656 61.300 0.023 0.000 1.199 389 I CB -0.051 38.031 38.000 0.137 0.000 1.370 389 I HN 0.734 nan 8.210 nan 0.000 0.470 390 Y N 3.503 123.944 120.300 0.234 0.000 2.220 390 Y HA -0.148 4.542 4.550 0.235 0.000 0.291 390 Y C 1.704 177.669 175.900 0.108 0.000 1.129 390 Y CA 0.893 59.120 58.100 0.211 0.000 1.161 390 Y CB -0.254 38.288 38.460 0.138 0.000 0.997 390 Y HN 0.548 nan 8.280 nan 0.000 0.522 391 D N -0.099 120.402 120.400 0.168 0.000 2.889 391 D HA -0.061 4.719 4.640 0.235 0.000 0.243 391 D C 0.956 177.171 176.300 -0.142 0.000 1.270 391 D CA -0.478 53.499 54.000 -0.038 0.000 0.838 391 D CB -1.195 39.603 40.800 -0.003 0.000 1.040 391 D HN 0.530 nan 8.370 nan 0.000 0.480 392 Y N -0.192 120.050 120.300 -0.098 0.000 2.274 392 Y HA -0.037 4.654 4.550 0.235 0.000 0.290 392 Y C 1.662 177.430 175.900 -0.220 0.000 1.145 392 Y CA 0.827 58.751 58.100 -0.293 0.000 1.203 392 Y CB -0.604 37.597 38.460 -0.431 0.000 0.984 392 Y HN 0.009 nan 8.280 nan 0.000 0.533 393 E N 0.245 120.074 120.200 -0.617 0.000 2.204 393 E HA -0.188 4.303 4.350 0.235 0.000 0.195 393 E C 1.480 177.972 176.600 -0.180 0.000 0.990 393 E CA 1.271 57.470 56.400 -0.335 0.000 0.821 393 E CB -0.159 29.302 29.700 -0.398 0.000 0.750 393 E HN 0.621 nan 8.360 nan 0.000 0.477 394 N N 0.055 118.650 118.700 -0.176 0.000 2.499 394 N HA -0.053 4.828 4.740 0.235 0.000 0.182 394 N C -0.390 175.066 175.510 -0.091 0.000 1.034 394 N CA 0.370 53.354 53.050 -0.109 0.000 0.882 394 N CB 0.588 39.020 38.487 -0.092 0.000 1.125 394 N HN -0.070 nan 8.380 nan 0.000 0.436 395 N N -1.562 117.077 118.700 -0.102 0.000 2.406 395 N HA 0.147 5.028 4.740 0.235 0.000 0.283 395 N C -0.449 174.986 175.510 -0.125 0.000 1.074 395 N CA -0.160 52.836 53.050 -0.090 0.000 0.916 395 N CB 1.373 39.825 38.487 -0.058 0.000 1.639 395 N HN 0.071 nan 8.380 nan 0.000 0.485 396 T N -0.985 113.476 114.554 -0.155 0.000 3.001 396 T HA 0.258 4.748 4.350 0.235 0.000 0.251 396 T C 0.260 174.947 174.700 -0.023 0.000 1.040 396 T CA -0.021 61.942 62.100 -0.229 0.000 0.985 396 T CB -0.241 68.377 68.868 -0.416 0.000 1.011 396 T HN 0.297 nan 8.240 nan 0.000 0.509 397 S N 4.205 119.883 115.700 -0.037 0.000 2.554 397 S HA 0.110 4.721 4.470 0.235 0.000 0.290 397 S C -1.134 173.428 174.600 -0.063 0.000 1.309 397 S CA -0.544 57.625 58.200 -0.053 0.000 1.047 397 S CB 0.820 63.982 63.200 -0.063 0.000 0.828 397 S HN 0.403 nan 8.310 nan 0.000 0.509 398 P HA -0.029 nan 4.420 nan 0.000 0.237 398 P C -0.285 176.799 177.300 -0.360 0.000 1.178 398 P CA 0.640 63.558 63.100 -0.303 0.000 0.766 398 P CB 0.048 31.503 31.700 -0.408 0.000 0.876 399 Y N 1.448 121.681 120.300 -0.112 0.000 2.314 399 Y HA 0.133 4.823 4.550 0.234 0.000 0.334 399 Y C -0.491 175.406 175.900 -0.004 0.000 1.266 399 Y CA -2.084 55.959 58.100 -0.095 0.000 1.391 399 Y CB -0.220 38.240 38.460 0.000 0.000 1.306 399 Y HN -0.123 nan 8.280 nan 0.000 0.558 400 P HA -0.044 nan 4.420 nan 0.000 0.231 400 P C 0.336 177.733 177.300 0.162 0.000 1.168 400 P CA 1.018 64.254 63.100 0.228 0.000 0.779 400 P CB 0.463 32.268 31.700 0.175 0.000 0.844 401 E N 1.217 121.453 120.200 0.059 0.000 2.048 401 E HA -0.131 4.359 4.350 0.235 0.000 0.202 401 E C 1.417 178.037 176.600 0.035 0.000 1.021 401 E CA 1.705 58.130 56.400 0.041 0.000 0.825 401 E CB -0.523 29.169 29.700 -0.013 0.000 0.756 401 E HN 0.451 nan 8.360 nan 0.000 0.454 402 S N -4.379 111.206 115.700 -0.192 0.000 2.880 402 S HA 0.707 5.318 4.470 0.235 0.000 0.308 402 S C 0.854 174.882 174.600 -0.955 0.000 1.195 402 S CA -0.369 57.642 58.200 -0.315 0.000 0.866 402 S CB 1.657 64.754 63.200 -0.173 0.000 1.254 402 S HN 0.497 nan 8.310 nan 0.000 0.571 403 G N -0.405 107.942 108.800 -0.754 0.000 2.428 403 G HA2 -0.158 3.943 3.960 0.235 0.000 0.199 403 G HA3 -0.158 3.943 3.960 0.235 0.000 0.199 403 G C 0.569 175.233 174.900 -0.394 0.000 1.005 403 G CA 0.152 44.717 45.100 -0.892 0.000 0.671 403 G HN 0.673 nan 8.290 nan 0.000 0.485 404 F N 2.929 122.780 119.950 -0.166 0.000 2.202 404 F HA -0.042 4.627 4.527 0.236 0.000 0.301 404 F C 2.783 178.600 175.800 0.029 0.000 1.082 404 F CA 1.768 59.657 58.000 -0.185 0.000 1.313 404 F CB -0.248 38.504 39.000 -0.413 0.000 1.024 404 F HN 0.422 nan 8.300 nan 0.000 0.495 405 E N 1.071 121.376 120.200 0.176 0.000 2.130 405 E HA -0.305 4.186 4.350 0.235 0.000 0.196 405 E C 2.137 178.870 176.600 0.221 0.000 0.998 405 E CA 1.484 57.973 56.400 0.150 0.000 0.806 405 E CB -1.473 28.281 29.700 0.090 0.000 0.738 405 E HN 0.396 nan 8.360 nan 0.000 0.459 406 F N 2.220 122.219 119.950 0.081 0.000 2.011 406 F HA -0.208 4.460 4.527 0.235 0.000 0.296 406 F C 2.385 178.300 175.800 0.191 0.000 1.144 406 F CA 1.818 59.890 58.000 0.121 0.000 1.185 406 F CB -0.599 38.438 39.000 0.062 0.000 0.961 406 F HN -0.086 nan 8.300 nan 0.000 0.485 407 M N 0.278 119.784 119.600 -0.158 0.000 2.296 407 M HA -0.166 4.455 4.480 0.235 0.000 0.265 407 M C 2.090 178.225 176.300 -0.276 0.000 1.064 407 M CA 1.331 56.436 55.300 -0.324 0.000 1.109 407 M CB -1.389 31.094 32.600 -0.195 0.000 1.396 407 M HN 0.411 nan 8.290 nan 0.000 0.430 408 Q N -0.818 118.951 119.800 -0.051 0.000 2.119 408 Q HA -0.071 4.410 4.340 0.235 0.000 0.201 408 Q C 2.123 177.993 176.000 -0.218 0.000 0.972 408 Q CA 1.443 57.182 55.803 -0.107 0.000 0.847 408 Q CB -0.363 28.390 28.738 0.024 0.000 0.903 408 Q HN 0.645 nan 8.270 nan 0.000 0.433 409 G N -0.221 108.472 108.800 -0.178 0.000 2.421 409 G HA2 -0.210 3.890 3.960 0.235 0.000 0.217 409 G HA3 -0.210 3.890 3.960 0.235 0.000 0.217 409 G C 1.140 175.510 174.900 -0.884 0.000 1.143 409 G CA 0.020 44.940 45.100 -0.300 0.000 0.784 409 G HN 0.262 nan 8.290 nan 0.000 0.541 410 F N 0.558 119.826 119.950 -1.137 0.000 2.146 410 F HA -0.104 4.564 4.527 0.234 0.000 0.298 410 F C 2.768 178.109 175.800 -0.765 0.000 1.096 410 F CA 0.668 57.937 58.000 -1.218 0.000 1.275 410 F CB 0.230 38.775 39.000 -0.758 0.000 1.008 410 F HN 0.001 nan 8.300 nan 0.000 0.480 411 V N -0.078 119.438 119.914 -0.663 0.000 2.358 411 V HA -0.313 3.948 4.120 0.235 0.000 0.246 411 V C 2.545 178.410 176.094 -0.381 0.000 1.047 411 V CA 1.660 63.541 62.300 -0.698 0.000 1.035 411 V CB -1.303 30.067 31.823 -0.755 0.000 0.658 411 V HN 0.414 nan 8.190 nan 0.000 0.452 412 A N 0.958 123.579 122.820 -0.332 0.000 1.978 412 A HA -0.264 4.197 4.320 0.235 0.000 0.220 412 A C 2.495 179.974 177.584 -0.174 0.000 1.170 412 A CA 2.535 54.440 52.037 -0.220 0.000 0.636 412 A CB -1.051 17.840 19.000 -0.182 0.000 0.810 412 A HN 0.681 nan 8.150 nan 0.000 0.448 413 T N -1.624 112.810 114.554 -0.200 0.000 2.759 413 T HA -0.134 4.357 4.350 0.235 0.000 0.269 413 T C 1.724 176.404 174.700 -0.034 0.000 1.042 413 T CA 1.762 63.813 62.100 -0.082 0.000 1.140 413 T CB -0.458 68.394 68.868 -0.026 0.000 0.864 413 T HN 0.422 nan 8.240 nan 0.000 0.455 414 I N 0.372 120.877 120.570 -0.108 0.000 2.810 414 I HA 0.143 4.454 4.170 0.235 0.000 0.262 414 I C 2.859 178.893 176.117 -0.138 0.000 1.131 414 I CA 0.602 61.806 61.300 -0.160 0.000 1.453 414 I CB -0.248 37.480 38.000 -0.454 0.000 1.161 414 I HN 0.245 nan 8.210 nan 0.000 0.444 415 E N 1.447 121.544 120.200 -0.171 0.000 2.118 415 E HA -0.271 4.220 4.350 0.235 0.000 0.195 415 E C 1.353 177.912 176.600 -0.068 0.000 0.992 415 E CA 1.527 57.857 56.400 -0.118 0.000 0.804 415 E CB 0.102 29.718 29.700 -0.141 0.000 0.741 415 E HN 0.358 nan 8.360 nan 0.000 0.458 416 D N -0.263 120.097 120.400 -0.067 0.000 2.263 416 D HA -0.128 4.653 4.640 0.235 0.000 0.208 416 D C 1.849 178.141 176.300 -0.014 0.000 0.971 416 D CA 1.614 55.591 54.000 -0.039 0.000 0.867 416 D CB -0.240 40.538 40.800 -0.037 0.000 0.929 416 D HN 0.346 nan 8.370 nan 0.000 0.492 417 T N -2.232 112.318 114.554 -0.007 0.000 3.107 417 T HA 0.159 4.650 4.350 0.235 0.000 0.249 417 T C 0.914 175.630 174.700 0.025 0.000 1.096 417 T CA -0.198 61.913 62.100 0.017 0.000 1.012 417 T CB -0.078 68.811 68.868 0.035 0.000 0.977 417 T HN -0.042 nan 8.240 nan 0.000 0.527 418 L N 1.281 122.513 121.223 0.016 0.000 2.360 418 L HA 0.551 5.032 4.340 0.235 0.000 0.271 418 L C -2.471 174.411 176.870 0.021 0.000 1.057 418 L CA -2.847 52.010 54.840 0.028 0.000 0.803 418 L CB 0.796 42.873 42.059 0.029 0.000 1.207 418 L HN -0.134 nan 8.230 nan 0.000 0.445 419 P HA 0.060 nan 4.420 nan 0.000 0.271 419 P C 0.327 177.638 177.300 0.019 0.000 1.216 419 P CA -0.292 62.822 63.100 0.023 0.000 0.776 419 P CB 0.688 32.404 31.700 0.028 0.000 0.881 420 E N 2.460 122.668 120.200 0.013 0.000 2.113 420 E HA -0.279 4.212 4.350 0.235 0.000 0.210 420 E C 1.324 177.933 176.600 0.015 0.000 1.040 420 E CA 1.942 58.348 56.400 0.010 0.000 0.847 420 E CB -0.477 29.228 29.700 0.009 0.000 0.755 420 E HN 0.655 nan 8.360 nan 0.000 0.459 421 D N -0.459 119.953 120.400 0.021 0.000 2.309 421 D HA -0.177 4.604 4.640 0.235 0.000 0.212 421 D C 1.355 177.673 176.300 0.030 0.000 0.968 421 D CA 0.620 54.635 54.000 0.025 0.000 0.882 421 D CB -0.095 40.720 40.800 0.026 0.000 0.918 421 D HN 0.017 nan 8.370 nan 0.000 0.503 422 R N 0.564 121.085 120.500 0.034 0.000 2.300 422 R HA 0.174 4.655 4.340 0.235 0.000 0.199 422 R C 0.454 176.787 176.300 0.054 0.000 0.920 422 R CA -0.046 56.082 56.100 0.047 0.000 1.046 422 R CB 0.044 30.375 30.300 0.051 0.000 0.984 422 R HN 0.262 nan 8.270 nan 0.000 0.493 423 K N 1.001 121.422 120.400 0.034 0.000 2.379 423 K HA 0.334 4.795 4.320 0.235 0.000 0.284 423 K C 0.465 177.084 176.600 0.032 0.000 1.044 423 K CA 0.168 56.467 56.287 0.019 0.000 0.974 423 K CB 1.075 33.569 32.500 -0.010 0.000 0.962 423 K HN 0.082 nan 8.250 nan 0.000 0.474 424 G N 2.036 110.857 108.800 0.035 0.000 2.708 424 G HA2 0.531 4.631 3.960 0.235 0.000 0.289 424 G HA3 0.531 4.631 3.960 0.235 0.000 0.289 424 G C -1.363 173.515 174.900 -0.036 0.000 1.416 424 G CA -0.632 44.504 45.100 0.060 0.000 0.829 424 G HN 0.387 nan 8.290 nan 0.000 0.480 425 K N -0.956 119.410 120.400 -0.057 0.000 2.536 425 K HA 0.332 4.793 4.320 0.235 0.000 0.269 425 K C -2.044 174.626 176.600 0.116 0.000 0.965 425 K CA -0.897 55.404 56.287 0.024 0.000 0.860 425 K CB 2.940 35.453 32.500 0.021 0.000 1.423 425 K HN 0.457 nan 8.250 nan 0.000 0.438 426 Y N 2.247 122.563 120.300 0.026 0.000 2.353 426 Y HA 0.140 4.830 4.550 0.233 0.000 0.340 426 Y C 0.620 176.491 175.900 -0.048 0.000 0.972 426 Y CA -1.337 56.725 58.100 -0.063 0.000 1.157 426 Y CB 0.263 38.613 38.460 -0.184 0.000 1.157 426 Y HN 0.710 nan 8.280 nan 0.000 0.495 427 F N 4.285 123.889 119.950 -0.577 0.000 2.154 427 F HA -0.277 4.393 4.527 0.238 0.000 0.301 427 F C 1.449 176.793 175.800 -0.760 0.000 1.087 427 F CA 2.003 59.348 58.000 -1.092 0.000 1.274 427 F CB -0.104 38.359 39.000 -0.894 0.000 1.009 427 F HN 0.560 nan 8.300 nan 0.000 0.485 428 N N -0.882 117.070 118.700 -1.248 0.000 2.453 428 N HA -0.156 4.725 4.740 0.235 0.000 0.183 428 N C -0.225 174.811 175.510 -0.790 0.000 1.041 428 N CA 0.777 53.149 53.050 -1.129 0.000 0.900 428 N CB -0.347 37.412 38.487 -1.214 0.000 0.961 428 N HN 0.273 nan 8.380 nan 0.000 0.443 429 Y N 0.316 120.277 120.300 -0.565 0.000 2.635 429 Y HA 0.510 5.202 4.550 0.236 0.000 0.373 429 Y C 0.171 176.108 175.900 0.061 0.000 1.000 429 Y CA -1.954 56.083 58.100 -0.105 0.000 1.219 429 Y CB -0.577 38.036 38.460 0.255 0.000 1.294 429 Y HN -0.162 nan 8.280 nan 0.000 0.612 430 A N 0.730 123.585 122.820 0.058 0.000 2.511 430 A HA 0.178 4.638 4.320 0.235 0.000 0.242 430 A C 0.093 177.874 177.584 0.328 0.000 1.069 430 A CA 0.037 52.192 52.037 0.197 0.000 0.763 430 A CB 0.085 19.180 19.000 0.159 0.000 1.001 430 A HN 0.449 nan 8.150 nan 0.000 0.498 431 D N 1.790 122.409 120.400 0.365 0.000 2.373 431 D HA 0.267 5.048 4.640 0.235 0.000 0.227 431 D C 1.340 177.820 176.300 0.301 0.000 1.091 431 D CA 0.286 54.440 54.000 0.257 0.000 0.840 431 D CB 0.910 41.815 40.800 0.174 0.000 1.060 431 D HN 0.483 nan 8.370 nan 0.000 0.502 432 T N -0.329 114.402 114.554 0.296 0.000 3.118 432 T HA -0.116 4.375 4.350 0.235 0.000 0.260 432 T C 1.521 176.270 174.700 0.082 0.000 1.139 432 T CA 1.147 63.376 62.100 0.215 0.000 1.085 432 T CB -0.431 68.522 68.868 0.142 0.000 0.934 432 T HN 0.402 nan 8.240 nan 0.000 0.518 433 T N -0.090 114.485 114.554 0.035 0.000 3.088 433 T HA 0.331 4.822 4.350 0.235 0.000 0.259 433 T C 0.747 175.414 174.700 -0.056 0.000 1.122 433 T CA -0.358 61.654 62.100 -0.147 0.000 1.095 433 T CB -0.545 68.165 68.868 -0.265 0.000 0.930 433 T HN 0.384 nan 8.240 nan 0.000 0.508 434 L N 2.965 124.202 121.223 0.024 0.000 2.452 434 L HA 0.351 4.832 4.340 0.235 0.000 0.267 434 L C 1.165 178.055 176.870 0.033 0.000 1.188 434 L CA -0.700 54.147 54.840 0.012 0.000 0.821 434 L CB 0.536 42.596 42.059 0.002 0.000 1.102 434 L HN 0.298 nan 8.230 nan 0.000 0.470 435 T N -1.975 112.588 114.554 0.014 0.000 2.899 435 T HA 0.154 4.645 4.350 0.235 0.000 0.284 435 T C 0.862 175.596 174.700 0.056 0.000 1.004 435 T CA -0.809 61.309 62.100 0.031 0.000 1.043 435 T CB 1.506 70.382 68.868 0.013 0.000 1.013 435 T HN 0.685 nan 8.240 nan 0.000 0.518 436 K N 0.671 121.114 120.400 0.072 0.000 2.113 436 K HA -0.191 4.269 4.320 0.235 0.000 0.208 436 K C 2.130 178.785 176.600 0.091 0.000 1.047 436 K CA 1.884 58.229 56.287 0.098 0.000 0.928 436 K CB -0.098 32.451 32.500 0.082 0.000 0.716 436 K HN 0.820 nan 8.250 nan 0.000 0.446 437 E N 0.635 120.869 120.200 0.058 0.000 2.107 437 E HA -0.206 4.285 4.350 0.235 0.000 0.191 437 E C 1.516 178.136 176.600 0.034 0.000 0.982 437 E CA 1.226 57.656 56.400 0.050 0.000 0.809 437 E CB -0.252 29.467 29.700 0.031 0.000 0.756 437 E HN 0.508 nan 8.360 nan 0.000 0.459 438 E N 1.465 121.668 120.200 0.005 0.000 2.047 438 E HA -0.076 4.415 4.350 0.235 0.000 0.191 438 E C 2.242 178.782 176.600 -0.100 0.000 0.987 438 E CA 1.097 57.472 56.400 -0.040 0.000 0.799 438 E CB -0.201 29.468 29.700 -0.052 0.000 0.752 438 E HN 0.374 nan 8.360 nan 0.000 0.449 439 A N 1.595 124.358 122.820 -0.094 0.000 1.883 439 A HA -0.299 4.162 4.320 0.235 0.000 0.217 439 A C 2.127 179.630 177.584 -0.134 0.000 1.186 439 A CA 1.701 53.585 52.037 -0.255 0.000 0.624 439 A CB -0.625 18.417 19.000 0.071 0.000 0.822 439 A HN 0.186 nan 8.150 nan 0.000 0.444 440 Q N -0.366 119.551 119.800 0.194 0.000 2.077 440 Q HA -0.218 4.262 4.340 0.235 0.000 0.206 440 Q C 2.140 178.329 176.000 0.314 0.000 0.989 440 Q CA 1.924 58.004 55.803 0.462 0.000 0.853 440 Q CB -0.239 28.704 28.738 0.343 0.000 0.907 440 Q HN 0.660 nan 8.270 nan 0.000 0.418 441 K N 0.316 120.790 120.400 0.122 0.000 2.097 441 K HA -0.089 4.372 4.320 0.235 0.000 0.205 441 K C 2.119 178.721 176.600 0.004 0.000 1.050 441 K CA 0.909 57.243 56.287 0.077 0.000 0.938 441 K CB -0.064 32.459 32.500 0.038 0.000 0.718 441 K HN 0.197 nan 8.250 nan 0.000 0.442 442 L N -0.322 120.825 121.223 -0.126 0.000 2.072 442 L HA -0.135 4.345 4.340 0.235 0.000 0.205 442 L C 2.205 178.975 176.870 -0.167 0.000 1.079 442 L CA 1.045 55.774 54.840 -0.185 0.000 0.752 442 L CB -0.392 41.470 42.059 -0.329 0.000 0.906 442 L HN 0.106 nan 8.230 nan 0.000 0.436 443 Y N -1.884 118.243 120.300 -0.288 0.000 2.337 443 Y HA -0.126 4.564 4.550 0.233 0.000 0.293 443 Y C 1.783 177.181 175.900 -0.836 0.000 1.123 443 Y CA 0.415 58.095 58.100 -0.700 0.000 1.201 443 Y CB -0.156 37.335 38.460 -1.615 0.000 1.011 443 Y HN 0.217 nan 8.280 nan 0.000 0.545 444 W N -0.642 120.755 121.300 0.162 0.000 2.714 444 W HA 0.256 5.059 4.660 0.237 0.000 0.353 444 W C 0.969 177.452 176.519 -0.062 0.000 0.999 444 W CA -0.494 56.852 57.345 0.003 0.000 1.629 444 W CB -0.181 29.305 29.460 0.044 0.000 1.106 444 W HN 0.034 nan 8.180 nan 0.000 0.545 445 R N 0.457 121.004 120.500 0.079 0.000 3.412 445 R HA -0.315 4.165 4.340 0.235 0.000 0.604 445 R C 1.947 178.292 176.300 0.075 0.000 0.243 445 R CA 2.500 58.623 56.100 0.039 0.000 1.522 445 R CB -1.715 28.554 30.300 -0.053 0.000 0.726 445 R HN 0.236 nan 8.270 nan 0.000 0.542 446 G N -0.099 108.722 108.800 0.036 0.000 2.471 446 G HA2 -0.187 3.914 3.960 0.235 0.000 0.219 446 G HA3 -0.187 3.914 3.960 0.235 0.000 0.219 446 G C 0.887 175.861 174.900 0.124 0.000 1.125 446 G CA 0.887 46.028 45.100 0.068 0.000 0.775 446 G HN 0.365 nan 8.290 nan 0.000 0.548 447 N N -0.042 118.757 118.700 0.165 0.000 2.336 447 N HA 0.057 4.937 4.740 0.235 0.000 0.189 447 N C 1.804 177.478 175.510 0.274 0.000 1.113 447 N CA -0.195 53.024 53.050 0.280 0.000 0.858 447 N CB 0.340 39.011 38.487 0.306 0.000 0.970 447 N HN 0.231 nan 8.380 nan 0.000 0.471 448 L N 1.974 123.343 121.223 0.243 0.000 1.978 448 L HA -0.207 4.274 4.340 0.235 0.000 0.218 448 L C 1.847 178.821 176.870 0.173 0.000 1.075 448 L CA 1.944 56.918 54.840 0.224 0.000 0.767 448 L CB -0.661 41.536 42.059 0.231 0.000 0.890 448 L HN 0.114 nan 8.230 nan 0.000 0.434 449 E N -0.680 119.621 120.200 0.168 0.000 2.097 449 E HA -0.318 4.173 4.350 0.235 0.000 0.196 449 E C 2.220 178.913 176.600 0.156 0.000 1.000 449 E CA 1.755 58.261 56.400 0.177 0.000 0.804 449 E CB -0.217 29.619 29.700 0.226 0.000 0.740 449 E HN 0.490 nan 8.360 nan 0.000 0.454 450 K N 0.827 121.297 120.400 0.117 0.000 2.097 450 K HA -0.121 4.340 4.320 0.235 0.000 0.205 450 K C 2.110 178.798 176.600 0.147 0.000 1.050 450 K CA 0.743 57.052 56.287 0.036 0.000 0.938 450 K CB 0.006 32.433 32.500 -0.123 0.000 0.718 450 K HN 0.074 nan 8.250 nan 0.000 0.442 451 L N 0.884 122.261 121.223 0.256 0.000 2.083 451 L HA -0.206 4.275 4.340 0.235 0.000 0.209 451 L C 2.559 179.591 176.870 0.270 0.000 1.083 451 L CA 1.347 56.352 54.840 0.275 0.000 0.752 451 L CB -0.320 41.810 42.059 0.119 0.000 0.899 451 L HN 0.306 nan 8.230 nan 0.000 0.433 452 Q N -0.502 119.395 119.800 0.161 0.000 2.119 452 Q HA -0.164 4.317 4.340 0.235 0.000 0.201 452 Q C 2.411 178.486 176.000 0.125 0.000 0.972 452 Q CA 1.446 57.315 55.803 0.110 0.000 0.847 452 Q CB -0.201 28.587 28.738 0.084 0.000 0.903 452 Q HN 0.567 nan 8.270 nan 0.000 0.433 453 A N 0.777 123.681 122.820 0.140 0.000 1.929 453 A HA -0.115 4.346 4.320 0.235 0.000 0.216 453 A C 1.995 179.659 177.584 0.135 0.000 1.176 453 A CA 0.868 52.976 52.037 0.118 0.000 0.628 453 A CB -0.425 18.632 19.000 0.094 0.000 0.816 453 A HN 0.269 nan 8.150 nan 0.000 0.444 454 I N -0.580 120.113 120.570 0.204 0.000 2.252 454 I HA -0.212 4.098 4.170 0.235 0.000 0.245 454 I C 2.475 178.854 176.117 0.436 0.000 1.102 454 I CA 1.731 63.219 61.300 0.314 0.000 1.385 454 I CB -0.166 38.021 38.000 0.311 0.000 1.064 454 I HN 0.297 nan 8.210 nan 0.000 0.414 455 K N 1.972 122.630 120.400 0.431 0.000 2.057 455 K HA -0.135 4.325 4.320 0.235 0.000 0.207 455 K C 2.048 178.712 176.600 0.107 0.000 1.049 455 K CA 1.783 58.202 56.287 0.219 0.000 0.931 455 K CB -0.362 32.081 32.500 -0.095 0.000 0.714 455 K HN 0.245 nan 8.250 nan 0.000 0.440 456 A N 0.940 123.808 122.820 0.080 0.000 1.933 456 A HA -0.196 4.265 4.320 0.235 0.000 0.218 456 A C 2.142 179.727 177.584 0.002 0.000 1.175 456 A CA 1.952 54.004 52.037 0.025 0.000 0.628 456 A CB -0.570 18.445 19.000 0.024 0.000 0.814 456 A HN 0.469 nan 8.150 nan 0.000 0.444 457 K N -2.086 118.316 120.400 0.005 0.000 2.116 457 K HA -0.093 4.368 4.320 0.235 0.000 0.203 457 K C 1.481 177.931 176.600 -0.250 0.000 1.052 457 K CA 1.357 57.551 56.287 -0.154 0.000 0.952 457 K CB -0.204 32.143 32.500 -0.254 0.000 0.729 457 K HN 0.518 nan 8.250 nan 0.000 0.446 458 Y N -0.448 119.898 120.300 0.078 0.000 2.509 458 Y HA 0.112 4.803 4.550 0.235 0.000 0.270 458 Y C 0.202 176.126 175.900 0.039 0.000 1.103 458 Y CA 0.198 58.350 58.100 0.087 0.000 1.278 458 Y CB 0.727 39.288 38.460 0.167 0.000 1.087 458 Y HN 0.063 nan 8.280 nan 0.000 0.542 459 D N -0.494 119.974 120.400 0.114 0.000 2.846 459 D HA 0.154 4.935 4.640 0.235 0.000 0.279 459 D C -2.241 174.020 176.300 -0.065 0.000 1.222 459 D CA -1.906 52.078 54.000 -0.026 0.000 0.769 459 D CB 0.715 41.484 40.800 -0.053 0.000 1.299 459 D HN -0.069 nan 8.370 nan 0.000 0.537 460 P HA -0.121 nan 4.420 nan 0.000 0.219 460 P C 0.421 177.677 177.300 -0.073 0.000 1.146 460 P CA 0.953 64.018 63.100 -0.058 0.000 0.808 460 P CB 0.443 32.111 31.700 -0.054 0.000 0.779 461 E N -0.304 119.839 120.200 -0.096 0.000 2.419 461 E HA 0.024 4.515 4.350 0.235 0.000 0.190 461 E C -0.150 176.378 176.600 -0.120 0.000 1.040 461 E CA -0.256 56.084 56.400 -0.100 0.000 0.900 461 E CB -0.633 29.005 29.700 -0.103 0.000 1.054 461 E HN 0.068 nan 8.360 nan 0.000 0.462 462 D N 0.614 120.938 120.400 -0.127 0.000 2.706 462 D HA -0.187 4.594 4.640 0.235 0.000 0.230 462 D C 0.687 176.898 176.300 -0.148 0.000 1.184 462 D CA 0.232 54.155 54.000 -0.128 0.000 0.628 462 D CB -0.952 39.794 40.800 -0.089 0.000 1.019 462 D HN 0.055 nan 8.370 nan 0.000 0.415 463 V N -0.140 119.619 119.914 -0.259 0.000 2.515 463 V HA -0.172 4.089 4.120 0.235 0.000 0.250 463 V C 1.842 177.832 176.094 -0.175 0.000 1.058 463 V CA 1.512 63.626 62.300 -0.312 0.000 1.064 463 V CB -0.449 31.049 31.823 -0.541 0.000 0.675 463 V HN 0.339 nan 8.190 nan 0.000 0.461 464 F N 0.782 120.712 119.950 -0.034 0.000 2.693 464 F HA 0.458 5.125 4.527 0.234 0.000 0.303 464 F C 1.574 177.372 175.800 -0.004 0.000 1.097 464 F CA -0.818 57.178 58.000 -0.007 0.000 1.330 464 F CB -1.078 37.916 39.000 -0.010 0.000 1.067 464 F HN 0.096 nan 8.300 nan 0.000 0.565 465 G N 0.937 109.808 108.800 0.117 0.000 2.544 465 G HA2 0.300 4.401 3.960 0.235 0.000 0.242 465 G HA3 0.300 4.401 3.960 0.235 0.000 0.242 465 G C -0.023 174.987 174.900 0.184 0.000 1.247 465 G CA -0.341 44.803 45.100 0.074 0.000 0.840 465 G HN 0.385 nan 8.290 nan 0.000 0.578 466 N N -1.907 116.877 118.700 0.140 0.000 2.906 466 N HA 0.356 5.237 4.740 0.235 0.000 0.327 466 N C 1.121 176.713 175.510 0.137 0.000 1.344 466 N CA -0.106 53.059 53.050 0.192 0.000 0.823 466 N CB 0.985 39.588 38.487 0.193 0.000 1.351 466 N HN 0.596 nan 8.380 nan 0.000 0.604 467 V N -2.818 117.187 119.914 0.151 0.000 3.078 467 V HA -0.009 4.252 4.120 0.235 0.000 0.265 467 V C 1.091 177.261 176.094 0.127 0.000 1.122 467 V CA 1.551 63.931 62.300 0.133 0.000 1.141 467 V CB -1.171 30.734 31.823 0.138 0.000 0.735 467 V HN 0.645 nan 8.190 nan 0.000 0.498 468 V N -2.253 117.722 119.914 0.102 0.000 3.382 468 V HA 0.436 4.697 4.120 0.235 0.000 0.296 468 V C 0.794 176.992 176.094 0.173 0.000 1.529 468 V CA 0.190 62.584 62.300 0.158 0.000 1.048 468 V CB -0.466 31.512 31.823 0.259 0.000 0.878 468 V HN 0.556 nan 8.190 nan 0.000 0.442 469 S N 0.566 116.286 115.700 0.034 0.000 2.593 469 S HA 0.547 5.158 4.470 0.235 0.000 0.269 469 S C 0.255 174.771 174.600 -0.140 0.000 1.334 469 S CA -0.294 57.856 58.200 -0.082 0.000 1.015 469 S CB 1.401 64.494 63.200 -0.178 0.000 0.912 469 S HN 0.403 nan 8.310 nan 0.000 0.541 470 V N 2.312 121.992 119.914 -0.390 0.000 2.720 470 V HA 0.006 4.267 4.120 0.235 0.000 0.307 470 V C 0.803 176.741 176.094 -0.261 0.000 1.071 470 V CA 0.574 62.660 62.300 -0.356 0.000 1.199 470 V CB -0.626 30.899 31.823 -0.496 0.000 0.900 470 V HN 0.864 nan 8.190 nan 0.000 0.494 471 E N 6.745 126.866 120.200 -0.131 0.000 2.250 471 E HA 0.333 4.824 4.350 0.235 0.000 0.269 471 E C -2.363 174.189 176.600 -0.080 0.000 1.018 471 E CA -2.063 54.279 56.400 -0.095 0.000 0.873 471 E CB 1.136 30.813 29.700 -0.038 0.000 1.134 471 E HN 0.488 nan 8.360 nan 0.000 0.403 472 P HA 0.164 nan 4.420 nan 0.000 0.268 472 P C -0.771 176.520 177.300 -0.015 0.000 1.541 472 P CA 0.494 63.570 63.100 -0.041 0.000 1.093 472 P CB -0.176 31.493 31.700 -0.051 0.000 1.551 473 I N 2.648 123.223 120.570 0.008 0.000 2.439 473 I HA 0.404 4.715 4.170 0.235 0.000 0.283 473 I C 0.459 176.603 176.117 0.045 0.000 1.023 473 I CA -1.039 60.271 61.300 0.017 0.000 1.100 473 I CB 2.108 40.118 38.000 0.017 0.000 1.238 473 I HN 0.196 nan 8.210 nan 0.000 0.445 474 A N 5.715 128.555 122.820 0.033 0.000 2.322 474 A HA 0.425 4.886 4.320 0.235 0.000 0.269 474 A C -0.675 176.957 177.584 0.079 0.000 1.094 474 A CA 0.017 52.091 52.037 0.061 0.000 0.807 474 A CB 0.419 19.438 19.000 0.032 0.000 1.047 474 A HN 0.617 nan 8.150 nan 0.000 0.487 475 Y N 0.000 120.296 120.300 -0.007 0.000 2.660 475 Y HA 0.000 4.538 4.550 -0.020 0.000 0.201 475 Y CA 0.000 58.095 58.100 -0.008 0.000 1.940 475 Y CB 0.000 38.452 38.460 -0.013 0.000 1.050 475 Y HN 0.000 nan 8.280 nan 0.000 0.758