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 1v8b_1_A DATA FIRST_RESID 4 DATA SEQUENCE NKSKVKDISL APFGKMQMEI SENEMPGLMR IREEYGKDQP LKNAKITGCL DATA SEQUENCE HMTVECALLI ETLQKLGAQI RWCSCNIYST ADYAAAAVST LENVTVFAWK DATA SEQUENCE NETLEEYWWC VESALTWGDG DDNGPDMIVD DGGDATLLVH KGVEYEKLYE DATA SEQUENCE EKNILPDPEK AKNEEERCFL TLLKNSILKN PKKWTNIAKK IIGVSEETTT DATA SEQUENCE GVLRLKKMDK QNELLFTAIN VNDAVTKQKY DNVYGCRHSL PDGLMRATDF DATA SEQUENCE LISGKIVVIC GYGDVGKGCA SSMKGLGARV YITEIDPICA IQAVMEGFNV DATA SEQUENCE VTLDEIVDKG DFFITCTGNV DVIKLEHLLK MKNNAVVGNI GHFDDEIQVN DATA SEQUENCE ELFNYKGIHI ENVKPQVDRI TLPNGNKIIV LARGRLLNLG CATGHPAFVM DATA SEQUENCE SFSFCNQTFA QLDLWQNKDT NKYENKVYLL PKHLDEKVAL YHLKKLNASL DATA SEQUENCE TELDDNQCQF LGVNKSGPFK SNEYRY 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 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.524 175.510 0.023 0.000 1.280 4 N CA 0.000 53.068 53.050 0.029 0.000 0.885 4 N CB 0.000 38.498 38.487 0.019 0.000 1.341 5 K N 0.705 121.151 120.400 0.077 0.000 2.334 5 K HA 0.539 4.859 4.320 -0.000 0.000 0.265 5 K C -0.604 176.012 176.600 0.026 0.000 1.039 5 K CA -0.307 56.017 56.287 0.060 0.000 0.920 5 K CB 0.734 33.297 32.500 0.106 0.000 1.160 5 K HN 0.007 nan 8.250 nan 0.000 0.451 6 S N 3.336 118.957 115.700 -0.131 0.000 2.584 6 S HA 0.106 4.576 4.470 -0.000 0.000 0.270 6 S C -0.474 174.086 174.600 -0.067 0.000 1.346 6 S CA -0.287 57.727 58.200 -0.310 0.000 1.018 6 S CB 0.435 63.480 63.200 -0.258 0.000 0.899 6 S HN 0.549 nan 8.310 nan 0.000 0.542 7 K N 2.108 122.509 120.400 0.002 0.000 2.559 7 K HA 0.527 4.847 4.320 -0.000 0.000 0.249 7 K C -1.108 175.636 176.600 0.239 0.000 0.958 7 K CA -0.486 55.931 56.287 0.217 0.000 0.901 7 K CB 0.626 33.463 32.500 0.560 0.000 1.124 7 K HN 0.489 nan 8.250 nan 0.000 0.437 8 V N 0.287 120.260 119.914 0.098 0.000 3.102 8 V HA 0.452 4.572 4.120 -0.000 0.000 0.312 8 V C 1.074 177.165 176.094 -0.006 0.000 1.135 8 V CA -1.047 61.330 62.300 0.128 0.000 1.022 8 V CB 1.852 33.727 31.823 0.088 0.000 1.056 8 V HN 0.593 nan 8.190 nan 0.000 0.436 9 K N 0.900 121.320 120.400 0.033 0.000 1.977 9 K HA -0.127 4.193 4.320 -0.000 0.000 0.218 9 K C 0.262 176.835 176.600 -0.045 0.000 1.051 9 K CA 2.627 58.882 56.287 -0.053 0.000 0.953 9 K CB -0.140 32.390 32.500 0.049 0.000 0.727 9 K HN 1.052 nan 8.250 nan 0.000 0.445 10 D N -0.571 119.832 120.400 0.005 0.000 2.602 10 D HA 0.110 4.750 4.640 -0.000 0.000 0.245 10 D C 0.191 176.506 176.300 0.025 0.000 1.325 10 D CA -0.310 53.692 54.000 0.004 0.000 0.952 10 D CB 0.872 41.676 40.800 0.006 0.000 1.317 10 D HN 0.004 nan 8.370 nan 0.000 0.577 11 I N 3.096 123.675 120.570 0.014 0.000 2.850 11 I HA -0.129 4.041 4.170 -0.000 0.000 0.266 11 I C 1.813 177.950 176.117 0.033 0.000 1.257 11 I CA 1.372 62.685 61.300 0.022 0.000 1.465 11 I CB -0.187 37.817 38.000 0.007 0.000 1.091 11 I HN 0.485 nan 8.210 nan 0.000 0.467 12 S N -0.780 114.938 115.700 0.030 0.000 2.522 12 S HA -0.012 4.458 4.470 -0.000 0.000 0.227 12 S C 1.704 176.340 174.600 0.061 0.000 0.986 12 S CA 0.423 58.644 58.200 0.035 0.000 0.929 12 S CB -0.680 62.533 63.200 0.021 0.000 0.769 12 S HN 0.502 nan 8.310 nan 0.000 0.529 13 L N 0.791 122.064 121.223 0.083 0.000 2.554 13 L HA 0.241 4.581 4.340 -0.000 0.000 0.226 13 L C 2.837 179.823 176.870 0.193 0.000 1.137 13 L CA 0.427 55.351 54.840 0.141 0.000 0.863 13 L CB -0.706 41.454 42.059 0.169 0.000 0.985 13 L HN 0.413 nan 8.230 nan 0.000 0.451 14 A N 1.787 124.683 122.820 0.127 0.000 1.903 14 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 14 A C 0.130 177.782 177.584 0.113 0.000 1.191 14 A CA 2.105 54.207 52.037 0.109 0.000 0.638 14 A CB -1.821 17.215 19.000 0.059 0.000 0.823 14 A HN 0.307 nan 8.150 nan 0.000 0.451 15 P HA -0.187 nan 4.420 nan 0.000 0.215 15 P C 1.599 178.957 177.300 0.095 0.000 1.153 15 P CA 1.333 64.481 63.100 0.080 0.000 0.853 15 P CB -0.268 31.474 31.700 0.070 0.000 0.788 16 F N 1.600 121.554 119.950 0.006 0.000 2.134 16 F HA -0.026 4.501 4.527 0.000 0.000 0.299 16 F C 2.382 178.169 175.800 -0.021 0.000 1.097 16 F CA 2.118 60.096 58.000 -0.038 0.000 1.264 16 F CB -1.003 37.954 39.000 -0.072 0.000 1.001 16 F HN -0.110 nan 8.300 nan 0.000 0.479 17 G N -0.244 108.695 108.800 0.231 0.000 2.408 17 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 17 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 17 G C 1.651 176.575 174.900 0.041 0.000 1.150 17 G CA 0.782 46.021 45.100 0.232 0.000 0.776 17 G HN 0.240 nan 8.290 nan 0.000 0.542 18 K N -0.456 119.954 120.400 0.016 0.000 2.063 18 K HA -0.006 4.314 4.320 -0.000 0.000 0.208 18 K C 2.343 178.901 176.600 -0.070 0.000 1.048 18 K CA 1.343 57.618 56.287 -0.020 0.000 0.928 18 K CB -0.312 32.182 32.500 -0.009 0.000 0.713 18 K HN 0.325 nan 8.250 nan 0.000 0.442 19 M N 0.615 120.137 119.600 -0.130 0.000 2.117 19 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 19 M C 1.658 177.839 176.300 -0.198 0.000 1.065 19 M CA 1.682 56.878 55.300 -0.174 0.000 1.114 19 M CB -0.178 32.276 32.600 -0.245 0.000 1.361 19 M HN 0.037 nan 8.290 nan 0.000 0.408 20 Q N -0.289 119.349 119.800 -0.270 0.000 2.084 20 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 20 Q C 2.206 178.163 176.000 -0.072 0.000 0.978 20 Q CA 2.059 57.744 55.803 -0.196 0.000 0.844 20 Q CB -0.575 28.055 28.738 -0.180 0.000 0.898 20 Q HN 0.633 nan 8.270 nan 0.000 0.426 21 M N 0.182 119.755 119.600 -0.044 0.000 2.117 21 M HA -0.177 4.303 4.480 -0.000 0.000 0.262 21 M C 2.138 178.419 176.300 -0.031 0.000 1.065 21 M CA 1.403 56.691 55.300 -0.021 0.000 1.114 21 M CB -0.281 32.307 32.600 -0.020 0.000 1.361 21 M HN 0.201 nan 8.290 nan 0.000 0.408 22 E N 1.118 121.291 120.200 -0.046 0.000 2.110 22 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 22 E C 1.813 178.391 176.600 -0.037 0.000 0.988 22 E CA 1.203 57.578 56.400 -0.042 0.000 0.804 22 E CB -0.016 29.655 29.700 -0.048 0.000 0.745 22 E HN 0.517 nan 8.360 nan 0.000 0.458 23 I N 0.419 120.962 120.570 -0.046 0.000 2.233 23 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 23 I C 2.356 178.466 176.117 -0.012 0.000 1.093 23 I CA 0.811 62.090 61.300 -0.034 0.000 1.380 23 I CB -0.178 37.791 38.000 -0.051 0.000 1.067 23 I HN 0.030 nan 8.210 nan 0.000 0.413 24 S N 0.157 115.854 115.700 -0.005 0.000 2.469 24 S HA -0.179 4.291 4.470 -0.000 0.000 0.238 24 S C 1.762 176.373 174.600 0.017 0.000 0.998 24 S CA 0.915 59.127 58.200 0.020 0.000 0.957 24 S CB -0.319 62.901 63.200 0.034 0.000 0.764 24 S HN 0.403 nan 8.310 nan 0.000 0.514 25 E N 1.445 121.644 120.200 -0.001 0.000 2.118 25 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 25 E C 1.487 178.083 176.600 -0.008 0.000 0.992 25 E CA 1.206 57.599 56.400 -0.012 0.000 0.804 25 E CB -0.164 29.523 29.700 -0.023 0.000 0.741 25 E HN 0.610 nan 8.360 nan 0.000 0.458 26 N N 0.236 118.938 118.700 0.004 0.000 2.396 26 N HA -0.098 4.642 4.740 -0.000 0.000 0.180 26 N C 1.103 176.649 175.510 0.060 0.000 1.028 26 N CA 0.525 53.585 53.050 0.017 0.000 0.893 26 N CB 0.215 38.710 38.487 0.014 0.000 0.967 26 N HN 0.046 nan 8.380 nan 0.000 0.440 27 E N 0.043 120.290 120.200 0.078 0.000 2.489 27 E HA 0.110 4.460 4.350 -0.000 0.000 0.193 27 E C 0.025 176.685 176.600 0.101 0.000 1.057 27 E CA 0.399 56.903 56.400 0.175 0.000 0.866 27 E CB 0.264 30.057 29.700 0.156 0.000 0.916 27 E HN 0.484 nan 8.360 nan 0.000 0.500 28 M N 1.582 121.176 119.600 -0.010 0.000 2.746 28 M HA 0.170 4.650 4.480 -0.000 0.000 0.209 28 M C -1.877 174.324 176.300 -0.165 0.000 1.077 28 M CA -1.405 53.828 55.300 -0.112 0.000 0.695 28 M CB 1.517 34.088 32.600 -0.048 0.000 1.416 28 M HN -0.225 nan 8.290 nan 0.000 0.459 29 P HA -0.109 nan 4.420 nan 0.000 0.220 29 P C 1.311 178.380 177.300 -0.385 0.000 1.148 29 P CA 1.462 64.398 63.100 -0.273 0.000 0.803 29 P CB 0.212 31.768 31.700 -0.240 0.000 0.782 30 G N 0.838 109.308 108.800 -0.550 0.000 2.414 30 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.215 30 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.215 30 G C 1.716 176.552 174.900 -0.107 0.000 1.188 30 G CA 0.351 45.269 45.100 -0.302 0.000 0.783 30 G HN 0.208 nan 8.290 nan 0.000 0.537 31 L N 0.123 121.286 121.223 -0.100 0.000 2.083 31 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 31 L C 3.063 179.880 176.870 -0.088 0.000 1.083 31 L CA 0.748 55.544 54.840 -0.075 0.000 0.752 31 L CB -0.264 41.773 42.059 -0.036 0.000 0.899 31 L HN 0.180 nan 8.230 nan 0.000 0.433 32 M N -1.075 118.460 119.600 -0.108 0.000 2.213 32 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 32 M C 2.262 178.489 176.300 -0.122 0.000 1.062 32 M CA 1.425 56.663 55.300 -0.102 0.000 1.105 32 M CB -1.180 31.359 32.600 -0.102 0.000 1.385 32 M HN 0.163 nan 8.290 nan 0.000 0.417 33 R N 0.370 120.754 120.500 -0.193 0.000 2.092 33 R HA -0.008 4.332 4.340 -0.000 0.000 0.231 33 R C 2.065 178.295 176.300 -0.117 0.000 1.119 33 R CA 0.965 56.897 56.100 -0.279 0.000 0.970 33 R CB -0.586 29.297 30.300 -0.695 0.000 0.864 33 R HN 0.340 nan 8.270 nan 0.000 0.440 34 I N 0.656 121.212 120.570 -0.022 0.000 2.226 34 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 34 I C 2.219 178.413 176.117 0.129 0.000 1.100 34 I CA 1.267 62.638 61.300 0.118 0.000 1.374 34 I CB -0.910 37.062 38.000 -0.047 0.000 1.057 34 I HN 0.119 nan 8.210 nan 0.000 0.413 35 R N 0.732 121.246 120.500 0.023 0.000 2.120 35 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 35 R C 2.069 178.380 176.300 0.019 0.000 1.123 35 R CA 1.211 57.322 56.100 0.018 0.000 0.975 35 R CB -0.218 30.068 30.300 -0.022 0.000 0.866 35 R HN 0.519 nan 8.270 nan 0.000 0.446 36 E N 0.146 120.341 120.200 -0.010 0.000 2.208 36 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 36 E C 1.629 178.211 176.600 -0.029 0.000 0.988 36 E CA 0.815 57.196 56.400 -0.030 0.000 0.828 36 E CB 0.198 29.858 29.700 -0.067 0.000 0.763 36 E HN 0.440 nan 8.360 nan 0.000 0.478 37 E N -0.031 120.165 120.200 -0.006 0.000 2.038 37 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 37 E C 0.772 177.269 176.600 -0.171 0.000 0.967 37 E CA 0.563 56.895 56.400 -0.115 0.000 0.816 37 E CB 0.073 29.677 29.700 -0.160 0.000 0.784 37 E HN 0.268 nan 8.360 nan 0.000 0.456 38 Y N 0.737 121.070 120.300 0.054 0.000 2.537 38 Y HA 0.241 4.791 4.550 -0.000 0.000 0.303 38 Y C 1.586 177.501 175.900 0.026 0.000 1.176 38 Y CA -0.025 58.110 58.100 0.057 0.000 1.273 38 Y CB -0.080 38.432 38.460 0.087 0.000 1.110 38 Y HN 0.081 nan 8.280 nan 0.000 0.518 39 G N 1.386 110.252 108.800 0.110 0.000 2.605 39 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 39 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 39 G C 1.742 176.668 174.900 0.043 0.000 1.279 39 G CA 0.394 45.530 45.100 0.061 0.000 0.831 39 G HN 0.303 nan 8.290 nan 0.000 0.560 40 K N 1.004 121.418 120.400 0.024 0.000 2.519 40 K HA -0.077 4.243 4.320 -0.000 0.000 0.196 40 K C 1.353 177.971 176.600 0.030 0.000 1.041 40 K CA 1.494 57.792 56.287 0.019 0.000 0.954 40 K CB -0.202 32.302 32.500 0.006 0.000 0.774 40 K HN 0.350 nan 8.250 nan 0.000 0.480 41 D N 1.167 121.595 120.400 0.047 0.000 2.194 41 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 41 D C -0.154 176.194 176.300 0.080 0.000 0.964 41 D CA 0.415 54.454 54.000 0.065 0.000 0.846 41 D CB 0.268 41.119 40.800 0.085 0.000 0.962 41 D HN 0.135 nan 8.370 nan 0.000 0.490 42 Q N -0.308 119.539 119.800 0.078 0.000 2.452 42 Q HA -0.161 4.179 4.340 -0.000 0.000 0.318 42 Q C -1.710 174.341 176.000 0.084 0.000 1.386 42 Q CA 0.706 56.545 55.803 0.060 0.000 0.872 42 Q CB -1.605 27.158 28.738 0.042 0.000 1.151 42 Q HN 0.457 nan 8.270 nan 0.000 0.417 43 P HA -0.118 nan 4.420 nan 0.000 0.223 43 P C 1.012 178.383 177.300 0.118 0.000 1.151 43 P CA 0.885 64.091 63.100 0.177 0.000 0.787 43 P CB 0.181 32.019 31.700 0.231 0.000 0.788 44 L N -1.206 119.968 121.223 -0.081 0.000 2.741 44 L HA 0.236 4.576 4.340 -0.000 0.000 0.237 44 L C 0.928 177.567 176.870 -0.385 0.000 1.178 44 L CA -0.627 53.951 54.840 -0.437 0.000 0.973 44 L CB -0.352 41.467 42.059 -0.400 0.000 1.255 44 L HN -0.179 nan 8.230 nan 0.000 0.498 45 K N 1.618 121.957 120.400 -0.102 0.000 2.491 45 K HA -0.064 4.256 4.320 -0.000 0.000 0.279 45 K C 0.801 177.387 176.600 -0.022 0.000 1.026 45 K CA 0.643 56.907 56.287 -0.038 0.000 1.070 45 K CB 0.026 32.556 32.500 0.050 0.000 0.887 45 K HN 0.148 nan 8.250 nan 0.000 0.481 46 N N 0.278 118.940 118.700 -0.063 0.000 2.965 46 N HA -0.207 4.533 4.740 -0.000 0.000 0.232 46 N C -0.959 174.461 175.510 -0.151 0.000 0.913 46 N CA 1.296 54.331 53.050 -0.025 0.000 0.981 46 N CB -1.622 36.931 38.487 0.110 0.000 1.077 46 N HN 0.612 nan 8.380 nan 0.000 0.589 47 A N 0.986 123.490 122.820 -0.528 0.000 2.401 47 A HA 0.428 4.748 4.320 -0.000 0.000 0.259 47 A C 0.441 177.732 177.584 -0.487 0.000 1.103 47 A CA 0.052 51.535 52.037 -0.924 0.000 0.789 47 A CB 0.549 18.507 19.000 -1.737 0.000 1.035 47 A HN 0.158 nan 8.150 nan 0.000 0.491 48 K N 2.683 122.803 120.400 -0.467 0.000 2.316 48 K HA 0.493 4.813 4.320 -0.000 0.000 0.267 48 K C -1.241 175.110 176.600 -0.414 0.000 1.025 48 K CA 0.150 56.028 56.287 -0.683 0.000 0.896 48 K CB 1.143 32.855 32.500 -1.313 0.000 1.124 48 K HN 0.627 nan 8.250 nan 0.000 0.451 49 I N 2.145 122.689 120.570 -0.044 0.000 2.378 49 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 49 I C -0.094 176.245 176.117 0.371 0.000 0.992 49 I CA -0.619 60.746 61.300 0.109 0.000 1.154 49 I CB 2.108 40.154 38.000 0.077 0.000 1.315 49 I HN 0.404 nan 8.210 nan 0.000 0.448 50 T N 4.508 119.206 114.554 0.239 0.000 2.771 50 T HA 0.576 4.926 4.350 -0.000 0.000 0.281 50 T C 0.133 174.692 174.700 -0.236 0.000 0.982 50 T CA -0.564 61.628 62.100 0.153 0.000 0.978 50 T CB 1.569 70.562 68.868 0.209 0.000 0.930 50 T HN 0.797 nan 8.240 nan 0.000 0.447 51 G N 0.135 108.517 108.800 -0.696 0.000 2.453 51 G HA2 0.531 4.491 3.960 -0.000 0.000 0.323 51 G HA3 0.531 4.491 3.960 -0.000 0.000 0.323 51 G C -1.026 173.030 174.900 -1.407 0.000 1.198 51 G CA -0.503 43.597 45.100 -1.667 0.000 0.959 51 G HN 0.805 nan 8.290 nan 0.000 0.482 52 C N 3.090 121.821 119.300 -0.949 0.000 3.287 52 C HA 0.751 5.211 4.460 -0.000 0.000 0.260 52 C C -0.718 174.064 174.990 -0.346 0.000 1.133 52 C CA -0.626 58.069 59.018 -0.537 0.000 1.402 52 C CB -1.826 25.732 27.740 -0.305 0.000 1.832 52 C HN 0.727 nan 8.230 nan 0.000 0.509 53 L N 4.732 125.826 121.223 -0.215 0.000 2.472 53 L HA 0.563 4.903 4.340 -0.000 0.000 0.260 53 L C -0.455 176.518 176.870 0.171 0.000 0.963 53 L CA -0.314 54.536 54.840 0.018 0.000 0.829 53 L CB 1.382 43.595 42.059 0.257 0.000 1.348 53 L HN 0.540 nan 8.230 nan 0.000 0.408 54 H N 4.304 123.491 119.070 0.195 0.000 3.221 54 H HA -0.123 4.433 4.556 -0.000 0.000 0.272 54 H C 0.141 175.579 175.328 0.184 0.000 0.865 54 H CA 0.520 56.661 56.048 0.155 0.000 1.419 54 H CB 0.283 30.110 29.762 0.109 0.000 1.377 54 H HN 0.462 nan 8.280 nan 0.000 0.535 55 M N 4.680 124.424 119.600 0.240 0.000 3.237 55 M HA 0.035 4.515 4.480 -0.000 0.000 0.266 55 M C 0.056 176.395 176.300 0.065 0.000 1.456 55 M CA -0.195 55.189 55.300 0.140 0.000 1.593 55 M CB -0.708 31.965 32.600 0.123 0.000 1.129 55 M HN 0.624 nan 8.290 nan 0.000 0.547 56 T N -1.509 113.095 114.554 0.083 0.000 2.919 56 T HA 0.490 4.840 4.350 -0.000 0.000 0.282 56 T C 1.072 175.797 174.700 0.042 0.000 1.020 56 T CA -0.916 61.216 62.100 0.054 0.000 0.994 56 T CB 0.811 69.747 68.868 0.114 0.000 1.180 56 T HN 0.098 nan 8.240 nan 0.000 0.566 57 V N 1.063 121.025 119.914 0.079 0.000 2.343 57 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 57 V C 2.729 178.879 176.094 0.094 0.000 1.051 57 V CA 2.123 64.484 62.300 0.101 0.000 1.036 57 V CB -1.159 30.765 31.823 0.170 0.000 0.654 57 V HN 0.862 nan 8.190 nan 0.000 0.451 58 E N -0.808 119.487 120.200 0.159 0.000 2.110 58 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 58 E C 2.172 178.959 176.600 0.312 0.000 0.988 58 E CA 1.500 58.061 56.400 0.269 0.000 0.804 58 E CB -0.790 29.101 29.700 0.319 0.000 0.745 58 E HN 0.646 nan 8.360 nan 0.000 0.458 59 C N 0.205 119.605 119.300 0.166 0.000 2.450 59 C HA 0.091 4.551 4.460 -0.000 0.000 0.279 59 C C 2.702 177.480 174.990 -0.355 0.000 1.335 59 C CA 0.892 59.807 59.018 -0.171 0.000 1.749 59 C CB -1.040 26.667 27.740 -0.055 0.000 1.963 59 C HN 0.483 nan 8.230 nan 0.000 0.501 60 A N 0.473 123.170 122.820 -0.205 0.000 1.902 60 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 60 A C 2.170 179.624 177.584 -0.217 0.000 1.181 60 A CA 1.768 53.668 52.037 -0.228 0.000 0.623 60 A CB -0.718 18.218 19.000 -0.108 0.000 0.818 60 A HN 0.660 nan 8.150 nan 0.000 0.443 61 L N -0.972 120.173 121.223 -0.130 0.000 2.201 61 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 61 L C 2.508 179.276 176.870 -0.169 0.000 1.105 61 L CA 0.910 55.689 54.840 -0.102 0.000 0.775 61 L CB -0.423 41.628 42.059 -0.014 0.000 0.913 61 L HN 0.518 nan 8.230 nan 0.000 0.440 62 L N -0.181 120.862 121.223 -0.300 0.000 2.072 62 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 62 L C 2.383 179.013 176.870 -0.400 0.000 1.079 62 L CA 1.639 56.228 54.840 -0.418 0.000 0.752 62 L CB -0.371 41.161 42.059 -0.879 0.000 0.906 62 L HN 0.010 nan 8.230 nan 0.000 0.436 63 I N 0.230 120.482 120.570 -0.531 0.000 2.127 63 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 63 I C 2.586 178.537 176.117 -0.278 0.000 1.075 63 I CA 1.823 62.817 61.300 -0.509 0.000 1.334 63 I CB -1.541 36.095 38.000 -0.608 0.000 1.040 63 I HN 0.528 nan 8.210 nan 0.000 0.405 64 E N 0.600 120.662 120.200 -0.229 0.000 2.118 64 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 64 E C 2.052 178.579 176.600 -0.121 0.000 0.992 64 E CA 1.953 58.265 56.400 -0.147 0.000 0.804 64 E CB 0.122 29.751 29.700 -0.119 0.000 0.741 64 E HN 0.452 nan 8.360 nan 0.000 0.458 65 T N 1.135 115.608 114.554 -0.135 0.000 2.737 65 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 65 T C 1.866 176.504 174.700 -0.104 0.000 1.038 65 T CA 1.087 63.122 62.100 -0.108 0.000 1.144 65 T CB -0.158 68.641 68.868 -0.115 0.000 0.866 65 T HN 0.151 nan 8.240 nan 0.000 0.434 66 L N 1.159 122.308 121.223 -0.125 0.000 2.046 66 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 66 L C 2.920 179.737 176.870 -0.088 0.000 1.077 66 L CA 1.591 56.369 54.840 -0.104 0.000 0.747 66 L CB -0.660 41.348 42.059 -0.084 0.000 0.896 66 L HN 0.382 nan 8.230 nan 0.000 0.432 67 Q N 0.432 120.181 119.800 -0.085 0.000 2.167 67 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 67 Q C 1.871 177.839 176.000 -0.054 0.000 0.970 67 Q CA 1.466 57.231 55.803 -0.063 0.000 0.855 67 Q CB -0.307 28.395 28.738 -0.059 0.000 0.911 67 Q HN 0.268 nan 8.270 nan 0.000 0.438 68 K N 0.078 120.445 120.400 -0.056 0.000 2.442 68 K HA 0.060 4.380 4.320 -0.000 0.000 0.198 68 K C 1.327 177.911 176.600 -0.026 0.000 1.042 68 K CA 0.690 56.954 56.287 -0.038 0.000 0.958 68 K CB 0.045 32.522 32.500 -0.039 0.000 0.766 68 K HN 0.306 nan 8.250 nan 0.000 0.474 69 L N -0.611 120.588 121.223 -0.039 0.000 2.592 69 L HA 0.101 4.441 4.340 -0.000 0.000 0.227 69 L C 1.010 177.854 176.870 -0.043 0.000 1.127 69 L CA 0.315 55.139 54.840 -0.027 0.000 0.884 69 L CB 0.276 42.307 42.059 -0.048 0.000 1.065 69 L HN 0.402 nan 8.230 nan 0.000 0.457 70 G N -0.118 108.651 108.800 -0.053 0.000 2.163 70 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.213 70 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.213 70 G C 0.245 175.086 174.900 -0.099 0.000 0.991 70 G CA -0.069 44.997 45.100 -0.057 0.000 0.653 70 G HN 0.436 nan 8.290 nan 0.000 0.518 71 A N -0.359 122.387 122.820 -0.122 0.000 2.279 71 A HA 0.828 5.148 4.320 -0.000 0.000 0.303 71 A C 0.251 177.809 177.584 -0.043 0.000 1.108 71 A CA -0.209 51.738 52.037 -0.149 0.000 0.830 71 A CB 0.686 19.567 19.000 -0.199 0.000 1.106 71 A HN 0.432 nan 8.150 nan 0.000 0.493 72 Q N -0.280 119.522 119.800 0.004 0.000 2.245 72 Q HA 0.627 4.967 4.340 -0.000 0.000 0.256 72 Q C -1.538 174.666 176.000 0.339 0.000 0.942 72 Q CA -0.228 55.678 55.803 0.170 0.000 0.896 72 Q CB 1.938 30.832 28.738 0.260 0.000 1.272 72 Q HN 0.587 nan 8.270 nan 0.000 0.442 73 I N 1.316 122.079 120.570 0.323 0.000 2.647 73 I HA 0.424 4.594 4.170 -0.000 0.000 0.295 73 I C -0.689 175.528 176.117 0.166 0.000 1.078 73 I CA -0.414 61.092 61.300 0.344 0.000 1.048 73 I CB 2.119 40.259 38.000 0.234 0.000 1.239 73 I HN 0.375 nan 8.210 nan 0.000 0.421 74 R N 4.366 124.958 120.500 0.154 0.000 2.561 74 R HA 0.509 4.849 4.340 -0.000 0.000 0.297 74 R C -1.747 174.676 176.300 0.206 0.000 0.969 74 R CA -0.730 55.342 56.100 -0.047 0.000 0.879 74 R CB 2.493 32.515 30.300 -0.464 0.000 1.178 74 R HN 0.584 nan 8.270 nan 0.000 0.445 75 W N 3.427 124.706 121.300 -0.035 0.000 3.033 75 W HA 0.540 5.200 4.660 -0.000 0.000 0.336 75 W C -1.053 175.488 176.519 0.036 0.000 1.173 75 W CA -0.591 56.749 57.345 -0.009 0.000 1.185 75 W CB 2.059 31.489 29.460 -0.051 0.000 1.425 75 W HN 0.762 nan 8.180 nan 0.000 0.536 76 C N 1.024 120.333 119.300 0.014 0.000 3.241 76 C HA 0.763 5.223 4.460 -0.000 0.000 0.312 76 C C -0.055 174.937 174.990 0.003 0.000 1.350 76 C CA -0.692 58.352 59.018 0.042 0.000 1.415 76 C CB 1.241 28.919 27.740 -0.103 0.000 1.770 76 C HN 0.604 nan 8.230 nan 0.000 0.466 77 S N -0.737 114.970 115.700 0.013 0.000 2.632 77 S HA 0.497 4.967 4.470 -0.000 0.000 0.271 77 S C 0.920 175.509 174.600 -0.019 0.000 1.260 77 S CA -0.020 58.200 58.200 0.032 0.000 1.010 77 S CB 0.621 63.853 63.200 0.055 0.000 0.965 77 S HN 1.702 nan 8.310 nan 0.000 0.534 78 C N 2.705 121.952 119.300 -0.089 0.000 2.780 78 C HA 0.549 5.009 4.460 -0.000 0.000 0.287 78 C C 0.293 175.255 174.990 -0.047 0.000 1.288 78 C CA -0.889 58.102 59.018 -0.045 0.000 1.713 78 C CB -1.896 25.703 27.740 -0.236 0.000 1.955 78 C HN 0.705 nan 8.230 nan 0.000 0.613 79 N N 1.068 119.747 118.700 -0.036 0.000 2.367 79 N HA 0.305 5.045 4.740 -0.000 0.000 0.278 79 N C 0.324 175.726 175.510 -0.181 0.000 1.117 79 N CA -0.408 52.554 53.050 -0.146 0.000 0.867 79 N CB 1.655 40.199 38.487 0.094 0.000 1.649 79 N HN 0.413 nan 8.380 nan 0.000 0.479 80 I N 0.056 120.365 120.570 -0.435 0.000 3.444 80 I HA 0.059 4.229 4.170 -0.000 0.000 0.287 80 I C 0.024 175.939 176.117 -0.335 0.000 1.302 80 I CA 0.703 61.735 61.300 -0.446 0.000 1.368 80 I CB -0.225 37.390 38.000 -0.642 0.000 1.048 80 I HN 0.431 nan 8.210 nan 0.000 0.487 81 Y N 0.485 120.772 120.300 -0.023 0.000 2.423 81 Y HA 0.127 4.677 4.550 -0.000 0.000 0.257 81 Y C 2.609 178.523 175.900 0.024 0.000 1.087 81 Y CA 0.118 58.221 58.100 0.005 0.000 1.258 81 Y CB 0.398 38.857 38.460 -0.002 0.000 1.237 81 Y HN 0.221 nan 8.280 nan 0.000 0.517 82 S N -0.671 115.137 115.700 0.179 0.000 2.489 82 S HA -0.024 4.446 4.470 -0.000 0.000 0.228 82 S C 0.804 175.479 174.600 0.124 0.000 0.995 82 S CA 0.156 58.447 58.200 0.152 0.000 0.934 82 S CB -0.660 62.702 63.200 0.271 0.000 0.771 82 S HN 0.057 nan 8.310 nan 0.000 0.522 83 T N 3.263 117.882 114.554 0.108 0.000 2.888 83 T HA 0.498 4.848 4.350 -0.000 0.000 0.301 83 T C 0.069 174.770 174.700 0.002 0.000 1.001 83 T CA 0.254 62.394 62.100 0.067 0.000 1.147 83 T CB 0.863 69.772 68.868 0.069 0.000 0.931 83 T HN 0.464 nan 8.240 nan 0.000 0.541 84 A N 3.519 126.275 122.820 -0.106 0.000 2.280 84 A HA 0.372 4.692 4.320 -0.000 0.000 0.320 84 A C 1.180 178.541 177.584 -0.371 0.000 1.366 84 A CA -0.778 51.043 52.037 -0.360 0.000 0.938 84 A CB 0.201 18.825 19.000 -0.627 0.000 1.157 84 A HN 0.812 nan 8.150 nan 0.000 0.536 85 D N 1.577 121.861 120.400 -0.193 0.000 2.149 85 D HA -0.262 4.378 4.640 -0.000 0.000 0.194 85 D C 1.482 177.778 176.300 -0.007 0.000 1.001 85 D CA 2.547 56.531 54.000 -0.028 0.000 0.849 85 D CB -0.265 40.577 40.800 0.071 0.000 0.939 85 D HN 0.914 nan 8.370 nan 0.000 0.449 86 Y N 0.011 120.388 120.300 0.128 0.000 2.352 86 Y HA 0.175 4.725 4.550 -0.000 0.000 0.292 86 Y C 2.287 178.273 175.900 0.142 0.000 1.136 86 Y CA 0.694 58.897 58.100 0.171 0.000 1.227 86 Y CB -0.805 37.861 38.460 0.345 0.000 0.991 86 Y HN -0.064 nan 8.280 nan 0.000 0.545 87 A N 1.271 124.028 122.820 -0.105 0.000 1.898 87 A HA 0.146 4.466 4.320 -0.000 0.000 0.214 87 A C 2.472 180.044 177.584 -0.021 0.000 1.183 87 A CA 1.322 53.350 52.037 -0.014 0.000 0.622 87 A CB -1.229 17.704 19.000 -0.111 0.000 0.824 87 A HN 0.558 nan 8.150 nan 0.000 0.444 88 A N 0.123 122.924 122.820 -0.032 0.000 1.902 88 A HA 0.155 4.475 4.320 -0.000 0.000 0.217 88 A C 2.492 180.082 177.584 0.010 0.000 1.181 88 A CA 2.089 54.125 52.037 -0.002 0.000 0.623 88 A CB -1.005 18.026 19.000 0.051 0.000 0.818 88 A HN 0.994 nan 8.150 nan 0.000 0.443 89 A N -0.155 122.691 122.820 0.043 0.000 1.902 89 A HA 0.166 4.486 4.320 -0.000 0.000 0.217 89 A C 2.520 180.124 177.584 0.033 0.000 1.181 89 A CA 2.130 54.194 52.037 0.046 0.000 0.623 89 A CB -1.049 17.999 19.000 0.080 0.000 0.818 89 A HN 1.056 nan 8.150 nan 0.000 0.443 90 A N -0.863 121.989 122.820 0.053 0.000 1.902 90 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 90 A C 2.331 179.905 177.584 -0.016 0.000 1.181 90 A CA 1.819 53.876 52.037 0.033 0.000 0.623 90 A CB -1.047 17.988 19.000 0.059 0.000 0.818 90 A HN 0.748 nan 8.150 nan 0.000 0.443 91 V N 0.946 120.833 119.914 -0.045 0.000 2.548 91 V HA -0.148 3.972 4.120 -0.000 0.000 0.249 91 V C 2.696 178.736 176.094 -0.089 0.000 1.055 91 V CA 2.526 64.769 62.300 -0.095 0.000 1.065 91 V CB -0.410 31.314 31.823 -0.165 0.000 0.681 91 V HN 0.797 nan 8.190 nan 0.000 0.462 92 S N -1.874 113.783 115.700 -0.072 0.000 2.547 92 S HA -0.158 4.312 4.470 -0.000 0.000 0.235 92 S C 1.728 176.292 174.600 -0.060 0.000 0.980 92 S CA 1.615 59.767 58.200 -0.079 0.000 0.941 92 S CB -0.494 62.663 63.200 -0.072 0.000 0.763 92 S HN 0.597 nan 8.310 nan 0.000 0.532 93 T N 2.225 116.753 114.554 -0.043 0.000 2.978 93 T HA 0.261 4.611 4.350 -0.000 0.000 0.262 93 T C 0.665 175.344 174.700 -0.035 0.000 1.063 93 T CA 0.098 62.179 62.100 -0.031 0.000 1.140 93 T CB -0.229 68.629 68.868 -0.017 0.000 0.886 93 T HN 0.238 nan 8.240 nan 0.000 0.470 94 L N 2.435 123.630 121.223 -0.047 0.000 2.499 94 L HA 0.137 4.477 4.340 -0.000 0.000 0.281 94 L C 0.840 177.688 176.870 -0.037 0.000 1.234 94 L CA 0.433 55.245 54.840 -0.046 0.000 0.839 94 L CB -0.027 41.994 42.059 -0.063 0.000 1.104 94 L HN 0.269 nan 8.230 nan 0.000 0.500 95 E N 2.564 122.747 120.200 -0.027 0.000 2.373 95 E HA 0.028 4.378 4.350 -0.000 0.000 0.267 95 E C 0.308 176.902 176.600 -0.010 0.000 1.032 95 E CA -0.160 56.231 56.400 -0.015 0.000 0.889 95 E CB 0.288 29.982 29.700 -0.009 0.000 0.984 95 E HN 0.426 nan 8.360 nan 0.000 0.425 96 N N -0.154 118.548 118.700 0.004 0.000 2.741 96 N HA -0.161 4.579 4.740 -0.000 0.000 0.250 96 N C -1.011 174.513 175.510 0.024 0.000 1.115 96 N CA 0.623 53.690 53.050 0.029 0.000 0.724 96 N CB -1.214 37.297 38.487 0.041 0.000 1.090 96 N HN 0.162 nan 8.380 nan 0.000 0.558 97 V N 0.548 120.450 119.914 -0.019 0.000 2.525 97 V HA 0.496 4.616 4.120 -0.000 0.000 0.299 97 V C 0.202 176.239 176.094 -0.095 0.000 1.034 97 V CA -0.401 61.874 62.300 -0.041 0.000 0.863 97 V CB 2.359 34.142 31.823 -0.066 0.000 0.999 97 V HN 0.101 nan 8.190 nan 0.000 0.423 98 T N 4.150 118.622 114.554 -0.137 0.000 2.841 98 T HA 0.719 5.069 4.350 -0.000 0.000 0.283 98 T C -0.627 173.856 174.700 -0.361 0.000 1.000 98 T CA -0.494 61.438 62.100 -0.279 0.000 0.977 98 T CB 1.933 70.623 68.868 -0.297 0.000 0.979 98 T HN 0.344 nan 8.240 nan 0.000 0.446 99 V N 3.363 122.961 119.914 -0.526 0.000 2.656 99 V HA 0.600 4.720 4.120 -0.000 0.000 0.307 99 V C -1.324 174.387 176.094 -0.638 0.000 1.051 99 V CA -0.914 61.154 62.300 -0.387 0.000 0.893 99 V CB 1.655 33.399 31.823 -0.132 0.000 0.999 99 V HN 0.893 nan 8.190 nan 0.000 0.426 100 F N 3.195 123.230 119.950 0.143 0.000 2.676 100 F HA 0.835 5.362 4.527 -0.000 0.000 0.371 100 F C 0.241 176.139 175.800 0.163 0.000 1.141 100 F CA -0.324 57.813 58.000 0.230 0.000 1.133 100 F CB 1.665 40.745 39.000 0.133 0.000 1.376 100 F HN 0.633 nan 8.300 nan 0.000 0.491 101 A N 2.744 125.782 122.820 0.363 0.000 2.594 101 A HA 0.776 5.096 4.320 -0.000 0.000 0.296 101 A C -2.203 175.594 177.584 0.355 0.000 1.056 101 A CA -0.810 51.315 52.037 0.146 0.000 0.693 101 A CB 0.901 19.970 19.000 0.114 0.000 1.278 101 A HN 0.807 nan 8.150 nan 0.000 0.408 102 W N 0.971 122.338 121.300 0.111 0.000 3.275 102 W HA 0.679 5.339 4.660 0.000 0.000 0.306 102 W C -0.921 175.653 176.519 0.092 0.000 1.259 102 W CA -0.770 56.624 57.345 0.082 0.000 1.194 102 W CB 0.795 30.300 29.460 0.076 0.000 1.375 102 W HN 0.797 nan 8.180 nan 0.000 0.564 103 K N 2.779 123.348 120.400 0.282 0.000 2.382 103 K HA 0.091 4.411 4.320 -0.000 0.000 0.275 103 K C 0.536 177.316 176.600 0.301 0.000 1.009 103 K CA 0.476 56.894 56.287 0.219 0.000 0.970 103 K CB 0.156 32.766 32.500 0.184 0.000 0.934 103 K HN 0.718 nan 8.250 nan 0.000 0.479 104 N N 1.927 120.801 118.700 0.290 0.000 2.780 104 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 104 N C -1.161 174.503 175.510 0.256 0.000 1.102 104 N CA 1.202 54.453 53.050 0.335 0.000 0.697 104 N CB -1.067 37.599 38.487 0.298 0.000 1.028 104 N HN 0.745 nan 8.380 nan 0.000 0.554 105 E N -0.267 119.956 120.200 0.038 0.000 2.373 105 E HA 0.369 4.719 4.350 -0.000 0.000 0.263 105 E C 0.887 177.498 176.600 0.019 0.000 1.073 105 E CA -0.523 55.869 56.400 -0.013 0.000 0.894 105 E CB 0.643 29.964 29.700 -0.632 0.000 1.008 105 E HN 0.273 nan 8.360 nan 0.000 0.420 106 T N -0.609 114.014 114.554 0.116 0.000 2.849 106 T HA 0.149 4.499 4.350 -0.000 0.000 0.284 106 T C 1.261 175.997 174.700 0.060 0.000 1.004 106 T CA -0.716 61.437 62.100 0.089 0.000 1.021 106 T CB 0.532 69.479 68.868 0.131 0.000 1.013 106 T HN 0.521 nan 8.240 nan 0.000 0.527 107 L N 0.089 121.349 121.223 0.060 0.000 2.083 107 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 107 L C 3.049 180.072 176.870 0.255 0.000 1.083 107 L CA 1.674 56.575 54.840 0.101 0.000 0.752 107 L CB -0.584 41.542 42.059 0.111 0.000 0.899 107 L HN 0.887 nan 8.230 nan 0.000 0.433 108 E N 0.561 120.897 120.200 0.228 0.000 2.047 108 E HA -0.235 4.115 4.350 -0.000 0.000 0.191 108 E C 1.940 178.707 176.600 0.278 0.000 0.987 108 E CA 1.299 57.856 56.400 0.262 0.000 0.799 108 E CB 0.103 29.908 29.700 0.174 0.000 0.752 108 E HN 0.530 nan 8.360 nan 0.000 0.449 109 E N -0.472 119.857 120.200 0.216 0.000 2.150 109 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 109 E C 1.843 178.534 176.600 0.152 0.000 0.985 109 E CA 0.918 57.456 56.400 0.230 0.000 0.814 109 E CB -0.238 29.625 29.700 0.272 0.000 0.752 109 E HN 0.364 nan 8.360 nan 0.000 0.466 110 Y N 0.099 120.349 120.300 -0.083 0.000 2.114 110 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 110 Y C 1.605 177.367 175.900 -0.231 0.000 1.143 110 Y CA 1.675 59.604 58.100 -0.286 0.000 1.135 110 Y CB -0.490 37.686 38.460 -0.473 0.000 0.980 110 Y HN 0.044 nan 8.280 nan 0.000 0.499 111 W N -1.311 119.986 121.300 -0.005 0.000 2.425 111 W HA -0.149 4.511 4.660 -0.000 0.000 0.277 111 W C 2.210 178.688 176.519 -0.068 0.000 1.231 111 W CA 0.814 58.113 57.345 -0.076 0.000 1.248 111 W CB -0.883 28.643 29.460 0.110 0.000 1.117 111 W HN 0.307 nan 8.180 nan 0.000 0.568 112 W N 0.146 121.489 121.300 0.072 0.000 2.358 112 W HA -0.266 4.394 4.660 0.000 0.000 0.303 112 W C 2.146 178.595 176.519 -0.117 0.000 1.208 112 W CA 2.042 59.392 57.345 0.009 0.000 1.274 112 W CB -0.801 28.688 29.460 0.047 0.000 1.138 112 W HN -0.241 nan 8.180 nan 0.000 0.515 113 C N -0.593 118.681 119.300 -0.044 0.000 2.446 113 C HA -0.175 4.285 4.460 -0.000 0.000 0.277 113 C C 2.761 177.518 174.990 -0.389 0.000 1.275 113 C CA 1.160 60.030 59.018 -0.246 0.000 1.727 113 C CB -1.363 26.313 27.740 -0.108 0.000 2.010 113 C HN 0.244 nan 8.230 nan 0.000 0.486 114 V N 0.876 120.557 119.914 -0.388 0.000 2.261 114 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 114 V C 2.484 178.466 176.094 -0.187 0.000 1.047 114 V CA 2.386 64.507 62.300 -0.297 0.000 1.015 114 V CB -0.816 30.860 31.823 -0.245 0.000 0.642 114 V HN 0.622 nan 8.190 nan 0.000 0.446 115 E N 0.197 120.305 120.200 -0.154 0.000 2.058 115 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 115 E C 2.321 178.734 176.600 -0.312 0.000 0.997 115 E CA 1.716 58.071 56.400 -0.075 0.000 0.801 115 E CB -0.121 29.552 29.700 -0.045 0.000 0.746 115 E HN 0.595 nan 8.360 nan 0.000 0.450 116 S N 0.380 115.639 115.700 -0.734 0.000 2.368 116 S HA -0.161 4.309 4.470 -0.000 0.000 0.225 116 S C 2.019 176.161 174.600 -0.765 0.000 1.030 116 S CA 1.009 58.570 58.200 -1.065 0.000 0.999 116 S CB -0.239 61.721 63.200 -2.066 0.000 0.844 116 S HN 0.488 nan 8.310 nan 0.000 0.459 117 A N 0.994 123.510 122.820 -0.506 0.000 1.969 117 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 117 A C 2.002 179.498 177.584 -0.145 0.000 1.169 117 A CA 0.998 52.922 52.037 -0.189 0.000 0.635 117 A CB -0.515 18.434 19.000 -0.084 0.000 0.810 117 A HN 0.466 nan 8.150 nan 0.000 0.445 118 L N -0.463 120.728 121.223 -0.055 0.000 2.418 118 L HA 0.019 4.359 4.340 -0.000 0.000 0.218 118 L C 0.229 177.206 176.870 0.178 0.000 1.125 118 L CA 0.352 55.284 54.840 0.154 0.000 0.835 118 L CB -0.085 42.146 42.059 0.286 0.000 0.953 118 L HN 0.137 nan 8.230 nan 0.000 0.454 119 T N -0.273 114.252 114.554 -0.048 0.000 2.747 119 T HA 0.129 4.479 4.350 -0.000 0.000 0.301 119 T C -0.820 173.824 174.700 -0.093 0.000 0.952 119 T CA -0.243 61.817 62.100 -0.067 0.000 0.983 119 T CB 0.038 68.790 68.868 -0.192 0.000 0.930 119 T HN 0.084 nan 8.240 nan 0.000 0.494 120 W N 3.705 124.966 121.300 -0.064 0.000 1.978 120 W HA 0.518 5.178 4.660 -0.000 0.000 0.373 120 W C 1.200 177.698 176.519 -0.035 0.000 0.813 120 W CA -0.111 57.217 57.345 -0.029 0.000 1.571 120 W CB -0.359 29.093 29.460 -0.014 0.000 1.746 120 W HN 1.149 nan 8.180 nan 0.000 0.302 121 G N 2.110 110.958 108.800 0.080 0.000 2.554 121 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.253 121 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.253 121 G C -0.660 174.244 174.900 0.007 0.000 1.172 121 G CA 0.251 45.381 45.100 0.050 0.000 0.950 121 G HN 0.512 nan 8.290 nan 0.000 0.557 122 D N -0.901 119.505 120.400 0.010 0.000 2.663 122 D HA 0.668 5.308 4.640 -0.000 0.000 0.233 122 D C 0.704 176.994 176.300 -0.016 0.000 1.240 122 D CA 1.386 55.374 54.000 -0.021 0.000 0.774 122 D CB 0.915 41.700 40.800 -0.026 0.000 1.443 122 D HN 2.335 nan 8.370 nan 0.000 0.441 123 G N 0.751 109.530 108.800 -0.034 0.000 2.488 123 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.237 123 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.237 123 G C -0.902 173.982 174.900 -0.026 0.000 1.209 123 G CA -0.102 44.982 45.100 -0.027 0.000 0.929 123 G HN 0.825 nan 8.290 nan 0.000 0.578 124 D N 2.283 122.674 120.400 -0.016 0.000 2.443 124 D HA 0.392 5.032 4.640 -0.000 0.000 0.239 124 D C 0.290 176.583 176.300 -0.012 0.000 1.136 124 D CA 1.288 55.279 54.000 -0.015 0.000 0.879 124 D CB 0.227 41.022 40.800 -0.009 0.000 1.195 124 D HN 0.587 nan 8.370 nan 0.000 0.443 125 D N 1.164 121.552 120.400 -0.019 0.000 3.082 125 D HA -0.199 4.441 4.640 -0.000 0.000 0.234 125 D C 0.312 176.609 176.300 -0.006 0.000 1.159 125 D CA 0.315 54.301 54.000 -0.024 0.000 0.875 125 D CB -1.045 39.739 40.800 -0.027 0.000 0.946 125 D HN 0.344 nan 8.370 nan 0.000 0.411 126 N N -0.104 118.590 118.700 -0.010 0.000 2.236 126 N HA 0.219 4.959 4.740 -0.000 0.000 0.196 126 N C 0.586 176.142 175.510 0.077 0.000 1.114 126 N CA 0.639 53.700 53.050 0.018 0.000 0.859 126 N CB 0.688 39.140 38.487 -0.060 0.000 0.982 126 N HN 0.420 nan 8.380 nan 0.000 0.493 127 G N -0.308 108.512 108.800 0.033 0.000 2.735 127 G HA2 0.522 4.482 3.960 -0.000 0.000 0.301 127 G HA3 0.522 4.482 3.960 -0.000 0.000 0.301 127 G C -2.856 171.948 174.900 -0.160 0.000 1.279 127 G CA -1.214 43.929 45.100 0.071 0.000 1.019 127 G HN -0.026 nan 8.290 nan 0.000 0.497 128 P HA 0.299 nan 4.420 nan 0.000 0.279 128 P C -0.504 176.628 177.300 -0.280 0.000 1.276 128 P CA -0.343 62.498 63.100 -0.431 0.000 0.801 128 P CB 2.164 33.836 31.700 -0.046 0.000 1.127 129 D N -0.521 119.718 120.400 -0.268 0.000 2.216 129 D HA 0.143 4.783 4.640 -0.000 0.000 0.208 129 D C 0.744 177.011 176.300 -0.054 0.000 0.960 129 D CA 1.523 55.473 54.000 -0.082 0.000 0.861 129 D CB 0.310 41.172 40.800 0.103 0.000 0.985 129 D HN 0.363 nan 8.370 nan 0.000 0.493 130 M N 0.194 119.745 119.600 -0.081 0.000 2.575 130 M HA 0.442 4.922 4.480 -0.000 0.000 0.284 130 M C -1.220 175.033 176.300 -0.078 0.000 1.253 130 M CA -0.582 54.677 55.300 -0.068 0.000 0.861 130 M CB 3.480 36.084 32.600 0.006 0.000 1.733 130 M HN -0.326 nan 8.290 nan 0.000 0.462 131 I N 1.240 121.757 120.570 -0.089 0.000 2.608 131 I HA 0.548 4.718 4.170 -0.000 0.000 0.295 131 I C -1.034 175.045 176.117 -0.063 0.000 1.049 131 I CA -1.103 60.149 61.300 -0.081 0.000 1.063 131 I CB 2.472 40.423 38.000 -0.081 0.000 1.248 131 I HN 0.303 nan 8.210 nan 0.000 0.424 132 V N 4.359 124.196 119.914 -0.130 0.000 2.334 132 V HA 0.389 4.509 4.120 -0.000 0.000 0.281 132 V C -0.644 175.347 176.094 -0.170 0.000 1.016 132 V CA -0.412 61.824 62.300 -0.107 0.000 0.832 132 V CB 1.391 33.163 31.823 -0.086 0.000 0.999 132 V HN 0.605 nan 8.190 nan 0.000 0.439 133 D N 2.736 123.099 120.400 -0.062 0.000 2.350 133 D HA 0.451 5.091 4.640 -0.000 0.000 0.238 133 D C -1.132 175.161 176.300 -0.012 0.000 0.989 133 D CA -0.307 53.659 54.000 -0.056 0.000 0.921 133 D CB 2.470 43.273 40.800 0.006 0.000 1.297 133 D HN 0.550 nan 8.370 nan 0.000 0.490 134 D N 0.517 120.899 120.400 -0.029 0.000 2.364 134 D HA 0.405 5.045 4.640 -0.000 0.000 0.251 134 D C 0.519 176.804 176.300 -0.026 0.000 1.282 134 D CA -0.221 53.772 54.000 -0.013 0.000 0.927 134 D CB 0.164 40.943 40.800 -0.034 0.000 1.267 134 D HN 0.618 nan 8.370 nan 0.000 0.531 135 G N 1.387 110.195 108.800 0.012 0.000 2.284 135 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.201 135 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.201 135 G C 1.030 176.021 174.900 0.153 0.000 0.998 135 G CA 0.337 45.462 45.100 0.042 0.000 0.651 135 G HN 1.368 nan 8.290 nan 0.000 0.489 136 G N -0.054 108.810 108.800 0.106 0.000 2.143 136 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.249 136 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.249 136 G C 0.695 175.678 174.900 0.139 0.000 0.981 136 G CA 1.149 46.316 45.100 0.111 0.000 0.665 136 G HN 0.613 nan 8.290 nan 0.000 0.528 137 D N 0.473 120.972 120.400 0.165 0.000 2.117 137 D HA 0.086 4.726 4.640 -0.000 0.000 0.197 137 D C 2.688 179.122 176.300 0.223 0.000 0.987 137 D CA 1.783 55.917 54.000 0.223 0.000 0.829 137 D CB -0.498 40.412 40.800 0.184 0.000 0.961 137 D HN 0.691 nan 8.370 nan 0.000 0.460 138 A N 0.073 122.960 122.820 0.112 0.000 1.877 138 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 138 A C 2.356 180.027 177.584 0.145 0.000 1.186 138 A CA 2.100 54.191 52.037 0.089 0.000 0.620 138 A CB -0.919 18.084 19.000 0.005 0.000 0.822 138 A HN 0.217 nan 8.150 nan 0.000 0.443 139 T N 0.129 114.792 114.554 0.182 0.000 2.788 139 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 139 T C 1.821 176.687 174.700 0.276 0.000 1.044 139 T CA 1.473 63.752 62.100 0.299 0.000 1.139 139 T CB -0.357 68.657 68.868 0.243 0.000 0.867 139 T HN 0.325 nan 8.240 nan 0.000 0.454 140 L N 1.148 122.469 121.223 0.163 0.000 1.994 140 L HA 0.025 4.365 4.340 -0.000 0.000 0.208 140 L C 2.209 179.177 176.870 0.163 0.000 1.071 140 L CA 1.499 56.410 54.840 0.118 0.000 0.745 140 L CB -0.940 41.139 42.059 0.033 0.000 0.892 140 L HN 0.153 nan 8.230 nan 0.000 0.431 141 L N -0.993 120.328 121.223 0.163 0.000 2.043 141 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 141 L C 2.361 178.987 176.870 -0.407 0.000 1.075 141 L CA 2.083 56.894 54.840 -0.048 0.000 0.752 141 L CB -0.748 41.246 42.059 -0.109 0.000 0.891 141 L HN 0.179 nan 8.230 nan 0.000 0.432 142 V N -0.943 118.843 119.914 -0.215 0.000 2.307 142 V HA -0.311 3.809 4.120 -0.000 0.000 0.245 142 V C 2.410 178.469 176.094 -0.058 0.000 1.045 142 V CA 2.074 64.289 62.300 -0.141 0.000 1.024 142 V CB -0.948 30.983 31.823 0.180 0.000 0.651 142 V HN 0.538 nan 8.190 nan 0.000 0.449 143 H N -0.011 119.058 119.070 -0.002 0.000 2.357 143 H HA -0.048 4.508 4.556 -0.000 0.000 0.301 143 H C 2.333 177.655 175.328 -0.011 0.000 1.082 143 H CA 1.301 57.339 56.048 -0.015 0.000 1.342 143 H CB -0.027 29.704 29.762 -0.051 0.000 1.389 143 H HN 0.166 nan 8.280 nan 0.000 0.511 144 K N -0.041 120.434 120.400 0.125 0.000 2.097 144 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 144 K C 2.367 179.033 176.600 0.110 0.000 1.050 144 K CA 0.939 57.316 56.287 0.151 0.000 0.938 144 K CB -0.594 32.092 32.500 0.310 0.000 0.718 144 K HN 0.423 nan 8.250 nan 0.000 0.442 145 G N 0.895 109.620 108.800 -0.125 0.000 2.421 145 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 145 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 145 G C 1.659 176.644 174.900 0.143 0.000 1.171 145 G CA 0.799 45.797 45.100 -0.170 0.000 0.775 145 G HN 0.132 nan 8.290 nan 0.000 0.543 146 V N 0.522 120.507 119.914 0.118 0.000 2.427 146 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 146 V C 2.536 178.680 176.094 0.082 0.000 1.051 146 V CA 2.141 64.517 62.300 0.126 0.000 1.048 146 V CB -0.219 31.641 31.823 0.061 0.000 0.666 146 V HN 0.560 nan 8.190 nan 0.000 0.456 147 E N -0.572 119.652 120.200 0.041 0.000 2.047 147 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 147 E C 2.141 178.707 176.600 -0.056 0.000 0.987 147 E CA 1.599 57.972 56.400 -0.045 0.000 0.799 147 E CB -0.225 29.395 29.700 -0.133 0.000 0.752 147 E HN 0.713 nan 8.360 nan 0.000 0.449 148 Y N 0.732 121.047 120.300 0.027 0.000 2.373 148 Y HA -0.079 4.471 4.550 -0.000 0.000 0.293 148 Y C 2.151 178.102 175.900 0.084 0.000 1.129 148 Y CA 1.097 59.218 58.100 0.036 0.000 1.226 148 Y CB 0.173 38.624 38.460 -0.014 0.000 1.000 148 Y HN 0.128 nan 8.280 nan 0.000 0.549 149 E N 0.179 120.523 120.200 0.239 0.000 2.150 149 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 149 E C 2.008 178.722 176.600 0.190 0.000 0.985 149 E CA 1.022 57.551 56.400 0.214 0.000 0.814 149 E CB -0.008 29.806 29.700 0.190 0.000 0.752 149 E HN 0.353 nan 8.360 nan 0.000 0.466 150 K N 0.691 121.167 120.400 0.127 0.000 2.116 150 K HA -0.072 4.248 4.320 -0.000 0.000 0.203 150 K C 2.103 178.746 176.600 0.072 0.000 1.052 150 K CA 0.390 56.725 56.287 0.080 0.000 0.952 150 K CB 0.095 32.619 32.500 0.040 0.000 0.729 150 K HN 0.061 nan 8.250 nan 0.000 0.446 151 L N 0.876 122.149 121.223 0.083 0.000 2.083 151 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 151 L C 1.950 178.889 176.870 0.115 0.000 1.083 151 L CA 1.751 56.634 54.840 0.073 0.000 0.752 151 L CB -0.714 41.383 42.059 0.063 0.000 0.899 151 L HN 0.310 nan 8.230 nan 0.000 0.433 152 Y N 0.830 121.169 120.300 0.064 0.000 2.286 152 Y HA -0.160 4.390 4.550 -0.000 0.000 0.293 152 Y C 2.516 178.437 175.900 0.034 0.000 1.124 152 Y CA 1.579 59.712 58.100 0.054 0.000 1.178 152 Y CB -0.006 38.492 38.460 0.063 0.000 1.010 152 Y HN 0.256 nan 8.280 nan 0.000 0.536 153 E N -0.070 120.140 120.200 0.017 0.000 2.516 153 E HA -0.123 4.227 4.350 -0.000 0.000 0.199 153 E C 0.927 177.478 176.600 -0.081 0.000 1.069 153 E CA 0.799 57.170 56.400 -0.049 0.000 0.876 153 E CB 0.198 29.925 29.700 0.045 0.000 0.843 153 E HN 0.708 nan 8.360 nan 0.000 0.530 154 E N -0.817 119.336 120.200 -0.078 0.000 2.444 154 E HA 0.055 4.405 4.350 -0.000 0.000 0.203 154 E C 1.146 177.699 176.600 -0.078 0.000 0.847 154 E CA -0.018 56.345 56.400 -0.062 0.000 1.142 154 E CB 0.511 30.195 29.700 -0.028 0.000 1.125 154 E HN -0.068 nan 8.360 nan 0.000 0.521 155 K N 0.577 120.932 120.400 -0.075 0.000 2.374 155 K HA 0.204 4.524 4.320 -0.000 0.000 0.202 155 K C -0.087 176.452 176.600 -0.101 0.000 1.040 155 K CA -0.109 56.140 56.287 -0.063 0.000 1.085 155 K CB 0.526 33.014 32.500 -0.020 0.000 0.873 155 K HN -0.009 nan 8.250 nan 0.000 0.539 156 N N 1.120 119.681 118.700 -0.230 0.000 2.721 156 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 156 N C -1.108 174.370 175.510 -0.054 0.000 1.072 156 N CA 0.418 53.220 53.050 -0.412 0.000 0.710 156 N CB -1.213 37.092 38.487 -0.303 0.000 0.993 156 N HN 0.300 nan 8.380 nan 0.000 0.547 157 I N 0.609 121.235 120.570 0.093 0.000 2.392 157 I HA 0.332 4.502 4.170 -0.000 0.000 0.295 157 I C 0.425 176.726 176.117 0.306 0.000 0.985 157 I CA -0.751 60.658 61.300 0.182 0.000 1.221 157 I CB 1.176 39.246 38.000 0.117 0.000 1.366 157 I HN -0.042 nan 8.210 nan 0.000 0.467 158 L N 7.126 128.479 121.223 0.217 0.000 2.334 158 L HA 0.512 4.852 4.340 -0.000 0.000 0.272 158 L C -2.164 174.723 176.870 0.028 0.000 1.020 158 L CA -1.872 53.033 54.840 0.109 0.000 0.812 158 L CB 1.577 43.644 42.059 0.014 0.000 1.264 158 L HN 0.366 nan 8.230 nan 0.000 0.439 159 P HA 0.044 nan 4.420 nan 0.000 0.269 159 P C -1.475 175.712 177.300 -0.188 0.000 1.252 159 P CA -0.306 62.610 63.100 -0.308 0.000 0.780 159 P CB 0.290 31.384 31.700 -1.011 0.000 0.829 160 D N 5.168 125.523 120.400 -0.076 0.000 2.280 160 D HA 0.097 4.737 4.640 -0.000 0.000 0.243 160 D C -1.832 174.434 176.300 -0.056 0.000 1.129 160 D CA -2.137 51.831 54.000 -0.054 0.000 0.848 160 D CB 1.395 42.189 40.800 -0.011 0.000 1.107 160 D HN 0.219 nan 8.370 nan 0.000 0.471 161 P HA -0.099 nan 4.420 nan 0.000 0.239 161 P C 0.663 177.952 177.300 -0.018 0.000 1.184 161 P CA 0.460 63.531 63.100 -0.049 0.000 0.760 161 P CB 0.504 32.172 31.700 -0.053 0.000 0.884 162 E N 1.907 122.100 120.200 -0.012 0.000 2.047 162 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 162 E C 1.518 178.122 176.600 0.007 0.000 0.987 162 E CA 1.113 57.513 56.400 0.000 0.000 0.799 162 E CB -0.657 29.045 29.700 0.003 0.000 0.752 162 E HN 0.572 nan 8.360 nan 0.000 0.449 163 K N 1.311 121.717 120.400 0.009 0.000 2.706 163 K HA 0.321 4.641 4.320 -0.000 0.000 0.217 163 K C 0.232 176.842 176.600 0.017 0.000 1.019 163 K CA 0.135 56.433 56.287 0.017 0.000 1.181 163 K CB -0.070 32.447 32.500 0.028 0.000 0.940 163 K HN -0.111 nan 8.250 nan 0.000 0.491 164 A N 2.072 124.898 122.820 0.011 0.000 2.476 164 A HA 0.063 4.383 4.320 -0.000 0.000 0.275 164 A C 0.176 177.767 177.584 0.012 0.000 1.133 164 A CA -0.395 51.650 52.037 0.012 0.000 0.797 164 A CB 0.097 19.104 19.000 0.012 0.000 1.081 164 A HN 0.457 nan 8.150 nan 0.000 0.510 165 K N 1.361 121.766 120.400 0.009 0.000 2.522 165 K HA 0.063 4.383 4.320 -0.000 0.000 0.194 165 K C 0.086 176.685 176.600 -0.001 0.000 1.026 165 K CA 0.317 56.607 56.287 0.004 0.000 1.119 165 K CB -0.098 32.402 32.500 0.001 0.000 0.856 165 K HN 0.771 nan 8.250 nan 0.000 0.513 166 N N -0.640 118.061 118.700 0.002 0.000 3.265 166 N HA -0.042 4.698 4.740 -0.000 0.000 0.235 166 N C -0.146 175.374 175.510 0.017 0.000 1.343 166 N CA -0.317 52.733 53.050 -0.001 0.000 0.904 166 N CB 0.987 39.460 38.487 -0.024 0.000 1.492 166 N HN -0.250 nan 8.380 nan 0.000 0.504 167 E N 0.657 120.870 120.200 0.023 0.000 2.077 167 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 167 E C 0.761 177.407 176.600 0.076 0.000 0.989 167 E CA 1.125 57.552 56.400 0.045 0.000 0.800 167 E CB 0.121 29.847 29.700 0.043 0.000 0.746 167 E HN 0.703 nan 8.360 nan 0.000 0.452 168 E N 0.614 120.858 120.200 0.075 0.000 2.150 168 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 168 E C 1.859 178.586 176.600 0.212 0.000 0.985 168 E CA 0.862 57.365 56.400 0.171 0.000 0.814 168 E CB 0.015 29.770 29.700 0.092 0.000 0.752 168 E HN 0.321 nan 8.360 nan 0.000 0.466 169 E N 0.464 120.712 120.200 0.080 0.000 2.208 169 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 169 E C 2.266 178.898 176.600 0.054 0.000 0.988 169 E CA 0.300 56.727 56.400 0.043 0.000 0.828 169 E CB 0.015 29.712 29.700 -0.005 0.000 0.763 169 E HN 0.093 nan 8.360 nan 0.000 0.478 170 R N -0.003 120.526 120.500 0.048 0.000 2.066 170 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 170 R C 2.203 178.510 176.300 0.012 0.000 1.131 170 R CA 1.767 57.881 56.100 0.022 0.000 0.955 170 R CB -0.493 29.827 30.300 0.033 0.000 0.851 170 R HN 0.290 nan 8.270 nan 0.000 0.432 171 C N 0.353 119.700 119.300 0.078 0.000 2.422 171 C HA -0.074 4.386 4.460 -0.000 0.000 0.279 171 C C 2.363 177.303 174.990 -0.082 0.000 1.305 171 C CA 0.274 59.352 59.018 0.101 0.000 1.757 171 C CB -1.258 26.669 27.740 0.312 0.000 1.962 171 C HN 0.568 nan 8.230 nan 0.000 0.499 172 F N 1.374 121.050 119.950 -0.457 0.000 2.113 172 F HA -0.042 4.485 4.527 0.000 0.000 0.297 172 F C 2.051 177.513 175.800 -0.562 0.000 1.103 172 F CA 1.528 58.961 58.000 -0.946 0.000 1.248 172 F CB -0.434 37.943 39.000 -1.040 0.000 0.999 172 F HN 0.091 nan 8.300 nan 0.000 0.475 173 L N -0.708 120.288 121.223 -0.380 0.000 2.156 173 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 173 L C 2.289 178.929 176.870 -0.383 0.000 1.095 173 L CA 1.496 56.072 54.840 -0.439 0.000 0.770 173 L CB -1.075 40.847 42.059 -0.228 0.000 0.914 173 L HN 0.120 nan 8.230 nan 0.000 0.439 174 T N 0.410 114.814 114.554 -0.249 0.000 2.708 174 T HA -0.212 4.138 4.350 -0.000 0.000 0.266 174 T C 1.876 176.461 174.700 -0.191 0.000 1.037 174 T CA 1.467 63.466 62.100 -0.168 0.000 1.146 174 T CB -0.279 68.544 68.868 -0.074 0.000 0.865 174 T HN 0.174 nan 8.240 nan 0.000 0.435 175 L N 0.718 121.802 121.223 -0.232 0.000 2.042 175 L HA -0.024 4.316 4.340 -0.000 0.000 0.210 175 L C 2.187 178.907 176.870 -0.251 0.000 1.076 175 L CA 1.614 56.339 54.840 -0.192 0.000 0.749 175 L CB -0.471 41.462 42.059 -0.209 0.000 0.893 175 L HN 0.239 nan 8.230 nan 0.000 0.432 176 L N -0.548 120.396 121.223 -0.465 0.000 2.056 176 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 176 L C 2.675 179.369 176.870 -0.293 0.000 1.078 176 L CA 1.578 56.161 54.840 -0.429 0.000 0.749 176 L CB -0.580 41.047 42.059 -0.721 0.000 0.901 176 L HN 0.345 nan 8.230 nan 0.000 0.433 177 K N 0.723 120.935 120.400 -0.313 0.000 2.026 177 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 177 K C 1.722 178.218 176.600 -0.175 0.000 1.048 177 K CA 1.984 58.126 56.287 -0.242 0.000 0.929 177 K CB -0.112 32.263 32.500 -0.208 0.000 0.713 177 K HN 0.403 nan 8.250 nan 0.000 0.439 178 N N -0.028 118.592 118.700 -0.133 0.000 2.166 178 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 178 N C 1.851 177.316 175.510 -0.076 0.000 1.019 178 N CA 1.008 54.006 53.050 -0.087 0.000 0.856 178 N CB -0.057 38.401 38.487 -0.048 0.000 0.993 178 N HN 0.164 nan 8.380 nan 0.000 0.426 179 S N 1.140 116.806 115.700 -0.057 0.000 2.368 179 S HA -0.046 4.424 4.470 -0.000 0.000 0.225 179 S C 1.855 176.419 174.600 -0.060 0.000 1.030 179 S CA 0.833 59.027 58.200 -0.010 0.000 0.999 179 S CB -0.183 63.118 63.200 0.170 0.000 0.844 179 S HN 0.215 nan 8.310 nan 0.000 0.459 180 I N 1.113 121.627 120.570 -0.094 0.000 2.439 180 I HA -0.076 4.094 4.170 -0.000 0.000 0.251 180 I C 1.813 177.781 176.117 -0.249 0.000 1.139 180 I CA 0.857 62.055 61.300 -0.169 0.000 1.438 180 I CB -0.239 37.618 38.000 -0.239 0.000 1.085 180 I HN 0.283 nan 8.210 nan 0.000 0.427 181 L N 0.595 121.684 121.223 -0.222 0.000 2.551 181 L HA -0.104 4.236 4.340 -0.000 0.000 0.228 181 L C 2.332 179.136 176.870 -0.110 0.000 1.153 181 L CA 0.837 55.566 54.840 -0.185 0.000 0.851 181 L CB -0.339 41.636 42.059 -0.139 0.000 0.959 181 L HN 0.249 nan 8.230 nan 0.000 0.451 182 K N -0.075 120.264 120.400 -0.102 0.000 2.329 182 K HA 0.032 4.352 4.320 -0.000 0.000 0.198 182 K C 0.261 176.813 176.600 -0.080 0.000 1.085 182 K CA 0.305 56.546 56.287 -0.076 0.000 0.961 182 K CB 0.647 33.104 32.500 -0.071 0.000 0.971 182 K HN 0.107 nan 8.250 nan 0.000 0.502 183 N N 0.465 119.106 118.700 -0.099 0.000 2.932 183 N HA 0.114 4.854 4.740 -0.000 0.000 0.242 183 N C -2.687 172.768 175.510 -0.091 0.000 1.351 183 N CA -1.292 51.700 53.050 -0.096 0.000 0.785 183 N CB 1.840 40.249 38.487 -0.130 0.000 1.501 183 N HN -0.112 nan 8.380 nan 0.000 0.584 184 P HA 0.026 nan 4.420 nan 0.000 0.251 184 P C -0.023 177.302 177.300 0.042 0.000 1.251 184 P CA 0.568 63.669 63.100 0.002 0.000 0.763 184 P CB 0.321 32.068 31.700 0.078 0.000 1.067 185 K N -0.668 119.727 120.400 -0.009 0.000 2.553 185 K HA 0.128 4.448 4.320 -0.000 0.000 0.205 185 K C 1.531 178.092 176.600 -0.065 0.000 1.168 185 K CA -0.176 56.111 56.287 -0.001 0.000 1.043 185 K CB 0.434 32.937 32.500 0.005 0.000 0.967 185 K HN 0.088 nan 8.250 nan 0.000 0.585 186 K N 0.466 120.760 120.400 -0.178 0.000 1.987 186 K HA -0.166 4.154 4.320 -0.000 0.000 0.216 186 K C 1.291 177.663 176.600 -0.381 0.000 1.051 186 K CA 2.047 58.101 56.287 -0.389 0.000 0.942 186 K CB -0.109 31.970 32.500 -0.702 0.000 0.722 186 K HN 0.117 nan 8.250 nan 0.000 0.444 187 W N 0.659 121.958 121.300 -0.003 0.000 2.402 187 W HA -0.080 4.580 4.660 -0.000 0.000 0.286 187 W C 2.381 178.909 176.519 0.016 0.000 1.221 187 W CA 0.936 58.287 57.345 0.009 0.000 1.257 187 W CB -0.550 28.917 29.460 0.010 0.000 1.120 187 W HN 0.149 nan 8.180 nan 0.000 0.551 188 T N 0.327 114.995 114.554 0.191 0.000 2.746 188 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 188 T C 1.266 176.014 174.700 0.080 0.000 1.039 188 T CA 1.881 64.053 62.100 0.121 0.000 1.142 188 T CB -0.553 68.367 68.868 0.087 0.000 0.866 188 T HN 0.285 nan 8.240 nan 0.000 0.444 189 N N 0.393 119.116 118.700 0.038 0.000 2.216 189 N HA 0.083 4.823 4.740 -0.000 0.000 0.183 189 N C 1.856 177.380 175.510 0.023 0.000 1.017 189 N CA 0.713 53.772 53.050 0.014 0.000 0.861 189 N CB -0.140 38.333 38.487 -0.023 0.000 0.986 189 N HN 0.285 nan 8.380 nan 0.000 0.428 190 I N 1.250 121.839 120.570 0.032 0.000 2.142 190 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 190 I C 2.449 178.624 176.117 0.098 0.000 1.078 190 I CA 0.775 62.110 61.300 0.057 0.000 1.343 190 I CB -0.364 37.693 38.000 0.094 0.000 1.046 190 I HN 0.154 nan 8.210 nan 0.000 0.405 191 A N 0.577 123.497 122.820 0.167 0.000 2.032 191 A HA -0.240 4.080 4.320 -0.000 0.000 0.221 191 A C 2.225 179.908 177.584 0.165 0.000 1.165 191 A CA 1.612 53.774 52.037 0.208 0.000 0.645 191 A CB -0.496 18.625 19.000 0.201 0.000 0.807 191 A HN 0.375 nan 8.150 nan 0.000 0.453 192 K N -0.716 119.743 120.400 0.100 0.000 2.288 192 K HA -0.048 4.272 4.320 -0.000 0.000 0.201 192 K C 1.106 177.734 176.600 0.046 0.000 1.048 192 K CA 0.912 57.243 56.287 0.074 0.000 0.956 192 K CB 0.032 32.560 32.500 0.048 0.000 0.746 192 K HN 0.254 nan 8.250 nan 0.000 0.461 193 K N 0.475 120.886 120.400 0.019 0.000 2.367 193 K HA 0.177 4.497 4.320 -0.000 0.000 0.194 193 K C 0.666 177.238 176.600 -0.047 0.000 1.027 193 K CA 0.107 56.385 56.287 -0.015 0.000 1.075 193 K CB 0.401 32.881 32.500 -0.032 0.000 0.845 193 K HN 0.116 nan 8.250 nan 0.000 0.529 194 I N 2.921 123.441 120.570 -0.082 0.000 2.505 194 I HA -0.078 4.092 4.170 -0.000 0.000 0.287 194 I C 1.527 177.553 176.117 -0.152 0.000 1.104 194 I CA -0.201 60.962 61.300 -0.229 0.000 1.387 194 I CB 0.431 38.064 38.000 -0.613 0.000 1.404 194 I HN -0.114 nan 8.210 nan 0.000 0.528 195 I N 5.036 125.551 120.570 -0.092 0.000 2.226 195 I HA -0.014 4.156 4.170 -0.000 0.000 0.245 195 I C 1.214 177.338 176.117 0.011 0.000 1.100 195 I CA 1.030 62.326 61.300 -0.007 0.000 1.374 195 I CB -1.360 36.666 38.000 0.045 0.000 1.057 195 I HN 0.769 nan 8.210 nan 0.000 0.413 196 G N -0.634 108.116 108.800 -0.083 0.000 2.322 196 G HA2 0.405 4.365 3.960 -0.000 0.000 0.295 196 G HA3 0.405 4.365 3.960 -0.000 0.000 0.295 196 G C -1.877 172.989 174.900 -0.057 0.000 1.369 196 G CA -0.124 44.978 45.100 0.003 0.000 0.821 196 G HN -0.034 nan 8.290 nan 0.000 0.536 197 V N -0.282 119.691 119.914 0.098 0.000 3.040 197 V HA 0.902 5.022 4.120 -0.000 0.000 0.312 197 V C -0.522 175.622 176.094 0.084 0.000 1.115 197 V CA 0.027 62.380 62.300 0.087 0.000 0.998 197 V CB 2.331 34.286 31.823 0.220 0.000 1.042 197 V HN 1.858 nan 8.190 nan 0.000 0.433 198 S N 3.575 119.310 115.700 0.058 0.000 2.659 198 S HA 0.634 5.104 4.470 -0.000 0.000 0.312 198 S C -0.885 173.753 174.600 0.063 0.000 1.114 198 S CA -0.689 57.545 58.200 0.057 0.000 1.063 198 S CB 1.591 64.823 63.200 0.053 0.000 0.996 198 S HN 0.708 nan 8.310 nan 0.000 0.478 199 E N 1.597 121.835 120.200 0.063 0.000 2.259 199 E HA 0.250 4.600 4.350 -0.000 0.000 0.281 199 E C 0.630 177.268 176.600 0.063 0.000 1.027 199 E CA -0.315 56.119 56.400 0.057 0.000 0.838 199 E CB 1.746 31.473 29.700 0.046 0.000 1.066 199 E HN 0.921 nan 8.360 nan 0.000 0.401 200 E N 2.012 122.255 120.200 0.070 0.000 2.140 200 E HA -0.000 4.350 4.350 -0.000 0.000 0.191 200 E C 0.260 176.897 176.600 0.061 0.000 0.973 200 E CA 0.603 57.058 56.400 0.090 0.000 0.829 200 E CB 0.356 30.137 29.700 0.135 0.000 0.781 200 E HN 0.321 nan 8.360 nan 0.000 0.466 201 T N -1.226 113.350 114.554 0.037 0.000 2.940 201 T HA 0.228 4.578 4.350 -0.000 0.000 0.288 201 T C 0.749 175.442 174.700 -0.012 0.000 1.033 201 T CA -0.081 62.025 62.100 0.011 0.000 1.033 201 T CB 1.512 70.378 68.868 -0.003 0.000 1.079 201 T HN 0.072 nan 8.240 nan 0.000 0.496 202 T N 1.976 116.513 114.554 -0.029 0.000 2.699 202 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 202 T C 2.014 176.678 174.700 -0.061 0.000 1.036 202 T CA 2.015 64.089 62.100 -0.044 0.000 1.147 202 T CB -0.425 68.410 68.868 -0.055 0.000 0.862 202 T HN 0.659 nan 8.240 nan 0.000 0.446 203 T N 1.010 115.514 114.554 -0.084 0.000 2.777 203 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 203 T C 2.292 176.981 174.700 -0.019 0.000 1.040 203 T CA 1.315 63.359 62.100 -0.095 0.000 1.141 203 T CB -0.789 67.985 68.868 -0.157 0.000 0.868 203 T HN 0.540 nan 8.240 nan 0.000 0.444 204 G N 0.776 109.573 108.800 -0.004 0.000 2.422 204 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 204 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 204 G C 1.678 176.582 174.900 0.008 0.000 1.146 204 G CA 0.786 45.904 45.100 0.029 0.000 0.769 204 G HN 0.440 nan 8.290 nan 0.000 0.547 205 V N 1.084 120.994 119.914 -0.006 0.000 2.427 205 V HA -0.082 4.038 4.120 -0.000 0.000 0.248 205 V C 2.646 178.724 176.094 -0.027 0.000 1.051 205 V CA 1.145 63.437 62.300 -0.013 0.000 1.048 205 V CB -0.356 31.459 31.823 -0.014 0.000 0.666 205 V HN 0.325 nan 8.190 nan 0.000 0.456 206 L N 0.301 121.505 121.223 -0.032 0.000 2.046 206 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 206 L C 2.668 179.517 176.870 -0.036 0.000 1.077 206 L CA 2.026 56.842 54.840 -0.039 0.000 0.747 206 L CB -0.738 41.289 42.059 -0.052 0.000 0.896 206 L HN 0.305 nan 8.230 nan 0.000 0.432 207 R N -0.628 119.858 120.500 -0.023 0.000 2.081 207 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 207 R C 2.348 178.603 176.300 -0.075 0.000 1.131 207 R CA 1.306 57.386 56.100 -0.035 0.000 0.960 207 R CB -0.251 30.044 30.300 -0.008 0.000 0.856 207 R HN 0.373 nan 8.270 nan 0.000 0.436 208 L N 0.634 121.816 121.223 -0.069 0.000 2.046 208 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 208 L C 2.294 179.111 176.870 -0.088 0.000 1.077 208 L CA 1.473 56.257 54.840 -0.095 0.000 0.747 208 L CB -0.332 41.694 42.059 -0.054 0.000 0.896 208 L HN 0.145 nan 8.230 nan 0.000 0.432 209 K N 0.092 120.454 120.400 -0.064 0.000 2.097 209 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 209 K C 2.120 178.682 176.600 -0.063 0.000 1.049 209 K CA 1.219 57.470 56.287 -0.060 0.000 0.933 209 K CB -0.023 32.448 32.500 -0.049 0.000 0.717 209 K HN 0.270 nan 8.250 nan 0.000 0.442 210 K N 0.254 120.616 120.400 -0.064 0.000 2.103 210 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 210 K C 2.117 178.673 176.600 -0.074 0.000 1.052 210 K CA 1.098 57.349 56.287 -0.060 0.000 0.945 210 K CB 0.012 32.481 32.500 -0.053 0.000 0.722 210 K HN 0.140 nan 8.250 nan 0.000 0.443 211 M N 0.599 120.137 119.600 -0.104 0.000 2.156 211 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 211 M C 1.825 178.067 176.300 -0.096 0.000 1.067 211 M CA 1.415 56.640 55.300 -0.125 0.000 1.131 211 M CB -0.271 32.190 32.600 -0.231 0.000 1.368 211 M HN 0.049 nan 8.290 nan 0.000 0.416 212 D N 0.666 121.010 120.400 -0.093 0.000 2.178 212 D HA -0.171 4.469 4.640 -0.000 0.000 0.201 212 D C 1.885 178.150 176.300 -0.057 0.000 0.980 212 D CA 1.263 55.219 54.000 -0.072 0.000 0.842 212 D CB 0.020 40.775 40.800 -0.076 0.000 0.948 212 D HN 0.173 nan 8.370 nan 0.000 0.472 213 K N -0.376 119.990 120.400 -0.056 0.000 2.097 213 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 213 K C 1.457 178.034 176.600 -0.038 0.000 1.050 213 K CA 0.947 57.207 56.287 -0.045 0.000 0.938 213 K CB 0.095 32.569 32.500 -0.042 0.000 0.718 213 K HN 0.218 nan 8.250 nan 0.000 0.442 214 Q N 0.474 120.249 119.800 -0.041 0.000 2.222 214 Q HA 0.108 4.448 4.340 -0.000 0.000 0.206 214 Q C -0.755 175.227 176.000 -0.030 0.000 0.877 214 Q CA -0.266 55.517 55.803 -0.034 0.000 0.958 214 Q CB 0.534 29.250 28.738 -0.037 0.000 1.075 214 Q HN 0.279 nan 8.270 nan 0.000 0.483 215 N N 1.623 120.304 118.700 -0.031 0.000 2.714 215 N HA -0.204 4.536 4.740 -0.000 0.000 0.253 215 N C -0.302 175.198 175.510 -0.017 0.000 1.024 215 N CA 0.952 53.988 53.050 -0.022 0.000 0.726 215 N CB -0.714 37.764 38.487 -0.014 0.000 0.908 215 N HN 0.563 nan 8.380 nan 0.000 0.542 216 E N -0.308 119.877 120.200 -0.025 0.000 2.489 216 E HA 0.187 4.537 4.350 -0.000 0.000 0.204 216 E C 0.519 177.147 176.600 0.047 0.000 1.006 216 E CA -0.216 56.186 56.400 0.003 0.000 0.936 216 E CB 0.522 30.214 29.700 -0.014 0.000 1.002 216 E HN 0.356 nan 8.360 nan 0.000 0.488 217 L N 2.088 123.304 121.223 -0.011 0.000 2.513 217 L HA -0.016 4.324 4.340 -0.000 0.000 0.272 217 L C 1.063 177.921 176.870 -0.020 0.000 1.187 217 L CA 0.180 55.021 54.840 0.001 0.000 0.895 217 L CB 0.556 42.576 42.059 -0.064 0.000 1.147 217 L HN 0.190 nan 8.230 nan 0.000 0.483 218 L N 4.835 125.958 121.223 -0.166 0.000 2.529 218 L HA 0.143 4.483 4.340 -0.000 0.000 0.223 218 L C -0.119 176.719 176.870 -0.053 0.000 1.113 218 L CA 0.166 54.868 54.840 -0.228 0.000 0.861 218 L CB -0.079 41.745 42.059 -0.392 0.000 1.012 218 L HN 0.509 nan 8.230 nan 0.000 0.461 219 F N -4.402 115.621 119.950 0.121 0.000 2.779 219 F HA 0.464 4.991 4.527 -0.000 0.000 0.316 219 F C -0.086 175.787 175.800 0.121 0.000 1.164 219 F CA -1.468 56.594 58.000 0.102 0.000 0.924 219 F CB 0.046 39.092 39.000 0.077 0.000 1.348 219 F HN -0.445 nan 8.300 nan 0.000 0.467 220 T N 1.459 116.255 114.554 0.404 0.000 2.940 220 T HA 0.522 4.872 4.350 -0.000 0.000 0.309 220 T C -0.147 174.723 174.700 0.284 0.000 1.056 220 T CA 0.637 62.907 62.100 0.283 0.000 1.137 220 T CB 0.510 69.457 68.868 0.133 0.000 0.976 220 T HN 0.932 nan 8.240 nan 0.000 0.547 221 A N 3.423 126.367 122.820 0.206 0.000 2.359 221 A HA 0.710 5.030 4.320 -0.000 0.000 0.303 221 A C -0.520 177.124 177.584 0.100 0.000 1.066 221 A CA -0.752 51.377 52.037 0.155 0.000 0.730 221 A CB 0.853 19.924 19.000 0.117 0.000 1.211 221 A HN 0.831 nan 8.150 nan 0.000 0.439 222 I N 2.502 123.101 120.570 0.049 0.000 2.354 222 I HA 0.205 4.375 4.170 -0.000 0.000 0.292 222 I C -0.037 176.111 176.117 0.052 0.000 0.989 222 I CA -0.749 60.570 61.300 0.031 0.000 1.188 222 I CB 1.672 39.654 38.000 -0.029 0.000 1.342 222 I HN 0.668 nan 8.210 nan 0.000 0.457 223 N N 6.404 125.138 118.700 0.057 0.000 2.508 223 N HA 0.087 4.827 4.740 -0.000 0.000 0.253 223 N C 0.552 176.090 175.510 0.046 0.000 1.145 223 N CA 0.072 53.148 53.050 0.043 0.000 0.973 223 N CB 1.055 39.560 38.487 0.030 0.000 1.305 223 N HN 0.415 nan 8.380 nan 0.000 0.506 224 V N 2.869 122.814 119.914 0.052 0.000 2.591 224 V HA -0.109 4.011 4.120 -0.000 0.000 0.249 224 V C 2.310 178.429 176.094 0.042 0.000 1.053 224 V CA 0.961 63.298 62.300 0.061 0.000 1.068 224 V CB -0.613 31.262 31.823 0.086 0.000 0.689 224 V HN 0.710 nan 8.190 nan 0.000 0.462 225 N N 0.675 119.395 118.700 0.032 0.000 2.223 225 N HA -0.183 4.557 4.740 -0.000 0.000 0.185 225 N C 1.006 176.509 175.510 -0.011 0.000 1.016 225 N CA 1.459 54.517 53.050 0.012 0.000 0.863 225 N CB 0.000 38.492 38.487 0.008 0.000 0.983 225 N HN 0.411 nan 8.380 nan 0.000 0.429 226 D N 0.486 120.882 120.400 -0.007 0.000 2.336 226 D HA 0.140 4.780 4.640 -0.000 0.000 0.229 226 D C 0.014 176.298 176.300 -0.026 0.000 1.061 226 D CA 0.009 53.999 54.000 -0.017 0.000 0.875 226 D CB 0.086 40.883 40.800 -0.005 0.000 0.904 226 D HN 0.279 nan 8.370 nan 0.000 0.525 227 A N 0.173 122.975 122.820 -0.030 0.000 2.440 227 A HA 0.202 4.522 4.320 -0.000 0.000 0.251 227 A C 1.709 179.213 177.584 -0.134 0.000 1.089 227 A CA -0.435 51.571 52.037 -0.052 0.000 0.779 227 A CB 0.680 19.666 19.000 -0.024 0.000 1.022 227 A HN 0.019 nan 8.150 nan 0.000 0.492 228 V N 2.512 122.317 119.914 -0.182 0.000 2.252 228 V HA -0.268 3.852 4.120 -0.000 0.000 0.249 228 V C 2.655 178.406 176.094 -0.573 0.000 1.056 228 V CA 2.784 64.876 62.300 -0.345 0.000 1.022 228 V CB -1.444 30.098 31.823 -0.469 0.000 0.641 228 V HN 1.083 nan 8.190 nan 0.000 0.445 229 T N -2.752 111.462 114.554 -0.566 0.000 3.320 229 T HA -0.062 4.288 4.350 -0.000 0.000 0.258 229 T C 1.381 175.801 174.700 -0.467 0.000 1.176 229 T CA 0.967 62.577 62.100 -0.817 0.000 1.037 229 T CB 0.029 68.722 68.868 -0.291 0.000 0.958 229 T HN 0.395 nan 8.240 nan 0.000 0.545 230 K N 1.172 121.384 120.400 -0.313 0.000 2.431 230 K HA 0.069 4.389 4.320 -0.000 0.000 0.213 230 K C 2.393 178.910 176.600 -0.138 0.000 1.258 230 K CA 0.920 57.132 56.287 -0.126 0.000 0.845 230 K CB -0.264 32.212 32.500 -0.039 0.000 1.498 230 K HN 0.529 nan 8.250 nan 0.000 0.451 231 Q N 0.665 120.375 119.800 -0.149 0.000 2.124 231 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 231 Q C 1.408 177.299 176.000 -0.180 0.000 0.977 231 Q CA 1.200 56.925 55.803 -0.130 0.000 0.850 231 Q CB -0.026 28.648 28.738 -0.107 0.000 0.901 231 Q HN -0.054 nan 8.270 nan 0.000 0.429 232 K N -0.311 119.932 120.400 -0.262 0.000 2.365 232 K HA 0.023 4.343 4.320 -0.000 0.000 0.197 232 K C 1.444 177.955 176.600 -0.148 0.000 1.042 232 K CA 0.908 57.046 56.287 -0.249 0.000 0.987 232 K CB 0.131 32.462 32.500 -0.282 0.000 0.779 232 K HN 0.521 nan 8.250 nan 0.000 0.484 233 Y N -0.282 119.845 120.300 -0.288 0.000 2.439 233 Y HA -0.039 4.511 4.550 -0.000 0.000 0.281 233 Y C 2.332 178.131 175.900 -0.169 0.000 1.145 233 Y CA -0.305 57.669 58.100 -0.211 0.000 1.252 233 Y CB 0.065 38.288 38.460 -0.396 0.000 1.271 233 Y HN 0.001 nan 8.280 nan 0.000 0.516 234 D N 1.138 121.572 120.400 0.057 0.000 2.088 234 D HA -0.208 4.432 4.640 -0.000 0.000 0.191 234 D C 1.184 177.451 176.300 -0.055 0.000 0.992 234 D CA 1.675 55.696 54.000 0.034 0.000 0.831 234 D CB -0.441 40.414 40.800 0.092 0.000 0.973 234 D HN 0.375 nan 8.370 nan 0.000 0.447 235 N N -0.438 118.237 118.700 -0.042 0.000 2.289 235 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 235 N C 1.897 177.319 175.510 -0.147 0.000 1.016 235 N CA 0.741 53.760 53.050 -0.052 0.000 0.872 235 N CB 0.451 38.898 38.487 -0.067 0.000 0.973 235 N HN 0.136 nan 8.380 nan 0.000 0.433 236 V N 0.067 119.820 119.914 -0.268 0.000 2.398 236 V HA -0.103 4.017 4.120 -0.000 0.000 0.236 236 V C 1.523 177.426 176.094 -0.317 0.000 1.054 236 V CA 1.008 63.080 62.300 -0.381 0.000 1.060 236 V CB -0.884 30.537 31.823 -0.670 0.000 0.707 236 V HN 0.186 nan 8.190 nan 0.000 0.480 237 Y N 1.503 121.745 120.300 -0.096 0.000 2.293 237 Y HA -0.035 4.515 4.550 -0.000 0.000 0.291 237 Y C 2.558 178.354 175.900 -0.172 0.000 1.137 237 Y CA 0.909 58.945 58.100 -0.106 0.000 1.202 237 Y CB -0.754 37.643 38.460 -0.105 0.000 0.990 237 Y HN 0.332 nan 8.280 nan 0.000 0.537 238 G N -0.696 107.952 108.800 -0.253 0.000 2.404 238 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.215 238 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.215 238 G C 1.526 176.089 174.900 -0.562 0.000 1.174 238 G CA 1.238 45.863 45.100 -0.791 0.000 0.780 238 G HN 0.451 nan 8.290 nan 0.000 0.537 239 C N -0.055 119.063 119.300 -0.303 0.000 2.446 239 C HA 0.137 4.597 4.460 -0.000 0.000 0.279 239 C C 2.756 177.751 174.990 0.009 0.000 1.366 239 C CA 0.534 59.548 59.018 -0.005 0.000 1.763 239 C CB -0.777 26.978 27.740 0.024 0.000 1.929 239 C HN 0.553 nan 8.230 nan 0.000 0.509 240 R N 0.238 120.737 120.500 -0.002 0.000 2.120 240 R HA -0.191 4.149 4.340 -0.000 0.000 0.234 240 R C 2.021 178.357 176.300 0.059 0.000 1.123 240 R CA 1.987 58.109 56.100 0.035 0.000 0.975 240 R CB -0.399 29.949 30.300 0.080 0.000 0.866 240 R HN 0.766 nan 8.270 nan 0.000 0.446 241 H N -0.503 118.558 119.070 -0.015 0.000 2.344 241 H HA 0.062 4.618 4.556 -0.000 0.000 0.307 241 H C 2.009 177.354 175.328 0.028 0.000 1.057 241 H CA 1.801 57.852 56.048 0.006 0.000 1.373 241 H CB 0.086 29.854 29.762 0.010 0.000 1.421 241 H HN 0.271 nan 8.280 nan 0.000 0.532 242 S N 0.434 116.277 115.700 0.238 0.000 2.522 242 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 242 S C 2.000 176.640 174.600 0.067 0.000 0.986 242 S CA 0.728 59.042 58.200 0.191 0.000 0.929 242 S CB -0.261 63.130 63.200 0.318 0.000 0.769 242 S HN 0.389 nan 8.310 nan 0.000 0.529 243 L N 3.435 124.678 121.223 0.034 0.000 1.988 243 L HA 0.134 4.474 4.340 -0.000 0.000 0.207 243 L C -0.869 175.969 176.870 -0.054 0.000 1.071 243 L CA 1.685 56.521 54.840 -0.006 0.000 0.744 243 L CB -1.317 40.730 42.059 -0.020 0.000 0.893 243 L HN 0.100 nan 8.230 nan 0.000 0.433 244 P HA -0.182 nan 4.420 nan 0.000 0.218 244 P C 0.904 178.143 177.300 -0.103 0.000 1.149 244 P CA 1.686 64.715 63.100 -0.118 0.000 0.817 244 P CB -0.048 31.577 31.700 -0.126 0.000 0.785 245 D N 0.402 120.734 120.400 -0.112 0.000 2.117 245 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 245 D C 2.351 178.629 176.300 -0.036 0.000 0.987 245 D CA 1.858 55.804 54.000 -0.090 0.000 0.829 245 D CB -1.004 39.730 40.800 -0.110 0.000 0.961 245 D HN 0.085 nan 8.370 nan 0.000 0.460 246 G N 0.006 108.794 108.800 -0.020 0.000 2.402 246 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 246 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 246 G C 1.546 176.432 174.900 -0.022 0.000 1.162 246 G CA 0.522 45.616 45.100 -0.009 0.000 0.777 246 G HN 0.265 nan 8.290 nan 0.000 0.539 247 L N 0.384 121.587 121.223 -0.034 0.000 2.017 247 L HA 0.085 4.425 4.340 -0.000 0.000 0.208 247 L C 3.040 179.891 176.870 -0.032 0.000 1.073 247 L CA 1.414 56.236 54.840 -0.029 0.000 0.745 247 L CB -0.625 41.382 42.059 -0.086 0.000 0.894 247 L HN 0.226 nan 8.230 nan 0.000 0.432 248 M N -1.557 118.020 119.600 -0.038 0.000 2.117 248 M HA -0.201 4.279 4.480 -0.000 0.000 0.262 248 M C 2.330 178.616 176.300 -0.023 0.000 1.065 248 M CA 1.526 56.814 55.300 -0.021 0.000 1.114 248 M CB -0.338 32.248 32.600 -0.024 0.000 1.361 248 M HN 0.147 nan 8.290 nan 0.000 0.408 249 R N -0.019 120.467 120.500 -0.024 0.000 2.115 249 R HA -0.002 4.338 4.340 -0.000 0.000 0.226 249 R C 2.293 178.568 176.300 -0.040 0.000 1.100 249 R CA 1.298 57.387 56.100 -0.019 0.000 0.980 249 R CB -0.388 29.911 30.300 -0.002 0.000 0.875 249 R HN 0.348 nan 8.270 nan 0.000 0.445 250 A N 0.493 123.278 122.820 -0.059 0.000 1.930 250 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 250 A C 2.080 179.565 177.584 -0.165 0.000 1.176 250 A CA 1.806 53.789 52.037 -0.091 0.000 0.632 250 A CB -0.183 18.770 19.000 -0.078 0.000 0.819 250 A HN 0.452 nan 8.150 nan 0.000 0.445 251 T N -6.771 107.644 114.554 -0.231 0.000 2.964 251 T HA 0.170 4.520 4.350 -0.000 0.000 0.250 251 T C 0.350 174.861 174.700 -0.314 0.000 0.982 251 T CA 0.857 62.650 62.100 -0.512 0.000 0.959 251 T CB 0.244 68.473 68.868 -1.065 0.000 1.141 251 T HN 0.283 nan 8.240 nan 0.000 0.494 252 D N 0.935 121.287 120.400 -0.080 0.000 3.076 252 D HA -0.113 4.527 4.640 -0.000 0.000 0.218 252 D C -0.783 175.682 176.300 0.275 0.000 1.156 252 D CA 0.564 54.611 54.000 0.078 0.000 0.921 252 D CB -1.419 39.432 40.800 0.085 0.000 1.113 252 D HN 0.360 nan 8.370 nan 0.000 0.418 253 F N 0.305 120.325 119.950 0.116 0.000 2.410 253 F HA 0.337 4.864 4.527 -0.000 0.000 0.334 253 F C 1.132 177.027 175.800 0.159 0.000 1.134 253 F CA -1.131 56.963 58.000 0.156 0.000 1.227 253 F CB 0.167 39.319 39.000 0.253 0.000 1.194 253 F HN -0.137 nan 8.300 nan 0.000 0.571 254 L N 2.767 124.180 121.223 0.318 0.000 2.426 254 L HA 0.202 4.542 4.340 -0.000 0.000 0.271 254 L C 0.435 177.440 176.870 0.224 0.000 1.169 254 L CA 0.601 55.553 54.840 0.186 0.000 0.836 254 L CB 0.176 42.298 42.059 0.105 0.000 1.112 254 L HN 0.615 nan 8.230 nan 0.000 0.465 255 I N 0.838 121.456 120.570 0.080 0.000 3.445 255 I HA 0.078 4.248 4.170 -0.000 0.000 0.288 255 I C 0.756 176.879 176.117 0.011 0.000 1.198 255 I CA 0.039 61.319 61.300 -0.032 0.000 1.417 255 I CB 0.110 37.990 38.000 -0.199 0.000 1.205 255 I HN 0.586 nan 8.210 nan 0.000 0.448 256 S N 1.331 117.042 115.700 0.018 0.000 2.552 256 S HA 0.239 4.709 4.470 -0.000 0.000 0.289 256 S C 1.220 175.846 174.600 0.043 0.000 1.304 256 S CA 0.628 58.842 58.200 0.023 0.000 1.063 256 S CB 0.663 63.875 63.200 0.019 0.000 0.848 256 S HN 0.684 nan 8.310 nan 0.000 0.499 257 G N 1.900 110.725 108.800 0.042 0.000 2.212 257 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.266 257 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.266 257 G C 0.021 174.960 174.900 0.066 0.000 0.978 257 G CA 0.169 45.298 45.100 0.048 0.000 0.632 257 G HN 0.537 nan 8.290 nan 0.000 0.537 258 K N 0.193 120.650 120.400 0.094 0.000 2.098 258 K HA 0.580 4.900 4.320 -0.000 0.000 0.261 258 K C 0.632 177.308 176.600 0.127 0.000 0.987 258 K CA -0.798 55.574 56.287 0.141 0.000 0.916 258 K CB 1.267 33.959 32.500 0.319 0.000 1.039 258 K HN 0.264 nan 8.250 nan 0.000 0.455 259 I N 2.331 122.957 120.570 0.093 0.000 2.337 259 I HA 0.063 4.233 4.170 -0.000 0.000 0.291 259 I C -0.265 175.866 176.117 0.023 0.000 1.046 259 I CA -0.604 60.723 61.300 0.045 0.000 1.324 259 I CB 0.806 38.752 38.000 -0.091 0.000 1.409 259 I HN -0.024 nan 8.210 nan 0.000 0.494 260 V N 7.788 127.725 119.914 0.039 0.000 2.384 260 V HA 0.320 4.440 4.120 -0.000 0.000 0.287 260 V C -0.002 176.047 176.094 -0.074 0.000 1.020 260 V CA -0.675 61.612 62.300 -0.021 0.000 0.850 260 V CB 1.918 33.702 31.823 -0.064 0.000 0.987 260 V HN 0.360 nan 8.190 nan 0.000 0.436 261 V N 6.175 125.971 119.914 -0.195 0.000 2.347 261 V HA 0.481 4.601 4.120 -0.000 0.000 0.280 261 V C -0.203 175.873 176.094 -0.030 0.000 1.021 261 V CA -0.473 61.751 62.300 -0.126 0.000 0.847 261 V CB 1.516 33.185 31.823 -0.256 0.000 0.990 261 V HN 0.575 nan 8.190 nan 0.000 0.444 262 I N 3.919 124.486 120.570 -0.005 0.000 2.362 262 I HA 0.364 4.534 4.170 -0.000 0.000 0.289 262 I C -0.058 176.093 176.117 0.058 0.000 0.994 262 I CA -0.226 61.086 61.300 0.019 0.000 1.158 262 I CB 1.478 39.471 38.000 -0.012 0.000 1.315 262 I HN 0.551 nan 8.210 nan 0.000 0.451 263 C N 4.709 124.054 119.300 0.075 0.000 2.285 263 C HA 0.790 5.250 4.460 -0.000 0.000 0.335 263 C C 0.756 175.793 174.990 0.079 0.000 1.267 263 C CA -0.359 58.705 59.018 0.076 0.000 1.762 263 C CB -0.046 27.738 27.740 0.073 0.000 2.365 263 C HN 1.075 nan 8.230 nan 0.000 0.527 264 G N 2.534 111.391 108.800 0.094 0.000 3.209 264 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.686 264 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.686 264 G C -1.179 173.821 174.900 0.167 0.000 1.065 264 G CA -0.655 44.505 45.100 0.101 0.000 0.812 264 G HN 0.858 nan 8.290 nan 0.000 0.573 265 Y N 2.996 123.303 120.300 0.012 0.000 2.516 265 Y HA 0.541 5.091 4.550 -0.000 0.000 0.341 265 Y C 1.080 176.986 175.900 0.010 0.000 0.912 265 Y CA 0.266 58.376 58.100 0.018 0.000 1.167 265 Y CB 0.126 38.611 38.460 0.041 0.000 1.195 265 Y HN 0.913 nan 8.280 nan 0.000 0.610 266 G N 0.093 108.834 108.800 -0.098 0.000 2.695 266 G HA2 0.047 4.007 3.960 -0.000 0.000 0.213 266 G HA3 0.047 4.007 3.960 -0.000 0.000 0.213 266 G C 0.539 175.307 174.900 -0.220 0.000 1.406 266 G CA -0.017 45.006 45.100 -0.127 0.000 1.049 266 G HN 0.240 nan 8.290 nan 0.000 0.573 267 D N -0.774 119.529 120.400 -0.162 0.000 2.092 267 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 267 D C 2.744 178.937 176.300 -0.179 0.000 0.994 267 D CA 1.264 55.156 54.000 -0.180 0.000 0.828 267 D CB -0.360 40.358 40.800 -0.137 0.000 0.963 267 D HN 0.041 nan 8.370 nan 0.000 0.450 268 V N 1.164 121.007 119.914 -0.119 0.000 2.358 268 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 268 V C 2.610 178.647 176.094 -0.095 0.000 1.047 268 V CA 2.003 64.254 62.300 -0.082 0.000 1.035 268 V CB -1.018 30.786 31.823 -0.032 0.000 0.658 268 V HN 0.232 nan 8.190 nan 0.000 0.452 269 G N -0.316 108.419 108.800 -0.108 0.000 2.418 269 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 269 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 269 G C 1.670 176.464 174.900 -0.177 0.000 1.158 269 G CA 0.875 45.928 45.100 -0.077 0.000 0.771 269 G HN 0.465 nan 8.290 nan 0.000 0.545 270 K N 0.087 120.211 120.400 -0.460 0.000 2.063 270 K HA -0.057 4.263 4.320 -0.000 0.000 0.208 270 K C 2.764 179.279 176.600 -0.142 0.000 1.048 270 K CA 1.030 57.020 56.287 -0.494 0.000 0.928 270 K CB -0.398 31.776 32.500 -0.543 0.000 0.713 270 K HN 0.283 nan 8.250 nan 0.000 0.442 271 G N 0.889 109.601 108.800 -0.146 0.000 2.404 271 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.215 271 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.215 271 G C 1.656 176.539 174.900 -0.028 0.000 1.174 271 G CA 0.915 45.964 45.100 -0.085 0.000 0.780 271 G HN 0.311 nan 8.290 nan 0.000 0.537 272 C N 1.012 120.291 119.300 -0.035 0.000 2.432 272 C HA 0.130 4.590 4.460 -0.000 0.000 0.277 272 C C 3.557 178.528 174.990 -0.032 0.000 1.249 272 C CA 0.952 59.953 59.018 -0.028 0.000 1.725 272 C CB -0.989 26.734 27.740 -0.028 0.000 2.028 272 C HN 0.559 nan 8.230 nan 0.000 0.477 273 A N 1.302 124.114 122.820 -0.014 0.000 1.933 273 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 273 A C 2.299 179.933 177.584 0.084 0.000 1.175 273 A CA 2.348 54.343 52.037 -0.070 0.000 0.628 273 A CB -0.847 18.122 19.000 -0.052 0.000 0.814 273 A HN 0.731 nan 8.150 nan 0.000 0.444 274 S N 0.640 116.435 115.700 0.158 0.000 2.368 274 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 274 S C 2.174 176.835 174.600 0.102 0.000 1.030 274 S CA 1.920 60.227 58.200 0.178 0.000 0.999 274 S CB -0.969 62.312 63.200 0.136 0.000 0.844 274 S HN 0.954 nan 8.310 nan 0.000 0.459 275 S N 2.134 117.862 115.700 0.047 0.000 2.371 275 S HA 0.012 4.482 4.470 -0.000 0.000 0.224 275 S C 2.079 176.671 174.600 -0.013 0.000 1.029 275 S CA 1.138 59.345 58.200 0.012 0.000 0.978 275 S CB -0.639 62.554 63.200 -0.012 0.000 0.833 275 S HN 0.363 nan 8.310 nan 0.000 0.466 276 M N 1.933 121.509 119.600 -0.041 0.000 2.159 276 M HA 0.011 4.491 4.480 -0.000 0.000 0.263 276 M C 2.335 178.623 176.300 -0.019 0.000 1.063 276 M CA 1.604 56.859 55.300 -0.076 0.000 1.110 276 M CB -1.216 31.304 32.600 -0.134 0.000 1.374 276 M HN 0.508 nan 8.290 nan 0.000 0.411 277 K N 0.135 120.566 120.400 0.051 0.000 2.057 277 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 277 K C 2.003 178.653 176.600 0.082 0.000 1.049 277 K CA 1.584 57.954 56.287 0.137 0.000 0.931 277 K CB -0.354 32.339 32.500 0.322 0.000 0.714 277 K HN 0.373 nan 8.250 nan 0.000 0.440 278 G N 1.051 109.888 108.800 0.062 0.000 2.448 278 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.219 278 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.219 278 G C 1.374 176.284 174.900 0.016 0.000 1.127 278 G CA 0.446 45.567 45.100 0.036 0.000 0.766 278 G HN 0.233 nan 8.290 nan 0.000 0.552 279 L N -0.266 120.959 121.223 0.002 0.000 2.418 279 L HA 0.242 4.582 4.340 -0.000 0.000 0.218 279 L C 1.965 178.835 176.870 -0.000 0.000 1.125 279 L CA 0.607 55.441 54.840 -0.010 0.000 0.835 279 L CB 0.100 42.136 42.059 -0.037 0.000 0.953 279 L HN 0.392 nan 8.230 nan 0.000 0.454 280 G N -0.109 108.698 108.800 0.012 0.000 2.135 280 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.183 280 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.183 280 G C 0.231 175.145 174.900 0.023 0.000 1.004 280 G CA -0.111 45.002 45.100 0.021 0.000 0.677 280 G HN 0.435 nan 8.290 nan 0.000 0.512 281 A N -0.193 122.634 122.820 0.012 0.000 2.287 281 A HA 0.817 5.137 4.320 -0.000 0.000 0.273 281 A C 0.671 178.277 177.584 0.036 0.000 1.091 281 A CA -0.277 51.768 52.037 0.013 0.000 0.817 281 A CB 0.485 19.462 19.000 -0.037 0.000 1.069 281 A HN 0.439 nan 8.150 nan 0.000 0.492 282 R N 0.562 121.100 120.500 0.064 0.000 2.204 282 R HA 0.417 4.757 4.340 -0.000 0.000 0.341 282 R C -1.225 175.133 176.300 0.096 0.000 1.035 282 R CA -0.309 55.845 56.100 0.090 0.000 0.887 282 R CB 1.021 31.420 30.300 0.165 0.000 1.114 282 R HN 0.457 nan 8.270 nan 0.000 0.473 283 V N 4.793 124.688 119.914 -0.032 0.000 2.465 283 V HA 0.246 4.366 4.120 -0.000 0.000 0.279 283 V C -0.566 175.403 176.094 -0.209 0.000 1.045 283 V CA -0.438 61.759 62.300 -0.173 0.000 0.938 283 V CB 0.628 32.071 31.823 -0.634 0.000 0.986 283 V HN 0.541 nan 8.190 nan 0.000 0.467 284 Y N 4.305 124.501 120.300 -0.173 0.000 2.409 284 Y HA 0.649 5.199 4.550 0.000 0.000 0.343 284 Y C -0.018 175.807 175.900 -0.126 0.000 0.973 284 Y CA -1.008 57.028 58.100 -0.106 0.000 1.064 284 Y CB 1.791 40.208 38.460 -0.072 0.000 1.207 284 Y HN 0.348 nan 8.280 nan 0.000 0.452 285 I N 2.526 123.111 120.570 0.025 0.000 2.569 285 I HA 0.416 4.586 4.170 -0.000 0.000 0.296 285 I C -0.062 176.079 176.117 0.039 0.000 1.028 285 I CA -0.734 60.563 61.300 -0.006 0.000 1.082 285 I CB 2.012 39.951 38.000 -0.103 0.000 1.264 285 I HN 0.650 nan 8.210 nan 0.000 0.429 286 T N 1.889 116.474 114.554 0.052 0.000 2.856 286 T HA 0.769 5.119 4.350 -0.000 0.000 0.283 286 T C -0.456 174.278 174.700 0.056 0.000 1.008 286 T CA -0.601 61.529 62.100 0.051 0.000 0.997 286 T CB 2.868 71.765 68.868 0.048 0.000 0.992 286 T HN 0.516 nan 8.240 nan 0.000 0.454 287 E N 0.964 121.194 120.200 0.049 0.000 2.412 287 E HA 0.357 4.707 4.350 -0.000 0.000 0.279 287 E C 0.321 176.947 176.600 0.044 0.000 0.984 287 E CA -0.641 55.794 56.400 0.057 0.000 0.788 287 E CB 2.111 31.849 29.700 0.064 0.000 1.277 287 E HN 0.846 nan 8.360 nan 0.000 0.455 288 I N -2.419 118.177 120.570 0.043 0.000 4.035 288 I HA 0.372 4.542 4.170 -0.000 0.000 0.321 288 I C 0.566 176.700 176.117 0.030 0.000 1.289 288 I CA -0.084 61.236 61.300 0.033 0.000 1.236 288 I CB 0.637 38.654 38.000 0.029 0.000 1.076 288 I HN 0.075 nan 8.210 nan 0.000 0.418 289 D N 3.743 124.165 120.400 0.036 0.000 2.317 289 D HA 0.229 4.869 4.640 -0.000 0.000 0.234 289 D C -1.461 174.860 176.300 0.034 0.000 1.112 289 D CA -2.562 51.457 54.000 0.032 0.000 0.840 289 D CB 1.760 42.581 40.800 0.035 0.000 1.078 289 D HN 0.014 nan 8.370 nan 0.000 0.486 290 P HA -0.147 nan 4.420 nan 0.000 0.218 290 P C 1.766 179.079 177.300 0.022 0.000 1.148 290 P CA 0.854 63.965 63.100 0.019 0.000 0.822 290 P CB 0.554 32.262 31.700 0.013 0.000 0.784 291 I N -0.359 120.227 120.570 0.026 0.000 2.202 291 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 291 I C 2.684 178.834 176.117 0.056 0.000 1.091 291 I CA 1.299 62.617 61.300 0.029 0.000 1.368 291 I CB -0.878 37.135 38.000 0.022 0.000 1.058 291 I HN 0.025 nan 8.210 nan 0.000 0.410 292 C N 0.843 120.193 119.300 0.082 0.000 2.440 292 C HA -0.065 4.395 4.460 -0.000 0.000 0.278 292 C C 3.196 178.268 174.990 0.137 0.000 1.295 292 C CA 0.725 59.843 59.018 0.167 0.000 1.738 292 C CB -1.230 26.622 27.740 0.186 0.000 1.987 292 C HN 0.585 nan 8.230 nan 0.000 0.492 293 A N 0.647 123.501 122.820 0.058 0.000 1.902 293 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 293 A C 2.008 179.569 177.584 -0.037 0.000 1.181 293 A CA 1.606 53.640 52.037 -0.005 0.000 0.623 293 A CB -0.578 18.424 19.000 0.003 0.000 0.818 293 A HN 0.612 nan 8.150 nan 0.000 0.443 294 I N -0.668 119.897 120.570 -0.009 0.000 2.315 294 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 294 I C 2.739 178.839 176.117 -0.028 0.000 1.117 294 I CA 1.244 62.531 61.300 -0.022 0.000 1.404 294 I CB -0.397 37.598 38.000 -0.007 0.000 1.071 294 I HN 0.450 nan 8.210 nan 0.000 0.419 295 Q N 0.639 120.453 119.800 0.023 0.000 2.084 295 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 295 Q C 2.502 178.477 176.000 -0.041 0.000 0.978 295 Q CA 1.757 57.604 55.803 0.073 0.000 0.844 295 Q CB -0.274 28.613 28.738 0.249 0.000 0.898 295 Q HN 0.579 nan 8.270 nan 0.000 0.426 296 A N 0.359 123.014 122.820 -0.275 0.000 1.902 296 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 296 A C 2.320 179.744 177.584 -0.266 0.000 1.181 296 A CA 1.374 53.069 52.037 -0.571 0.000 0.623 296 A CB -0.652 17.913 19.000 -0.725 0.000 0.818 296 A HN 0.216 nan 8.150 nan 0.000 0.443 297 V N -0.055 119.753 119.914 -0.176 0.000 2.427 297 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 297 V C 2.427 178.419 176.094 -0.170 0.000 1.051 297 V CA 1.740 63.955 62.300 -0.140 0.000 1.048 297 V CB -0.643 31.126 31.823 -0.090 0.000 0.666 297 V HN 0.501 nan 8.190 nan 0.000 0.456 298 M N -0.472 119.038 119.600 -0.150 0.000 2.632 298 M HA -0.016 4.464 4.480 -0.000 0.000 0.256 298 M C 1.527 177.702 176.300 -0.209 0.000 1.080 298 M CA 1.031 56.248 55.300 -0.138 0.000 1.084 298 M CB -0.824 31.727 32.600 -0.082 0.000 1.439 298 M HN 0.325 nan 8.290 nan 0.000 0.509 299 E N -0.513 119.469 120.200 -0.362 0.000 2.481 299 E HA 0.283 4.633 4.350 -0.000 0.000 0.198 299 E C 1.318 177.466 176.600 -0.754 0.000 1.027 299 E CA 0.386 56.442 56.400 -0.573 0.000 0.900 299 E CB 0.274 29.494 29.700 -0.800 0.000 0.993 299 E HN 0.558 nan 8.360 nan 0.000 0.482 300 G N 1.091 109.591 108.800 -0.501 0.000 2.157 300 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.239 300 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.239 300 G C 0.145 174.926 174.900 -0.200 0.000 0.982 300 G CA -0.224 44.682 45.100 -0.323 0.000 0.650 300 G HN 0.254 nan 8.290 nan 0.000 0.527 301 F N 0.340 120.190 119.950 -0.167 0.000 2.377 301 F HA 0.514 5.041 4.527 0.000 0.000 0.328 301 F C 0.764 176.411 175.800 -0.255 0.000 1.094 301 F CA -1.172 56.693 58.000 -0.224 0.000 1.093 301 F CB 1.032 39.887 39.000 -0.241 0.000 1.214 301 F HN 0.015 nan 8.300 nan 0.000 0.518 302 N N 1.657 120.268 118.700 -0.149 0.000 2.426 302 N HA 0.232 4.972 4.740 -0.000 0.000 0.257 302 N C -1.233 174.219 175.510 -0.097 0.000 1.002 302 N CA -0.246 52.677 53.050 -0.211 0.000 0.942 302 N CB 1.220 39.422 38.487 -0.475 0.000 1.112 302 N HN 0.288 nan 8.380 nan 0.000 0.499 303 V N 4.422 124.313 119.914 -0.038 0.000 2.406 303 V HA 0.444 4.564 4.120 -0.000 0.000 0.272 303 V C 0.418 176.539 176.094 0.045 0.000 1.043 303 V CA -0.402 61.897 62.300 -0.001 0.000 0.915 303 V CB 0.709 32.519 31.823 -0.023 0.000 0.988 303 V HN 0.530 nan 8.190 nan 0.000 0.466 304 V N 1.950 121.913 119.914 0.082 0.000 3.202 304 V HA 0.821 4.941 4.120 -0.000 0.000 0.306 304 V C -0.192 175.944 176.094 0.069 0.000 1.283 304 V CA -0.641 61.714 62.300 0.093 0.000 1.065 304 V CB 2.102 34.019 31.823 0.156 0.000 1.079 304 V HN 0.770 nan 8.190 nan 0.000 0.448 305 T N -0.499 114.088 114.554 0.056 0.000 2.909 305 T HA 0.501 4.851 4.350 -0.000 0.000 0.286 305 T C 0.825 175.537 174.700 0.021 0.000 1.002 305 T CA -0.079 62.043 62.100 0.036 0.000 1.074 305 T CB 1.494 70.385 68.868 0.038 0.000 0.984 305 T HN 0.962 nan 8.240 nan 0.000 0.495 306 L N 1.426 122.633 121.223 -0.027 0.000 2.043 306 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 306 L C 2.132 178.968 176.870 -0.057 0.000 1.075 306 L CA 1.952 56.737 54.840 -0.092 0.000 0.752 306 L CB -0.980 40.873 42.059 -0.343 0.000 0.891 306 L HN 0.779 nan 8.230 nan 0.000 0.432 307 D N -0.583 119.814 120.400 -0.004 0.000 2.190 307 D HA -0.239 4.401 4.640 -0.000 0.000 0.200 307 D C 1.829 178.158 176.300 0.049 0.000 0.992 307 D CA 1.614 55.658 54.000 0.074 0.000 0.854 307 D CB -0.009 40.854 40.800 0.104 0.000 0.936 307 D HN 0.613 nan 8.370 nan 0.000 0.462 308 E N -0.365 119.857 120.200 0.037 0.000 2.216 308 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 308 E C 1.657 178.261 176.600 0.006 0.000 0.988 308 E CA 0.266 56.685 56.400 0.032 0.000 0.834 308 E CB 0.370 30.097 29.700 0.046 0.000 0.772 308 E HN 0.168 nan 8.360 nan 0.000 0.479 309 I N -0.678 119.889 120.570 -0.006 0.000 4.403 309 I HA -0.005 4.165 4.170 -0.000 0.000 0.331 309 I C 1.464 177.607 176.117 0.044 0.000 1.327 309 I CA 0.123 61.377 61.300 -0.076 0.000 1.175 309 I CB 0.953 38.809 38.000 -0.239 0.000 1.165 309 I HN -0.146 nan 8.210 nan 0.000 0.413 310 V N 0.923 120.908 119.914 0.118 0.000 2.794 310 V HA -0.259 3.861 4.120 -0.000 0.000 0.260 310 V C 1.686 177.875 176.094 0.158 0.000 1.103 310 V CA 2.425 64.832 62.300 0.179 0.000 1.125 310 V CB -0.522 31.303 31.823 0.003 0.000 0.702 310 V HN 0.422 nan 8.190 nan 0.000 0.494 311 D N -0.545 119.906 120.400 0.085 0.000 2.271 311 D HA -0.017 4.623 4.640 -0.000 0.000 0.206 311 D C 1.907 178.236 176.300 0.048 0.000 0.967 311 D CA 0.816 54.848 54.000 0.054 0.000 0.867 311 D CB 0.119 40.933 40.800 0.023 0.000 0.960 311 D HN 0.541 nan 8.370 nan 0.000 0.509 312 K N 0.490 120.901 120.400 0.018 0.000 2.373 312 K HA 0.193 4.513 4.320 -0.000 0.000 0.200 312 K C 1.124 177.683 176.600 -0.070 0.000 1.054 312 K CA -0.191 56.077 56.287 -0.032 0.000 1.065 312 K CB 1.323 33.777 32.500 -0.076 0.000 0.886 312 K HN -0.111 nan 8.250 nan 0.000 0.546 313 G N 1.767 110.533 108.800 -0.057 0.000 2.353 313 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.239 313 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.239 313 G C -0.058 174.689 174.900 -0.255 0.000 1.295 313 G CA -0.160 44.733 45.100 -0.345 0.000 0.884 313 G HN 0.061 nan 8.290 nan 0.000 0.537 314 D N 0.773 120.993 120.400 -0.299 0.000 2.324 314 D HA 0.067 4.707 4.640 -0.000 0.000 0.212 314 D C -0.019 175.970 176.300 -0.519 0.000 0.984 314 D CA 0.957 54.776 54.000 -0.302 0.000 0.885 314 D CB 0.433 41.104 40.800 -0.215 0.000 0.996 314 D HN 0.319 nan 8.370 nan 0.000 0.505 315 F N -0.166 119.615 119.950 -0.283 0.000 2.556 315 F HA 0.413 4.940 4.527 0.000 0.000 0.314 315 F C -0.777 174.751 175.800 -0.452 0.000 1.106 315 F CA -0.986 56.907 58.000 -0.179 0.000 0.911 315 F CB 1.671 40.620 39.000 -0.086 0.000 1.190 315 F HN -0.350 nan 8.300 nan 0.000 0.448 316 F N 4.056 124.107 119.950 0.169 0.000 2.496 316 F HA 0.618 5.145 4.527 0.000 0.000 0.341 316 F C -0.808 175.042 175.800 0.083 0.000 1.134 316 F CA -0.719 57.332 58.000 0.086 0.000 0.968 316 F CB 1.373 40.393 39.000 0.033 0.000 1.205 316 F HN 0.105 nan 8.300 nan 0.000 0.436 317 I N 2.408 123.090 120.570 0.187 0.000 2.436 317 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 317 I C -0.103 176.076 176.117 0.104 0.000 1.010 317 I CA -0.556 60.818 61.300 0.124 0.000 1.098 317 I CB 2.169 40.208 38.000 0.065 0.000 1.266 317 I HN 0.537 nan 8.210 nan 0.000 0.434 318 T N 1.572 116.181 114.554 0.092 0.000 2.767 318 T HA 0.437 4.787 4.350 -0.000 0.000 0.284 318 T C 0.017 174.755 174.700 0.063 0.000 0.973 318 T CA -0.604 61.543 62.100 0.079 0.000 0.996 318 T CB 0.764 69.678 68.868 0.077 0.000 0.927 318 T HN 0.671 nan 8.240 nan 0.000 0.456 319 C N 2.569 121.903 119.300 0.056 0.000 2.913 319 C HA 0.317 4.777 4.460 -0.000 0.000 0.246 319 C C 2.108 177.117 174.990 0.032 0.000 1.857 319 C CA -0.195 58.845 59.018 0.038 0.000 1.690 319 C CB -1.691 26.063 27.740 0.023 0.000 3.235 319 C HN 1.081 nan 8.230 nan 0.000 0.475 320 T N -2.680 111.902 114.554 0.047 0.000 3.031 320 T HA 0.288 4.638 4.350 -0.000 0.000 0.254 320 T C 1.763 176.459 174.700 -0.006 0.000 1.060 320 T CA 1.395 63.513 62.100 0.030 0.000 1.135 320 T CB -0.158 68.738 68.868 0.046 0.000 0.896 320 T HN 1.248 nan 8.240 nan 0.000 0.472 321 G N 1.605 110.411 108.800 0.009 0.000 2.160 321 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.251 321 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.251 321 G C 0.009 174.726 174.900 -0.304 0.000 1.008 321 G CA 0.313 45.312 45.100 -0.168 0.000 0.724 321 G HN 0.780 nan 8.290 nan 0.000 0.514 322 N N -0.971 117.715 118.700 -0.024 0.000 2.813 322 N HA 0.756 5.496 4.740 -0.000 0.000 0.320 322 N C 0.243 175.894 175.510 0.235 0.000 1.315 322 N CA 0.190 53.264 53.050 0.040 0.000 0.871 322 N CB 1.930 40.440 38.487 0.039 0.000 1.241 322 N HN 0.750 nan 8.380 nan 0.000 0.602 323 V N -1.963 118.050 119.914 0.164 0.000 2.815 323 V HA 0.538 4.658 4.120 -0.000 0.000 0.314 323 V C -0.611 175.540 176.094 0.094 0.000 1.064 323 V CA -0.771 61.624 62.300 0.158 0.000 0.952 323 V CB 1.432 33.333 31.823 0.130 0.000 1.020 323 V HN 0.714 nan 8.190 nan 0.000 0.439 324 D N 1.222 121.665 120.400 0.073 0.000 2.689 324 D HA -0.151 4.489 4.640 -0.000 0.000 0.237 324 D C 0.946 177.289 176.300 0.073 0.000 1.148 324 D CA 1.067 55.101 54.000 0.058 0.000 0.656 324 D CB -0.830 39.997 40.800 0.046 0.000 1.050 324 D HN 0.549 nan 8.370 nan 0.000 0.426 325 V N -0.536 119.422 119.914 0.073 0.000 2.407 325 V HA -0.048 4.072 4.120 -0.000 0.000 0.245 325 V C 1.543 177.678 176.094 0.068 0.000 1.041 325 V CA 0.974 63.315 62.300 0.068 0.000 1.040 325 V CB 0.199 32.059 31.823 0.062 0.000 0.671 325 V HN 0.331 nan 8.190 nan 0.000 0.455 326 I N 1.215 121.825 120.570 0.067 0.000 2.388 326 I HA 0.259 4.429 4.170 -0.000 0.000 0.281 326 I C 0.077 176.270 176.117 0.126 0.000 1.046 326 I CA -0.232 61.117 61.300 0.082 0.000 1.187 326 I CB 0.898 38.889 38.000 -0.015 0.000 1.351 326 I HN 0.165 nan 8.210 nan 0.000 0.472 327 K N 3.977 124.530 120.400 0.256 0.000 2.118 327 K HA 0.233 4.553 4.320 -0.000 0.000 0.240 327 K C 1.051 177.613 176.600 -0.064 0.000 1.035 327 K CA -0.770 55.534 56.287 0.028 0.000 0.899 327 K CB 1.253 33.705 32.500 -0.081 0.000 1.085 327 K HN 0.438 nan 8.250 nan 0.000 0.498 328 L N 2.202 123.356 121.223 -0.115 0.000 2.042 328 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 328 L C 2.143 178.880 176.870 -0.223 0.000 1.076 328 L CA 2.141 56.882 54.840 -0.165 0.000 0.749 328 L CB -0.785 41.166 42.059 -0.180 0.000 0.893 328 L HN 0.789 nan 8.230 nan 0.000 0.432 329 E N -1.878 118.163 120.200 -0.265 0.000 2.265 329 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 329 E C 1.760 178.202 176.600 -0.263 0.000 0.996 329 E CA 1.176 57.406 56.400 -0.284 0.000 0.832 329 E CB -0.380 29.131 29.700 -0.316 0.000 0.756 329 E HN 0.596 nan 8.360 nan 0.000 0.491 330 H N 0.861 119.853 119.070 -0.130 0.000 2.355 330 H HA 0.096 4.652 4.556 0.000 0.000 0.303 330 H C 2.359 177.559 175.328 -0.213 0.000 1.061 330 H CA 0.961 56.913 56.048 -0.161 0.000 1.368 330 H CB -0.150 29.509 29.762 -0.172 0.000 1.412 330 H HN 0.169 nan 8.280 nan 0.000 0.523 331 L N 0.315 121.488 121.223 -0.083 0.000 2.042 331 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 331 L C 2.139 178.938 176.870 -0.120 0.000 1.076 331 L CA 0.617 55.377 54.840 -0.134 0.000 0.749 331 L CB -0.393 41.606 42.059 -0.101 0.000 0.893 331 L HN 0.125 nan 8.230 nan 0.000 0.432 332 L N -0.408 120.735 121.223 -0.134 0.000 2.362 332 L HA -0.154 4.186 4.340 -0.000 0.000 0.219 332 L C 2.030 178.856 176.870 -0.073 0.000 1.134 332 L CA 1.603 56.372 54.840 -0.118 0.000 0.807 332 L CB -0.656 41.301 42.059 -0.171 0.000 0.927 332 L HN 0.179 nan 8.230 nan 0.000 0.447 333 K N -1.476 118.883 120.400 -0.069 0.000 2.358 333 K HA 0.220 4.540 4.320 -0.000 0.000 0.197 333 K C 0.458 177.039 176.600 -0.032 0.000 1.025 333 K CA -0.153 56.111 56.287 -0.038 0.000 1.104 333 K CB 0.272 32.761 32.500 -0.019 0.000 0.855 333 K HN 0.234 nan 8.250 nan 0.000 0.531 334 M N 2.385 121.949 119.600 -0.061 0.000 2.240 334 M HA 0.050 4.530 4.480 -0.000 0.000 0.333 334 M C 0.545 176.851 176.300 0.010 0.000 1.110 334 M CA 0.126 55.406 55.300 -0.033 0.000 1.173 334 M CB 0.462 33.005 32.600 -0.095 0.000 1.458 334 M HN 0.010 nan 8.290 nan 0.000 0.458 335 K N 1.882 122.309 120.400 0.045 0.000 2.149 335 K HA 0.122 4.442 4.320 -0.000 0.000 0.245 335 K C -0.139 176.470 176.600 0.015 0.000 1.024 335 K CA -0.629 55.672 56.287 0.024 0.000 0.899 335 K CB 0.395 32.907 32.500 0.020 0.000 1.038 335 K HN 0.666 nan 8.250 nan 0.000 0.496 336 N N 1.026 119.726 118.700 0.000 0.000 2.513 336 N HA -0.085 4.655 4.740 -0.000 0.000 0.268 336 N C -0.401 175.101 175.510 -0.014 0.000 1.180 336 N CA 0.411 53.459 53.050 -0.003 0.000 0.948 336 N CB 0.104 38.585 38.487 -0.009 0.000 1.083 336 N HN 0.827 nan 8.380 nan 0.000 0.455 337 N N 0.469 119.174 118.700 0.008 0.000 2.925 337 N HA -0.188 4.552 4.740 -0.000 0.000 0.244 337 N C -0.969 174.559 175.510 0.031 0.000 1.000 337 N CA 0.975 54.041 53.050 0.028 0.000 0.895 337 N CB -1.294 37.160 38.487 -0.054 0.000 1.119 337 N HN 0.706 nan 8.380 nan 0.000 0.569 338 A N -0.272 122.561 122.820 0.022 0.000 2.445 338 A HA 0.496 4.816 4.320 -0.000 0.000 0.242 338 A C 0.428 178.041 177.584 0.048 0.000 1.075 338 A CA 0.164 52.219 52.037 0.030 0.000 0.777 338 A CB 0.675 19.773 19.000 0.162 0.000 1.013 338 A HN 0.183 nan 8.150 nan 0.000 0.493 339 V N 2.728 122.634 119.914 -0.013 0.000 2.513 339 V HA 0.489 4.609 4.120 -0.000 0.000 0.299 339 V C -0.272 175.945 176.094 0.204 0.000 1.035 339 V CA -0.416 61.914 62.300 0.050 0.000 0.889 339 V CB 1.516 33.331 31.823 -0.013 0.000 0.988 339 V HN 0.642 nan 8.190 nan 0.000 0.440 340 V N 3.227 123.243 119.914 0.170 0.000 2.588 340 V HA 0.958 5.078 4.120 -0.000 0.000 0.304 340 V C 0.354 176.526 176.094 0.130 0.000 1.042 340 V CA -0.163 62.248 62.300 0.184 0.000 0.877 340 V CB 1.715 33.599 31.823 0.102 0.000 0.996 340 V HN 1.059 nan 8.190 nan 0.000 0.425 341 G N 2.517 111.399 108.800 0.137 0.000 2.718 341 G HA2 0.559 4.519 3.960 -0.000 0.000 0.295 341 G HA3 0.559 4.519 3.960 -0.000 0.000 0.295 341 G C -1.794 173.153 174.900 0.078 0.000 1.421 341 G CA -0.723 44.431 45.100 0.090 0.000 0.902 341 G HN 0.636 nan 8.290 nan 0.000 0.501 342 N N 0.104 118.834 118.700 0.050 0.000 2.321 342 N HA 0.541 5.281 4.740 -0.000 0.000 0.299 342 N C -0.111 175.417 175.510 0.029 0.000 1.048 342 N CA -0.855 52.219 53.050 0.040 0.000 0.836 342 N CB 1.900 40.398 38.487 0.018 0.000 1.269 342 N HN 0.353 nan 8.380 nan 0.000 0.486 343 I N 1.542 122.131 120.570 0.031 0.000 4.225 343 I HA 0.411 4.581 4.170 -0.000 0.000 0.327 343 I C 0.895 177.020 176.117 0.014 0.000 1.422 343 I CA -0.267 61.044 61.300 0.018 0.000 1.150 343 I CB 0.011 38.026 38.000 0.026 0.000 1.192 343 I HN 0.671 nan 8.210 nan 0.000 0.440 344 G N 0.652 109.469 108.800 0.029 0.000 2.908 344 G HA2 0.086 4.046 3.960 -0.000 0.000 0.188 344 G HA3 0.086 4.046 3.960 -0.000 0.000 0.188 344 G C -0.162 174.759 174.900 0.034 0.000 1.903 344 G CA 0.165 45.294 45.100 0.048 0.000 0.883 344 G HN 0.582 nan 8.290 nan 0.000 0.515 345 H N -2.577 116.408 119.070 -0.140 0.000 2.572 345 H HA 0.606 5.162 4.556 0.000 0.000 0.359 345 H C 0.189 175.394 175.328 -0.206 0.000 1.134 345 H CA -1.121 54.724 56.048 -0.339 0.000 1.187 345 H CB 1.516 31.025 29.762 -0.421 0.000 1.597 345 H HN 0.300 nan 8.280 nan 0.000 0.524 346 F N 0.526 120.366 119.950 -0.183 0.000 3.093 346 F HA -0.418 4.109 4.527 0.000 0.000 0.240 346 F C 1.383 177.029 175.800 -0.257 0.000 1.138 346 F CA 1.931 59.776 58.000 -0.259 0.000 1.408 346 F CB -0.907 37.901 39.000 -0.319 0.000 0.627 346 F HN 0.944 nan 8.300 nan 0.000 0.532 347 D N -1.444 118.941 120.400 -0.024 0.000 2.673 347 D HA 0.188 4.828 4.640 -0.000 0.000 0.278 347 D C 0.364 176.601 176.300 -0.105 0.000 1.393 347 D CA 0.148 54.099 54.000 -0.081 0.000 0.805 347 D CB -0.085 40.667 40.800 -0.079 0.000 1.110 347 D HN 0.367 nan 8.370 nan 0.000 0.476 348 D N 1.406 121.707 120.400 -0.164 0.000 2.240 348 D HA -0.059 4.581 4.640 -0.000 0.000 0.206 348 D C 1.795 178.083 176.300 -0.021 0.000 0.963 348 D CA 0.524 54.466 54.000 -0.096 0.000 0.863 348 D CB 0.352 41.103 40.800 -0.081 0.000 0.973 348 D HN 0.358 nan 8.370 nan 0.000 0.501 349 E N 0.186 120.377 120.200 -0.015 0.000 2.118 349 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 349 E C 0.551 177.170 176.600 0.033 0.000 0.992 349 E CA 0.722 57.158 56.400 0.060 0.000 0.804 349 E CB 0.338 30.088 29.700 0.084 0.000 0.741 349 E HN 0.321 nan 8.360 nan 0.000 0.458 350 I N 1.103 121.672 120.570 -0.001 0.000 2.474 350 I HA 0.081 4.251 4.170 -0.000 0.000 0.294 350 I C 0.209 176.303 176.117 -0.037 0.000 1.005 350 I CA -0.441 60.853 61.300 -0.011 0.000 1.113 350 I CB 1.803 39.794 38.000 -0.015 0.000 1.289 350 I HN -0.162 nan 8.210 nan 0.000 0.436 351 Q N 4.353 124.135 119.800 -0.031 0.000 3.141 351 Q HA 0.078 4.418 4.340 -0.000 0.000 0.304 351 Q C 1.153 177.111 176.000 -0.071 0.000 1.305 351 Q CA -0.173 55.603 55.803 -0.044 0.000 0.929 351 Q CB 0.258 28.979 28.738 -0.027 0.000 1.701 351 Q HN 0.635 nan 8.270 nan 0.000 0.483 352 V N 0.629 120.462 119.914 -0.136 0.000 2.332 352 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 352 V C 1.881 177.786 176.094 -0.315 0.000 1.055 352 V CA 1.685 63.817 62.300 -0.279 0.000 1.038 352 V CB -0.310 31.243 31.823 -0.450 0.000 0.651 352 V HN 0.642 nan 8.190 nan 0.000 0.450 353 N N 0.275 118.846 118.700 -0.215 0.000 2.043 353 N HA -0.201 4.539 4.740 -0.000 0.000 0.193 353 N C 1.880 177.411 175.510 0.036 0.000 1.037 353 N CA 1.703 54.695 53.050 -0.096 0.000 0.851 353 N CB -0.289 38.162 38.487 -0.060 0.000 1.027 353 N HN 0.528 nan 8.380 nan 0.000 0.422 354 E N 0.892 121.108 120.200 0.026 0.000 2.085 354 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 354 E C 1.927 178.607 176.600 0.132 0.000 0.994 354 E CA 0.470 56.913 56.400 0.071 0.000 0.801 354 E CB -0.343 29.373 29.700 0.026 0.000 0.743 354 E HN 0.205 nan 8.360 nan 0.000 0.453 355 L N -0.530 120.765 121.223 0.121 0.000 2.027 355 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 355 L C 1.727 178.815 176.870 0.363 0.000 1.074 355 L CA 1.575 56.528 54.840 0.189 0.000 0.745 355 L CB -0.366 41.801 42.059 0.180 0.000 0.898 355 L HN 0.049 nan 8.230 nan 0.000 0.433 356 F N 0.174 120.160 119.950 0.060 0.000 2.333 356 F HA -0.095 4.432 4.527 0.000 0.000 0.300 356 F C 1.901 177.750 175.800 0.081 0.000 1.083 356 F CA 0.794 58.832 58.000 0.064 0.000 1.395 356 F CB -0.732 38.296 39.000 0.046 0.000 1.056 356 F HN 0.298 nan 8.300 nan 0.000 0.529 357 N N -1.505 117.361 118.700 0.277 0.000 2.238 357 N HA -0.056 4.684 4.740 -0.000 0.000 0.222 357 N C -0.322 175.296 175.510 0.180 0.000 1.133 357 N CA -0.033 53.126 53.050 0.182 0.000 0.854 357 N CB 0.028 38.600 38.487 0.142 0.000 1.041 357 N HN 0.153 nan 8.380 nan 0.000 0.510 358 Y N 3.155 123.498 120.300 0.073 0.000 2.304 358 Y HA 0.072 4.622 4.550 0.000 0.000 0.327 358 Y C 0.652 176.571 175.900 0.032 0.000 1.209 358 Y CA -1.080 57.047 58.100 0.046 0.000 1.299 358 Y CB 0.682 39.169 38.460 0.045 0.000 1.249 358 Y HN -0.028 nan 8.280 nan 0.000 0.519 359 K N 3.233 123.272 120.400 -0.602 0.000 2.416 359 K HA 0.404 4.723 4.320 -0.000 0.000 0.283 359 K C 0.694 177.123 176.600 -0.285 0.000 1.037 359 K CA 0.424 56.468 56.287 -0.404 0.000 0.995 359 K CB 0.089 32.331 32.500 -0.430 0.000 0.938 359 K HN 1.001 nan 8.250 nan 0.000 0.475 360 G N 2.807 111.546 108.800 -0.102 0.000 2.136 360 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.242 360 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.242 360 G C -0.133 174.800 174.900 0.055 0.000 0.989 360 G CA -0.210 44.876 45.100 -0.024 0.000 0.682 360 G HN 0.570 nan 8.290 nan 0.000 0.522 361 I N 1.100 121.717 120.570 0.079 0.000 2.359 361 I HA 0.329 4.499 4.170 -0.000 0.000 0.294 361 I C 0.430 176.602 176.117 0.092 0.000 0.987 361 I CA -0.751 60.614 61.300 0.107 0.000 1.225 361 I CB 1.289 39.372 38.000 0.138 0.000 1.366 361 I HN 0.283 nan 8.210 nan 0.000 0.466 362 H N 7.120 126.165 119.070 -0.041 0.000 2.504 362 H HA 0.525 5.081 4.556 0.000 0.000 0.322 362 H C -1.071 174.182 175.328 -0.124 0.000 1.055 362 H CA -0.703 55.304 56.048 -0.069 0.000 1.231 362 H CB 1.408 31.144 29.762 -0.043 0.000 1.417 362 H HN 0.450 nan 8.280 nan 0.000 0.472 363 I N 4.860 125.264 120.570 -0.277 0.000 2.339 363 I HA 0.161 4.331 4.170 -0.000 0.000 0.290 363 I C -0.262 175.576 176.117 -0.465 0.000 0.994 363 I CA -0.230 60.802 61.300 -0.447 0.000 1.191 363 I CB 1.684 39.380 38.000 -0.506 0.000 1.343 363 I HN 0.588 nan 8.210 nan 0.000 0.458 364 E N 6.348 126.277 120.200 -0.451 0.000 2.216 364 E HA 0.170 4.520 4.350 -0.000 0.000 0.260 364 E C -0.854 175.647 176.600 -0.165 0.000 0.880 364 E CA -0.646 55.567 56.400 -0.312 0.000 0.765 364 E CB 1.299 30.778 29.700 -0.368 0.000 1.174 364 E HN 0.530 nan 8.360 nan 0.000 0.417 365 N N 4.041 122.682 118.700 -0.098 0.000 2.442 365 N HA 0.012 4.752 4.740 -0.000 0.000 0.265 365 N C 0.428 175.912 175.510 -0.044 0.000 1.138 365 N CA 0.083 53.099 53.050 -0.057 0.000 0.956 365 N CB 1.398 39.867 38.487 -0.029 0.000 1.067 365 N HN 0.269 nan 8.380 nan 0.000 0.474 366 V N 4.095 123.984 119.914 -0.042 0.000 2.492 366 V HA 0.012 4.132 4.120 -0.000 0.000 0.241 366 V C 0.655 176.733 176.094 -0.027 0.000 1.041 366 V CA 1.285 63.566 62.300 -0.032 0.000 1.057 366 V CB -0.308 31.493 31.823 -0.036 0.000 0.711 366 V HN 0.847 nan 8.190 nan 0.000 0.468 367 K N -1.176 119.203 120.400 -0.035 0.000 2.672 367 K HA 0.404 4.724 4.320 -0.000 0.000 0.295 367 K C -3.317 173.255 176.600 -0.047 0.000 1.042 367 K CA -1.770 54.498 56.287 -0.032 0.000 0.869 367 K CB 0.933 33.413 32.500 -0.032 0.000 1.541 367 K HN -0.231 nan 8.250 nan 0.000 0.396 368 P HA 0.000 nan 4.420 nan 0.000 0.261 368 P C -0.896 176.323 177.300 -0.135 0.000 1.183 368 P CA 0.751 63.807 63.100 -0.074 0.000 0.761 368 P CB 0.421 32.096 31.700 -0.042 0.000 0.785 369 Q N -0.561 119.099 119.800 -0.233 0.000 2.406 369 Q HA -0.150 4.190 4.340 -0.000 0.000 0.236 369 Q C -0.651 175.252 176.000 -0.162 0.000 0.799 369 Q CA 1.065 56.674 55.803 -0.323 0.000 1.286 369 Q CB -2.167 26.353 28.738 -0.363 0.000 1.615 369 Q HN 0.277 nan 8.270 nan 0.000 0.621 370 V N 0.903 120.756 119.914 -0.101 0.000 2.447 370 V HA 0.472 4.592 4.120 -0.000 0.000 0.292 370 V C -0.287 175.784 176.094 -0.038 0.000 1.021 370 V CA -0.824 61.438 62.300 -0.063 0.000 0.850 370 V CB 2.074 33.853 31.823 -0.074 0.000 1.005 370 V HN 0.075 nan 8.190 nan 0.000 0.426 371 D N 3.367 123.763 120.400 -0.006 0.000 2.340 371 D HA 0.508 5.148 4.640 -0.000 0.000 0.240 371 D C -0.554 175.727 176.300 -0.031 0.000 1.001 371 D CA -0.705 53.285 54.000 -0.016 0.000 0.888 371 D CB 3.011 43.830 40.800 0.033 0.000 1.310 371 D HN 0.365 nan 8.370 nan 0.000 0.474 372 R N 1.518 121.966 120.500 -0.086 0.000 2.393 372 R HA 0.457 4.797 4.340 -0.000 0.000 0.315 372 R C -1.181 175.024 176.300 -0.157 0.000 0.952 372 R CA -0.630 55.420 56.100 -0.084 0.000 0.842 372 R CB 0.645 30.901 30.300 -0.072 0.000 1.163 372 R HN 0.256 nan 8.270 nan 0.000 0.450 373 I N 2.924 123.431 120.570 -0.106 0.000 2.354 373 I HA 0.222 4.392 4.170 -0.000 0.000 0.292 373 I C 0.010 176.089 176.117 -0.064 0.000 0.989 373 I CA -0.074 61.150 61.300 -0.128 0.000 1.188 373 I CB 2.216 40.178 38.000 -0.063 0.000 1.342 373 I HN 0.515 nan 8.210 nan 0.000 0.457 374 T N 7.146 121.669 114.554 -0.050 0.000 2.728 374 T HA 0.511 4.861 4.350 -0.000 0.000 0.296 374 T C 0.291 175.019 174.700 0.046 0.000 0.940 374 T CA -0.469 61.645 62.100 0.023 0.000 1.013 374 T CB 0.128 69.054 68.868 0.098 0.000 0.912 374 T HN 0.245 nan 8.240 nan 0.000 0.484 375 L N 5.014 126.261 121.223 0.040 0.000 2.466 375 L HA 0.243 4.583 4.340 -0.000 0.000 0.257 375 L C -1.146 175.765 176.870 0.068 0.000 1.189 375 L CA -2.188 52.682 54.840 0.051 0.000 0.813 375 L CB 0.417 42.489 42.059 0.023 0.000 1.118 375 L HN 0.361 nan 8.230 nan 0.000 0.471 376 P HA -0.172 nan 4.420 nan 0.000 0.217 376 P C 0.682 178.016 177.300 0.058 0.000 1.148 376 P CA 1.233 64.390 63.100 0.095 0.000 0.828 376 P CB -0.032 31.759 31.700 0.151 0.000 0.783 377 N N -1.502 117.225 118.700 0.045 0.000 2.461 377 N HA 0.039 4.779 4.740 -0.000 0.000 0.188 377 N C 1.268 176.793 175.510 0.025 0.000 1.134 377 N CA 0.983 54.050 53.050 0.029 0.000 0.878 377 N CB -0.706 37.793 38.487 0.021 0.000 0.972 377 N HN 0.225 nan 8.380 nan 0.000 0.456 378 G N -0.192 108.627 108.800 0.030 0.000 2.234 378 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.235 378 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.235 378 G C -0.211 174.703 174.900 0.024 0.000 0.997 378 G CA -0.180 44.936 45.100 0.028 0.000 0.623 378 G HN 0.454 nan 8.290 nan 0.000 0.514 379 N N 1.425 120.137 118.700 0.019 0.000 2.492 379 N HA 0.402 5.142 4.740 -0.000 0.000 0.262 379 N C 0.047 175.566 175.510 0.015 0.000 1.202 379 N CA 0.492 53.550 53.050 0.014 0.000 0.926 379 N CB 0.648 39.141 38.487 0.009 0.000 1.078 379 N HN 0.461 nan 8.380 nan 0.000 0.454 380 K N 2.447 122.855 120.400 0.014 0.000 2.339 380 K HA 0.447 4.767 4.320 -0.000 0.000 0.264 380 K C 0.061 176.671 176.600 0.018 0.000 0.986 380 K CA -0.509 55.785 56.287 0.011 0.000 0.866 380 K CB 1.139 33.646 32.500 0.011 0.000 1.103 380 K HN 0.552 nan 8.250 nan 0.000 0.441 381 I N -0.261 120.318 120.570 0.016 0.000 2.822 381 I HA 0.564 4.734 4.170 -0.000 0.000 0.312 381 I C -0.507 175.630 176.117 0.034 0.000 1.011 381 I CA -1.203 60.115 61.300 0.031 0.000 1.105 381 I CB 1.295 39.311 38.000 0.027 0.000 1.291 381 I HN 0.411 nan 8.210 nan 0.000 0.474 382 I N 3.549 124.148 120.570 0.048 0.000 2.378 382 I HA 0.438 4.608 4.170 -0.000 0.000 0.291 382 I C -0.749 175.400 176.117 0.053 0.000 0.992 382 I CA -0.925 60.396 61.300 0.034 0.000 1.154 382 I CB 1.986 39.991 38.000 0.008 0.000 1.315 382 I HN 0.323 nan 8.210 nan 0.000 0.448 383 V N 7.160 127.115 119.914 0.068 0.000 2.495 383 V HA 0.446 4.566 4.120 -0.000 0.000 0.298 383 V C -0.041 176.090 176.094 0.061 0.000 1.031 383 V CA -0.623 61.734 62.300 0.094 0.000 0.871 383 V CB 1.979 33.915 31.823 0.189 0.000 0.988 383 V HN 0.466 nan 8.190 nan 0.000 0.432 384 L N 3.753 125.000 121.223 0.040 0.000 2.309 384 L HA 0.613 4.953 4.340 -0.000 0.000 0.282 384 L C 1.112 177.980 176.870 -0.003 0.000 1.036 384 L CA -0.542 54.301 54.840 0.005 0.000 0.806 384 L CB 1.387 43.452 42.059 0.010 0.000 1.220 384 L HN 0.903 nan 8.230 nan 0.000 0.429 385 A N 3.201 125.983 122.820 -0.065 0.000 2.771 385 A HA -0.276 4.044 4.320 -0.000 0.000 0.294 385 A C 1.144 178.777 177.584 0.082 0.000 1.500 385 A CA 1.226 53.208 52.037 -0.091 0.000 0.829 385 A CB -1.582 17.429 19.000 0.019 0.000 0.998 385 A HN 0.946 nan 8.150 nan 0.000 0.526 386 R N -3.286 117.239 120.500 0.042 0.000 3.405 386 R HA -0.230 4.110 4.340 -0.000 0.000 0.258 386 R C 1.410 177.666 176.300 -0.073 0.000 1.030 386 R CA 1.169 57.257 56.100 -0.019 0.000 0.691 386 R CB -2.317 28.007 30.300 0.040 0.000 1.093 386 R HN 2.398 nan 8.270 nan 0.000 0.448 387 G N -0.726 108.055 108.800 -0.033 0.000 2.176 387 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.253 387 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.253 387 G C 0.235 175.130 174.900 -0.008 0.000 0.979 387 G CA 0.512 45.589 45.100 -0.040 0.000 0.641 387 G HN 0.418 nan 8.290 nan 0.000 0.530 388 R N -0.514 120.013 120.500 0.045 0.000 2.691 388 R HA 0.618 4.958 4.340 -0.000 0.000 0.259 388 R C 0.922 177.254 176.300 0.054 0.000 1.048 388 R CA -1.055 55.076 56.100 0.052 0.000 1.086 388 R CB 0.665 31.028 30.300 0.104 0.000 1.166 388 R HN 0.173 nan 8.270 nan 0.000 0.526 389 L N 3.719 124.958 121.223 0.026 0.000 2.806 389 L HA -0.175 4.165 4.340 -0.000 0.000 0.282 389 L C 1.647 178.528 176.870 0.019 0.000 1.166 389 L CA 0.045 54.887 54.840 0.003 0.000 0.969 389 L CB -0.331 41.703 42.059 -0.040 0.000 1.304 389 L HN 0.613 nan 8.230 nan 0.000 0.474 390 L N 2.327 123.559 121.223 0.014 0.000 2.179 390 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 390 L C 1.917 178.789 176.870 0.003 0.000 1.096 390 L CA 1.741 56.589 54.840 0.013 0.000 0.779 390 L CB -0.830 41.242 42.059 0.020 0.000 0.922 390 L HN 0.708 nan 8.230 nan 0.000 0.443 391 N N 0.076 118.775 118.700 -0.002 0.000 2.244 391 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 391 N C 1.741 177.240 175.510 -0.018 0.000 1.016 391 N CA 1.415 54.468 53.050 0.004 0.000 0.866 391 N CB -0.452 38.054 38.487 0.031 0.000 0.980 391 N HN 0.443 nan 8.380 nan 0.000 0.430 392 L N -0.602 120.581 121.223 -0.066 0.000 2.513 392 L HA 0.307 4.647 4.340 -0.000 0.000 0.222 392 L C 2.350 179.220 176.870 0.000 0.000 1.096 392 L CA 0.359 55.145 54.840 -0.090 0.000 0.857 392 L CB 0.166 42.059 42.059 -0.277 0.000 1.026 392 L HN 0.396 nan 8.230 nan 0.000 0.469 393 G N -1.507 107.310 108.800 0.029 0.000 2.510 393 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.212 393 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.212 393 G C 1.292 176.191 174.900 -0.002 0.000 1.151 393 G CA 0.506 45.644 45.100 0.063 0.000 0.817 393 G HN 0.366 nan 8.290 nan 0.000 0.534 394 C N 0.307 119.601 119.300 -0.010 0.000 2.780 394 C HA 0.736 5.196 4.460 -0.000 0.000 0.267 394 C C 1.607 176.602 174.990 0.009 0.000 1.266 394 C CA 0.059 59.066 59.018 -0.019 0.000 1.709 394 C CB -0.701 27.022 27.740 -0.028 0.000 1.975 394 C HN 0.583 nan 8.230 nan 0.000 0.582 395 A N 0.708 123.543 122.820 0.026 0.000 3.886 395 A HA 0.635 4.955 4.320 -0.000 0.000 0.217 395 A C 0.667 178.294 177.584 0.071 0.000 0.876 395 A CA 0.715 52.783 52.037 0.052 0.000 0.726 395 A CB -0.324 18.707 19.000 0.052 0.000 1.479 395 A HN 0.289 nan 8.150 nan 0.000 0.792 396 T N -2.306 112.306 114.554 0.097 0.000 3.228 396 T HA 0.522 4.872 4.350 -0.000 0.000 0.278 396 T C 0.999 175.749 174.700 0.084 0.000 1.014 396 T CA 1.127 63.291 62.100 0.107 0.000 0.904 396 T CB -0.655 68.309 68.868 0.161 0.000 1.110 396 T HN 2.538 nan 8.240 nan 0.000 0.541 397 G N 2.076 110.906 108.800 0.050 0.000 2.692 397 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 397 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 397 G C -0.566 174.432 174.900 0.163 0.000 1.340 397 G CA -0.496 44.606 45.100 0.004 0.000 0.896 397 G HN 0.735 nan 8.290 nan 0.000 0.570 398 H N 1.811 120.901 119.070 0.033 0.000 2.929 398 H HA 0.346 4.902 4.556 0.000 0.000 0.358 398 H C -1.349 173.963 175.328 -0.027 0.000 1.111 398 H CA -0.230 55.830 56.048 0.019 0.000 1.409 398 H CB -0.130 29.626 29.762 -0.011 0.000 1.373 398 H HN 0.530 nan 8.280 nan 0.000 0.610 399 P HA 0.071 nan 4.420 nan 0.000 0.274 399 P C 0.222 177.533 177.300 0.019 0.000 1.237 399 P CA -0.201 62.841 63.100 -0.097 0.000 0.793 399 P CB 0.828 32.296 31.700 -0.386 0.000 0.977 400 A N 2.083 124.932 122.820 0.048 0.000 1.948 400 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 400 A C 2.002 179.618 177.584 0.053 0.000 1.177 400 A CA 1.563 53.635 52.037 0.060 0.000 0.636 400 A CB -1.790 17.254 19.000 0.073 0.000 0.815 400 A HN 0.585 nan 8.150 nan 0.000 0.449 401 F N 0.086 120.023 119.950 -0.022 0.000 2.171 401 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 401 F C 2.247 178.071 175.800 0.039 0.000 1.090 401 F CA 1.785 59.784 58.000 -0.002 0.000 1.293 401 F CB 0.014 39.018 39.000 0.006 0.000 1.013 401 F HN 0.051 nan 8.300 nan 0.000 0.486 402 V N -0.158 119.886 119.914 0.217 0.000 2.323 402 V HA -0.279 3.841 4.120 -0.000 0.000 0.244 402 V C 2.307 178.470 176.094 0.115 0.000 1.041 402 V CA 1.443 63.897 62.300 0.256 0.000 1.025 402 V CB -0.458 31.442 31.823 0.128 0.000 0.656 402 V HN 0.236 nan 8.190 nan 0.000 0.451 403 M N -0.182 119.383 119.600 -0.059 0.000 2.446 403 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 403 M C 2.378 178.426 176.300 -0.421 0.000 1.066 403 M CA 1.364 56.437 55.300 -0.378 0.000 1.087 403 M CB -1.683 30.619 32.600 -0.496 0.000 1.406 403 M HN 0.436 nan 8.290 nan 0.000 0.459 404 S N -0.000 115.553 115.700 -0.245 0.000 2.383 404 S HA -0.086 4.384 4.470 -0.000 0.000 0.227 404 S C 1.789 176.260 174.600 -0.215 0.000 1.026 404 S CA 0.967 59.036 58.200 -0.217 0.000 0.981 404 S CB -0.163 62.848 63.200 -0.315 0.000 0.818 404 S HN 0.394 nan 8.310 nan 0.000 0.472 405 F N 1.749 121.604 119.950 -0.158 0.000 2.113 405 F HA -0.034 4.493 4.527 -0.000 0.000 0.297 405 F C 2.908 178.694 175.800 -0.023 0.000 1.103 405 F CA 1.338 59.283 58.000 -0.092 0.000 1.248 405 F CB -0.763 38.207 39.000 -0.050 0.000 0.999 405 F HN 0.157 nan 8.300 nan 0.000 0.475 406 S N 0.082 115.841 115.700 0.100 0.000 2.356 406 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 406 S C 1.741 176.445 174.600 0.174 0.000 1.032 406 S CA 1.185 59.417 58.200 0.052 0.000 1.005 406 S CB -0.625 62.514 63.200 -0.101 0.000 0.867 406 S HN 0.180 nan 8.310 nan 0.000 0.449 407 F N 0.989 120.975 119.950 0.059 0.000 2.502 407 F HA 0.044 4.571 4.527 -0.000 0.000 0.298 407 F C 2.442 178.212 175.800 -0.049 0.000 1.111 407 F CA -1.044 56.965 58.000 0.014 0.000 1.445 407 F CB -1.520 37.478 39.000 -0.004 0.000 1.081 407 F HN 0.260 nan 8.300 nan 0.000 0.558 408 C N 0.032 119.406 119.300 0.124 0.000 2.466 408 C HA -0.126 4.334 4.460 -0.000 0.000 0.278 408 C C 2.512 177.464 174.990 -0.064 0.000 1.288 408 C CA 0.960 59.942 59.018 -0.059 0.000 1.722 408 C CB -1.355 26.412 27.740 0.044 0.000 2.017 408 C HN 0.460 nan 8.230 nan 0.000 0.488 409 N N 0.090 118.868 118.700 0.130 0.000 2.244 409 N HA -0.134 4.606 4.740 -0.000 0.000 0.183 409 N C 1.940 177.542 175.510 0.153 0.000 1.016 409 N CA 0.837 54.004 53.050 0.194 0.000 0.866 409 N CB -0.130 38.452 38.487 0.159 0.000 0.980 409 N HN 0.495 nan 8.380 nan 0.000 0.430 410 Q N 0.153 120.036 119.800 0.139 0.000 2.046 410 Q HA -0.063 4.277 4.340 -0.000 0.000 0.200 410 Q C 1.943 177.975 176.000 0.053 0.000 0.975 410 Q CA 1.390 57.268 55.803 0.124 0.000 0.836 410 Q CB -0.647 28.199 28.738 0.181 0.000 0.896 410 Q HN 0.405 nan 8.270 nan 0.000 0.428 411 T N 0.941 115.472 114.554 -0.038 0.000 2.720 411 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 411 T C 1.688 176.329 174.700 -0.099 0.000 1.037 411 T CA 1.117 63.134 62.100 -0.138 0.000 1.144 411 T CB -0.432 68.263 68.868 -0.288 0.000 0.864 411 T HN 0.241 nan 8.240 nan 0.000 0.444 412 F N 1.161 121.102 119.950 -0.015 0.000 2.234 412 F HA -0.022 4.505 4.527 0.000 0.000 0.299 412 F C 2.689 178.490 175.800 0.002 0.000 1.087 412 F CA 0.352 58.331 58.000 -0.035 0.000 1.340 412 F CB -0.225 38.763 39.000 -0.019 0.000 1.031 412 F HN 0.154 nan 8.300 nan 0.000 0.500 413 A N -0.336 122.601 122.820 0.195 0.000 1.898 413 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 413 A C 2.171 179.812 177.584 0.096 0.000 1.181 413 A CA 1.117 53.227 52.037 0.123 0.000 0.620 413 A CB -0.497 18.558 19.000 0.092 0.000 0.819 413 A HN 0.243 nan 8.150 nan 0.000 0.442 414 Q N -0.488 119.360 119.800 0.080 0.000 2.079 414 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 414 Q C 2.152 178.223 176.000 0.118 0.000 0.974 414 Q CA 0.836 56.682 55.803 0.072 0.000 0.840 414 Q CB -0.496 28.256 28.738 0.023 0.000 0.898 414 Q HN 0.503 nan 8.270 nan 0.000 0.430 415 L N 1.027 122.310 121.223 0.101 0.000 2.012 415 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 415 L C 1.999 178.990 176.870 0.201 0.000 1.073 415 L CA 1.944 56.863 54.840 0.132 0.000 0.748 415 L CB -1.199 40.894 42.059 0.057 0.000 0.891 415 L HN 0.240 nan 8.230 nan 0.000 0.431 416 D N -0.814 119.699 120.400 0.189 0.000 2.144 416 D HA -0.191 4.449 4.640 -0.000 0.000 0.199 416 D C 2.160 178.612 176.300 0.253 0.000 0.984 416 D CA 0.610 54.737 54.000 0.210 0.000 0.834 416 D CB 0.196 41.129 40.800 0.221 0.000 0.955 416 D HN 0.038 nan 8.370 nan 0.000 0.465 417 L N 0.158 121.507 121.223 0.210 0.000 2.056 417 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 417 L C 1.931 178.933 176.870 0.221 0.000 1.078 417 L CA 1.369 56.319 54.840 0.182 0.000 0.749 417 L CB -0.770 41.339 42.059 0.084 0.000 0.901 417 L HN 0.389 nan 8.230 nan 0.000 0.433 418 W N -0.149 121.177 121.300 0.043 0.000 2.418 418 W HA -0.167 4.493 4.660 -0.000 0.000 0.292 418 W C 1.996 178.537 176.519 0.036 0.000 1.213 418 W CA 0.990 58.350 57.345 0.025 0.000 1.283 418 W CB -0.008 29.458 29.460 0.011 0.000 1.119 418 W HN 0.278 nan 8.180 nan 0.000 0.542 419 Q N -0.157 119.732 119.800 0.147 0.000 2.369 419 Q HA -0.081 4.259 4.340 -0.000 0.000 0.206 419 Q C 0.907 176.883 176.000 -0.040 0.000 0.963 419 Q CA 0.784 56.608 55.803 0.035 0.000 0.894 419 Q CB -0.041 28.775 28.738 0.130 0.000 0.965 419 Q HN 0.169 nan 8.270 nan 0.000 0.475 420 N N 0.258 118.951 118.700 -0.011 0.000 2.275 420 N HA 0.015 4.755 4.740 -0.000 0.000 0.236 420 N C 0.562 176.039 175.510 -0.056 0.000 1.154 420 N CA 0.114 53.141 53.050 -0.040 0.000 0.866 420 N CB 0.596 39.065 38.487 -0.030 0.000 1.093 420 N HN 0.318 nan 8.380 nan 0.000 0.515 421 K N -0.224 120.095 120.400 -0.135 0.000 2.211 421 K HA -0.005 4.315 4.320 -0.000 0.000 0.203 421 K C 0.135 176.649 176.600 -0.145 0.000 1.050 421 K CA 1.122 57.316 56.287 -0.156 0.000 0.945 421 K CB 0.188 32.492 32.500 -0.326 0.000 0.732 421 K HN -0.194 nan 8.250 nan 0.000 0.451 422 D N 1.545 121.849 120.400 -0.161 0.000 2.340 422 D HA 0.016 4.656 4.640 -0.000 0.000 0.217 422 D C 0.272 176.520 176.300 -0.087 0.000 1.081 422 D CA 0.479 54.406 54.000 -0.123 0.000 0.842 422 D CB 0.653 41.372 40.800 -0.136 0.000 0.934 422 D HN 0.477 nan 8.370 nan 0.000 0.511 423 T N -1.959 112.545 114.554 -0.083 0.000 2.841 423 T HA 0.341 4.691 4.350 -0.000 0.000 0.276 423 T C 0.365 175.026 174.700 -0.065 0.000 1.003 423 T CA -1.007 61.047 62.100 -0.077 0.000 0.995 423 T CB 1.151 69.961 68.868 -0.097 0.000 1.260 423 T HN 0.079 nan 8.240 nan 0.000 0.581 424 N N -0.893 117.765 118.700 -0.070 0.000 2.535 424 N HA 0.206 4.946 4.740 -0.000 0.000 0.294 424 N C 0.933 176.385 175.510 -0.096 0.000 1.408 424 N CA -0.784 52.235 53.050 -0.051 0.000 0.927 424 N CB 0.578 39.050 38.487 -0.026 0.000 1.276 424 N HN 0.579 nan 8.380 nan 0.000 0.505 425 K N 0.526 120.806 120.400 -0.201 0.000 2.167 425 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 425 K C -0.489 175.789 176.600 -0.536 0.000 1.052 425 K CA 0.787 56.833 56.287 -0.401 0.000 0.956 425 K CB 0.179 32.310 32.500 -0.614 0.000 0.735 425 K HN 0.296 nan 8.250 nan 0.000 0.451 426 Y N 1.197 121.378 120.300 -0.198 0.000 2.341 426 Y HA 0.252 4.802 4.550 -0.000 0.000 0.338 426 Y C -0.069 175.826 175.900 -0.009 0.000 0.965 426 Y CA -1.264 56.644 58.100 -0.319 0.000 1.108 426 Y CB 2.002 40.241 38.460 -0.368 0.000 1.180 426 Y HN -0.006 nan 8.280 nan 0.000 0.458 427 E N 0.892 121.333 120.200 0.402 0.000 2.803 427 E HA 0.237 4.587 4.350 -0.000 0.000 0.250 427 E C -0.651 176.157 176.600 0.346 0.000 1.102 427 E CA -1.073 55.521 56.400 0.323 0.000 1.017 427 E CB 0.545 30.414 29.700 0.282 0.000 1.346 427 E HN 0.483 nan 8.360 nan 0.000 0.532 428 N N 1.572 120.403 118.700 0.218 0.000 3.254 428 N HA 0.123 4.863 4.740 -0.000 0.000 0.308 428 N C -1.067 174.512 175.510 0.114 0.000 1.281 428 N CA 0.370 53.518 53.050 0.163 0.000 1.212 428 N CB -0.052 38.492 38.487 0.095 0.000 1.478 428 N HN 0.223 nan 8.380 nan 0.000 0.548 429 K N -1.125 119.375 120.400 0.166 0.000 2.399 429 K HA 0.517 4.837 4.320 -0.000 0.000 0.260 429 K C -0.827 175.740 176.600 -0.055 0.000 1.049 429 K CA -0.940 55.325 56.287 -0.037 0.000 0.890 429 K CB 1.728 34.083 32.500 -0.241 0.000 1.430 429 K HN -0.224 nan 8.250 nan 0.000 0.459 430 V N 2.214 122.013 119.914 -0.192 0.000 2.406 430 V HA 0.305 4.425 4.120 -0.000 0.000 0.272 430 V C -1.072 174.879 176.094 -0.238 0.000 1.043 430 V CA -0.314 61.924 62.300 -0.103 0.000 0.915 430 V CB -0.095 31.683 31.823 -0.075 0.000 0.988 430 V HN 0.512 nan 8.190 nan 0.000 0.466 431 Y N 4.438 124.743 120.300 0.008 0.000 2.621 431 Y HA 0.780 5.330 4.550 -0.000 0.000 0.334 431 Y C -0.257 175.661 175.900 0.030 0.000 1.074 431 Y CA -1.143 56.985 58.100 0.046 0.000 1.149 431 Y CB 1.549 40.067 38.460 0.097 0.000 1.302 431 Y HN 0.349 nan 8.280 nan 0.000 0.501 432 L N 1.003 122.373 121.223 0.244 0.000 2.341 432 L HA 0.505 4.845 4.340 -0.000 0.000 0.267 432 L C -0.842 176.118 176.870 0.151 0.000 1.009 432 L CA -0.682 54.245 54.840 0.145 0.000 0.819 432 L CB 1.631 43.748 42.059 0.097 0.000 1.323 432 L HN 0.437 nan 8.230 nan 0.000 0.425 433 L N 3.842 125.122 121.223 0.096 0.000 2.397 433 L HA 0.344 4.684 4.340 -0.000 0.000 0.271 433 L C -1.670 175.221 176.870 0.035 0.000 1.148 433 L CA -1.551 53.330 54.840 0.068 0.000 0.825 433 L CB 0.342 42.424 42.059 0.038 0.000 1.117 433 L HN 0.473 nan 8.230 nan 0.000 0.456 434 P HA -0.016 nan 4.420 nan 0.000 0.269 434 P C 0.066 177.335 177.300 -0.052 0.000 1.217 434 P CA -0.410 62.705 63.100 0.025 0.000 0.783 434 P CB 0.901 32.670 31.700 0.116 0.000 0.898 435 K N 1.072 121.489 120.400 0.028 0.000 2.063 435 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 435 K C 2.095 178.681 176.600 -0.024 0.000 1.048 435 K CA 1.686 57.986 56.287 0.023 0.000 0.928 435 K CB -0.940 31.601 32.500 0.069 0.000 0.713 435 K HN 0.695 nan 8.250 nan 0.000 0.442 436 H N 0.109 119.155 119.070 -0.040 0.000 2.422 436 H HA -0.082 4.474 4.556 -0.000 0.000 0.298 436 H C 2.059 177.337 175.328 -0.084 0.000 1.098 436 H CA 1.041 57.049 56.048 -0.067 0.000 1.315 436 H CB -0.584 29.130 29.762 -0.080 0.000 1.382 436 H HN 0.120 nan 8.280 nan 0.000 0.523 437 L N 0.493 121.207 121.223 -0.849 0.000 2.093 437 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 437 L C 2.450 179.170 176.870 -0.251 0.000 1.085 437 L CA 1.211 55.673 54.840 -0.630 0.000 0.755 437 L CB -0.347 41.336 42.059 -0.628 0.000 0.904 437 L HN 0.186 nan 8.230 nan 0.000 0.435 438 D N 0.235 120.538 120.400 -0.162 0.000 2.097 438 D HA -0.185 4.455 4.640 -0.000 0.000 0.195 438 D C 2.108 178.392 176.300 -0.027 0.000 0.989 438 D CA 1.222 55.178 54.000 -0.074 0.000 0.827 438 D CB 0.100 40.848 40.800 -0.087 0.000 0.966 438 D HN 0.367 nan 8.370 nan 0.000 0.456 439 E N 0.302 120.497 120.200 -0.009 0.000 2.150 439 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 439 E C 1.997 178.620 176.600 0.039 0.000 0.985 439 E CA 0.515 56.955 56.400 0.068 0.000 0.814 439 E CB 0.088 29.853 29.700 0.108 0.000 0.752 439 E HN 0.200 nan 8.360 nan 0.000 0.466 440 K N 1.052 121.415 120.400 -0.062 0.000 2.002 440 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 440 K C 2.157 178.546 176.600 -0.353 0.000 1.048 440 K CA 1.184 57.352 56.287 -0.199 0.000 0.930 440 K CB -0.014 32.335 32.500 -0.252 0.000 0.714 440 K HN -0.050 nan 8.250 nan 0.000 0.438 441 V N 1.411 121.242 119.914 -0.138 0.000 2.287 441 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 441 V C 2.450 178.729 176.094 0.309 0.000 1.053 441 V CA 2.095 64.431 62.300 0.060 0.000 1.027 441 V CB -0.833 31.139 31.823 0.247 0.000 0.646 441 V HN 0.508 nan 8.190 nan 0.000 0.447 442 A N -0.445 122.564 122.820 0.315 0.000 1.883 442 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 442 A C 2.244 180.064 177.584 0.394 0.000 1.186 442 A CA 1.942 54.252 52.037 0.455 0.000 0.624 442 A CB -0.615 18.578 19.000 0.322 0.000 0.822 442 A HN 0.495 nan 8.150 nan 0.000 0.444 443 L N -1.483 119.886 121.223 0.243 0.000 2.079 443 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 443 L C 2.482 179.561 176.870 0.347 0.000 1.081 443 L CA 1.205 56.194 54.840 0.248 0.000 0.752 443 L CB -0.539 41.633 42.059 0.189 0.000 0.896 443 L HN 0.464 nan 8.230 nan 0.000 0.433 444 Y N -0.852 119.553 120.300 0.175 0.000 2.333 444 Y HA -0.202 4.348 4.550 -0.000 0.000 0.290 444 Y C 2.523 178.343 175.900 -0.134 0.000 1.144 444 Y CA 0.686 58.781 58.100 -0.009 0.000 1.228 444 Y CB -0.861 37.525 38.460 -0.124 0.000 0.985 444 Y HN 0.360 nan 8.280 nan 0.000 0.542 445 H N -2.018 117.188 119.070 0.227 0.000 2.551 445 H HA 0.064 4.620 4.556 -0.000 0.000 0.271 445 H C 1.772 177.264 175.328 0.273 0.000 0.984 445 H CA -0.024 56.136 56.048 0.187 0.000 1.164 445 H CB 0.372 30.189 29.762 0.092 0.000 1.437 445 H HN 0.218 nan 8.280 nan 0.000 0.550 446 L N 1.521 122.938 121.223 0.324 0.000 2.017 446 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 446 L C 2.309 179.278 176.870 0.165 0.000 1.073 446 L CA 1.665 56.642 54.840 0.228 0.000 0.745 446 L CB -0.450 41.722 42.059 0.188 0.000 0.894 446 L HN 0.073 nan 8.230 nan 0.000 0.432 447 K N -0.606 119.878 120.400 0.140 0.000 2.032 447 K HA -0.261 4.059 4.320 -0.000 0.000 0.209 447 K C 2.125 178.778 176.600 0.090 0.000 1.048 447 K CA 1.637 57.979 56.287 0.093 0.000 0.927 447 K CB -0.210 32.330 32.500 0.067 0.000 0.712 447 K HN 0.017 nan 8.250 nan 0.000 0.441 448 K N 1.407 121.886 120.400 0.130 0.000 2.209 448 K HA -0.086 4.234 4.320 -0.000 0.000 0.204 448 K C 1.411 178.055 176.600 0.074 0.000 1.048 448 K CA 1.175 57.543 56.287 0.134 0.000 0.940 448 K CB 0.007 32.675 32.500 0.280 0.000 0.729 448 K HN 0.090 nan 8.250 nan 0.000 0.451 449 L N 0.597 121.876 121.223 0.094 0.000 2.592 449 L HA 0.130 4.470 4.340 -0.000 0.000 0.227 449 L C -0.138 176.733 176.870 0.001 0.000 1.127 449 L CA -0.116 54.727 54.840 0.006 0.000 0.884 449 L CB -0.301 41.781 42.059 0.038 0.000 1.065 449 L HN 0.260 nan 8.230 nan 0.000 0.457 450 N N 0.226 118.941 118.700 0.024 0.000 2.725 450 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 450 N C 0.099 175.620 175.510 0.018 0.000 1.103 450 N CA 0.880 53.939 53.050 0.015 0.000 0.707 450 N CB -0.870 37.614 38.487 -0.005 0.000 1.043 450 N HN 0.373 nan 8.380 nan 0.000 0.553 451 A N 0.199 123.042 122.820 0.037 0.000 2.260 451 A HA 0.570 4.890 4.320 -0.000 0.000 0.314 451 A C 0.332 177.942 177.584 0.043 0.000 1.257 451 A CA -0.240 51.819 52.037 0.036 0.000 0.871 451 A CB 0.838 19.867 19.000 0.048 0.000 1.166 451 A HN 0.122 nan 8.150 nan 0.000 0.522 452 S N 2.241 117.959 115.700 0.029 0.000 2.410 452 S HA 0.384 4.854 4.470 -0.000 0.000 0.304 452 S C -0.190 174.425 174.600 0.025 0.000 1.095 452 S CA -0.331 57.887 58.200 0.029 0.000 1.089 452 S CB 0.329 63.540 63.200 0.019 0.000 0.968 452 S HN 0.633 nan 8.310 nan 0.000 0.480 453 L N 3.896 125.139 121.223 0.034 0.000 2.395 453 L HA 0.384 4.724 4.340 -0.000 0.000 0.269 453 L C 0.457 177.330 176.870 0.006 0.000 1.133 453 L CA 0.541 55.392 54.840 0.020 0.000 0.812 453 L CB 0.918 43.002 42.059 0.041 0.000 1.125 453 L HN 0.485 nan 8.230 nan 0.000 0.452 454 T N 3.676 118.216 114.554 -0.023 0.000 2.837 454 T HA 0.276 4.626 4.350 -0.000 0.000 0.285 454 T C -0.338 174.348 174.700 -0.025 0.000 0.984 454 T CA -0.545 61.542 62.100 -0.022 0.000 1.049 454 T CB 0.734 69.582 68.868 -0.034 0.000 0.947 454 T HN 0.410 nan 8.240 nan 0.000 0.472 455 E N 2.185 122.388 120.200 0.004 0.000 2.259 455 E HA 0.187 4.537 4.350 -0.000 0.000 0.281 455 E C -0.384 176.230 176.600 0.024 0.000 1.037 455 E CA -0.607 55.810 56.400 0.028 0.000 0.854 455 E CB 1.145 30.869 29.700 0.040 0.000 1.051 455 E HN 0.320 nan 8.360 nan 0.000 0.409 456 L N 3.606 124.857 121.223 0.046 0.000 2.416 456 L HA 0.038 4.378 4.340 -0.000 0.000 0.272 456 L C 0.308 177.215 176.870 0.062 0.000 1.161 456 L CA 0.445 55.318 54.840 0.056 0.000 0.845 456 L CB 0.567 42.697 42.059 0.118 0.000 1.119 456 L HN 0.420 nan 8.230 nan 0.000 0.464 457 D N 1.204 121.632 120.400 0.048 0.000 2.383 457 D HA 0.088 4.728 4.640 -0.000 0.000 0.248 457 D C 0.666 176.997 176.300 0.052 0.000 1.170 457 D CA -0.181 53.844 54.000 0.041 0.000 0.977 457 D CB 0.981 41.796 40.800 0.024 0.000 1.120 457 D HN 0.589 nan 8.370 nan 0.000 0.481 458 D N 0.001 120.427 120.400 0.043 0.000 2.104 458 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 458 D C 1.381 177.713 176.300 0.054 0.000 0.994 458 D CA 1.006 55.034 54.000 0.046 0.000 0.830 458 D CB -0.076 40.745 40.800 0.034 0.000 0.959 458 D HN 0.357 nan 8.370 nan 0.000 0.452 459 N N 0.689 119.416 118.700 0.044 0.000 2.142 459 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 459 N C 1.839 177.403 175.510 0.090 0.000 1.023 459 N CA 0.724 53.805 53.050 0.051 0.000 0.852 459 N CB -0.237 38.259 38.487 0.014 0.000 0.998 459 N HN 0.414 nan 8.380 nan 0.000 0.424 460 Q N 0.222 120.067 119.800 0.077 0.000 2.124 460 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 460 Q C 2.306 178.404 176.000 0.163 0.000 0.977 460 Q CA 1.026 56.899 55.803 0.117 0.000 0.850 460 Q CB -0.118 28.664 28.738 0.072 0.000 0.901 460 Q HN 0.400 nan 8.270 nan 0.000 0.429 461 C N 0.443 119.817 119.300 0.124 0.000 2.432 461 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 461 C C 2.709 177.763 174.990 0.105 0.000 1.249 461 C CA 0.945 60.033 59.018 0.116 0.000 1.725 461 C CB -0.838 26.957 27.740 0.091 0.000 2.028 461 C HN 0.575 nan 8.230 nan 0.000 0.477 462 Q N -0.587 119.276 119.800 0.106 0.000 2.084 462 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 462 Q C 2.069 178.138 176.000 0.115 0.000 0.978 462 Q CA 1.653 57.511 55.803 0.092 0.000 0.844 462 Q CB -0.312 28.479 28.738 0.088 0.000 0.898 462 Q HN 0.688 nan 8.270 nan 0.000 0.426 463 F N 0.858 120.818 119.950 0.017 0.000 2.102 463 F HA -0.161 4.367 4.527 0.001 0.000 0.298 463 F C 1.732 177.541 175.800 0.016 0.000 1.105 463 F CA 1.335 59.344 58.000 0.014 0.000 1.239 463 F CB -0.141 38.867 39.000 0.013 0.000 0.991 463 F HN 0.042 nan 8.300 nan 0.000 0.474 464 L N -0.171 121.083 121.223 0.051 0.000 2.313 464 L HA 0.114 4.454 4.340 -0.000 0.000 0.214 464 L C 1.499 178.331 176.870 -0.063 0.000 1.119 464 L CA 0.711 55.526 54.840 -0.041 0.000 0.809 464 L CB -1.153 40.959 42.059 0.088 0.000 0.933 464 L HN 0.412 nan 8.230 nan 0.000 0.449 465 G N 1.207 109.990 108.800 -0.027 0.000 2.298 465 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.287 465 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.287 465 G C -0.086 174.807 174.900 -0.012 0.000 1.075 465 G CA 0.317 45.399 45.100 -0.029 0.000 0.960 465 G HN 0.326 nan 8.290 nan 0.000 0.502 466 V N -3.443 116.482 119.914 0.018 0.000 3.130 466 V HA 0.785 4.905 4.120 -0.000 0.000 0.310 466 V C 0.200 176.299 176.094 0.010 0.000 1.158 466 V CA -1.474 60.830 62.300 0.006 0.000 1.029 466 V CB 2.042 33.893 31.823 0.046 0.000 1.057 466 V HN 0.351 nan 8.190 nan 0.000 0.436 467 N N 0.998 119.666 118.700 -0.052 0.000 2.513 467 N HA 0.203 4.943 4.740 -0.000 0.000 0.274 467 N C 0.602 176.108 175.510 -0.007 0.000 1.189 467 N CA -0.195 52.829 53.050 -0.043 0.000 0.975 467 N CB 1.769 40.205 38.487 -0.086 0.000 1.157 467 N HN 0.940 nan 8.380 nan 0.000 0.465 468 K N 0.818 121.253 120.400 0.057 0.000 2.442 468 K HA 0.001 4.321 4.320 -0.000 0.000 0.198 468 K C 0.726 177.430 176.600 0.173 0.000 1.044 468 K CA 0.945 57.321 56.287 0.149 0.000 0.948 468 K CB 0.220 32.784 32.500 0.107 0.000 0.762 468 K HN 0.390 nan 8.250 nan 0.000 0.472 469 S N -0.480 115.226 115.700 0.009 0.000 2.523 469 S HA 0.251 4.721 4.470 -0.000 0.000 0.217 469 S C 0.227 174.633 174.600 -0.323 0.000 0.996 469 S CA 0.101 58.289 58.200 -0.021 0.000 0.921 469 S CB 1.101 64.291 63.200 -0.016 0.000 0.829 469 S HN 0.628 nan 8.310 nan 0.000 0.495 470 G N 2.192 110.549 108.800 -0.738 0.000 2.655 470 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.680 470 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.680 470 G C -3.312 171.304 174.900 -0.472 0.000 1.302 470 G CA -1.355 43.046 45.100 -1.165 0.000 0.872 470 G HN 0.145 nan 8.290 nan 0.000 0.540 471 P HA 0.452 nan 4.420 nan 0.000 0.269 471 P C 0.317 177.351 177.300 -0.444 0.000 1.215 471 P CA -0.058 62.844 63.100 -0.330 0.000 0.780 471 P CB 0.139 31.785 31.700 -0.090 0.000 0.898 472 F N -0.561 119.397 119.950 0.012 0.000 2.731 472 F HA 0.187 4.714 4.527 -0.000 0.000 0.298 472 F C 1.230 176.958 175.800 -0.120 0.000 1.106 472 F CA 0.344 58.323 58.000 -0.035 0.000 1.329 472 F CB 0.287 39.274 39.000 -0.022 0.000 1.100 472 F HN 0.003 nan 8.300 nan 0.000 0.592 473 K N 0.349 120.755 120.400 0.010 0.000 2.350 473 K HA 0.454 4.774 4.320 -0.000 0.000 0.241 473 K C -0.032 176.539 176.600 -0.048 0.000 0.994 473 K CA -0.519 55.663 56.287 -0.174 0.000 0.839 473 K CB 1.665 33.898 32.500 -0.445 0.000 1.244 473 K HN -0.025 nan 8.250 nan 0.000 0.443 474 S N -0.074 115.609 115.700 -0.028 0.000 2.645 474 S HA 0.191 4.661 4.470 -0.000 0.000 0.266 474 S C 0.809 175.458 174.600 0.080 0.000 1.258 474 S CA -0.459 57.759 58.200 0.030 0.000 0.990 474 S CB 0.632 63.852 63.200 0.033 0.000 0.967 474 S HN 0.445 nan 8.310 nan 0.000 0.556 475 N N 0.899 119.642 118.700 0.071 0.000 2.364 475 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 475 N C 0.859 176.424 175.510 0.092 0.000 1.022 475 N CA 1.038 54.141 53.050 0.088 0.000 0.883 475 N CB -0.284 38.241 38.487 0.064 0.000 0.965 475 N HN 0.667 nan 8.380 nan 0.000 0.438 476 E N -0.477 119.769 120.200 0.077 0.000 2.478 476 E HA 0.001 4.351 4.350 -0.000 0.000 0.194 476 E C -0.147 176.483 176.600 0.049 0.000 1.045 476 E CA -0.196 56.236 56.400 0.053 0.000 0.868 476 E CB -0.222 29.498 29.700 0.032 0.000 0.885 476 E HN 0.292 nan 8.360 nan 0.000 0.505 477 Y N 1.629 121.886 120.300 -0.071 0.000 2.717 477 Y HA -0.110 4.440 4.550 0.000 0.000 0.330 477 Y C 1.056 176.868 175.900 -0.148 0.000 1.217 477 Y CA 0.536 58.526 58.100 -0.184 0.000 1.506 477 Y CB 0.468 38.703 38.460 -0.375 0.000 1.268 477 Y HN -0.106 nan 8.280 nan 0.000 0.561 478 R N 3.798 123.895 120.500 -0.673 0.000 2.280 478 R HA 0.037 4.377 4.340 -0.000 0.000 0.195 478 R C -0.473 175.690 176.300 -0.229 0.000 0.935 478 R CA 0.116 56.010 56.100 -0.343 0.000 1.033 478 R CB -0.116 30.020 30.300 -0.273 0.000 0.964 478 R HN 0.826 nan 8.270 nan 0.000 0.489 479 Y N 0.000 119.959 120.300 -0.568 0.000 2.660 479 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 479 Y CA 0.000 58.036 58.100 -0.106 0.000 1.940 479 Y CB 0.000 38.509 38.460 0.081 0.000 1.050 479 Y HN 0.000 nan 8.280 nan 0.000 0.758