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 1gtl_1_2 DATA FIRST_RESID 1 DATA SEQUENCE AAPTAYTPLD VAQAYQFPEG LDGQGQCIAI IELGGGYDET SLAQYFASLG DATA SEQUENCE VSAPQVVSVS VDGATNQPTG DPNGPDGEVE LDIEVAGALA PGAKIAVYFA DATA SEQUENCE PNTDAGFLNA ITTAVHDPTH KPSIVSISWG GPEDSWAPAS IAAMNRAFLD DATA SEQUENCE AAALGVTVLA AAGDSGSTDG EQDGLYHVDF PAASPYVLAC GGTRLVASAG DATA SEQUENCE RIERETVWND GPDGGSTGGG VSRIFPLPSW QERANVPPSA NPGAGSGRGV DATA SEQUENCE PDVAGNADPA TGYEVVIDGE TTVIGGTSAV APLFAALVAR INQKLGKPVG DATA SEQUENCE YLNPTLYQLP PEVFHDITEG NNDIANRARI YQAGPGWDPC TGLGSPIGIR DATA SEQUENCE LLQALLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.570 177.584 -0.024 0.000 1.274 1 A CA 0.000 52.026 52.037 -0.017 0.000 0.836 1 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 2 A N 1.917 124.718 122.820 -0.031 0.000 2.429 2 A HA 0.531 4.878 4.320 0.045 0.000 0.242 2 A C -1.687 175.868 177.584 -0.049 0.000 1.088 2 A CA 0.001 52.017 52.037 -0.036 0.000 0.784 2 A CB -0.916 18.061 19.000 -0.038 0.000 1.038 2 A HN 0.491 nan 8.150 nan 0.000 0.501 3 P HA 0.260 nan 4.420 nan 0.000 0.269 3 P C -0.152 177.087 177.300 -0.101 0.000 1.209 3 P CA 0.330 63.390 63.100 -0.066 0.000 0.776 3 P CB 0.668 32.337 31.700 -0.052 0.000 0.876 4 T N -1.647 112.823 114.554 -0.140 0.000 2.716 4 T HA 0.854 5.230 4.350 0.045 0.000 0.286 4 T C -0.918 173.620 174.700 -0.270 0.000 1.052 4 T CA -0.802 61.167 62.100 -0.219 0.000 1.024 4 T CB 1.675 70.369 68.868 -0.291 0.000 1.349 4 T HN 0.687 nan 8.240 nan 0.000 0.525 5 A N -0.047 122.534 122.820 -0.398 0.000 2.590 5 A HA 0.678 5.025 4.320 0.045 0.000 0.294 5 A C -2.250 175.044 177.584 -0.483 0.000 1.046 5 A CA -1.063 50.749 52.037 -0.375 0.000 0.684 5 A CB 0.602 19.487 19.000 -0.192 0.000 1.279 5 A HN 0.812 nan 8.150 nan 0.000 0.415 6 Y N -0.096 120.067 120.300 -0.228 0.000 2.598 6 Y HA 0.703 5.280 4.550 0.045 0.000 0.340 6 Y C 1.210 177.038 175.900 -0.120 0.000 1.038 6 Y CA 0.043 58.025 58.100 -0.198 0.000 1.100 6 Y CB 1.996 40.283 38.460 -0.288 0.000 1.281 6 Y HN 0.886 nan 8.280 nan 0.000 0.488 7 T N -2.170 112.455 114.554 0.118 0.000 2.847 7 T HA 0.301 4.678 4.350 0.045 0.000 0.279 7 T C -2.232 172.561 174.700 0.156 0.000 0.984 7 T CA -1.985 60.195 62.100 0.132 0.000 0.988 7 T CB 1.536 70.439 68.868 0.058 0.000 1.040 7 T HN 0.311 nan 8.240 nan 0.000 0.528 8 P HA 0.052 nan 4.420 nan 0.000 0.216 8 P C 1.690 178.989 177.300 -0.000 0.000 1.153 8 P CA 0.840 64.050 63.100 0.184 0.000 0.848 8 P CB -0.170 31.639 31.700 0.182 0.000 0.787 9 L N -0.842 120.374 121.223 -0.011 0.000 2.261 9 L HA -0.213 4.154 4.340 0.045 0.000 0.216 9 L C 1.577 178.368 176.870 -0.131 0.000 1.114 9 L CA 1.595 56.391 54.840 -0.074 0.000 0.777 9 L CB -1.034 41.002 42.059 -0.038 0.000 0.910 9 L HN -0.006 nan 8.230 nan 0.000 0.440 10 D N -1.013 119.323 120.400 -0.106 0.000 2.213 10 D HA -0.105 4.562 4.640 0.045 0.000 0.205 10 D C 2.248 178.344 176.300 -0.340 0.000 0.961 10 D CA 0.634 54.550 54.000 -0.140 0.000 0.853 10 D CB 0.177 40.981 40.800 0.007 0.000 0.967 10 D HN 0.004 nan 8.370 nan 0.000 0.496 11 V N 0.937 120.597 119.914 -0.422 0.000 2.453 11 V HA -0.159 3.987 4.120 0.045 0.000 0.247 11 V C 2.348 178.004 176.094 -0.731 0.000 1.048 11 V CA 1.605 63.490 62.300 -0.691 0.000 1.049 11 V CB -0.610 30.910 31.823 -0.505 0.000 0.672 11 V HN 0.219 nan 8.190 nan 0.000 0.457 12 A N -0.845 121.568 122.820 -0.679 0.000 1.877 12 A HA -0.288 4.059 4.320 0.045 0.000 0.216 12 A C 2.206 179.446 177.584 -0.572 0.000 1.186 12 A CA 1.941 53.269 52.037 -1.181 0.000 0.620 12 A CB -0.528 17.751 19.000 -1.201 0.000 0.822 12 A HN 0.560 nan 8.150 nan 0.000 0.443 13 Q N -0.877 118.720 119.800 -0.338 0.000 2.061 13 Q HA -0.203 4.164 4.340 0.045 0.000 0.204 13 Q C 2.436 178.357 176.000 -0.132 0.000 0.984 13 Q CA 1.553 57.261 55.803 -0.157 0.000 0.846 13 Q CB -0.390 28.278 28.738 -0.116 0.000 0.902 13 Q HN 0.694 nan 8.270 nan 0.000 0.421 14 A N -0.032 122.631 122.820 -0.261 0.000 1.978 14 A HA -0.172 4.175 4.320 0.045 0.000 0.220 14 A C 1.284 178.856 177.584 -0.020 0.000 1.170 14 A CA 1.154 53.049 52.037 -0.237 0.000 0.636 14 A CB -0.695 18.004 19.000 -0.501 0.000 0.810 14 A HN 0.518 nan 8.150 nan 0.000 0.448 15 Y N -1.048 119.232 120.300 -0.033 0.000 2.532 15 Y HA 0.194 4.772 4.550 0.046 0.000 0.283 15 Y C 0.357 176.381 175.900 0.208 0.000 1.181 15 Y CA -0.267 57.905 58.100 0.121 0.000 1.256 15 Y CB -0.153 38.481 38.460 0.291 0.000 1.112 15 Y HN 0.396 nan 8.280 nan 0.000 0.521 16 Q N 0.567 120.521 119.800 0.257 0.000 2.423 16 Q HA -0.232 4.135 4.340 0.045 0.000 0.332 16 Q C -0.793 175.397 176.000 0.316 0.000 1.355 16 Q CA -0.003 55.925 55.803 0.208 0.000 0.947 16 Q CB -1.277 27.540 28.738 0.131 0.000 1.189 16 Q HN 0.315 nan 8.270 nan 0.000 0.418 17 F N 1.364 121.353 119.950 0.065 0.000 2.553 17 F HA 0.098 4.649 4.527 0.041 0.000 0.356 17 F C -1.273 174.538 175.800 0.019 0.000 1.142 17 F CA -1.965 56.065 58.000 0.050 0.000 1.322 17 F CB -0.145 38.896 39.000 0.069 0.000 1.126 17 F HN 0.120 nan 8.300 nan 0.000 0.599 18 P HA -0.011 nan 4.420 nan 0.000 0.267 18 P C -0.385 176.965 177.300 0.084 0.000 1.209 18 P CA -0.000 63.136 63.100 0.061 0.000 0.763 18 P CB 0.686 32.383 31.700 -0.006 0.000 0.816 19 E N 1.646 121.885 120.200 0.066 0.000 2.301 19 E HA 0.359 4.736 4.350 0.045 0.000 0.275 19 E C 1.371 177.990 176.600 0.033 0.000 1.030 19 E CA 0.112 56.545 56.400 0.055 0.000 0.852 19 E CB 0.781 30.506 29.700 0.042 0.000 1.060 19 E HN 0.780 nan 8.360 nan 0.000 0.401 20 G N 2.224 111.042 108.800 0.029 0.000 2.176 20 G HA2 -0.226 3.761 3.960 0.045 0.000 0.232 20 G HA3 -0.226 3.761 3.960 0.045 0.000 0.232 20 G C -0.049 174.859 174.900 0.014 0.000 0.986 20 G CA -0.102 45.008 45.100 0.017 0.000 0.643 20 G HN 0.335 nan 8.290 nan 0.000 0.522 21 L N 1.583 122.820 121.223 0.023 0.000 2.376 21 L HA 0.520 4.887 4.340 0.045 0.000 0.275 21 L C -0.298 176.589 176.870 0.029 0.000 0.987 21 L CA -0.617 54.233 54.840 0.017 0.000 0.828 21 L CB 1.830 43.895 42.059 0.009 0.000 1.249 21 L HN 0.235 nan 8.230 nan 0.000 0.409 22 D N 1.612 122.022 120.400 0.017 0.000 2.696 22 D HA 0.143 4.810 4.640 0.045 0.000 0.269 22 D C 1.078 177.385 176.300 0.010 0.000 1.319 22 D CA 0.143 54.153 54.000 0.018 0.000 0.826 22 D CB 0.970 41.772 40.800 0.003 0.000 1.086 22 D HN 0.719 nan 8.370 nan 0.000 0.481 23 G N 1.146 109.953 108.800 0.011 0.000 2.205 23 G HA2 -0.402 3.585 3.960 0.045 0.000 0.269 23 G HA3 -0.402 3.585 3.960 0.045 0.000 0.269 23 G C 0.372 175.271 174.900 -0.000 0.000 0.977 23 G CA 0.706 45.809 45.100 0.007 0.000 0.652 23 G HN 0.677 nan 8.290 nan 0.000 0.539 24 Q N 0.200 119.998 119.800 -0.004 0.000 2.269 24 Q HA 0.405 4.772 4.340 0.045 0.000 0.300 24 Q C 1.461 177.458 176.000 -0.005 0.000 1.070 24 Q CA 1.747 57.545 55.803 -0.007 0.000 0.957 24 Q CB 0.124 28.857 28.738 -0.008 0.000 1.131 24 Q HN 1.861 nan 8.270 nan 0.000 0.377 25 G N 2.675 111.473 108.800 -0.004 0.000 2.175 25 G HA2 -0.183 3.804 3.960 0.045 0.000 0.244 25 G HA3 -0.183 3.804 3.960 0.045 0.000 0.244 25 G C -0.158 174.744 174.900 0.003 0.000 0.982 25 G CA 0.215 45.314 45.100 -0.001 0.000 0.641 25 G HN 0.630 nan 8.290 nan 0.000 0.527 26 Q N -0.937 118.866 119.800 0.006 0.000 2.486 26 Q HA 0.729 5.096 4.340 0.045 0.000 0.274 26 Q C -0.385 175.630 176.000 0.024 0.000 1.076 26 Q CA -0.274 55.537 55.803 0.013 0.000 0.872 26 Q CB 2.028 30.772 28.738 0.009 0.000 1.383 26 Q HN 0.686 nan 8.270 nan 0.000 0.478 27 C N 0.880 120.202 119.300 0.036 0.000 2.608 27 C HA 0.690 5.177 4.460 0.045 0.000 0.325 27 C C -1.301 173.729 174.990 0.066 0.000 1.147 27 C CA -0.451 58.602 59.018 0.059 0.000 1.359 27 C CB -0.046 27.745 27.740 0.085 0.000 1.912 27 C HN 0.724 nan 8.230 nan 0.000 0.466 28 I N 5.732 126.345 120.570 0.072 0.000 2.382 28 I HA 0.546 4.743 4.170 0.045 0.000 0.286 28 I C 0.725 176.907 176.117 0.107 0.000 1.002 28 I CA -0.077 61.266 61.300 0.072 0.000 1.135 28 I CB 1.564 39.597 38.000 0.056 0.000 1.288 28 I HN 0.845 nan 8.210 nan 0.000 0.448 29 A N 7.861 130.753 122.820 0.120 0.000 2.340 29 A HA 0.787 5.134 4.320 0.045 0.000 0.268 29 A C -0.333 177.334 177.584 0.139 0.000 1.100 29 A CA -0.239 51.923 52.037 0.207 0.000 0.803 29 A CB 0.436 19.470 19.000 0.056 0.000 1.043 29 A HN 0.694 nan 8.150 nan 0.000 0.488 30 I N 3.042 123.723 120.570 0.185 0.000 2.466 30 I HA 0.242 4.439 4.170 0.045 0.000 0.289 30 I C -0.889 175.307 176.117 0.131 0.000 1.026 30 I CA -0.683 60.687 61.300 0.118 0.000 1.078 30 I CB 1.741 39.778 38.000 0.062 0.000 1.249 30 I HN 0.389 nan 8.210 nan 0.000 0.429 31 I N 5.689 126.346 120.570 0.146 0.000 2.371 31 I HA 0.329 4.526 4.170 0.045 0.000 0.290 31 I C 0.184 176.363 176.117 0.103 0.000 1.028 31 I CA -0.246 61.129 61.300 0.124 0.000 1.345 31 I CB 0.655 38.778 38.000 0.204 0.000 1.407 31 I HN 0.496 nan 8.210 nan 0.000 0.501 32 E N 6.451 126.597 120.200 -0.089 0.000 2.272 32 E HA 0.426 4.803 4.350 0.045 0.000 0.269 32 E C 0.162 176.504 176.600 -0.429 0.000 0.877 32 E CA -0.537 55.808 56.400 -0.092 0.000 0.755 32 E CB 2.861 32.567 29.700 0.010 0.000 1.192 32 E HN 0.439 nan 8.360 nan 0.000 0.422 33 L N -0.017 120.583 121.223 -1.038 0.000 2.672 33 L HA 0.372 4.739 4.340 0.045 0.000 0.236 33 L C 1.027 177.628 176.870 -0.447 0.000 1.092 33 L CA 0.162 54.429 54.840 -0.956 0.000 0.887 33 L CB 0.657 41.760 42.059 -1.594 0.000 1.168 33 L HN 0.514 nan 8.230 nan 0.000 0.502 34 G N -1.239 107.479 108.800 -0.136 0.000 2.975 34 G HA2 0.542 4.529 3.960 0.045 0.000 0.291 34 G HA3 0.542 4.529 3.960 0.045 0.000 0.291 34 G C -0.011 175.048 174.900 0.266 0.000 1.334 34 G CA -0.112 45.074 45.100 0.144 0.000 0.843 34 G HN 0.134 nan 8.290 nan 0.000 0.548 35 G N -1.248 107.667 108.800 0.190 0.000 2.546 35 G HA2 0.364 4.351 3.960 0.045 0.000 0.346 35 G HA3 0.364 4.351 3.960 0.045 0.000 0.346 35 G C 0.660 175.636 174.900 0.127 0.000 1.334 35 G CA 0.954 46.145 45.100 0.151 0.000 0.925 35 G HN 2.191 nan 8.290 nan 0.000 0.537 36 G N -2.946 105.942 108.800 0.146 0.000 2.578 36 G HA2 0.851 4.838 3.960 0.045 0.000 0.302 36 G HA3 0.851 4.838 3.960 0.045 0.000 0.302 36 G C -1.115 173.933 174.900 0.247 0.000 1.243 36 G CA 0.304 45.477 45.100 0.122 0.000 0.843 36 G HN 2.150 nan 8.290 nan 0.000 0.486 37 Y N -0.469 119.912 120.300 0.135 0.000 2.615 37 Y HA 0.772 5.348 4.550 0.044 0.000 0.341 37 Y C -1.482 174.458 175.900 0.066 0.000 1.089 37 Y CA -1.469 56.694 58.100 0.106 0.000 1.049 37 Y CB 1.580 40.128 38.460 0.146 0.000 1.296 37 Y HN 0.783 nan 8.280 nan 0.000 0.470 38 D N -0.547 120.036 120.400 0.306 0.000 2.780 38 D HA 0.353 5.020 4.640 0.045 0.000 0.242 38 D C -0.210 176.237 176.300 0.246 0.000 1.135 38 D CA -0.731 53.378 54.000 0.182 0.000 0.859 38 D CB 2.270 43.113 40.800 0.072 0.000 1.530 38 D HN 0.503 nan 8.370 nan 0.000 0.493 39 E N 0.823 121.153 120.200 0.217 0.000 2.160 39 E HA -0.130 4.247 4.350 0.045 0.000 0.195 39 E C 1.536 178.216 176.600 0.133 0.000 0.991 39 E CA 1.560 58.077 56.400 0.195 0.000 0.810 39 E CB -0.267 29.529 29.700 0.159 0.000 0.742 39 E HN 0.629 nan 8.360 nan 0.000 0.466 40 T N -0.232 114.379 114.554 0.096 0.000 2.812 40 T HA -0.075 4.302 4.350 0.045 0.000 0.264 40 T C 1.989 176.723 174.700 0.056 0.000 1.042 40 T CA 1.307 63.448 62.100 0.069 0.000 1.140 40 T CB -0.234 68.662 68.868 0.048 0.000 0.870 40 T HN 0.094 nan 8.240 nan 0.000 0.445 41 S N 1.398 117.126 115.700 0.047 0.000 2.368 41 S HA 0.016 4.513 4.470 0.045 0.000 0.225 41 S C 1.995 176.582 174.600 -0.022 0.000 1.030 41 S CA 0.881 59.086 58.200 0.009 0.000 0.999 41 S CB -0.452 62.744 63.200 -0.006 0.000 0.844 41 S HN 0.334 nan 8.310 nan 0.000 0.459 42 L N 1.205 122.425 121.223 -0.005 0.000 1.961 42 L HA -0.090 4.277 4.340 0.045 0.000 0.209 42 L C 2.903 179.770 176.870 -0.004 0.000 1.075 42 L CA 1.269 56.052 54.840 -0.095 0.000 0.749 42 L CB -0.962 41.143 42.059 0.076 0.000 0.890 42 L HN 0.312 nan 8.230 nan 0.000 0.433 43 A N -0.484 122.438 122.820 0.171 0.000 1.958 43 A HA -0.333 4.014 4.320 0.045 0.000 0.221 43 A C 2.259 179.925 177.584 0.138 0.000 1.178 43 A CA 2.298 54.466 52.037 0.217 0.000 0.642 43 A CB -0.750 18.345 19.000 0.158 0.000 0.816 43 A HN 0.589 nan 8.150 nan 0.000 0.453 44 Q N -1.794 118.055 119.800 0.082 0.000 1.993 44 Q HA -0.237 4.130 4.340 0.045 0.000 0.202 44 Q C 2.015 178.049 176.000 0.057 0.000 0.984 44 Q CA 1.953 57.793 55.803 0.061 0.000 0.837 44 Q CB -0.401 28.367 28.738 0.049 0.000 0.902 44 Q HN 0.756 nan 8.270 nan 0.000 0.423 45 Y N 0.142 120.356 120.300 -0.142 0.000 2.014 45 Y HA -0.350 4.227 4.550 0.045 0.000 0.272 45 Y C 1.890 177.704 175.900 -0.143 0.000 1.164 45 Y CA 2.171 60.139 58.100 -0.220 0.000 1.114 45 Y CB -0.401 37.796 38.460 -0.438 0.000 0.961 45 Y HN 0.185 nan 8.280 nan 0.000 0.489 46 F N 0.131 120.064 119.950 -0.029 0.000 2.091 46 F HA -0.287 4.265 4.527 0.043 0.000 0.299 46 F C 2.677 178.401 175.800 -0.127 0.000 1.103 46 F CA 1.263 59.187 58.000 -0.127 0.000 1.228 46 F CB -1.596 37.404 39.000 -0.000 0.000 0.984 46 F HN 0.189 nan 8.300 nan 0.000 0.477 47 A N 0.077 122.977 122.820 0.132 0.000 1.917 47 A HA -0.259 4.088 4.320 0.045 0.000 0.219 47 A C 2.337 179.920 177.584 -0.002 0.000 1.182 47 A CA 2.574 54.647 52.037 0.060 0.000 0.633 47 A CB -1.313 17.724 19.000 0.061 0.000 0.819 47 A HN 0.446 nan 8.150 nan 0.000 0.448 48 S N -0.708 114.965 115.700 -0.045 0.000 2.522 48 S HA 0.117 4.614 4.470 0.045 0.000 0.227 48 S C 1.595 176.133 174.600 -0.103 0.000 0.986 48 S CA 0.975 59.136 58.200 -0.065 0.000 0.929 48 S CB -0.434 62.731 63.200 -0.059 0.000 0.769 48 S HN 0.455 nan 8.310 nan 0.000 0.529 49 L N 0.548 121.681 121.223 -0.150 0.000 2.341 49 L HA 0.296 4.663 4.340 0.045 0.000 0.214 49 L C 2.157 178.988 176.870 -0.066 0.000 1.115 49 L CA 0.674 55.427 54.840 -0.145 0.000 0.820 49 L CB -0.582 41.356 42.059 -0.201 0.000 0.944 49 L HN 0.600 nan 8.230 nan 0.000 0.452 50 G N 0.144 108.921 108.800 -0.038 0.000 2.195 50 G HA2 -0.239 3.748 3.960 0.045 0.000 0.224 50 G HA3 -0.239 3.748 3.960 0.045 0.000 0.224 50 G C 0.333 175.227 174.900 -0.010 0.000 0.990 50 G CA 0.042 45.131 45.100 -0.019 0.000 0.639 50 G HN 0.180 nan 8.290 nan 0.000 0.514 51 V N 0.440 120.352 119.914 -0.003 0.000 2.465 51 V HA 0.761 4.908 4.120 0.045 0.000 0.279 51 V C 0.584 176.669 176.094 -0.015 0.000 1.045 51 V CA -0.229 62.067 62.300 -0.006 0.000 0.938 51 V CB 1.340 33.167 31.823 0.005 0.000 0.986 51 V HN 0.919 nan 8.190 nan 0.000 0.467 52 S N 4.034 119.705 115.700 -0.050 0.000 2.465 52 S HA 0.575 5.072 4.470 0.045 0.000 0.280 52 S C 0.714 175.210 174.600 -0.173 0.000 1.232 52 S CA -0.033 58.127 58.200 -0.066 0.000 1.066 52 S CB 0.395 63.563 63.200 -0.054 0.000 0.929 52 S HN 1.801 nan 8.310 nan 0.000 0.494 53 A N 5.244 127.950 122.820 -0.189 0.000 2.613 53 A HA 0.319 4.666 4.320 0.045 0.000 0.230 53 A C -1.309 176.030 177.584 -0.408 0.000 1.051 53 A CA -0.417 51.349 52.037 -0.452 0.000 0.754 53 A CB -0.619 18.324 19.000 -0.094 0.000 0.979 53 A HN 0.692 nan 8.150 nan 0.000 0.510 54 P HA 0.305 nan 4.420 nan 0.000 0.287 54 P C -0.929 176.275 177.300 -0.159 0.000 1.290 54 P CA -0.759 62.163 63.100 -0.297 0.000 0.889 54 P CB 0.950 32.460 31.700 -0.317 0.000 1.190 55 Q N 0.550 120.302 119.800 -0.081 0.000 2.337 55 Q HA 0.353 4.720 4.340 0.045 0.000 0.270 55 Q C -1.289 174.704 176.000 -0.013 0.000 1.002 55 Q CA -0.091 55.698 55.803 -0.024 0.000 0.888 55 Q CB 0.450 29.185 28.738 -0.005 0.000 1.222 55 Q HN 0.208 nan 8.270 nan 0.000 0.400 56 V N 4.948 124.872 119.914 0.017 0.000 2.709 56 V HA 0.634 4.780 4.120 0.045 0.000 0.308 56 V C -0.627 175.512 176.094 0.075 0.000 1.062 56 V CA -0.619 61.681 62.300 0.001 0.000 0.901 56 V CB 1.788 33.565 31.823 -0.077 0.000 1.003 56 V HN 0.731 nan 8.190 nan 0.000 0.425 57 V N 1.243 121.206 119.914 0.082 0.000 3.147 57 V HA 0.848 4.995 4.120 0.045 0.000 0.306 57 V C -0.584 175.572 176.094 0.104 0.000 1.209 57 V CA -0.419 61.966 62.300 0.142 0.000 1.023 57 V CB 2.302 34.213 31.823 0.147 0.000 1.059 57 V HN 0.706 nan 8.190 nan 0.000 0.435 58 S N 1.233 117.022 115.700 0.149 0.000 2.549 58 S HA 0.876 5.373 4.470 0.045 0.000 0.297 58 S C -0.669 173.887 174.600 -0.073 0.000 1.115 58 S CA -0.594 57.679 58.200 0.121 0.000 1.059 58 S CB 1.690 65.102 63.200 0.353 0.000 1.046 58 S HN 0.964 nan 8.310 nan 0.000 0.506 59 V N 2.226 122.012 119.914 -0.213 0.000 2.482 59 V HA 0.397 4.544 4.120 0.045 0.000 0.295 59 V C -0.094 175.983 176.094 -0.028 0.000 1.026 59 V CA -0.680 61.464 62.300 -0.260 0.000 0.856 59 V CB 1.800 33.195 31.823 -0.714 0.000 1.001 59 V HN 0.845 nan 8.190 nan 0.000 0.424 60 S N 4.420 120.153 115.700 0.055 0.000 2.499 60 S HA 0.592 5.089 4.470 0.045 0.000 0.275 60 S C -0.469 174.190 174.600 0.098 0.000 1.257 60 S CA -0.310 57.953 58.200 0.104 0.000 1.050 60 S CB 0.772 64.009 63.200 0.061 0.000 0.937 60 S HN 0.505 nan 8.310 nan 0.000 0.490 61 V N 5.291 125.280 119.914 0.125 0.000 2.459 61 V HA 0.348 4.495 4.120 0.045 0.000 0.295 61 V C -0.336 175.807 176.094 0.082 0.000 1.029 61 V CA -0.681 61.687 62.300 0.113 0.000 0.874 61 V CB 1.519 33.427 31.823 0.143 0.000 0.985 61 V HN 1.003 nan 8.190 nan 0.000 0.438 62 D N 3.999 124.437 120.400 0.063 0.000 2.737 62 D HA -0.204 4.463 4.640 0.045 0.000 0.233 62 D C 1.363 177.684 176.300 0.034 0.000 1.155 62 D CA 1.798 55.825 54.000 0.045 0.000 0.667 62 D CB -1.202 39.624 40.800 0.044 0.000 1.060 62 D HN 1.410 nan 8.370 nan 0.000 0.427 63 G N -1.564 107.256 108.800 0.033 0.000 2.212 63 G HA2 -0.199 3.788 3.960 0.045 0.000 0.266 63 G HA3 -0.199 3.788 3.960 0.045 0.000 0.266 63 G C 0.580 175.483 174.900 0.006 0.000 0.978 63 G CA 0.721 45.831 45.100 0.016 0.000 0.632 63 G HN 1.311 nan 8.290 nan 0.000 0.537 64 A N 0.324 123.159 122.820 0.026 0.000 2.462 64 A HA 0.717 5.064 4.320 0.045 0.000 0.243 64 A C 0.831 178.409 177.584 -0.010 0.000 1.076 64 A CA 1.511 53.557 52.037 0.014 0.000 0.773 64 A CB 0.343 19.384 19.000 0.069 0.000 1.010 64 A HN 1.841 nan 8.150 nan 0.000 0.493 65 T N -0.873 113.588 114.554 -0.156 0.000 2.838 65 T HA 0.446 4.822 4.350 0.045 0.000 0.292 65 T C -0.279 173.931 174.700 -0.817 0.000 1.113 65 T CA -0.899 61.017 62.100 -0.307 0.000 1.008 65 T CB 0.953 69.693 68.868 -0.213 0.000 1.259 65 T HN 0.475 nan 8.240 nan 0.000 0.520 66 N N 1.949 120.071 118.700 -0.964 0.000 2.434 66 N HA 0.100 4.867 4.740 0.045 0.000 0.273 66 N C -0.652 174.469 175.510 -0.648 0.000 1.210 66 N CA -0.048 52.238 53.050 -1.273 0.000 0.992 66 N CB -0.251 37.743 38.487 -0.821 0.000 1.355 66 N HN 0.391 nan 8.380 nan 0.000 0.495 67 Q N 4.126 123.611 119.800 -0.526 0.000 2.644 67 Q HA 0.333 4.700 4.340 0.045 0.000 0.245 67 Q C -2.350 173.552 176.000 -0.163 0.000 1.064 67 Q CA -1.710 53.929 55.803 -0.274 0.000 0.860 67 Q CB 1.191 29.808 28.738 -0.202 0.000 1.145 67 Q HN 0.553 nan 8.270 nan 0.000 0.515 68 P HA 0.021 nan 4.420 nan 0.000 0.269 68 P C 0.645 177.924 177.300 -0.036 0.000 1.215 68 P CA 0.144 63.212 63.100 -0.053 0.000 0.780 68 P CB 0.893 32.564 31.700 -0.047 0.000 0.898 69 T N -2.996 111.554 114.554 -0.006 0.000 3.054 69 T HA 0.307 4.683 4.350 0.045 0.000 0.255 69 T C 1.366 176.065 174.700 -0.002 0.000 1.035 69 T CA 0.615 62.712 62.100 -0.004 0.000 0.941 69 T CB -0.621 68.252 68.868 0.010 0.000 1.026 69 T HN 0.621 nan 8.240 nan 0.000 0.533 70 G N 1.747 110.547 108.800 0.000 0.000 2.377 70 G HA2 -0.299 3.688 3.960 0.045 0.000 0.250 70 G HA3 -0.299 3.688 3.960 0.045 0.000 0.250 70 G C -0.000 174.902 174.900 0.004 0.000 1.039 70 G CA 0.250 45.350 45.100 0.001 0.000 0.625 70 G HN 0.727 nan 8.290 nan 0.000 0.526 71 D N 2.224 122.628 120.400 0.007 0.000 2.348 71 D HA 0.346 5.013 4.640 0.045 0.000 0.259 71 D C 0.040 176.343 176.300 0.006 0.000 1.296 71 D CA -1.558 52.445 54.000 0.006 0.000 0.931 71 D CB 1.075 41.881 40.800 0.010 0.000 1.067 71 D HN 0.249 nan 8.370 nan 0.000 0.503 72 P HA -0.152 nan 4.420 nan 0.000 0.223 72 P C 0.452 177.746 177.300 -0.010 0.000 1.144 72 P CA 0.910 64.005 63.100 -0.008 0.000 0.783 72 P CB 0.238 31.930 31.700 -0.014 0.000 0.771 73 N N -0.684 118.013 118.700 -0.005 0.000 2.251 73 N HA 0.143 4.910 4.740 0.045 0.000 0.217 73 N C 0.821 176.332 175.510 0.001 0.000 1.124 73 N CA -0.350 52.697 53.050 -0.005 0.000 0.843 73 N CB 0.301 38.787 38.487 -0.002 0.000 1.024 73 N HN 0.099 nan 8.380 nan 0.000 0.501 74 G N 0.372 109.177 108.800 0.009 0.000 2.753 74 G HA2 0.226 4.213 3.960 0.045 0.000 0.285 74 G HA3 0.226 4.213 3.960 0.045 0.000 0.285 74 G C -1.674 173.246 174.900 0.032 0.000 1.344 74 G CA -0.801 44.313 45.100 0.023 0.000 1.050 74 G HN -0.099 nan 8.290 nan 0.000 0.532 75 P HA -0.157 nan 4.420 nan 0.000 0.221 75 P C 0.328 177.706 177.300 0.130 0.000 1.141 75 P CA 1.542 64.717 63.100 0.125 0.000 0.794 75 P CB 0.112 31.956 31.700 0.241 0.000 0.764 76 D N 0.614 121.071 120.400 0.096 0.000 2.078 76 D HA -0.115 4.552 4.640 0.045 0.000 0.193 76 D C 2.536 178.870 176.300 0.056 0.000 0.990 76 D CA 1.566 55.627 54.000 0.100 0.000 0.827 76 D CB -1.409 39.430 40.800 0.066 0.000 0.975 76 D HN 0.117 nan 8.370 nan 0.000 0.451 77 G N 0.437 109.242 108.800 0.009 0.000 2.606 77 G HA2 -0.404 3.583 3.960 0.045 0.000 0.223 77 G HA3 -0.404 3.583 3.960 0.045 0.000 0.223 77 G C 1.599 176.465 174.900 -0.057 0.000 1.106 77 G CA 1.594 46.674 45.100 -0.034 0.000 0.745 77 G HN 0.341 nan 8.290 nan 0.000 0.597 78 E N -0.288 119.879 120.200 -0.055 0.000 2.122 78 E HA 0.031 4.408 4.350 0.045 0.000 0.190 78 E C 2.527 179.119 176.600 -0.015 0.000 0.977 78 E CA 0.735 57.069 56.400 -0.111 0.000 0.820 78 E CB -0.177 29.360 29.700 -0.272 0.000 0.770 78 E HN 0.200 nan 8.360 nan 0.000 0.462 79 V N 1.110 121.083 119.914 0.098 0.000 2.323 79 V HA -0.178 3.969 4.120 0.045 0.000 0.244 79 V C 2.158 178.307 176.094 0.091 0.000 1.041 79 V CA 2.168 64.574 62.300 0.178 0.000 1.025 79 V CB -0.504 31.515 31.823 0.326 0.000 0.656 79 V HN 0.288 nan 8.190 nan 0.000 0.451 80 E N -0.041 120.192 120.200 0.055 0.000 2.106 80 E HA -0.206 4.171 4.350 0.045 0.000 0.192 80 E C 2.145 178.669 176.600 -0.127 0.000 0.984 80 E CA 1.253 57.635 56.400 -0.030 0.000 0.806 80 E CB -0.196 29.481 29.700 -0.038 0.000 0.750 80 E HN 0.485 nan 8.360 nan 0.000 0.458 81 L N 1.666 122.814 121.223 -0.126 0.000 2.042 81 L HA -0.207 4.160 4.340 0.045 0.000 0.210 81 L C 1.425 178.208 176.870 -0.147 0.000 1.076 81 L CA 1.970 56.707 54.840 -0.171 0.000 0.749 81 L CB -0.328 41.639 42.059 -0.153 0.000 0.893 81 L HN -0.074 nan 8.230 nan 0.000 0.432 82 D N 0.321 120.666 120.400 -0.092 0.000 2.077 82 D HA -0.204 4.463 4.640 0.045 0.000 0.193 82 D C 2.294 178.576 176.300 -0.029 0.000 0.989 82 D CA 2.354 56.319 54.000 -0.058 0.000 0.831 82 D CB -0.416 40.379 40.800 -0.008 0.000 0.979 82 D HN 0.482 nan 8.370 nan 0.000 0.449 83 I N 1.107 121.663 120.570 -0.024 0.000 2.264 83 I HA -0.247 3.950 4.170 0.045 0.000 0.248 83 I C 2.238 178.422 176.117 0.111 0.000 1.111 83 I CA 1.219 62.525 61.300 0.010 0.000 1.382 83 I CB -0.313 37.641 38.000 -0.076 0.000 1.060 83 I HN 0.043 nan 8.210 nan 0.000 0.418 84 E N 0.311 120.509 120.200 -0.003 0.000 2.072 84 E HA -0.148 4.229 4.350 0.045 0.000 0.191 84 E C 2.388 179.096 176.600 0.180 0.000 0.985 84 E CA 1.156 57.560 56.400 0.006 0.000 0.801 84 E CB -0.044 29.375 29.700 -0.467 0.000 0.750 84 E HN 0.297 nan 8.360 nan 0.000 0.452 85 V N 1.274 121.205 119.914 0.028 0.000 2.427 85 V HA -0.219 3.928 4.120 0.045 0.000 0.248 85 V C 2.225 178.369 176.094 0.083 0.000 1.051 85 V CA 1.804 64.112 62.300 0.014 0.000 1.048 85 V CB -0.459 31.254 31.823 -0.182 0.000 0.666 85 V HN 0.292 nan 8.190 nan 0.000 0.456 86 A N 0.295 123.164 122.820 0.082 0.000 1.872 86 A HA 0.023 4.370 4.320 0.045 0.000 0.214 86 A C 2.420 180.083 177.584 0.131 0.000 1.187 86 A CA 1.631 53.727 52.037 0.098 0.000 0.614 86 A CB -1.263 17.778 19.000 0.067 0.000 0.826 86 A HN 0.485 nan 8.150 nan 0.000 0.442 87 G N -0.104 108.811 108.800 0.191 0.000 2.491 87 G HA2 -0.094 3.893 3.960 0.045 0.000 0.218 87 G HA3 -0.094 3.893 3.960 0.045 0.000 0.218 87 G C 1.762 176.738 174.900 0.126 0.000 1.180 87 G CA 1.764 46.957 45.100 0.155 0.000 0.774 87 G HN 0.873 nan 8.290 nan 0.000 0.562 88 A N -0.370 122.682 122.820 0.385 0.000 2.019 88 A HA 0.137 4.484 4.320 0.045 0.000 0.219 88 A C 2.222 179.884 177.584 0.130 0.000 1.164 88 A CA 1.349 53.546 52.037 0.267 0.000 0.644 88 A CB -0.198 18.991 19.000 0.316 0.000 0.805 88 A HN 0.321 nan 8.150 nan 0.000 0.449 89 L N -2.238 119.070 121.223 0.142 0.000 2.477 89 L HA 0.344 4.711 4.340 0.045 0.000 0.220 89 L C 1.467 178.426 176.870 0.148 0.000 1.106 89 L CA 1.182 56.117 54.840 0.158 0.000 0.851 89 L CB -0.067 42.132 42.059 0.233 0.000 0.994 89 L HN 0.355 nan 8.230 nan 0.000 0.462 90 A N -0.826 122.050 122.820 0.093 0.000 3.045 90 A HA 0.418 4.765 4.320 0.045 0.000 0.244 90 A C -1.593 175.994 177.584 0.004 0.000 0.917 90 A CA -0.459 51.612 52.037 0.056 0.000 1.075 90 A CB -0.117 18.919 19.000 0.060 0.000 1.202 90 A HN 0.048 nan 8.150 nan 0.000 0.486 91 P HA -0.212 nan 4.420 nan 0.000 0.217 91 P C 1.626 178.875 177.300 -0.084 0.000 1.148 91 P CA 2.179 65.215 63.100 -0.108 0.000 0.834 91 P CB -0.046 31.581 31.700 -0.122 0.000 0.783 92 G N -0.023 108.751 108.800 -0.043 0.000 2.470 92 G HA2 0.012 3.999 3.960 0.045 0.000 0.220 92 G HA3 0.012 3.999 3.960 0.045 0.000 0.220 92 G C 0.880 175.765 174.900 -0.025 0.000 1.121 92 G CA 0.577 45.658 45.100 -0.032 0.000 0.766 92 G HN 0.578 nan 8.290 nan 0.000 0.553 93 A N -0.193 122.616 122.820 -0.018 0.000 2.332 93 A HA 0.605 4.952 4.320 0.045 0.000 0.258 93 A C 0.150 177.728 177.584 -0.010 0.000 1.087 93 A CA -0.338 51.697 52.037 -0.004 0.000 0.802 93 A CB 0.498 19.504 19.000 0.010 0.000 1.042 93 A HN 0.240 nan 8.150 nan 0.000 0.489 94 K N 1.683 122.089 120.400 0.010 0.000 2.281 94 K HA 0.336 4.683 4.320 0.045 0.000 0.272 94 K C -0.912 175.713 176.600 0.041 0.000 1.048 94 K CA -0.470 55.828 56.287 0.019 0.000 0.898 94 K CB 0.951 33.470 32.500 0.032 0.000 1.128 94 K HN 0.477 nan 8.250 nan 0.000 0.460 95 I N 2.842 123.426 120.570 0.023 0.000 2.436 95 I HA 0.121 4.318 4.170 0.045 0.000 0.289 95 I C 0.451 176.589 176.117 0.034 0.000 1.083 95 I CA -0.325 60.991 61.300 0.027 0.000 1.372 95 I CB 0.187 38.184 38.000 -0.005 0.000 1.408 95 I HN 0.555 nan 8.210 nan 0.000 0.516 96 A N 7.502 130.360 122.820 0.063 0.000 2.293 96 A HA 0.619 4.966 4.320 0.045 0.000 0.312 96 A C -0.368 177.162 177.584 -0.090 0.000 1.309 96 A CA -0.530 51.497 52.037 -0.015 0.000 0.839 96 A CB 0.705 19.742 19.000 0.060 0.000 1.155 96 A HN 0.427 nan 8.150 nan 0.000 0.501 97 V N 3.186 122.964 119.914 -0.226 0.000 2.461 97 V HA 0.237 4.384 4.120 0.045 0.000 0.275 97 V C -0.877 174.865 176.094 -0.587 0.000 1.047 97 V CA -0.116 62.008 62.300 -0.293 0.000 0.955 97 V CB 0.199 31.837 31.823 -0.308 0.000 0.988 97 V HN 0.685 nan 8.190 nan 0.000 0.471 98 Y N 4.695 124.784 120.300 -0.352 0.000 2.369 98 Y HA 0.580 5.158 4.550 0.047 0.000 0.337 98 Y C -0.170 175.538 175.900 -0.319 0.000 0.961 98 Y CA -0.986 56.961 58.100 -0.255 0.000 1.186 98 Y CB 0.810 39.203 38.460 -0.111 0.000 1.139 98 Y HN 0.495 nan 8.280 nan 0.000 0.494 99 F N 2.367 122.355 119.950 0.063 0.000 2.408 99 F HA 0.760 5.316 4.527 0.048 0.000 0.344 99 F C 0.377 176.173 175.800 -0.007 0.000 1.112 99 F CA -0.628 57.377 58.000 0.009 0.000 1.096 99 F CB 1.272 40.266 39.000 -0.009 0.000 1.129 99 F HN 0.515 nan 8.300 nan 0.000 0.486 100 A N 3.588 126.474 122.820 0.110 0.000 2.606 100 A HA 0.779 5.125 4.320 0.045 0.000 0.293 100 A C -3.008 174.559 177.584 -0.029 0.000 1.082 100 A CA -2.051 50.013 52.037 0.045 0.000 0.685 100 A CB 1.306 20.333 19.000 0.045 0.000 1.284 100 A HN 0.421 nan 8.150 nan 0.000 0.408 101 P HA -0.010 nan 4.420 nan 0.000 0.264 101 P C -0.400 176.861 177.300 -0.065 0.000 1.183 101 P CA 0.145 63.229 63.100 -0.027 0.000 0.763 101 P CB 0.332 32.035 31.700 0.004 0.000 0.807 102 N N 2.818 121.462 118.700 -0.094 0.000 3.103 102 N HA 0.022 4.789 4.740 0.045 0.000 0.305 102 N C -0.499 174.992 175.510 -0.032 0.000 1.232 102 N CA 0.224 53.196 53.050 -0.130 0.000 1.190 102 N CB -0.502 37.906 38.487 -0.131 0.000 1.461 102 N HN 0.410 nan 8.380 nan 0.000 0.538 103 T N -2.326 112.243 114.554 0.025 0.000 2.864 103 T HA 0.331 4.708 4.350 0.045 0.000 0.289 103 T C 0.756 175.577 174.700 0.201 0.000 1.082 103 T CA -0.666 61.484 62.100 0.082 0.000 1.009 103 T CB 1.183 70.088 68.868 0.063 0.000 1.234 103 T HN -0.137 nan 8.240 nan 0.000 0.526 104 D N 0.767 121.304 120.400 0.228 0.000 2.104 104 D HA 0.011 4.678 4.640 0.045 0.000 0.194 104 D C 2.272 178.731 176.300 0.265 0.000 0.994 104 D CA 2.009 56.220 54.000 0.352 0.000 0.830 104 D CB -0.540 40.425 40.800 0.275 0.000 0.959 104 D HN 0.742 nan 8.370 nan 0.000 0.452 105 A N 0.167 123.085 122.820 0.163 0.000 1.968 105 A HA 0.084 4.431 4.320 0.045 0.000 0.217 105 A C 2.299 179.955 177.584 0.121 0.000 1.169 105 A CA 1.737 53.842 52.037 0.113 0.000 0.638 105 A CB -0.865 18.180 19.000 0.074 0.000 0.812 105 A HN 0.302 nan 8.150 nan 0.000 0.446 106 G N -1.526 107.355 108.800 0.135 0.000 2.403 106 G HA2 -0.137 3.850 3.960 0.045 0.000 0.216 106 G HA3 -0.137 3.850 3.960 0.045 0.000 0.216 106 G C 1.492 176.501 174.900 0.182 0.000 1.154 106 G CA 0.823 45.990 45.100 0.113 0.000 0.784 106 G HN 0.494 nan 8.290 nan 0.000 0.538 107 F N 0.190 120.171 119.950 0.053 0.000 2.031 107 F HA -0.077 4.470 4.527 0.033 0.000 0.295 107 F C 2.527 178.341 175.800 0.024 0.000 1.133 107 F CA 0.795 58.830 58.000 0.058 0.000 1.188 107 F CB -0.064 39.037 39.000 0.170 0.000 0.974 107 F HN 0.135 nan 8.300 nan 0.000 0.473 108 L N 1.460 122.792 121.223 0.182 0.000 1.991 108 L HA -0.380 3.987 4.340 0.045 0.000 0.221 108 L C 1.681 178.560 176.870 0.016 0.000 1.079 108 L CA 2.635 57.468 54.840 -0.013 0.000 0.778 108 L CB -1.267 40.782 42.059 -0.018 0.000 0.893 108 L HN 0.202 nan 8.230 nan 0.000 0.437 109 N N -0.896 117.841 118.700 0.062 0.000 2.120 109 N HA -0.165 4.602 4.740 0.045 0.000 0.188 109 N C 1.847 177.398 175.510 0.068 0.000 1.024 109 N CA 1.095 54.177 53.050 0.054 0.000 0.852 109 N CB -0.359 38.164 38.487 0.061 0.000 1.003 109 N HN 0.555 nan 8.380 nan 0.000 0.424 110 A N 1.784 124.668 122.820 0.105 0.000 1.883 110 A HA -0.153 4.194 4.320 0.045 0.000 0.217 110 A C 2.090 179.682 177.584 0.014 0.000 1.186 110 A CA 1.119 53.218 52.037 0.103 0.000 0.624 110 A CB -0.612 18.471 19.000 0.138 0.000 0.822 110 A HN 0.170 nan 8.150 nan 0.000 0.444 111 I N 0.568 121.165 120.570 0.045 0.000 2.264 111 I HA -0.197 4.000 4.170 0.045 0.000 0.248 111 I C 2.636 178.720 176.117 -0.055 0.000 1.111 111 I CA 2.243 63.534 61.300 -0.015 0.000 1.382 111 I CB -1.573 36.399 38.000 -0.047 0.000 1.060 111 I HN 0.598 nan 8.210 nan 0.000 0.418 112 T N -3.589 110.957 114.554 -0.012 0.000 3.100 112 T HA 0.024 4.401 4.350 0.045 0.000 0.253 112 T C 1.593 176.373 174.700 0.135 0.000 1.118 112 T CA 0.723 62.872 62.100 0.082 0.000 1.058 112 T CB -0.199 68.717 68.868 0.079 0.000 0.953 112 T HN 0.135 nan 8.240 nan 0.000 0.515 113 T N 1.437 116.008 114.554 0.030 0.000 2.937 113 T HA 0.349 4.726 4.350 0.045 0.000 0.260 113 T C 2.338 177.014 174.700 -0.041 0.000 1.051 113 T CA 0.847 62.980 62.100 0.055 0.000 1.141 113 T CB -0.404 68.533 68.868 0.114 0.000 0.879 113 T HN 0.560 nan 8.240 nan 0.000 0.459 114 A N 0.739 123.326 122.820 -0.389 0.000 1.935 114 A HA 0.124 4.471 4.320 0.045 0.000 0.214 114 A C 2.451 179.862 177.584 -0.288 0.000 1.178 114 A CA 0.613 52.214 52.037 -0.726 0.000 0.640 114 A CB -0.739 17.389 19.000 -1.455 0.000 0.825 114 A HN 0.308 nan 8.150 nan 0.000 0.447 115 V N -0.134 119.642 119.914 -0.230 0.000 2.407 115 V HA -0.210 3.937 4.120 0.045 0.000 0.248 115 V C 1.507 177.396 176.094 -0.341 0.000 1.055 115 V CA 2.043 64.181 62.300 -0.271 0.000 1.049 115 V CB -0.878 30.748 31.823 -0.328 0.000 0.662 115 V HN 0.754 nan 8.190 nan 0.000 0.455 116 H N -1.429 117.620 119.070 -0.034 0.000 2.488 116 H HA 0.245 4.828 4.556 0.045 0.000 0.294 116 H C 0.073 175.422 175.328 0.034 0.000 1.088 116 H CA -0.490 55.557 56.048 -0.001 0.000 1.086 116 H CB -0.107 29.652 29.762 -0.005 0.000 1.569 116 H HN 0.207 nan 8.280 nan 0.000 0.548 117 D N 2.542 123.012 120.400 0.117 0.000 2.359 117 D HA -0.002 4.665 4.640 0.045 0.000 0.250 117 D C -1.399 174.996 176.300 0.158 0.000 1.264 117 D CA -2.125 51.984 54.000 0.181 0.000 0.911 117 D CB 1.235 42.193 40.800 0.263 0.000 1.056 117 D HN 0.217 nan 8.370 nan 0.000 0.499 118 P HA -0.036 nan 4.420 nan 0.000 0.233 118 P C 0.898 178.245 177.300 0.077 0.000 1.167 118 P CA 0.461 63.617 63.100 0.094 0.000 0.770 118 P CB 0.655 32.404 31.700 0.081 0.000 0.837 119 T N -0.943 113.679 114.554 0.114 0.000 2.980 119 T HA 0.014 4.391 4.350 0.045 0.000 0.239 119 T C 1.437 176.077 174.700 -0.099 0.000 1.011 119 T CA 1.107 63.213 62.100 0.009 0.000 1.171 119 T CB -0.595 68.286 68.868 0.022 0.000 0.873 119 T HN 0.241 nan 8.240 nan 0.000 0.431 120 H N 1.163 120.289 119.070 0.093 0.000 2.544 120 H HA 0.341 4.925 4.556 0.046 0.000 0.269 120 H C 0.497 175.877 175.328 0.088 0.000 0.970 120 H CA 0.026 56.133 56.048 0.099 0.000 1.219 120 H CB -0.118 29.737 29.762 0.154 0.000 1.421 120 H HN 0.209 nan 8.280 nan 0.000 0.555 121 K N 1.180 121.687 120.400 0.178 0.000 3.415 121 K HA -0.144 4.203 4.320 0.045 0.000 0.271 121 K C -2.449 174.203 176.600 0.086 0.000 0.876 121 K CA 0.203 56.551 56.287 0.101 0.000 0.670 121 K CB -1.139 31.396 32.500 0.058 0.000 1.510 121 K HN 0.439 nan 8.250 nan 0.000 0.455 122 P HA -0.032 nan 4.420 nan 0.000 0.272 122 P C 0.443 177.757 177.300 0.023 0.000 1.230 122 P CA 0.024 63.168 63.100 0.073 0.000 0.788 122 P CB 1.381 33.134 31.700 0.089 0.000 0.949 123 S N 0.290 116.000 115.700 0.017 0.000 2.524 123 S HA 0.220 4.716 4.470 0.045 0.000 0.222 123 S C 0.768 175.364 174.600 -0.006 0.000 1.040 123 S CA -0.210 57.989 58.200 -0.001 0.000 0.915 123 S CB -0.112 63.089 63.200 0.002 0.000 0.831 123 S HN 0.369 nan 8.310 nan 0.000 0.492 124 I N 1.545 122.118 120.570 0.004 0.000 2.740 124 I HA 0.638 4.835 4.170 0.045 0.000 0.303 124 I C -1.320 174.800 176.117 0.004 0.000 1.044 124 I CA -1.313 59.989 61.300 0.005 0.000 1.064 124 I CB 2.377 40.387 38.000 0.017 0.000 1.249 124 I HN -0.089 nan 8.210 nan 0.000 0.433 125 V N 2.856 122.769 119.914 -0.002 0.000 2.668 125 V HA 0.312 4.459 4.120 0.045 0.000 0.304 125 V C -0.489 175.617 176.094 0.020 0.000 1.071 125 V CA -0.500 61.800 62.300 -0.001 0.000 0.894 125 V CB 1.944 33.748 31.823 -0.031 0.000 1.008 125 V HN 0.786 nan 8.190 nan 0.000 0.425 126 S N 5.470 121.199 115.700 0.049 0.000 2.437 126 S HA 0.802 5.299 4.470 0.045 0.000 0.305 126 S C -0.786 173.883 174.600 0.115 0.000 1.109 126 S CA -0.424 57.815 58.200 0.065 0.000 1.099 126 S CB 0.526 63.761 63.200 0.059 0.000 1.004 126 S HN 0.544 nan 8.310 nan 0.000 0.475 127 I N 3.683 124.333 120.570 0.133 0.000 2.465 127 I HA 0.379 4.576 4.170 0.045 0.000 0.291 127 I C 0.130 176.383 176.117 0.226 0.000 1.014 127 I CA -0.449 61.002 61.300 0.252 0.000 1.093 127 I CB 2.373 40.537 38.000 0.273 0.000 1.267 127 I HN 0.563 nan 8.210 nan 0.000 0.431 128 S N 3.882 119.759 115.700 0.296 0.000 2.941 128 S HA 0.272 4.769 4.470 0.045 0.000 0.251 128 S C -0.978 173.633 174.600 0.018 0.000 1.029 128 S CA -0.519 57.740 58.200 0.099 0.000 1.062 128 S CB 0.094 63.264 63.200 -0.051 0.000 0.977 128 S HN 0.504 nan 8.310 nan 0.000 0.552 129 W N 0.286 121.684 121.300 0.164 0.000 2.882 129 W HA 0.798 5.477 4.660 0.031 0.000 0.345 129 W C 0.523 177.271 176.519 0.383 0.000 1.125 129 W CA -0.299 57.144 57.345 0.163 0.000 1.167 129 W CB 1.263 30.687 29.460 -0.061 0.000 1.431 129 W HN 0.211 nan 8.180 nan 0.000 0.543 130 G N -0.447 108.760 108.800 0.678 0.000 2.356 130 G HA2 0.568 4.555 3.960 0.045 0.000 0.281 130 G HA3 0.568 4.555 3.960 0.045 0.000 0.281 130 G C -0.906 174.426 174.900 0.720 0.000 1.246 130 G CA 0.105 45.705 45.100 0.832 0.000 0.889 130 G HN 1.232 nan 8.290 nan 0.000 0.486 131 G N -1.231 108.031 108.800 0.770 0.000 2.377 131 G HA2 0.604 4.590 3.960 0.045 0.000 0.297 131 G HA3 0.604 4.590 3.960 0.045 0.000 0.297 131 G C -3.480 171.769 174.900 0.581 0.000 1.547 131 G CA -0.437 44.949 45.100 0.477 0.000 0.833 131 G HN 0.548 nan 8.290 nan 0.000 0.583 132 P HA -0.004 nan 4.420 nan 0.000 0.259 132 P C 1.030 178.635 177.300 0.507 0.000 1.155 132 P CA 0.691 63.969 63.100 0.298 0.000 0.759 132 P CB 0.435 32.163 31.700 0.047 0.000 0.753 133 E N 2.690 123.216 120.200 0.544 0.000 2.153 133 E HA -0.253 4.124 4.350 0.045 0.000 0.194 133 E C 0.665 177.514 176.600 0.416 0.000 0.988 133 E CA 1.671 58.417 56.400 0.577 0.000 0.811 133 E CB -0.627 29.367 29.700 0.490 0.000 0.746 133 E HN 0.538 nan 8.360 nan 0.000 0.466 134 D N 0.921 121.498 120.400 0.295 0.000 2.349 134 D HA -0.065 4.602 4.640 0.045 0.000 0.224 134 D C 1.432 177.799 176.300 0.111 0.000 1.029 134 D CA 0.666 54.776 54.000 0.183 0.000 0.879 134 D CB 0.323 41.233 40.800 0.185 0.000 0.906 134 D HN 0.233 nan 8.370 nan 0.000 0.528 135 S N -1.748 114.017 115.700 0.107 0.000 2.511 135 S HA 0.129 4.626 4.470 0.045 0.000 0.214 135 S C 0.066 174.630 174.600 -0.060 0.000 0.997 135 S CA -0.893 57.285 58.200 -0.036 0.000 0.908 135 S CB -0.501 62.614 63.200 -0.142 0.000 0.803 135 S HN 0.238 nan 8.310 nan 0.000 0.504 136 W N 2.498 123.819 121.300 0.036 0.000 2.272 136 W HA 0.694 5.379 4.660 0.041 0.000 0.318 136 W C 0.602 177.106 176.519 -0.025 0.000 1.255 136 W CA -0.689 56.667 57.345 0.018 0.000 1.200 136 W CB 0.533 29.985 29.460 -0.013 0.000 1.170 136 W HN 0.207 nan 8.180 nan 0.000 0.549 137 A N 5.704 128.659 122.820 0.224 0.000 2.561 137 A HA 0.054 4.401 4.320 0.045 0.000 0.251 137 A C -1.339 176.291 177.584 0.078 0.000 1.062 137 A CA -0.578 51.528 52.037 0.115 0.000 0.761 137 A CB -0.259 18.803 19.000 0.103 0.000 0.986 137 A HN 0.585 nan 8.150 nan 0.000 0.510 138 P HA -0.304 nan 4.420 nan 0.000 0.219 138 P C 1.671 178.940 177.300 -0.052 0.000 1.153 138 P CA 2.572 65.655 63.100 -0.030 0.000 0.865 138 P CB 0.194 31.876 31.700 -0.031 0.000 0.788 139 A N -1.218 121.589 122.820 -0.022 0.000 1.898 139 A HA -0.158 4.189 4.320 0.045 0.000 0.216 139 A C 2.351 179.909 177.584 -0.043 0.000 1.181 139 A CA 2.050 54.068 52.037 -0.031 0.000 0.620 139 A CB -1.424 17.570 19.000 -0.011 0.000 0.819 139 A HN 0.122 nan 8.150 nan 0.000 0.442 140 S N 0.087 115.784 115.700 -0.005 0.000 2.365 140 S HA -0.170 4.326 4.470 0.045 0.000 0.225 140 S C 1.815 176.320 174.600 -0.158 0.000 1.039 140 S CA 1.639 59.834 58.200 -0.008 0.000 1.033 140 S CB -0.547 62.751 63.200 0.163 0.000 0.887 140 S HN 0.548 nan 8.310 nan 0.000 0.447 141 I N 1.612 122.021 120.570 -0.268 0.000 2.163 141 I HA -0.251 3.946 4.170 0.045 0.000 0.243 141 I C 2.700 178.659 176.117 -0.263 0.000 1.085 141 I CA 1.052 62.000 61.300 -0.586 0.000 1.347 141 I CB -0.761 36.818 38.000 -0.702 0.000 1.044 141 I HN 0.273 nan 8.210 nan 0.000 0.408 142 A N 1.226 123.951 122.820 -0.159 0.000 1.837 142 A HA -0.271 4.076 4.320 0.045 0.000 0.216 142 A C 2.610 180.150 177.584 -0.074 0.000 1.210 142 A CA 2.488 54.479 52.037 -0.078 0.000 0.632 142 A CB -1.320 17.638 19.000 -0.070 0.000 0.843 142 A HN 0.424 nan 8.150 nan 0.000 0.448 143 A N -0.806 121.959 122.820 -0.091 0.000 1.894 143 A HA -0.318 4.029 4.320 0.045 0.000 0.220 143 A C 2.338 179.812 177.584 -0.182 0.000 1.237 143 A CA 2.670 54.642 52.037 -0.109 0.000 0.660 143 A CB -0.809 18.137 19.000 -0.089 0.000 0.835 143 A HN 0.601 nan 8.150 nan 0.000 0.461 144 M N -1.140 118.322 119.600 -0.231 0.000 2.108 144 M HA -0.198 4.309 4.480 0.045 0.000 0.261 144 M C 2.278 178.255 176.300 -0.539 0.000 1.066 144 M CA 1.915 56.945 55.300 -0.451 0.000 1.107 144 M CB -0.778 31.593 32.600 -0.381 0.000 1.356 144 M HN 0.684 nan 8.290 nan 0.000 0.406 145 N N 0.206 118.865 118.700 -0.068 0.000 2.043 145 N HA -0.233 4.534 4.740 0.045 0.000 0.193 145 N C 1.825 177.307 175.510 -0.047 0.000 1.037 145 N CA 1.478 54.631 53.050 0.172 0.000 0.851 145 N CB 0.025 38.748 38.487 0.393 0.000 1.027 145 N HN 0.106 nan 8.380 nan 0.000 0.422 146 R N 0.986 121.427 120.500 -0.097 0.000 2.105 146 R HA -0.043 4.324 4.340 0.045 0.000 0.239 146 R C 2.024 178.205 176.300 -0.199 0.000 1.135 146 R CA 1.598 57.610 56.100 -0.146 0.000 0.967 146 R CB -0.728 29.511 30.300 -0.101 0.000 0.861 146 R HN 0.330 nan 8.270 nan 0.000 0.442 147 A N -0.552 122.107 122.820 -0.267 0.000 1.902 147 A HA -0.115 4.232 4.320 0.045 0.000 0.217 147 A C 1.880 179.345 177.584 -0.197 0.000 1.181 147 A CA 1.408 53.291 52.037 -0.256 0.000 0.623 147 A CB -0.684 18.095 19.000 -0.367 0.000 0.818 147 A HN 0.334 nan 8.150 nan 0.000 0.443 148 F N -0.319 119.532 119.950 -0.166 0.000 2.146 148 F HA -0.062 4.510 4.527 0.075 0.000 0.298 148 F C 2.082 177.669 175.800 -0.355 0.000 1.096 148 F CA 0.595 58.472 58.000 -0.204 0.000 1.275 148 F CB -1.034 37.884 39.000 -0.137 0.000 1.008 148 F HN 0.250 nan 8.300 nan 0.000 0.480 149 L N 0.090 121.077 121.223 -0.394 0.000 1.970 149 L HA -0.258 4.109 4.340 0.045 0.000 0.212 149 L C 2.133 178.774 176.870 -0.382 0.000 1.071 149 L CA 1.875 56.218 54.840 -0.828 0.000 0.751 149 L CB -0.587 40.956 42.059 -0.861 0.000 0.889 149 L HN -0.021 nan 8.230 nan 0.000 0.432 150 D N 0.404 120.669 120.400 -0.226 0.000 2.172 150 D HA -0.235 4.431 4.640 0.045 0.000 0.196 150 D C 2.197 178.425 176.300 -0.120 0.000 0.999 150 D CA 1.589 55.520 54.000 -0.114 0.000 0.856 150 D CB -0.256 40.536 40.800 -0.014 0.000 0.934 150 D HN 0.567 nan 8.370 nan 0.000 0.453 151 A N 0.666 123.407 122.820 -0.132 0.000 1.978 151 A HA -0.058 4.289 4.320 0.045 0.000 0.220 151 A C 2.287 179.806 177.584 -0.108 0.000 1.170 151 A CA 2.217 54.179 52.037 -0.125 0.000 0.636 151 A CB -0.622 18.342 19.000 -0.059 0.000 0.810 151 A HN 0.258 nan 8.150 nan 0.000 0.448 152 A N -0.156 122.579 122.820 -0.142 0.000 1.872 152 A HA 0.232 4.578 4.320 0.045 0.000 0.214 152 A C 2.534 180.100 177.584 -0.030 0.000 1.187 152 A CA 1.891 53.865 52.037 -0.105 0.000 0.614 152 A CB -1.127 17.738 19.000 -0.225 0.000 0.826 152 A HN 1.072 nan 8.150 nan 0.000 0.442 153 A N -0.007 122.782 122.820 -0.051 0.000 1.892 153 A HA -0.154 4.193 4.320 0.045 0.000 0.218 153 A C 2.084 179.660 177.584 -0.014 0.000 1.188 153 A CA 1.716 53.743 52.037 -0.016 0.000 0.631 153 A CB -0.773 18.211 19.000 -0.027 0.000 0.822 153 A HN 0.490 nan 8.150 nan 0.000 0.447 154 L N -1.224 119.975 121.223 -0.041 0.000 2.456 154 L HA 0.046 4.413 4.340 0.045 0.000 0.224 154 L C 1.596 178.448 176.870 -0.031 0.000 1.148 154 L CA 0.595 55.408 54.840 -0.045 0.000 0.825 154 L CB -0.539 41.459 42.059 -0.101 0.000 0.937 154 L HN 0.674 nan 8.230 nan 0.000 0.450 155 G N 0.283 109.073 108.800 -0.017 0.000 2.204 155 G HA2 -0.205 3.782 3.960 0.045 0.000 0.244 155 G HA3 -0.205 3.782 3.960 0.045 0.000 0.244 155 G C -0.240 174.653 174.900 -0.011 0.000 1.062 155 G CA -0.044 45.055 45.100 -0.001 0.000 0.798 155 G HN 0.095 nan 8.290 nan 0.000 0.496 156 V N 0.672 120.572 119.914 -0.023 0.000 2.495 156 V HA 0.651 4.798 4.120 0.045 0.000 0.298 156 V C 0.797 176.883 176.094 -0.015 0.000 1.031 156 V CA -0.264 62.018 62.300 -0.030 0.000 0.871 156 V CB 1.869 33.653 31.823 -0.064 0.000 0.988 156 V HN 0.385 nan 8.190 nan 0.000 0.432 157 T N 3.826 118.377 114.554 -0.005 0.000 2.904 157 T HA 0.547 4.924 4.350 0.045 0.000 0.290 157 T C -0.316 174.369 174.700 -0.025 0.000 1.018 157 T CA -0.325 61.778 62.100 0.005 0.000 1.075 157 T CB 1.480 70.352 68.868 0.007 0.000 0.986 157 T HN 0.397 nan 8.240 nan 0.000 0.523 158 V N 3.601 123.483 119.914 -0.053 0.000 2.488 158 V HA 0.359 4.506 4.120 0.045 0.000 0.293 158 V C -1.113 174.900 176.094 -0.135 0.000 1.027 158 V CA -0.831 61.397 62.300 -0.120 0.000 0.862 158 V CB 1.158 32.834 31.823 -0.245 0.000 1.008 158 V HN 0.600 nan 8.190 nan 0.000 0.428 159 L N 4.264 125.446 121.223 -0.068 0.000 2.322 159 L HA 0.940 5.307 4.340 0.045 0.000 0.281 159 L C 0.223 177.074 176.870 -0.032 0.000 1.014 159 L CA -0.374 54.449 54.840 -0.029 0.000 0.815 159 L CB 1.822 43.911 42.059 0.051 0.000 1.247 159 L HN 0.694 nan 8.230 nan 0.000 0.421 160 A N 2.252 125.044 122.820 -0.046 0.000 2.353 160 A HA 0.878 5.225 4.320 0.045 0.000 0.299 160 A C -0.020 177.587 177.584 0.038 0.000 1.089 160 A CA -0.521 51.511 52.037 -0.008 0.000 0.736 160 A CB 1.158 20.101 19.000 -0.095 0.000 1.195 160 A HN 0.851 nan 8.150 nan 0.000 0.447 161 A N 1.345 124.207 122.820 0.070 0.000 2.586 161 A HA 0.423 4.770 4.320 0.045 0.000 0.231 161 A C 1.399 179.050 177.584 0.110 0.000 1.055 161 A CA 0.561 52.649 52.037 0.085 0.000 0.756 161 A CB -0.004 19.043 19.000 0.078 0.000 0.988 161 A HN 2.144 nan 8.150 nan 0.000 0.509 162 A N 1.515 124.410 122.820 0.125 0.000 2.169 162 A HA 0.497 4.844 4.320 0.045 0.000 0.212 162 A C 1.395 179.074 177.584 0.160 0.000 1.153 162 A CA 1.383 53.502 52.037 0.137 0.000 0.756 162 A CB -0.908 18.170 19.000 0.131 0.000 0.813 162 A HN 2.857 nan 8.150 nan 0.000 0.471 163 G N -1.278 107.621 108.800 0.165 0.000 2.440 163 G HA2 0.132 4.119 3.960 0.045 0.000 0.684 163 G HA3 0.132 4.119 3.960 0.045 0.000 0.684 163 G C -1.013 173.977 174.900 0.150 0.000 1.309 163 G CA -0.107 45.090 45.100 0.162 0.000 0.931 163 G HN 0.046 nan 8.290 nan 0.000 0.612 164 D N -0.170 120.299 120.400 0.115 0.000 2.623 164 D HA 0.357 5.024 4.640 0.045 0.000 0.252 164 D C 1.057 177.290 176.300 -0.112 0.000 1.294 164 D CA 0.541 54.566 54.000 0.042 0.000 0.824 164 D CB 0.699 41.644 40.800 0.242 0.000 1.070 164 D HN 0.345 nan 8.370 nan 0.000 0.487 165 S N 0.013 115.678 115.700 -0.057 0.000 2.809 165 S HA 0.516 5.013 4.470 0.045 0.000 0.248 165 S C 0.895 175.467 174.600 -0.046 0.000 1.071 165 S CA -0.238 57.926 58.200 -0.059 0.000 1.059 165 S CB 1.237 64.442 63.200 0.008 0.000 0.923 165 S HN 0.444 nan 8.310 nan 0.000 0.516 166 G N 2.676 111.424 108.800 -0.086 0.000 2.692 166 G HA2 -0.314 3.673 3.960 0.045 0.000 0.248 166 G HA3 -0.314 3.673 3.960 0.045 0.000 0.248 166 G C 0.841 175.796 174.900 0.092 0.000 1.340 166 G CA -0.071 45.014 45.100 -0.024 0.000 0.896 166 G HN 0.926 nan 8.290 nan 0.000 0.570 167 S N -1.605 114.186 115.700 0.152 0.000 2.469 167 S HA -0.070 4.427 4.470 0.045 0.000 0.238 167 S C 2.081 176.850 174.600 0.283 0.000 0.998 167 S CA 2.380 60.749 58.200 0.282 0.000 0.957 167 S CB -0.519 62.856 63.200 0.291 0.000 0.764 167 S HN 2.115 nan 8.310 nan 0.000 0.514 168 T N -2.505 112.138 114.554 0.147 0.000 3.086 168 T HA 0.192 4.569 4.350 0.045 0.000 0.250 168 T C 0.309 175.151 174.700 0.237 0.000 1.074 168 T CA 0.282 62.449 62.100 0.111 0.000 0.988 168 T CB -0.548 68.297 68.868 -0.039 0.000 0.988 168 T HN 0.234 nan 8.240 nan 0.000 0.530 169 D N 1.768 122.280 120.400 0.186 0.000 2.702 169 D HA -0.144 4.523 4.640 0.045 0.000 0.233 169 D C 1.182 177.541 176.300 0.099 0.000 1.164 169 D CA 1.414 55.511 54.000 0.162 0.000 0.638 169 D CB -1.626 39.311 40.800 0.229 0.000 1.041 169 D HN 0.939 nan 8.370 nan 0.000 0.422 170 G N -0.374 108.463 108.800 0.062 0.000 2.160 170 G HA2 -0.315 3.672 3.960 0.045 0.000 0.251 170 G HA3 -0.315 3.672 3.960 0.045 0.000 0.251 170 G C 0.137 175.040 174.900 0.004 0.000 1.008 170 G CA 0.682 45.799 45.100 0.028 0.000 0.724 170 G HN 0.565 nan 8.290 nan 0.000 0.514 171 E N -0.700 119.508 120.200 0.014 0.000 2.339 171 E HA 0.613 4.990 4.350 0.045 0.000 0.262 171 E C 0.175 176.787 176.600 0.020 0.000 0.934 171 E CA -0.731 55.655 56.400 -0.024 0.000 0.802 171 E CB 1.095 30.690 29.700 -0.174 0.000 1.275 171 E HN 0.349 nan 8.360 nan 0.000 0.427 172 Q N 0.973 120.780 119.800 0.011 0.000 2.706 172 Q HA 0.121 4.488 4.340 0.045 0.000 0.335 172 Q C -0.956 175.047 176.000 0.005 0.000 0.796 172 Q CA -0.116 55.687 55.803 -0.001 0.000 1.046 172 Q CB 0.051 28.778 28.738 -0.018 0.000 1.448 172 Q HN 0.517 nan 8.270 nan 0.000 0.385 173 D N -0.131 120.297 120.400 0.046 0.000 2.328 173 D HA 0.204 4.871 4.640 0.045 0.000 0.221 173 D C 1.272 177.580 176.300 0.013 0.000 1.072 173 D CA 0.660 54.684 54.000 0.042 0.000 0.850 173 D CB 0.373 41.223 40.800 0.084 0.000 0.922 173 D HN 0.552 nan 8.370 nan 0.000 0.516 174 G N -0.291 108.487 108.800 -0.037 0.000 2.195 174 G HA2 -0.238 3.748 3.960 0.045 0.000 0.246 174 G HA3 -0.238 3.748 3.960 0.045 0.000 0.246 174 G C 0.002 174.790 174.900 -0.186 0.000 0.984 174 G CA 0.316 45.357 45.100 -0.099 0.000 0.633 174 G HN 0.388 nan 8.290 nan 0.000 0.525 175 L N -0.197 120.919 121.223 -0.178 0.000 2.334 175 L HA 0.682 5.048 4.340 0.045 0.000 0.270 175 L C 0.325 176.765 176.870 -0.717 0.000 1.018 175 L CA -1.485 53.165 54.840 -0.316 0.000 0.811 175 L CB 1.049 43.008 42.059 -0.166 0.000 1.271 175 L HN 0.053 nan 8.230 nan 0.000 0.443 176 Y N 0.297 120.327 120.300 -0.450 0.000 2.301 176 Y HA 0.393 4.965 4.550 0.037 0.000 0.325 176 Y C 0.294 175.849 175.900 -0.574 0.000 1.203 176 Y CA -0.191 57.676 58.100 -0.389 0.000 1.255 176 Y CB 0.774 39.121 38.460 -0.188 0.000 1.232 176 Y HN 0.359 nan 8.280 nan 0.000 0.501 177 H N 0.801 120.021 119.070 0.251 0.000 2.930 177 H HA 0.580 5.158 4.556 0.036 0.000 0.371 177 H C -1.107 174.375 175.328 0.257 0.000 1.169 177 H CA -1.075 55.113 56.048 0.233 0.000 1.157 177 H CB 1.624 31.491 29.762 0.175 0.000 1.789 177 H HN 0.507 nan 8.280 nan 0.000 0.547 178 V N -1.118 119.028 119.914 0.387 0.000 2.769 178 V HA 0.379 4.526 4.120 0.045 0.000 0.312 178 V C 0.150 176.456 176.094 0.353 0.000 1.058 178 V CA -0.871 61.626 62.300 0.329 0.000 0.952 178 V CB 2.378 34.375 31.823 0.289 0.000 1.019 178 V HN 0.739 nan 8.190 nan 0.000 0.445 179 D N 1.444 122.033 120.400 0.315 0.000 2.210 179 D HA 0.326 4.993 4.640 0.045 0.000 0.249 179 D C -1.350 175.170 176.300 0.366 0.000 1.078 179 D CA -0.195 54.023 54.000 0.363 0.000 0.875 179 D CB 1.568 42.551 40.800 0.305 0.000 1.175 179 D HN 0.551 nan 8.370 nan 0.000 0.440 180 F N 4.338 124.480 119.950 0.321 0.000 2.425 180 F HA 0.335 4.927 4.527 0.108 0.000 0.331 180 F C -1.384 174.499 175.800 0.139 0.000 1.085 180 F CA -2.125 55.942 58.000 0.112 0.000 1.028 180 F CB 1.766 40.682 39.000 -0.139 0.000 1.177 180 F HN 0.213 nan 8.300 nan 0.000 0.487 181 P HA -0.062 nan 4.420 nan 0.000 0.239 181 P C 0.710 177.497 177.300 -0.854 0.000 1.184 181 P CA 1.060 63.335 63.100 -1.375 0.000 0.760 181 P CB -0.183 31.080 31.700 -0.729 0.000 0.884 182 A N 1.505 124.137 122.820 -0.313 0.000 1.908 182 A HA -0.138 4.209 4.320 0.045 0.000 0.218 182 A C 2.478 179.972 177.584 -0.150 0.000 1.181 182 A CA 2.096 54.038 52.037 -0.158 0.000 0.627 182 A CB -1.514 17.500 19.000 0.025 0.000 0.818 182 A HN 0.264 nan 8.150 nan 0.000 0.445 183 A N -0.512 122.278 122.820 -0.049 0.000 2.024 183 A HA 0.023 4.370 4.320 0.045 0.000 0.220 183 A C 1.683 179.025 177.584 -0.403 0.000 1.164 183 A CA 1.222 53.258 52.037 -0.002 0.000 0.643 183 A CB -0.952 18.267 19.000 0.366 0.000 0.806 183 A HN 0.622 nan 8.150 nan 0.000 0.451 184 S N 0.703 116.096 115.700 -0.512 0.000 2.575 184 S HA 0.121 4.618 4.470 0.045 0.000 0.295 184 S C -0.845 173.535 174.600 -0.367 0.000 1.267 184 S CA -0.552 57.316 58.200 -0.553 0.000 1.074 184 S CB 0.632 63.637 63.200 -0.325 0.000 0.829 184 S HN 0.358 nan 8.310 nan 0.000 0.497 185 P HA -0.075 nan 4.420 nan 0.000 0.226 185 P C 0.119 177.370 177.300 -0.083 0.000 1.153 185 P CA 1.106 64.133 63.100 -0.122 0.000 0.777 185 P CB -0.089 31.506 31.700 -0.175 0.000 0.794 186 Y N -0.591 119.689 120.300 -0.034 0.000 2.495 186 Y HA 0.218 4.791 4.550 0.039 0.000 0.293 186 Y C 0.842 176.562 175.900 -0.301 0.000 1.186 186 Y CA -0.223 57.717 58.100 -0.266 0.000 1.266 186 Y CB 0.169 38.436 38.460 -0.321 0.000 1.101 186 Y HN -0.286 nan 8.280 nan 0.000 0.517 187 V N 1.271 121.098 119.914 -0.145 0.000 2.588 187 V HA 0.201 4.348 4.120 0.045 0.000 0.304 187 V C -0.637 175.410 176.094 -0.079 0.000 1.042 187 V CA -1.199 60.940 62.300 -0.269 0.000 0.877 187 V CB 2.287 33.748 31.823 -0.602 0.000 0.996 187 V HN -0.069 nan 8.190 nan 0.000 0.425 188 L N 5.368 126.569 121.223 -0.037 0.000 2.462 188 L HA 0.498 4.865 4.340 0.045 0.000 0.283 188 L C 0.851 177.752 176.870 0.050 0.000 1.166 188 L CA 0.203 55.068 54.840 0.042 0.000 0.964 188 L CB 0.072 42.160 42.059 0.049 0.000 1.294 188 L HN 0.789 nan 8.230 nan 0.000 0.449 189 A N 4.909 127.776 122.820 0.078 0.000 2.484 189 A HA 0.259 4.605 4.320 0.045 0.000 0.268 189 A C 0.140 177.802 177.584 0.130 0.000 1.114 189 A CA -0.268 51.818 52.037 0.082 0.000 0.780 189 A CB -0.505 18.556 19.000 0.102 0.000 1.061 189 A HN 0.785 nan 8.150 nan 0.000 0.505 190 C N 3.672 123.047 119.300 0.125 0.000 2.265 190 C HA 0.645 5.132 4.460 0.045 0.000 0.332 190 C C 1.295 176.367 174.990 0.138 0.000 1.248 190 C CA -0.236 58.879 59.018 0.162 0.000 1.727 190 C CB -0.068 27.755 27.740 0.138 0.000 2.348 190 C HN 1.019 nan 8.230 nan 0.000 0.519 191 G N 2.115 111.005 108.800 0.149 0.000 2.531 191 G HA2 0.709 4.696 3.960 0.045 0.000 0.313 191 G HA3 0.709 4.696 3.960 0.045 0.000 0.313 191 G C -0.203 174.805 174.900 0.180 0.000 1.238 191 G CA -0.356 44.831 45.100 0.146 0.000 0.994 191 G HN 0.985 nan 8.290 nan 0.000 0.493 192 G N -1.333 107.616 108.800 0.249 0.000 2.481 192 G HA2 0.716 4.703 3.960 0.045 0.000 0.315 192 G HA3 0.716 4.703 3.960 0.045 0.000 0.315 192 G C -0.484 174.611 174.900 0.325 0.000 1.231 192 G CA 0.048 45.344 45.100 0.326 0.000 0.968 192 G HN 1.118 nan 8.290 nan 0.000 0.482 193 T N -2.036 112.675 114.554 0.262 0.000 2.843 193 T HA 0.586 4.963 4.350 0.045 0.000 0.302 193 T C -0.709 174.087 174.700 0.160 0.000 1.232 193 T CA -0.972 61.264 62.100 0.228 0.000 1.009 193 T CB 2.109 71.073 68.868 0.161 0.000 1.254 193 T HN 0.610 nan 8.240 nan 0.000 0.504 194 R N 1.296 121.888 120.500 0.154 0.000 2.230 194 R HA 0.572 4.939 4.340 0.045 0.000 0.337 194 R C -1.143 175.195 176.300 0.062 0.000 1.063 194 R CA -0.818 55.337 56.100 0.091 0.000 0.935 194 R CB 0.099 30.474 30.300 0.126 0.000 1.121 194 R HN 0.623 nan 8.270 nan 0.000 0.486 195 L N 5.476 126.716 121.223 0.027 0.000 2.272 195 L HA 0.362 4.729 4.340 0.045 0.000 0.289 195 L C -1.224 175.678 176.870 0.054 0.000 1.032 195 L CA -0.368 54.468 54.840 -0.008 0.000 0.810 195 L CB 1.815 43.798 42.059 -0.127 0.000 1.205 195 L HN 0.346 nan 8.230 nan 0.000 0.422 196 V N 6.369 126.315 119.914 0.054 0.000 2.294 196 V HA 0.854 5.001 4.120 0.045 0.000 0.272 196 V C 0.329 176.462 176.094 0.066 0.000 1.027 196 V CA 0.272 62.638 62.300 0.110 0.000 0.823 196 V CB 0.229 32.088 31.823 0.061 0.000 1.030 196 V HN 1.015 nan 8.190 nan 0.000 0.457 197 A N 4.293 127.177 122.820 0.107 0.000 2.504 197 A HA 1.063 5.410 4.320 0.045 0.000 0.285 197 A C -0.384 177.244 177.584 0.073 0.000 1.261 197 A CA -0.366 51.676 52.037 0.008 0.000 0.741 197 A CB 2.229 21.126 19.000 -0.171 0.000 1.327 197 A HN 0.907 nan 8.150 nan 0.000 0.441 198 S N -2.083 113.622 115.700 0.009 0.000 2.596 198 S HA 0.648 5.145 4.470 0.045 0.000 0.270 198 S C 0.830 175.418 174.600 -0.019 0.000 1.155 198 S CA -0.028 58.183 58.200 0.017 0.000 0.827 198 S CB 0.994 64.205 63.200 0.019 0.000 1.130 198 S HN 2.249 nan 8.310 nan 0.000 0.467 199 A N 1.711 124.520 122.820 -0.017 0.000 1.883 199 A HA -0.111 4.236 4.320 0.045 0.000 0.222 199 A C 2.108 179.682 177.584 -0.016 0.000 1.339 199 A CA 2.749 54.770 52.037 -0.026 0.000 0.692 199 A CB -1.851 17.140 19.000 -0.015 0.000 0.845 199 A HN 1.657 nan 8.150 nan 0.000 0.467 200 G N -0.919 107.880 108.800 -0.002 0.000 2.484 200 G HA2 0.205 4.192 3.960 0.045 0.000 0.218 200 G HA3 0.205 4.192 3.960 0.045 0.000 0.218 200 G C 0.724 175.636 174.900 0.020 0.000 1.130 200 G CA 0.946 46.052 45.100 0.010 0.000 0.784 200 G HN 1.030 nan 8.290 nan 0.000 0.543 201 R N -1.451 119.059 120.500 0.016 0.000 2.692 201 R HA 0.475 4.842 4.340 0.045 0.000 0.269 201 R C -1.682 174.633 176.300 0.024 0.000 1.030 201 R CA -1.024 55.096 56.100 0.034 0.000 0.882 201 R CB 0.525 30.850 30.300 0.041 0.000 1.250 201 R HN -0.064 nan 8.270 nan 0.000 0.465 202 I N 2.949 123.548 120.570 0.048 0.000 2.291 202 I HA 0.096 4.293 4.170 0.045 0.000 0.292 202 I C 0.378 176.527 176.117 0.053 0.000 1.064 202 I CA -0.329 60.983 61.300 0.021 0.000 1.269 202 I CB 1.606 39.595 38.000 -0.018 0.000 1.418 202 I HN 0.757 nan 8.210 nan 0.000 0.485 203 E N 4.671 124.894 120.200 0.038 0.000 2.107 203 E HA 0.001 4.378 4.350 0.045 0.000 0.191 203 E C 0.585 177.219 176.600 0.057 0.000 0.982 203 E CA 1.033 57.462 56.400 0.048 0.000 0.809 203 E CB 0.213 29.935 29.700 0.037 0.000 0.756 203 E HN 0.493 nan 8.360 nan 0.000 0.459 204 R N -0.895 119.631 120.500 0.043 0.000 2.716 204 R HA 0.341 4.708 4.340 0.045 0.000 0.271 204 R C -1.719 174.593 176.300 0.020 0.000 1.028 204 R CA -0.450 55.680 56.100 0.049 0.000 0.883 204 R CB 1.380 31.710 30.300 0.049 0.000 1.250 204 R HN -0.025 nan 8.270 nan 0.000 0.465 205 E N 1.637 121.857 120.200 0.033 0.000 2.531 205 E HA 0.186 4.563 4.350 0.045 0.000 0.323 205 E C -1.741 174.895 176.600 0.060 0.000 0.908 205 E CA -0.303 56.109 56.400 0.020 0.000 0.792 205 E CB 1.458 31.114 29.700 -0.074 0.000 1.360 205 E HN 0.767 nan 8.360 nan 0.000 0.394 206 T N -1.364 113.235 114.554 0.075 0.000 2.724 206 T HA 0.554 4.931 4.350 0.045 0.000 0.274 206 T C -0.058 174.706 174.700 0.105 0.000 0.984 206 T CA -0.688 61.462 62.100 0.083 0.000 1.024 206 T CB 1.063 69.977 68.868 0.077 0.000 1.320 206 T HN 0.097 nan 8.240 nan 0.000 0.555 207 V N 1.480 121.452 119.914 0.096 0.000 2.508 207 V HA 0.177 4.323 4.120 0.045 0.000 0.281 207 V C -0.129 176.074 176.094 0.182 0.000 1.041 207 V CA -0.660 61.708 62.300 0.113 0.000 1.016 207 V CB 0.000 31.859 31.823 0.059 0.000 0.984 207 V HN 0.818 nan 8.190 nan 0.000 0.478 208 W N 7.597 128.919 121.300 0.036 0.000 2.605 208 W HA 0.290 4.966 4.660 0.027 0.000 0.327 208 W C 0.069 176.612 176.519 0.040 0.000 1.332 208 W CA -0.522 56.846 57.345 0.039 0.000 1.403 208 W CB -0.198 29.289 29.460 0.046 0.000 1.452 208 W HN 0.623 nan 8.180 nan 0.000 0.503 209 N N 5.276 123.938 118.700 -0.063 0.000 2.558 209 N HA 0.097 4.864 4.740 0.045 0.000 0.285 209 N C -1.301 174.158 175.510 -0.085 0.000 1.112 209 N CA -0.176 52.742 53.050 -0.219 0.000 0.857 209 N CB 0.975 39.408 38.487 -0.090 0.000 1.376 209 N HN 0.319 nan 8.380 nan 0.000 0.526 210 D N 2.177 122.498 120.400 -0.132 0.000 2.643 210 D HA 0.337 5.003 4.640 0.045 0.000 0.244 210 D C 0.948 177.245 176.300 -0.006 0.000 1.257 210 D CA 0.301 54.321 54.000 0.033 0.000 0.831 210 D CB 0.188 41.108 40.800 0.200 0.000 1.043 210 D HN 0.875 nan 8.370 nan 0.000 0.488 211 G N 1.624 110.395 108.800 -0.049 0.000 2.855 211 G HA2 -0.244 3.742 3.960 0.045 0.000 0.352 211 G HA3 -0.244 3.742 3.960 0.045 0.000 0.352 211 G C -1.882 172.990 174.900 -0.047 0.000 1.415 211 G CA -0.774 44.304 45.100 -0.036 0.000 0.871 211 G HN 0.060 nan 8.290 nan 0.000 0.543 212 P HA 0.032 nan 4.420 nan 0.000 0.220 212 P C 1.099 178.392 177.300 -0.011 0.000 1.148 212 P CA 1.675 64.758 63.100 -0.028 0.000 0.803 212 P CB 0.082 31.772 31.700 -0.017 0.000 0.782 213 D N -0.888 119.514 120.400 0.004 0.000 2.144 213 D HA -0.016 4.651 4.640 0.045 0.000 0.207 213 D C 2.271 178.600 176.300 0.048 0.000 0.970 213 D CA 1.479 55.493 54.000 0.023 0.000 0.853 213 D CB -1.224 39.590 40.800 0.024 0.000 1.007 213 D HN 0.112 nan 8.370 nan 0.000 0.469 214 G N -0.287 108.550 108.800 0.062 0.000 2.534 214 G HA2 0.285 4.272 3.960 0.045 0.000 0.217 214 G HA3 0.285 4.272 3.960 0.045 0.000 0.217 214 G C 0.821 175.842 174.900 0.203 0.000 1.128 214 G CA 0.719 45.901 45.100 0.137 0.000 0.784 214 G HN 0.618 nan 8.290 nan 0.000 0.542 215 G N -1.911 106.903 108.800 0.024 0.000 2.663 215 G HA2 0.328 4.315 3.960 0.045 0.000 0.686 215 G HA3 0.328 4.315 3.960 0.045 0.000 0.686 215 G C -0.542 173.882 174.900 -0.795 0.000 1.246 215 G CA 0.060 45.074 45.100 -0.144 0.000 0.795 215 G HN 1.252 nan 8.290 nan 0.000 0.627 216 S N -0.854 114.193 115.700 -1.088 0.000 2.543 216 S HA 0.675 5.171 4.470 0.045 0.000 0.273 216 S C 0.107 174.212 174.600 -0.824 0.000 1.152 216 S CA 0.849 58.292 58.200 -1.261 0.000 0.910 216 S CB 1.708 64.561 63.200 -0.578 0.000 1.105 216 S HN 2.075 nan 8.310 nan 0.000 0.465 217 T N 3.125 117.323 114.554 -0.592 0.000 2.939 217 T HA 0.376 4.753 4.350 0.045 0.000 0.312 217 T C 0.838 175.527 174.700 -0.018 0.000 1.064 217 T CA 0.885 62.946 62.100 -0.065 0.000 1.136 217 T CB -0.303 68.645 68.868 0.133 0.000 1.035 217 T HN 0.883 nan 8.240 nan 0.000 0.538 218 G N 1.444 110.285 108.800 0.068 0.000 2.504 218 G HA2 0.634 4.621 3.960 0.045 0.000 0.288 218 G HA3 0.634 4.621 3.960 0.045 0.000 0.288 218 G C 0.072 175.044 174.900 0.120 0.000 1.182 218 G CA -0.175 44.990 45.100 0.108 0.000 0.894 218 G HN 1.207 nan 8.290 nan 0.000 0.521 219 G N -1.639 107.258 108.800 0.161 0.000 2.308 219 G HA2 0.647 4.634 3.960 0.045 0.000 0.288 219 G HA3 0.647 4.634 3.960 0.045 0.000 0.288 219 G C -0.254 174.753 174.900 0.178 0.000 1.722 219 G CA 0.329 45.506 45.100 0.128 0.000 0.924 219 G HN 1.933 nan 8.290 nan 0.000 0.732 220 G N -1.308 107.522 108.800 0.050 0.000 2.552 220 G HA2 0.626 4.613 3.960 0.045 0.000 0.137 220 G HA3 0.626 4.613 3.960 0.045 0.000 0.137 220 G C -1.662 173.172 174.900 -0.110 0.000 1.135 220 G CA 0.461 45.443 45.100 -0.196 0.000 1.047 220 G HN 1.592 nan 8.290 nan 0.000 0.501 221 V N 1.230 121.168 119.914 0.038 0.000 2.487 221 V HA 0.649 4.796 4.120 0.045 0.000 0.298 221 V C 0.690 176.875 176.094 0.152 0.000 1.028 221 V CA -0.360 61.983 62.300 0.071 0.000 0.860 221 V CB 1.206 33.062 31.823 0.056 0.000 0.991 221 V HN 0.910 nan 8.190 nan 0.000 0.427 222 S N 3.650 119.446 115.700 0.159 0.000 2.580 222 S HA 0.200 4.697 4.470 0.045 0.000 0.266 222 S C 0.939 175.646 174.600 0.180 0.000 1.354 222 S CA 0.128 58.467 58.200 0.231 0.000 1.008 222 S CB 0.471 63.869 63.200 0.329 0.000 0.898 222 S HN 0.806 nan 8.310 nan 0.000 0.555 223 R N 1.773 122.383 120.500 0.183 0.000 2.509 223 R HA 0.279 4.646 4.340 0.045 0.000 0.297 223 R C 0.408 176.741 176.300 0.056 0.000 0.951 223 R CA -0.041 56.128 56.100 0.114 0.000 1.103 223 R CB 0.047 30.424 30.300 0.127 0.000 1.283 223 R HN 0.597 nan 8.270 nan 0.000 0.534 224 I N -0.230 120.372 120.570 0.053 0.000 3.718 224 I HA 0.222 4.419 4.170 0.045 0.000 0.297 224 I C -0.008 175.880 176.117 -0.381 0.000 1.220 224 I CA 0.436 61.618 61.300 -0.198 0.000 1.381 224 I CB -0.198 37.613 38.000 -0.316 0.000 1.238 224 I HN -0.134 nan 8.210 nan 0.000 0.448 225 F N 2.465 122.449 119.950 0.055 0.000 2.436 225 F HA 0.506 5.081 4.527 0.080 0.000 0.340 225 F C -2.068 173.720 175.800 -0.020 0.000 1.113 225 F CA -2.501 55.519 58.000 0.033 0.000 1.022 225 F CB 0.325 39.363 39.000 0.063 0.000 1.128 225 F HN -0.205 nan 8.300 nan 0.000 0.466 226 P HA 0.037 nan 4.420 nan 0.000 0.271 226 P C -0.771 176.488 177.300 -0.068 0.000 1.244 226 P CA -0.452 62.649 63.100 0.001 0.000 0.793 226 P CB 0.574 32.264 31.700 -0.018 0.000 0.984 227 L N 3.363 124.498 121.223 -0.146 0.000 2.418 227 L HA 0.279 4.646 4.340 0.045 0.000 0.274 227 L C -2.237 174.399 176.870 -0.390 0.000 1.135 227 L CA -1.679 52.995 54.840 -0.278 0.000 0.870 227 L CB -0.609 41.291 42.059 -0.265 0.000 1.154 227 L HN 0.272 nan 8.230 nan 0.000 0.462 228 P HA 0.086 nan 4.420 nan 0.000 0.269 228 P C 0.353 177.171 177.300 -0.804 0.000 1.217 228 P CA 0.153 62.707 63.100 -0.910 0.000 0.783 228 P CB 0.515 31.073 31.700 -1.904 0.000 0.898 229 S N 1.098 116.427 115.700 -0.618 0.000 2.357 229 S HA -0.123 4.373 4.470 0.045 0.000 0.221 229 S C 1.654 176.031 174.600 -0.371 0.000 1.031 229 S CA 0.592 58.581 58.200 -0.351 0.000 0.982 229 S CB -1.305 61.812 63.200 -0.139 0.000 0.853 229 S HN 0.687 nan 8.310 nan 0.000 0.458 230 W N 1.594 122.772 121.300 -0.204 0.000 2.747 230 W HA 0.138 4.808 4.660 0.017 0.000 0.244 230 W C 1.341 177.644 176.519 -0.360 0.000 1.270 230 W CA 0.658 57.864 57.345 -0.231 0.000 1.333 230 W CB -0.774 28.542 29.460 -0.239 0.000 1.139 230 W HN 0.455 nan 8.180 nan 0.000 0.662 231 Q N 0.784 120.095 119.800 -0.815 0.000 2.135 231 Q HA 0.035 4.402 4.340 0.045 0.000 0.222 231 Q C 1.274 176.941 176.000 -0.554 0.000 0.808 231 Q CA -0.042 55.260 55.803 -0.834 0.000 1.049 231 Q CB 0.316 28.244 28.738 -1.351 0.000 1.168 231 Q HN 0.311 nan 8.270 nan 0.000 0.483 232 E N -0.145 119.824 120.200 -0.386 0.000 2.299 232 E HA -0.049 4.328 4.350 0.045 0.000 0.193 232 E C 1.161 177.646 176.600 -0.192 0.000 0.998 232 E CA 0.424 56.656 56.400 -0.279 0.000 0.851 232 E CB 0.317 29.886 29.700 -0.218 0.000 0.795 232 E HN 0.219 nan 8.360 nan 0.000 0.492 233 R N 0.383 120.800 120.500 -0.138 0.000 2.317 233 R HA 0.185 4.552 4.340 0.045 0.000 0.208 233 R C 1.823 178.084 176.300 -0.064 0.000 0.914 233 R CA 0.383 56.438 56.100 -0.075 0.000 1.060 233 R CB 0.281 30.564 30.300 -0.028 0.000 1.015 233 R HN 0.020 nan 8.270 nan 0.000 0.498 234 A N 1.139 123.884 122.820 -0.124 0.000 2.167 234 A HA -0.066 4.281 4.320 0.045 0.000 0.214 234 A C 0.274 177.772 177.584 -0.144 0.000 1.151 234 A CA 0.517 52.473 52.037 -0.135 0.000 0.735 234 A CB -0.370 18.412 19.000 -0.363 0.000 0.802 234 A HN 0.578 nan 8.150 nan 0.000 0.467 235 N N -1.382 117.218 118.700 -0.166 0.000 2.783 235 N HA -0.125 4.641 4.740 0.045 0.000 0.247 235 N C -0.573 174.860 175.510 -0.129 0.000 1.089 235 N CA 0.123 53.113 53.050 -0.099 0.000 0.690 235 N CB -1.487 37.002 38.487 0.004 0.000 0.991 235 N HN 0.210 nan 8.380 nan 0.000 0.552 236 V N 1.369 121.075 119.914 -0.348 0.000 2.673 236 V HA 0.150 4.297 4.120 0.045 0.000 0.303 236 V C -0.749 175.268 176.094 -0.127 0.000 1.046 236 V CA -0.327 61.745 62.300 -0.381 0.000 1.126 236 V CB 0.425 31.902 31.823 -0.576 0.000 0.934 236 V HN 0.176 nan 8.190 nan 0.000 0.487 237 P HA 0.451 nan 4.420 nan 0.000 0.279 237 P C -2.763 174.533 177.300 -0.007 0.000 1.276 237 P CA -1.788 61.316 63.100 0.006 0.000 0.801 237 P CB 0.616 32.352 31.700 0.059 0.000 1.127 238 P HA 0.069 nan 4.420 nan 0.000 0.278 238 P C 0.142 177.488 177.300 0.076 0.000 1.258 238 P CA -0.204 62.909 63.100 0.022 0.000 0.811 238 P CB 0.528 32.238 31.700 0.016 0.000 1.063 239 S N 0.084 115.836 115.700 0.086 0.000 2.559 239 S HA 0.129 4.626 4.470 0.045 0.000 0.282 239 S C 1.437 176.104 174.600 0.112 0.000 1.336 239 S CA 0.222 58.513 58.200 0.151 0.000 1.037 239 S CB -0.295 62.979 63.200 0.123 0.000 0.853 239 S HN 0.517 nan 8.310 nan 0.000 0.523 240 A N 3.940 126.796 122.820 0.062 0.000 2.218 240 A HA 0.210 4.556 4.320 0.045 0.000 0.209 240 A C 0.803 178.382 177.584 -0.008 0.000 1.168 240 A CA -0.017 51.938 52.037 -0.137 0.000 0.804 240 A CB -0.616 17.960 19.000 -0.707 0.000 0.834 240 A HN 0.885 nan 8.150 nan 0.000 0.482 241 N N 1.112 119.860 118.700 0.081 0.000 2.525 241 N HA 0.298 5.065 4.740 0.045 0.000 0.271 241 N C -2.739 172.810 175.510 0.065 0.000 1.194 241 N CA -1.459 51.656 53.050 0.108 0.000 0.964 241 N CB 0.412 38.962 38.487 0.104 0.000 1.126 241 N HN 0.020 nan 8.380 nan 0.000 0.452 242 P HA -0.077 nan 4.420 nan 0.000 0.264 242 P C 0.769 178.090 177.300 0.034 0.000 1.173 242 P CA 0.884 64.007 63.100 0.038 0.000 0.761 242 P CB 0.360 32.080 31.700 0.033 0.000 0.794 243 G N 2.560 111.376 108.800 0.026 0.000 2.241 243 G HA2 -0.198 3.789 3.960 0.045 0.000 0.244 243 G HA3 -0.198 3.789 3.960 0.045 0.000 0.244 243 G C 0.658 175.571 174.900 0.023 0.000 0.998 243 G CA 0.348 45.461 45.100 0.023 0.000 0.621 243 G HN 0.948 nan 8.290 nan 0.000 0.519 244 A N -0.260 122.578 122.820 0.030 0.000 2.500 244 A HA 0.242 4.588 4.320 0.045 0.000 0.296 244 A C 2.060 179.659 177.584 0.025 0.000 1.469 244 A CA 1.891 53.947 52.037 0.031 0.000 0.793 244 A CB -1.487 17.527 19.000 0.023 0.000 1.042 244 A HN 2.456 nan 8.150 nan 0.000 0.409 245 G N -0.436 108.381 108.800 0.029 0.000 2.732 245 G HA2 0.431 4.418 3.960 0.045 0.000 0.244 245 G HA3 0.431 4.418 3.960 0.045 0.000 0.244 245 G C 0.359 175.266 174.900 0.012 0.000 1.226 245 G CA 0.567 45.678 45.100 0.018 0.000 0.860 245 G HN 1.419 nan 8.290 nan 0.000 0.583 246 S N -1.280 114.416 115.700 -0.007 0.000 2.617 246 S HA 0.808 5.305 4.470 0.045 0.000 0.283 246 S C 0.237 174.822 174.600 -0.025 0.000 1.189 246 S CA 0.237 58.419 58.200 -0.030 0.000 1.036 246 S CB 1.185 64.354 63.200 -0.052 0.000 1.014 246 S HN 1.567 nan 8.310 nan 0.000 0.522 247 G N 2.483 111.255 108.800 -0.048 0.000 2.547 247 G HA2 0.344 4.331 3.960 0.045 0.000 0.291 247 G HA3 0.344 4.331 3.960 0.045 0.000 0.291 247 G C -1.385 173.466 174.900 -0.082 0.000 1.471 247 G CA -0.959 44.126 45.100 -0.026 0.000 0.798 247 G HN 0.681 nan 8.290 nan 0.000 0.504 248 R N 0.659 121.126 120.500 -0.054 0.000 2.513 248 R HA 0.166 4.533 4.340 0.045 0.000 0.333 248 R C 0.758 177.022 176.300 -0.059 0.000 0.925 248 R CA 0.566 56.589 56.100 -0.129 0.000 1.072 248 R CB -0.403 29.866 30.300 -0.052 0.000 0.914 248 R HN 0.774 nan 8.270 nan 0.000 0.408 249 G N 2.472 111.187 108.800 -0.142 0.000 2.569 249 G HA2 0.389 4.376 3.960 0.045 0.000 0.249 249 G HA3 0.389 4.376 3.960 0.045 0.000 0.249 249 G C -0.795 174.315 174.900 0.349 0.000 1.216 249 G CA -0.510 44.650 45.100 0.100 0.000 0.845 249 G HN 0.453 nan 8.290 nan 0.000 0.568 250 V N 3.017 123.172 119.914 0.401 0.000 2.841 250 V HA 0.542 4.689 4.120 0.045 0.000 0.310 250 V C -2.000 174.185 176.094 0.152 0.000 1.090 250 V CA -1.239 61.232 62.300 0.286 0.000 0.930 250 V CB 2.515 34.447 31.823 0.181 0.000 1.014 250 V HN 0.740 nan 8.190 nan 0.000 0.425 251 P HA 0.463 nan 4.420 nan 0.000 0.325 251 P C -0.543 176.926 177.300 0.281 0.000 1.298 251 P CA -0.208 62.990 63.100 0.165 0.000 0.771 251 P CB 1.874 33.633 31.700 0.098 0.000 1.389 252 D N -1.688 118.876 120.400 0.274 0.000 2.338 252 D HA 0.121 4.788 4.640 0.045 0.000 0.208 252 D C 0.691 177.040 176.300 0.081 0.000 0.997 252 D CA 0.945 55.156 54.000 0.351 0.000 0.880 252 D CB 0.497 41.511 40.800 0.357 0.000 0.980 252 D HN 0.267 nan 8.370 nan 0.000 0.509 253 V N -3.229 116.729 119.914 0.072 0.000 3.258 253 V HA 0.892 5.039 4.120 0.045 0.000 0.299 253 V C -1.632 174.553 176.094 0.151 0.000 1.376 253 V CA -1.043 61.282 62.300 0.042 0.000 1.063 253 V CB 1.778 33.635 31.823 0.057 0.000 1.103 253 V HN 0.035 nan 8.190 nan 0.000 0.451 254 A N -0.377 122.559 122.820 0.194 0.000 2.569 254 A HA 1.105 5.452 4.320 0.045 0.000 0.290 254 A C -0.105 177.669 177.584 0.316 0.000 1.136 254 A CA -0.258 51.919 52.037 0.232 0.000 0.710 254 A CB 1.514 20.584 19.000 0.117 0.000 1.303 254 A HN 2.658 nan 8.150 nan 0.000 0.413 255 G N -0.467 108.470 108.800 0.229 0.000 2.645 255 G HA2 0.461 4.448 3.960 0.045 0.000 0.292 255 G HA3 0.461 4.448 3.960 0.045 0.000 0.292 255 G C -1.176 173.855 174.900 0.218 0.000 1.415 255 G CA -0.716 44.546 45.100 0.271 0.000 0.785 255 G HN 0.917 nan 8.290 nan 0.000 0.483 256 N N -0.215 118.638 118.700 0.254 0.000 2.359 256 N HA 0.364 5.131 4.740 0.045 0.000 0.261 256 N C 0.714 176.260 175.510 0.061 0.000 1.267 256 N CA 1.149 54.240 53.050 0.068 0.000 0.864 256 N CB 1.119 39.520 38.487 -0.142 0.000 1.063 256 N HN 0.895 nan 8.380 nan 0.000 0.474 257 A N 2.642 125.384 122.820 -0.129 0.000 2.710 257 A HA 0.094 4.441 4.320 0.045 0.000 0.212 257 A C -0.024 176.841 177.584 -1.198 0.000 1.358 257 A CA -0.367 51.429 52.037 -0.401 0.000 1.048 257 A CB 0.004 18.891 19.000 -0.188 0.000 1.345 257 A HN 0.628 nan 8.150 nan 0.000 0.583 258 D N 1.138 120.948 120.400 -0.982 0.000 2.371 258 D HA 0.275 4.942 4.640 0.045 0.000 0.256 258 D C -1.690 174.262 176.300 -0.579 0.000 1.193 258 D CA -1.657 51.651 54.000 -1.153 0.000 0.881 258 D CB 1.517 42.109 40.800 -0.347 0.000 1.143 258 D HN 0.006 nan 8.370 nan 0.000 0.473 259 P HA -0.119 nan 4.420 nan 0.000 0.216 259 P C 0.879 178.105 177.300 -0.125 0.000 1.150 259 P CA 1.379 64.359 63.100 -0.200 0.000 0.837 259 P CB 0.142 31.799 31.700 -0.071 0.000 0.786 260 A N -0.776 121.998 122.820 -0.077 0.000 2.186 260 A HA -0.116 4.231 4.320 0.045 0.000 0.219 260 A C 1.499 179.025 177.584 -0.096 0.000 1.159 260 A CA 2.077 54.083 52.037 -0.052 0.000 0.680 260 A CB -1.415 17.586 19.000 0.002 0.000 0.787 260 A HN 0.364 nan 8.150 nan 0.000 0.467 261 T N -4.402 110.072 114.554 -0.135 0.000 3.604 261 T HA 0.472 4.849 4.350 0.045 0.000 0.305 261 T C 0.726 175.307 174.700 -0.199 0.000 0.978 261 T CA 0.336 62.346 62.100 -0.150 0.000 0.999 261 T CB -0.318 68.523 68.868 -0.044 0.000 1.204 261 T HN 0.540 nan 8.240 nan 0.000 0.476 262 G N 0.791 109.467 108.800 -0.206 0.000 2.593 262 G HA2 0.390 4.377 3.960 0.045 0.000 0.279 262 G HA3 0.390 4.377 3.960 0.045 0.000 0.279 262 G C -0.791 173.948 174.900 -0.268 0.000 1.329 262 G CA -0.434 44.543 45.100 -0.206 0.000 1.036 262 G HN 0.495 nan 8.290 nan 0.000 0.555 263 Y N -0.699 119.561 120.300 -0.067 0.000 2.334 263 Y HA 0.315 4.891 4.550 0.044 0.000 0.328 263 Y C 0.806 176.687 175.900 -0.031 0.000 1.130 263 Y CA -0.458 57.625 58.100 -0.028 0.000 1.163 263 Y CB 1.365 39.794 38.460 -0.053 0.000 1.207 263 Y HN 0.439 nan 8.280 nan 0.000 0.471 264 E N 3.522 123.804 120.200 0.136 0.000 2.229 264 E HA 0.471 4.847 4.350 0.045 0.000 0.283 264 E C -1.145 175.527 176.600 0.121 0.000 1.030 264 E CA -0.278 56.179 56.400 0.096 0.000 0.836 264 E CB 0.812 30.569 29.700 0.094 0.000 1.068 264 E HN 0.582 nan 8.360 nan 0.000 0.401 265 V N 0.748 120.644 119.914 -0.029 0.000 3.103 265 V HA 0.629 4.776 4.120 0.045 0.000 0.311 265 V C -0.829 175.124 176.094 -0.236 0.000 1.322 265 V CA -0.940 61.167 62.300 -0.320 0.000 1.063 265 V CB 1.978 33.597 31.823 -0.340 0.000 1.090 265 V HN 0.332 nan 8.190 nan 0.000 0.462 266 V N 1.754 121.443 119.914 -0.375 0.000 2.398 266 V HA 0.532 4.679 4.120 0.045 0.000 0.282 266 V C -1.142 174.848 176.094 -0.173 0.000 1.014 266 V CA 0.014 62.205 62.300 -0.180 0.000 0.838 266 V CB 0.991 32.759 31.823 -0.092 0.000 1.018 266 V HN 0.682 nan 8.190 nan 0.000 0.432 267 I N 3.887 124.393 120.570 -0.107 0.000 2.362 267 I HA 0.541 4.738 4.170 0.045 0.000 0.289 267 I C 0.316 176.412 176.117 -0.035 0.000 0.994 267 I CA -0.164 61.093 61.300 -0.073 0.000 1.158 267 I CB 1.191 39.154 38.000 -0.063 0.000 1.315 267 I HN 0.546 nan 8.210 nan 0.000 0.451 268 D N 5.658 126.049 120.400 -0.015 0.000 2.689 268 D HA -0.192 4.475 4.640 0.045 0.000 0.237 268 D C 1.290 177.587 176.300 -0.004 0.000 1.148 268 D CA 1.554 55.553 54.000 -0.001 0.000 0.656 268 D CB -1.027 39.775 40.800 0.002 0.000 1.050 268 D HN 1.128 nan 8.370 nan 0.000 0.426 269 G N -0.040 108.756 108.800 -0.007 0.000 2.184 269 G HA2 -0.372 3.615 3.960 0.045 0.000 0.264 269 G HA3 -0.372 3.615 3.960 0.045 0.000 0.264 269 G C 0.138 175.034 174.900 -0.007 0.000 0.975 269 G CA 0.642 45.741 45.100 -0.003 0.000 0.642 269 G HN 0.645 nan 8.290 nan 0.000 0.536 270 E N 0.987 121.177 120.200 -0.016 0.000 2.134 270 E HA 0.534 4.911 4.350 0.045 0.000 0.278 270 E C -0.330 176.255 176.600 -0.025 0.000 0.959 270 E CA -0.408 55.982 56.400 -0.017 0.000 0.783 270 E CB 0.656 30.346 29.700 -0.017 0.000 1.095 270 E HN 0.064 nan 8.360 nan 0.000 0.399 271 T N 4.277 118.823 114.554 -0.013 0.000 2.737 271 T HA 0.301 4.677 4.350 0.045 0.000 0.296 271 T C -0.200 174.491 174.700 -0.016 0.000 0.922 271 T CA -0.079 62.015 62.100 -0.009 0.000 1.079 271 T CB 0.830 69.704 68.868 0.010 0.000 0.892 271 T HN 0.677 nan 8.240 nan 0.000 0.514 272 T N -0.313 114.225 114.554 -0.025 0.000 2.612 272 T HA 0.611 4.988 4.350 0.045 0.000 0.296 272 T C -0.968 173.715 174.700 -0.028 0.000 1.148 272 T CA -0.729 61.355 62.100 -0.027 0.000 1.077 272 T CB 0.925 69.775 68.868 -0.030 0.000 1.591 272 T HN 0.229 nan 8.240 nan 0.000 0.479 273 V N 1.046 120.942 119.914 -0.031 0.000 2.407 273 V HA 0.594 4.741 4.120 0.045 0.000 0.291 273 V C -1.150 174.926 176.094 -0.030 0.000 1.018 273 V CA -0.580 61.702 62.300 -0.031 0.000 0.842 273 V CB 0.863 32.656 31.823 -0.050 0.000 0.996 273 V HN 0.695 nan 8.190 nan 0.000 0.426 274 I N 3.881 124.444 120.570 -0.012 0.000 2.441 274 I HA 0.823 5.020 4.170 0.045 0.000 0.295 274 I C 0.792 176.915 176.117 0.010 0.000 0.994 274 I CA 0.465 61.753 61.300 -0.021 0.000 1.144 274 I CB 1.912 39.884 38.000 -0.046 0.000 1.314 274 I HN 0.670 nan 8.210 nan 0.000 0.445 275 G N 2.425 111.185 108.800 -0.067 0.000 3.234 275 G HA2 0.734 4.721 3.960 0.045 0.000 0.159 275 G HA3 0.734 4.721 3.960 0.045 0.000 0.159 275 G C -0.203 174.572 174.900 -0.208 0.000 1.175 275 G CA -0.496 44.516 45.100 -0.148 0.000 0.900 275 G HN 1.108 nan 8.290 nan 0.000 0.621 276 G N -2.036 106.472 108.800 -0.486 0.000 2.716 276 G HA2 0.182 4.169 3.960 0.045 0.000 0.686 276 G HA3 0.182 4.169 3.960 0.045 0.000 0.686 276 G C 0.947 175.802 174.900 -0.075 0.000 1.337 276 G CA 0.562 45.522 45.100 -0.233 0.000 0.829 276 G HN 1.810 nan 8.290 nan 0.000 0.599 277 T N -1.105 113.554 114.554 0.175 0.000 2.869 277 T HA -0.145 4.232 4.350 0.045 0.000 0.270 277 T C 2.481 177.183 174.700 0.003 0.000 1.082 277 T CA 2.369 64.541 62.100 0.120 0.000 1.123 277 T CB -0.291 68.695 68.868 0.197 0.000 0.856 277 T HN 1.108 nan 8.240 nan 0.000 0.499 278 S N 1.931 117.616 115.700 -0.026 0.000 2.392 278 S HA -0.122 4.375 4.470 0.045 0.000 0.232 278 S C 2.535 177.049 174.600 -0.142 0.000 1.041 278 S CA 1.248 59.393 58.200 -0.092 0.000 1.026 278 S CB -0.862 62.252 63.200 -0.143 0.000 0.845 278 S HN 0.856 nan 8.310 nan 0.000 0.465 279 A N 0.692 123.393 122.820 -0.199 0.000 2.015 279 A HA -0.002 4.345 4.320 0.045 0.000 0.219 279 A C 2.250 179.610 177.584 -0.374 0.000 1.163 279 A CA 1.334 53.150 52.037 -0.369 0.000 0.646 279 A CB -0.575 18.090 19.000 -0.559 0.000 0.806 279 A HN 0.397 nan 8.150 nan 0.000 0.448 280 V N -0.354 119.399 119.914 -0.269 0.000 2.453 280 V HA -0.147 4.000 4.120 0.045 0.000 0.247 280 V C 2.938 178.849 176.094 -0.305 0.000 1.048 280 V CA 1.538 63.615 62.300 -0.370 0.000 1.049 280 V CB -1.488 30.159 31.823 -0.293 0.000 0.672 280 V HN 0.553 nan 8.190 nan 0.000 0.457 281 A N 1.693 124.439 122.820 -0.124 0.000 1.851 281 A HA -0.123 4.224 4.320 0.045 0.000 0.216 281 A C 0.902 178.472 177.584 -0.023 0.000 1.195 281 A CA 2.232 54.255 52.037 -0.024 0.000 0.622 281 A CB -2.026 16.982 19.000 0.013 0.000 0.831 281 A HN 0.570 nan 8.150 nan 0.000 0.444 282 P HA -0.162 nan 4.420 nan 0.000 0.216 282 P C 1.720 179.018 177.300 -0.002 0.000 1.150 282 P CA 1.312 64.396 63.100 -0.026 0.000 0.837 282 P CB -0.213 31.451 31.700 -0.059 0.000 0.786 283 L N -0.367 120.800 121.223 -0.093 0.000 1.970 283 L HA -0.136 4.231 4.340 0.045 0.000 0.212 283 L C 2.279 179.308 176.870 0.265 0.000 1.071 283 L CA 2.172 57.012 54.840 0.000 0.000 0.751 283 L CB -1.751 40.162 42.059 -0.244 0.000 0.889 283 L HN -0.211 nan 8.230 nan 0.000 0.432 284 F N 0.052 120.089 119.950 0.144 0.000 2.502 284 F HA 0.153 4.696 4.527 0.028 0.000 0.298 284 F C 2.459 178.253 175.800 -0.010 0.000 1.111 284 F CA 0.345 58.375 58.000 0.050 0.000 1.445 284 F CB -1.748 37.269 39.000 0.029 0.000 1.081 284 F HN 0.235 nan 8.300 nan 0.000 0.558 285 A N 0.104 123.033 122.820 0.182 0.000 1.930 285 A HA 0.049 4.396 4.320 0.045 0.000 0.217 285 A C 2.477 180.109 177.584 0.080 0.000 1.175 285 A CA 1.514 53.611 52.037 0.099 0.000 0.627 285 A CB -0.975 18.068 19.000 0.072 0.000 0.815 285 A HN 0.255 nan 8.150 nan 0.000 0.443 286 A N -0.437 122.456 122.820 0.122 0.000 1.897 286 A HA 0.069 4.416 4.320 0.045 0.000 0.215 286 A C 2.085 179.690 177.584 0.036 0.000 1.181 286 A CA 1.545 53.657 52.037 0.126 0.000 0.620 286 A CB -0.577 18.563 19.000 0.234 0.000 0.821 286 A HN 0.655 nan 8.150 nan 0.000 0.443 287 L N 0.158 121.333 121.223 -0.081 0.000 1.989 287 L HA -0.122 4.245 4.340 0.045 0.000 0.211 287 L C 2.315 179.045 176.870 -0.233 0.000 1.071 287 L CA 2.131 56.701 54.840 -0.451 0.000 0.749 287 L CB -0.792 40.858 42.059 -0.682 0.000 0.890 287 L HN 0.134 nan 8.230 nan 0.000 0.431 288 V N 0.240 120.079 119.914 -0.124 0.000 2.568 288 V HA -0.285 3.862 4.120 0.045 0.000 0.253 288 V C 2.768 178.826 176.094 -0.059 0.000 1.072 288 V CA 1.523 63.770 62.300 -0.088 0.000 1.084 288 V CB -1.268 30.530 31.823 -0.041 0.000 0.676 288 V HN 0.651 nan 8.190 nan 0.000 0.469 289 A N -0.301 122.498 122.820 -0.034 0.000 1.929 289 A HA -0.135 4.211 4.320 0.045 0.000 0.216 289 A C 2.385 179.954 177.584 -0.024 0.000 1.176 289 A CA 1.136 53.165 52.037 -0.015 0.000 0.628 289 A CB -0.366 18.640 19.000 0.011 0.000 0.816 289 A HN 0.475 nan 8.150 nan 0.000 0.444 290 R N -0.479 119.997 120.500 -0.039 0.000 2.073 290 R HA -0.068 4.298 4.340 0.045 0.000 0.234 290 R C 1.994 178.264 176.300 -0.050 0.000 1.134 290 R CA 1.597 57.675 56.100 -0.035 0.000 0.952 290 R CB -0.583 29.690 30.300 -0.046 0.000 0.850 290 R HN 0.554 nan 8.270 nan 0.000 0.433 291 I N 1.537 122.060 120.570 -0.079 0.000 2.113 291 I HA -0.313 3.884 4.170 0.045 0.000 0.238 291 I C 1.963 178.048 176.117 -0.053 0.000 1.070 291 I CA 1.241 62.495 61.300 -0.077 0.000 1.332 291 I CB -0.487 37.450 38.000 -0.106 0.000 1.044 291 I HN 0.146 nan 8.210 nan 0.000 0.402 292 N N 0.750 119.422 118.700 -0.046 0.000 2.049 292 N HA -0.326 4.441 4.740 0.045 0.000 0.198 292 N C 1.776 177.272 175.510 -0.024 0.000 1.030 292 N CA 1.779 54.811 53.050 -0.031 0.000 0.870 292 N CB -0.722 37.752 38.487 -0.022 0.000 1.045 292 N HN 0.509 nan 8.380 nan 0.000 0.434 293 Q N 0.821 120.608 119.800 -0.021 0.000 2.133 293 Q HA -0.236 4.131 4.340 0.045 0.000 0.208 293 Q C 1.852 177.842 176.000 -0.017 0.000 0.991 293 Q CA 2.011 57.805 55.803 -0.015 0.000 0.867 293 Q CB -0.018 28.713 28.738 -0.012 0.000 0.911 293 Q HN 0.101 nan 8.270 nan 0.000 0.417 294 K N 0.306 120.692 120.400 -0.023 0.000 2.062 294 K HA -0.038 4.309 4.320 0.045 0.000 0.205 294 K C 1.951 178.537 176.600 -0.024 0.000 1.051 294 K CA 1.204 57.477 56.287 -0.024 0.000 0.941 294 K CB -0.220 32.262 32.500 -0.030 0.000 0.719 294 K HN 0.340 nan 8.250 nan 0.000 0.440 295 L N -1.320 119.886 121.223 -0.028 0.000 2.217 295 L HA 0.085 4.452 4.340 0.045 0.000 0.211 295 L C 1.631 178.489 176.870 -0.020 0.000 1.107 295 L CA 0.916 55.740 54.840 -0.027 0.000 0.783 295 L CB -0.380 41.659 42.059 -0.032 0.000 0.919 295 L HN 0.589 nan 8.230 nan 0.000 0.442 296 G N 0.066 108.855 108.800 -0.017 0.000 2.241 296 G HA2 -0.247 3.740 3.960 0.045 0.000 0.244 296 G HA3 -0.247 3.740 3.960 0.045 0.000 0.244 296 G C 0.287 175.180 174.900 -0.011 0.000 0.998 296 G CA 0.537 45.629 45.100 -0.013 0.000 0.621 296 G HN 0.352 nan 8.290 nan 0.000 0.519 297 K N 0.261 120.653 120.400 -0.014 0.000 2.443 297 K HA 0.693 5.040 4.320 0.045 0.000 0.251 297 K C -3.419 173.172 176.600 -0.015 0.000 0.972 297 K CA -2.267 54.013 56.287 -0.012 0.000 0.833 297 K CB 2.578 35.071 32.500 -0.011 0.000 1.317 297 K HN 0.110 nan 8.250 nan 0.000 0.441 298 P HA 0.036 nan 4.420 nan 0.000 0.282 298 P C 1.201 178.492 177.300 -0.015 0.000 1.262 298 P CA -0.529 62.563 63.100 -0.013 0.000 0.773 298 P CB 1.113 32.808 31.700 -0.008 0.000 0.879 299 V N 1.222 121.122 119.914 -0.023 0.000 2.867 299 V HA 0.015 4.162 4.120 0.045 0.000 0.260 299 V C 1.464 177.551 176.094 -0.011 0.000 1.099 299 V CA 1.462 63.744 62.300 -0.029 0.000 1.122 299 V CB -1.979 29.815 31.823 -0.049 0.000 0.708 299 V HN 0.841 nan 8.190 nan 0.000 0.490 300 G N 0.046 108.849 108.800 0.004 0.000 2.660 300 G HA2 -0.411 3.576 3.960 0.045 0.000 0.321 300 G HA3 -0.411 3.576 3.960 0.045 0.000 0.321 300 G C 0.099 175.050 174.900 0.085 0.000 1.246 300 G CA 0.774 45.895 45.100 0.034 0.000 1.000 300 G HN 0.984 nan 8.290 nan 0.000 0.550 301 Y N 1.285 121.549 120.300 -0.060 0.000 2.402 301 Y HA 0.476 5.046 4.550 0.032 0.000 0.333 301 Y C 1.604 177.424 175.900 -0.133 0.000 1.076 301 Y CA -0.379 57.668 58.100 -0.088 0.000 1.299 301 Y CB 0.313 38.738 38.460 -0.058 0.000 1.197 301 Y HN 0.362 nan 8.280 nan 0.000 0.517 302 L N 4.817 125.922 121.223 -0.195 0.000 2.500 302 L HA -0.026 4.341 4.340 0.045 0.000 0.219 302 L C 1.782 178.331 176.870 -0.534 0.000 1.057 302 L CA 0.166 54.822 54.840 -0.307 0.000 0.854 302 L CB -0.247 41.722 42.059 -0.150 0.000 1.078 302 L HN 0.736 nan 8.230 nan 0.000 0.480 303 N N 0.957 119.196 118.700 -0.769 0.000 2.122 303 N HA -0.249 4.518 4.740 0.045 0.000 0.199 303 N C -1.126 173.742 175.510 -1.070 0.000 1.007 303 N CA 1.763 54.239 53.050 -0.957 0.000 0.892 303 N CB -1.156 36.442 38.487 -1.482 0.000 1.050 303 N HN 0.279 nan 8.380 nan 0.000 0.468 304 P HA -0.064 nan 4.420 nan 0.000 0.213 304 P C 1.463 178.596 177.300 -0.278 0.000 1.170 304 P CA 1.446 64.085 63.100 -0.767 0.000 0.893 304 P CB -0.152 31.141 31.700 -0.678 0.000 0.784 305 T N 0.363 114.749 114.554 -0.281 0.000 2.624 305 T HA -0.187 4.190 4.350 0.045 0.000 0.268 305 T C 1.770 176.441 174.700 -0.049 0.000 1.041 305 T CA 1.321 63.342 62.100 -0.132 0.000 1.159 305 T CB -1.184 67.601 68.868 -0.139 0.000 0.863 305 T HN 0.012 nan 8.240 nan 0.000 0.434 306 L N -0.548 120.641 121.223 -0.057 0.000 2.021 306 L HA -0.185 4.182 4.340 0.045 0.000 0.215 306 L C 2.359 179.265 176.870 0.061 0.000 1.074 306 L CA 1.770 56.643 54.840 0.055 0.000 0.760 306 L CB -0.694 41.398 42.059 0.055 0.000 0.889 306 L HN 0.326 nan 8.230 nan 0.000 0.433 307 Y N 0.334 120.621 120.300 -0.022 0.000 2.616 307 Y HA -0.193 4.375 4.550 0.029 0.000 0.296 307 Y C 2.522 178.437 175.900 0.024 0.000 1.154 307 Y CA 0.970 59.086 58.100 0.025 0.000 1.325 307 Y CB -0.332 38.209 38.460 0.134 0.000 1.007 307 Y HN 0.455 nan 8.280 nan 0.000 0.542 308 Q N -1.200 118.678 119.800 0.129 0.000 2.317 308 Q HA 0.193 4.560 4.340 0.045 0.000 0.220 308 Q C 0.323 176.357 176.000 0.057 0.000 0.873 308 Q CA 0.037 55.889 55.803 0.080 0.000 0.936 308 Q CB 0.030 28.803 28.738 0.058 0.000 1.105 308 Q HN 0.283 nan 8.270 nan 0.000 0.520 309 L N 3.070 124.335 121.223 0.071 0.000 2.479 309 L HA 0.210 4.577 4.340 0.045 0.000 0.270 309 L C -1.740 175.177 176.870 0.079 0.000 1.236 309 L CA -1.656 53.228 54.840 0.073 0.000 0.823 309 L CB -0.156 41.970 42.059 0.112 0.000 1.098 309 L HN 0.172 nan 8.230 nan 0.000 0.500 310 P HA 0.228 nan 4.420 nan 0.000 0.281 310 P C -2.314 175.033 177.300 0.079 0.000 1.264 310 P CA -1.650 61.479 63.100 0.049 0.000 0.824 310 P CB 0.647 32.358 31.700 0.019 0.000 1.092 311 P HA -0.252 nan 4.420 nan 0.000 0.218 311 P C 1.275 178.614 177.300 0.065 0.000 1.165 311 P CA 1.914 65.055 63.100 0.070 0.000 0.922 311 P CB -0.285 31.431 31.700 0.027 0.000 0.794 312 E N -0.060 120.150 120.200 0.017 0.000 2.394 312 E HA -0.113 4.264 4.350 0.045 0.000 0.202 312 E C 1.930 178.499 176.600 -0.051 0.000 1.029 312 E CA 0.833 57.224 56.400 -0.014 0.000 0.855 312 E CB -1.598 28.088 29.700 -0.023 0.000 0.770 312 E HN 0.204 nan 8.360 nan 0.000 0.527 313 V N -0.256 119.622 119.914 -0.060 0.000 2.719 313 V HA -0.027 4.119 4.120 0.045 0.000 0.252 313 V C 0.649 176.424 176.094 -0.531 0.000 1.065 313 V CA 1.003 63.127 62.300 -0.293 0.000 1.086 313 V CB -0.534 31.074 31.823 -0.359 0.000 0.700 313 V HN 0.047 nan 8.190 nan 0.000 0.467 314 F N -1.496 118.407 119.950 -0.079 0.000 2.563 314 F HA 0.518 5.072 4.527 0.044 0.000 0.316 314 F C 0.116 175.897 175.800 -0.033 0.000 1.076 314 F CA -1.180 56.775 58.000 -0.075 0.000 0.921 314 F CB 0.938 39.875 39.000 -0.104 0.000 1.209 314 F HN -0.124 nan 8.300 nan 0.000 0.462 315 H N 2.288 121.421 119.070 0.105 0.000 2.580 315 H HA 0.125 4.707 4.556 0.044 0.000 0.322 315 H C -1.161 174.205 175.328 0.063 0.000 1.082 315 H CA -0.166 55.921 56.048 0.065 0.000 1.383 315 H CB 1.122 30.915 29.762 0.051 0.000 1.450 315 H HN 0.548 nan 8.280 nan 0.000 0.505 316 D N 5.641 126.059 120.400 0.030 0.000 2.313 316 D HA 0.157 4.824 4.640 0.045 0.000 0.239 316 D C 0.010 176.403 176.300 0.155 0.000 1.142 316 D CA -0.470 53.576 54.000 0.076 0.000 0.847 316 D CB 0.225 41.017 40.800 -0.013 0.000 1.082 316 D HN 0.478 nan 8.370 nan 0.000 0.480 317 I N 3.307 123.954 120.570 0.128 0.000 2.352 317 I HA 0.107 4.304 4.170 0.045 0.000 0.290 317 I C 1.476 177.617 176.117 0.041 0.000 1.036 317 I CA -0.070 61.291 61.300 0.103 0.000 1.336 317 I CB 1.368 39.407 38.000 0.066 0.000 1.407 317 I HN 0.454 nan 8.210 nan 0.000 0.497 318 T N 0.359 114.943 114.554 0.050 0.000 3.004 318 T HA 0.287 4.664 4.350 0.045 0.000 0.266 318 T C 0.385 175.102 174.700 0.028 0.000 0.986 318 T CA -0.322 61.794 62.100 0.027 0.000 0.902 318 T CB 0.088 68.973 68.868 0.028 0.000 1.118 318 T HN 0.491 nan 8.240 nan 0.000 0.522 319 E N 0.941 121.164 120.200 0.038 0.000 2.195 319 E HA 0.615 4.992 4.350 0.045 0.000 0.271 319 E C 0.144 176.766 176.600 0.036 0.000 0.923 319 E CA -0.529 55.893 56.400 0.036 0.000 0.790 319 E CB 1.679 31.405 29.700 0.043 0.000 1.155 319 E HN 0.561 nan 8.360 nan 0.000 0.402 320 G N 2.200 111.019 108.800 0.031 0.000 2.612 320 G HA2 -0.091 3.896 3.960 0.045 0.000 0.686 320 G HA3 -0.091 3.896 3.960 0.045 0.000 0.686 320 G C -1.083 173.832 174.900 0.024 0.000 1.274 320 G CA -0.503 44.616 45.100 0.031 0.000 0.849 320 G HN 0.740 nan 8.290 nan 0.000 0.595 321 N N -1.264 117.449 118.700 0.021 0.000 2.697 321 N HA 0.694 5.460 4.740 0.045 0.000 0.272 321 N C 0.066 175.582 175.510 0.009 0.000 1.381 321 N CA -0.335 52.728 53.050 0.023 0.000 0.797 321 N CB 1.228 39.728 38.487 0.023 0.000 1.523 321 N HN 0.858 nan 8.380 nan 0.000 0.518 322 N N -1.195 117.517 118.700 0.020 0.000 2.480 322 N HA 0.105 4.872 4.740 0.045 0.000 0.281 322 N C -1.336 174.176 175.510 0.003 0.000 1.381 322 N CA -0.304 52.738 53.050 -0.013 0.000 0.903 322 N CB -0.019 38.468 38.487 0.001 0.000 1.274 322 N HN 0.613 nan 8.380 nan 0.000 0.505 323 D N 1.467 121.872 120.400 0.009 0.000 2.313 323 D HA 0.159 4.826 4.640 0.045 0.000 0.239 323 D C 0.896 177.193 176.300 -0.005 0.000 1.142 323 D CA -0.489 53.528 54.000 0.027 0.000 0.847 323 D CB 0.987 41.806 40.800 0.032 0.000 1.082 323 D HN 0.471 nan 8.370 nan 0.000 0.480 324 I N 0.899 121.460 120.570 -0.014 0.000 3.856 324 I HA 0.487 4.684 4.170 0.045 0.000 0.330 324 I C 0.549 176.651 176.117 -0.024 0.000 1.546 324 I CA -0.511 60.768 61.300 -0.034 0.000 1.132 324 I CB 0.831 38.791 38.000 -0.066 0.000 1.157 324 I HN 0.225 nan 8.210 nan 0.000 0.440 325 A N 0.271 123.081 122.820 -0.015 0.000 2.474 325 A HA 0.437 4.784 4.320 0.045 0.000 0.221 325 A C 0.382 177.955 177.584 -0.019 0.000 1.298 325 A CA -0.123 51.896 52.037 -0.030 0.000 1.008 325 A CB 0.191 19.149 19.000 -0.069 0.000 1.217 325 A HN 0.491 nan 8.150 nan 0.000 0.553 326 N N -1.571 117.132 118.700 0.006 0.000 3.167 326 N HA 0.471 5.238 4.740 0.045 0.000 0.323 326 N C -0.438 175.079 175.510 0.013 0.000 1.478 326 N CA -0.909 52.150 53.050 0.015 0.000 0.753 326 N CB 0.924 39.440 38.487 0.049 0.000 1.721 326 N HN -0.100 nan 8.380 nan 0.000 0.618 327 R N -0.086 120.422 120.500 0.014 0.000 2.549 327 R HA 0.319 4.686 4.340 0.045 0.000 0.344 327 R C 0.204 176.511 176.300 0.011 0.000 0.979 327 R CA -0.072 56.034 56.100 0.010 0.000 1.140 327 R CB 0.204 30.509 30.300 0.007 0.000 1.377 327 R HN 0.555 nan 8.270 nan 0.000 0.541 328 A N 0.844 123.674 122.820 0.017 0.000 2.218 328 A HA 0.069 4.416 4.320 0.045 0.000 0.209 328 A C 0.614 178.192 177.584 -0.010 0.000 1.168 328 A CA 0.016 52.059 52.037 0.010 0.000 0.804 328 A CB -0.144 18.873 19.000 0.029 0.000 0.834 328 A HN 0.294 nan 8.150 nan 0.000 0.482 329 R N -1.511 118.986 120.500 -0.004 0.000 3.516 329 R HA -0.176 4.191 4.340 0.045 0.000 0.271 329 R C -1.005 175.268 176.300 -0.044 0.000 1.098 329 R CA 0.975 57.069 56.100 -0.011 0.000 0.732 329 R CB -2.169 28.131 30.300 0.000 0.000 1.152 329 R HN 0.557 nan 8.270 nan 0.000 0.455 330 I N 0.963 121.459 120.570 -0.123 0.000 2.355 330 I HA 0.272 4.469 4.170 0.045 0.000 0.288 330 I C 0.293 176.197 176.117 -0.354 0.000 0.999 330 I CA -0.692 60.381 61.300 -0.378 0.000 1.163 330 I CB 0.818 38.346 38.000 -0.786 0.000 1.316 330 I HN -0.048 nan 8.210 nan 0.000 0.454 331 Y N 4.564 124.827 120.300 -0.062 0.000 2.376 331 Y HA 0.444 5.021 4.550 0.044 0.000 0.325 331 Y C 0.305 176.175 175.900 -0.049 0.000 1.199 331 Y CA -0.423 57.629 58.100 -0.079 0.000 1.206 331 Y CB 1.353 39.773 38.460 -0.066 0.000 1.229 331 Y HN 0.478 nan 8.280 nan 0.000 0.480 332 Q N 1.522 121.416 119.800 0.157 0.000 2.345 332 Q HA 0.761 5.128 4.340 0.045 0.000 0.268 332 Q C -1.429 174.589 176.000 0.030 0.000 1.054 332 Q CA -0.967 54.876 55.803 0.067 0.000 0.835 332 Q CB 1.778 30.546 28.738 0.049 0.000 1.339 332 Q HN 0.807 nan 8.270 nan 0.000 0.447 333 A N 1.648 124.471 122.820 0.005 0.000 2.293 333 A HA 0.905 5.252 4.320 0.045 0.000 0.302 333 A C -0.079 177.502 177.584 -0.005 0.000 1.119 333 A CA 0.356 52.377 52.037 -0.026 0.000 0.823 333 A CB 1.159 20.140 19.000 -0.031 0.000 1.097 333 A HN 0.862 nan 8.150 nan 0.000 0.491 334 G N -0.225 108.567 108.800 -0.013 0.000 2.619 334 G HA2 0.660 4.647 3.960 0.045 0.000 0.305 334 G HA3 0.660 4.647 3.960 0.045 0.000 0.305 334 G C -3.279 171.624 174.900 0.005 0.000 1.330 334 G CA -0.784 44.320 45.100 0.007 0.000 0.789 334 G HN 0.595 nan 8.290 nan 0.000 0.487 335 P HA 0.373 nan 4.420 nan 0.000 0.265 335 P C 0.787 178.101 177.300 0.024 0.000 1.193 335 P CA 1.731 64.839 63.100 0.014 0.000 0.765 335 P CB 0.676 32.385 31.700 0.015 0.000 0.823 336 G N 2.789 111.598 108.800 0.015 0.000 2.877 336 G HA2 -0.248 3.739 3.960 0.045 0.000 0.279 336 G HA3 -0.248 3.739 3.960 0.045 0.000 0.279 336 G C -0.736 174.203 174.900 0.066 0.000 1.431 336 G CA -0.359 44.763 45.100 0.038 0.000 0.883 336 G HN 0.695 nan 8.290 nan 0.000 0.547 337 W N 1.493 122.732 121.300 -0.101 0.000 2.477 337 W HA 0.355 5.024 4.660 0.014 0.000 0.339 337 W C 0.779 177.264 176.519 -0.057 0.000 1.195 337 W CA 1.544 58.830 57.345 -0.099 0.000 1.324 337 W CB 0.269 29.685 29.460 -0.074 0.000 1.170 337 W HN 1.027 nan 8.180 nan 0.000 0.570 338 D N 4.307 124.324 120.400 -0.638 0.000 2.599 338 D HA 0.302 4.969 4.640 0.045 0.000 0.252 338 D C -2.630 172.872 176.300 -1.330 0.000 1.232 338 D CA -1.693 52.000 54.000 -0.512 0.000 0.819 338 D CB 1.831 42.485 40.800 -0.243 0.000 1.401 338 D HN 0.112 nan 8.370 nan 0.000 0.429 339 P HA 0.192 nan 4.420 nan 0.000 0.235 339 P C -0.124 176.989 177.300 -0.312 0.000 1.725 339 P CA -0.089 62.672 63.100 -0.564 0.000 0.894 339 P CB -0.293 31.091 31.700 -0.526 0.000 1.704 340 C N -1.757 117.339 119.300 -0.339 0.000 3.296 340 C HA 0.139 4.626 4.460 0.045 0.000 0.561 340 C C 1.697 176.594 174.990 -0.155 0.000 1.292 340 C CA 1.023 59.953 59.018 -0.147 0.000 2.601 340 C CB 0.061 27.753 27.740 -0.080 0.000 3.617 340 C HN 0.347 nan 8.230 nan 0.000 0.502 341 T N -2.432 111.954 114.554 -0.280 0.000 3.332 341 T HA 0.474 4.851 4.350 0.045 0.000 0.304 341 T C 1.092 175.575 174.700 -0.362 0.000 0.971 341 T CA 1.158 63.133 62.100 -0.209 0.000 0.954 341 T CB 0.222 69.025 68.868 -0.108 0.000 1.175 341 T HN 0.874 nan 8.240 nan 0.000 0.519 342 G N 2.941 111.297 108.800 -0.739 0.000 2.665 342 G HA2 -0.361 3.625 3.960 0.045 0.000 0.326 342 G HA3 -0.361 3.625 3.960 0.045 0.000 0.326 342 G C 0.738 175.150 174.900 -0.814 0.000 1.231 342 G CA 0.721 45.167 45.100 -1.091 0.000 0.992 342 G HN 0.533 nan 8.290 nan 0.000 0.549 343 L N 2.438 123.377 121.223 -0.473 0.000 2.418 343 L HA 0.430 4.797 4.340 0.045 0.000 0.218 343 L C 1.732 178.327 176.870 -0.458 0.000 1.125 343 L CA 0.965 55.435 54.840 -0.616 0.000 0.835 343 L CB -0.824 40.457 42.059 -1.296 0.000 0.953 343 L HN 1.759 nan 8.230 nan 0.000 0.454 344 G N -0.450 108.201 108.800 -0.248 0.000 2.498 344 G HA2 -0.190 3.797 3.960 0.045 0.000 0.651 344 G HA3 -0.190 3.797 3.960 0.045 0.000 0.651 344 G C -0.343 174.598 174.900 0.069 0.000 1.284 344 G CA -0.368 44.707 45.100 -0.042 0.000 0.950 344 G HN 0.214 nan 8.290 nan 0.000 0.511 345 S N 1.517 117.243 115.700 0.043 0.000 2.531 345 S HA 0.639 5.136 4.470 0.045 0.000 0.279 345 S C -1.517 173.000 174.600 -0.139 0.000 1.305 345 S CA -0.198 57.913 58.200 -0.148 0.000 1.058 345 S CB 1.647 64.540 63.200 -0.511 0.000 0.899 345 S HN 0.771 nan 8.310 nan 0.000 0.493 346 P HA 0.286 nan 4.420 nan 0.000 0.272 346 P C -0.620 176.474 177.300 -0.343 0.000 1.240 346 P CA -0.507 62.293 63.100 -0.500 0.000 0.791 346 P CB 0.478 31.764 31.700 -0.691 0.000 0.978 347 I N 1.033 121.394 120.570 -0.348 0.000 2.621 347 I HA 0.160 4.357 4.170 0.045 0.000 0.276 347 I C 1.867 177.898 176.117 -0.143 0.000 1.118 347 I CA -0.508 60.713 61.300 -0.132 0.000 1.159 347 I CB 0.364 38.304 38.000 -0.101 0.000 1.357 347 I HN 0.482 nan 8.210 nan 0.000 0.513 348 G N 4.313 113.065 108.800 -0.080 0.000 2.878 348 G HA2 -0.401 3.586 3.960 0.045 0.000 0.267 348 G HA3 -0.401 3.586 3.960 0.045 0.000 0.267 348 G C 1.374 176.200 174.900 -0.123 0.000 1.104 348 G CA 1.735 46.753 45.100 -0.136 0.000 0.746 348 G HN 0.565 nan 8.290 nan 0.000 0.696 349 I N 1.201 121.745 120.570 -0.042 0.000 2.163 349 I HA -0.135 4.062 4.170 0.045 0.000 0.243 349 I C 2.872 178.941 176.117 -0.079 0.000 1.085 349 I CA 1.726 62.999 61.300 -0.045 0.000 1.347 349 I CB -0.498 37.498 38.000 -0.007 0.000 1.044 349 I HN 0.271 nan 8.210 nan 0.000 0.408 350 R N -0.437 120.005 120.500 -0.097 0.000 2.075 350 R HA -0.125 4.242 4.340 0.045 0.000 0.232 350 R C 2.199 178.400 176.300 -0.164 0.000 1.126 350 R CA 1.509 57.539 56.100 -0.117 0.000 0.963 350 R CB -0.726 29.502 30.300 -0.121 0.000 0.858 350 R HN 0.350 nan 8.270 nan 0.000 0.435 351 L N 1.249 122.330 121.223 -0.236 0.000 2.127 351 L HA -0.130 4.237 4.340 0.045 0.000 0.211 351 L C 1.916 178.672 176.870 -0.190 0.000 1.089 351 L CA 1.472 56.145 54.840 -0.278 0.000 0.757 351 L CB -0.322 41.511 42.059 -0.378 0.000 0.899 351 L HN 0.190 nan 8.230 nan 0.000 0.434 352 L N -1.391 119.739 121.223 -0.155 0.000 2.068 352 L HA -0.189 4.178 4.340 0.045 0.000 0.204 352 L C 2.519 179.335 176.870 -0.089 0.000 1.076 352 L CA 1.178 55.949 54.840 -0.116 0.000 0.753 352 L CB -0.169 41.832 42.059 -0.097 0.000 0.910 352 L HN 0.340 nan 8.230 nan 0.000 0.439 353 Q N -0.311 119.440 119.800 -0.082 0.000 2.135 353 Q HA -0.216 4.151 4.340 0.045 0.000 0.204 353 Q C 2.179 178.140 176.000 -0.064 0.000 0.981 353 Q CA 1.766 57.531 55.803 -0.063 0.000 0.856 353 Q CB -0.254 28.450 28.738 -0.056 0.000 0.902 353 Q HN 0.689 nan 8.270 nan 0.000 0.425 354 A N -0.317 122.455 122.820 -0.080 0.000 2.067 354 A HA -0.104 4.243 4.320 0.045 0.000 0.219 354 A C 1.651 179.196 177.584 -0.065 0.000 1.158 354 A CA 0.955 52.950 52.037 -0.071 0.000 0.661 354 A CB 0.018 18.966 19.000 -0.085 0.000 0.801 354 A HN 0.237 nan 8.150 nan 0.000 0.452 355 L N -1.237 119.942 121.223 -0.073 0.000 2.515 355 L HA 0.347 4.714 4.340 0.045 0.000 0.223 355 L C 0.720 177.558 176.870 -0.053 0.000 1.079 355 L CA 0.335 55.135 54.840 -0.066 0.000 0.857 355 L CB -0.464 41.547 42.059 -0.080 0.000 1.050 355 L HN 0.299 nan 8.230 nan 0.000 0.476 356 L N 3.023 124.215 121.223 -0.052 0.000 2.562 356 L HA 0.077 4.444 4.340 0.045 0.000 0.271 356 L C -1.063 175.787 176.870 -0.033 0.000 1.167 356 L CA -1.175 53.641 54.840 -0.041 0.000 0.917 356 L CB -0.013 42.022 42.059 -0.040 0.000 1.187 356 L HN 0.169 nan 8.230 nan 0.000 0.482 357 P HA 0.000 nan 4.420 nan 0.000 0.216 357 P CA 0.000 63.086 63.100 -0.023 0.000 0.800 357 P CB 0.000 31.688 31.700 -0.020 0.000 0.726