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 2bfn_1_A DATA FIRST_RESID 3 DATA SEQUENCE LGAKPFGEKK FIEIKGRRMA YIDEGTGDPI LFQHGNPTSS YLWRNIMPHC DATA SEQUENCE AGLGRLIACD LIGMGDSDKL DPSGPERYAY AEHRDYLDAL WEALDLGDRV DATA SEQUENCE VLVVHDWGSA LGFDWARRHR ERVQGIAYME AIAMPIEWAD FPEQDRDLFQ DATA SEQUENCE AFRSQAGEEL VLQDNVFVEQ VLPGLILRPL SEAEMAAYRE PFLAAGEARR DATA SEQUENCE PTLSWPRQIP IAGTPADVVA IARDYAGWLS ESPIPKLFIN AEPGALTTGR DATA SEQUENCE MRDFCRTWPN QTEITVAGAH FIQEDSPDEI GAAIAAFVRR LRPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.869 176.870 -0.001 0.000 1.165 3 L CA 0.000 54.844 54.840 0.006 0.000 0.813 3 L CB 0.000 42.066 42.059 0.012 0.000 0.961 4 G N -0.692 108.103 108.800 -0.007 0.000 2.352 4 G HA2 0.513 4.473 3.960 -0.001 0.000 0.303 4 G HA3 0.513 4.473 3.960 -0.001 0.000 0.303 4 G C -0.095 174.796 174.900 -0.015 0.000 1.593 4 G CA -0.128 44.969 45.100 -0.004 0.000 0.963 4 G HN 0.656 nan 8.290 nan 0.000 0.685 5 A N 0.060 122.895 122.820 0.024 0.000 2.267 5 A HA 0.437 4.757 4.320 -0.001 0.000 0.213 5 A C 1.102 178.755 177.584 0.115 0.000 1.192 5 A CA 0.737 52.825 52.037 0.085 0.000 0.851 5 A CB -0.034 19.030 19.000 0.107 0.000 0.881 5 A HN 0.499 nan 8.150 nan 0.000 0.494 6 K N 1.512 121.943 120.400 0.052 0.000 2.350 6 K HA 0.316 4.635 4.320 -0.001 0.000 0.279 6 K C -2.562 174.071 176.600 0.055 0.000 1.027 6 K CA -1.699 54.629 56.287 0.067 0.000 0.969 6 K CB 0.391 32.913 32.500 0.036 0.000 0.954 6 K HN 0.136 nan 8.250 nan 0.000 0.474 7 P HA 0.001 nan 4.420 nan 0.000 0.272 7 P C -0.877 176.482 177.300 0.097 0.000 1.240 7 P CA -0.290 62.877 63.100 0.113 0.000 0.791 7 P CB 0.378 32.176 31.700 0.165 0.000 0.978 8 F N 0.862 120.785 119.950 -0.045 0.000 2.408 8 F HA 0.539 5.061 4.527 -0.008 0.000 0.344 8 F C 0.861 176.639 175.800 -0.036 0.000 1.112 8 F CA 0.811 58.780 58.000 -0.052 0.000 1.096 8 F CB 0.399 39.353 39.000 -0.078 0.000 1.129 8 F HN 0.745 nan 8.300 nan 0.000 0.486 9 G N 4.503 112.868 108.800 -0.724 0.000 2.697 9 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.240 9 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.240 9 G C -0.858 173.896 174.900 -0.243 0.000 1.346 9 G CA -0.222 44.544 45.100 -0.557 0.000 0.887 9 G HN 0.879 nan 8.290 nan 0.000 0.569 10 E N -0.551 119.535 120.200 -0.189 0.000 2.277 10 E HA 0.535 4.884 4.350 -0.001 0.000 0.266 10 E C -0.370 176.138 176.600 -0.154 0.000 0.901 10 E CA -1.075 55.252 56.400 -0.123 0.000 0.782 10 E CB 1.412 31.058 29.700 -0.090 0.000 1.228 10 E HN 0.375 nan 8.360 nan 0.000 0.424 11 K N 2.021 122.336 120.400 -0.143 0.000 2.368 11 K HA 0.157 4.477 4.320 -0.001 0.000 0.282 11 K C -0.826 175.533 176.600 -0.402 0.000 1.035 11 K CA 0.389 56.491 56.287 -0.308 0.000 0.973 11 K CB 0.527 32.856 32.500 -0.285 0.000 0.957 11 K HN 0.223 nan 8.250 nan 0.000 0.474 12 K N 2.530 122.492 120.400 -0.730 0.000 2.208 12 K HA 0.510 4.830 4.320 -0.001 0.000 0.247 12 K C -0.899 175.153 176.600 -0.913 0.000 0.953 12 K CA -0.736 55.141 56.287 -0.684 0.000 0.837 12 K CB 1.177 33.166 32.500 -0.851 0.000 1.131 12 K HN 0.267 nan 8.250 nan 0.000 0.431 13 F N 1.322 121.210 119.950 -0.104 0.000 2.563 13 F HA 0.606 5.133 4.527 -0.001 0.000 0.316 13 F C -0.321 175.621 175.800 0.235 0.000 1.076 13 F CA -0.934 57.128 58.000 0.104 0.000 0.921 13 F CB 1.562 40.595 39.000 0.055 0.000 1.209 13 F HN 0.286 nan 8.300 nan 0.000 0.462 14 I N 1.218 122.052 120.570 0.441 0.000 2.752 14 I HA 0.305 4.475 4.170 -0.001 0.000 0.295 14 I C -1.241 175.015 176.117 0.231 0.000 1.219 14 I CA -0.509 60.975 61.300 0.306 0.000 1.030 14 I CB 2.068 40.231 38.000 0.273 0.000 1.259 14 I HN 0.682 nan 8.210 nan 0.000 0.423 15 E N 7.241 127.542 120.200 0.169 0.000 2.259 15 E HA 0.382 4.732 4.350 -0.001 0.000 0.281 15 E C -1.362 175.308 176.600 0.117 0.000 1.037 15 E CA -0.391 56.091 56.400 0.137 0.000 0.854 15 E CB 0.815 30.576 29.700 0.101 0.000 1.051 15 E HN 0.351 nan 8.360 nan 0.000 0.409 16 I N 4.839 125.490 120.570 0.134 0.000 2.478 16 I HA 0.123 4.293 4.170 -0.001 0.000 0.287 16 I C -0.072 176.112 176.117 0.113 0.000 1.042 16 I CA -0.644 60.722 61.300 0.111 0.000 1.067 16 I CB 1.530 39.626 38.000 0.160 0.000 1.233 16 I HN 0.791 nan 8.210 nan 0.000 0.431 17 K N 4.199 124.604 120.400 0.007 0.000 3.071 17 K HA -0.243 4.076 4.320 -0.001 0.000 0.262 17 K C 1.011 177.653 176.600 0.071 0.000 0.977 17 K CA 0.735 57.005 56.287 -0.029 0.000 0.721 17 K CB -1.369 30.983 32.500 -0.247 0.000 1.293 17 K HN 1.219 nan 8.250 nan 0.000 0.475 18 G N -0.572 108.270 108.800 0.071 0.000 2.184 18 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.264 18 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.264 18 G C -0.111 174.845 174.900 0.092 0.000 0.975 18 G CA 0.568 45.710 45.100 0.070 0.000 0.642 18 G HN 0.245 nan 8.290 nan 0.000 0.536 19 R N -0.455 120.130 120.500 0.142 0.000 2.778 19 R HA 0.636 4.975 4.340 -0.001 0.000 0.277 19 R C 0.000 176.388 176.300 0.147 0.000 0.977 19 R CA -1.154 55.023 56.100 0.130 0.000 0.950 19 R CB 1.166 31.546 30.300 0.133 0.000 1.165 19 R HN 0.255 nan 8.270 nan 0.000 0.474 20 R N 1.580 122.161 120.500 0.136 0.000 2.254 20 R HA 0.371 4.710 4.340 -0.001 0.000 0.318 20 R C -0.260 176.184 176.300 0.239 0.000 1.031 20 R CA 0.045 56.263 56.100 0.197 0.000 0.905 20 R CB 0.715 31.120 30.300 0.175 0.000 1.050 20 R HN 0.464 nan 8.270 nan 0.000 0.456 21 M N 2.752 122.515 119.600 0.272 0.000 2.436 21 M HA 0.471 4.950 4.480 -0.001 0.000 0.331 21 M C -0.476 175.988 176.300 0.274 0.000 1.135 21 M CA -0.841 54.612 55.300 0.256 0.000 0.987 21 M CB 2.248 34.980 32.600 0.220 0.000 1.687 21 M HN 0.642 nan 8.290 nan 0.000 0.445 22 A N 2.656 125.563 122.820 0.145 0.000 2.325 22 A HA 0.903 5.223 4.320 -0.001 0.000 0.333 22 A C -1.466 176.158 177.584 0.066 0.000 1.155 22 A CA -0.411 51.503 52.037 -0.205 0.000 0.814 22 A CB 0.776 19.560 19.000 -0.360 0.000 1.206 22 A HN 0.843 nan 8.150 nan 0.000 0.482 23 Y N -1.212 118.958 120.300 -0.217 0.000 2.641 23 Y HA 0.687 5.237 4.550 -0.000 0.000 0.333 23 Y C -1.377 174.489 175.900 -0.056 0.000 1.174 23 Y CA -1.528 56.548 58.100 -0.039 0.000 1.057 23 Y CB 0.462 38.948 38.460 0.043 0.000 1.322 23 Y HN 0.534 nan 8.280 nan 0.000 0.457 24 I N 2.499 123.123 120.570 0.089 0.000 2.385 24 I HA 0.418 4.588 4.170 -0.001 0.000 0.294 24 I C -0.965 175.270 176.117 0.196 0.000 0.988 24 I CA -0.215 61.110 61.300 0.042 0.000 1.265 24 I CB 1.504 39.587 38.000 0.140 0.000 1.388 24 I HN 0.660 nan 8.210 nan 0.000 0.480 25 D N 5.668 126.136 120.400 0.114 0.000 2.319 25 D HA 0.238 4.877 4.640 -0.001 0.000 0.237 25 D C -1.124 175.232 176.300 0.093 0.000 1.353 25 D CA -0.327 53.785 54.000 0.186 0.000 0.992 25 D CB 0.954 41.960 40.800 0.344 0.000 1.368 25 D HN 0.308 nan 8.370 nan 0.000 0.564 26 E N 1.501 121.767 120.200 0.110 0.000 2.210 26 E HA 0.661 5.011 4.350 -0.001 0.000 0.266 26 E C 0.610 177.266 176.600 0.093 0.000 0.883 26 E CA -0.591 55.848 56.400 0.066 0.000 0.761 26 E CB 1.814 31.535 29.700 0.035 0.000 1.156 26 E HN 0.736 nan 8.360 nan 0.000 0.412 27 G N 1.914 110.747 108.800 0.056 0.000 2.631 27 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.504 27 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.504 27 G C -0.423 174.504 174.900 0.046 0.000 1.306 27 G CA -0.363 44.771 45.100 0.057 0.000 0.897 27 G HN 0.725 nan 8.290 nan 0.000 0.520 28 T N -2.201 112.376 114.554 0.038 0.000 2.916 28 T HA 1.048 5.397 4.350 -0.001 0.000 0.292 28 T C 0.805 175.518 174.700 0.022 0.000 1.055 28 T CA 0.657 62.773 62.100 0.027 0.000 1.009 28 T CB 1.751 70.631 68.868 0.021 0.000 1.118 28 T HN 2.975 nan 8.240 nan 0.000 0.497 29 G N 1.107 109.915 108.800 0.013 0.000 2.396 29 G HA2 0.066 4.026 3.960 -0.001 0.000 0.254 29 G HA3 0.066 4.026 3.960 -0.001 0.000 0.254 29 G C -1.574 173.323 174.900 -0.005 0.000 1.248 29 G CA -0.723 44.380 45.100 0.004 0.000 1.033 29 G HN 0.898 nan 8.290 nan 0.000 0.502 30 D N 2.164 122.555 120.400 -0.015 0.000 2.382 30 D HA 0.468 5.108 4.640 -0.001 0.000 0.245 30 D C -2.001 174.273 176.300 -0.044 0.000 1.120 30 D CA -0.281 53.701 54.000 -0.030 0.000 0.890 30 D CB 1.049 41.829 40.800 -0.035 0.000 1.201 30 D HN 0.143 nan 8.370 nan 0.000 0.433 31 P HA 0.224 nan 4.420 nan 0.000 0.275 31 P C -0.402 176.816 177.300 -0.136 0.000 1.228 31 P CA -0.080 62.960 63.100 -0.101 0.000 0.786 31 P CB 0.650 32.249 31.700 -0.168 0.000 0.927 32 I N 3.032 123.529 120.570 -0.122 0.000 2.382 32 I HA 0.284 4.453 4.170 -0.001 0.000 0.285 32 I C -0.523 175.413 176.117 -0.302 0.000 1.007 32 I CA -0.784 60.376 61.300 -0.234 0.000 1.142 32 I CB 1.285 39.198 38.000 -0.146 0.000 1.289 32 I HN 0.103 nan 8.210 nan 0.000 0.453 33 L N 7.824 128.754 121.223 -0.488 0.000 2.294 33 L HA 0.549 4.889 4.340 -0.001 0.000 0.283 33 L C -1.261 175.292 176.870 -0.528 0.000 1.015 33 L CA -0.029 54.547 54.840 -0.441 0.000 0.831 33 L CB 0.548 42.206 42.059 -0.667 0.000 1.217 33 L HN 0.219 nan 8.230 nan 0.000 0.420 34 F N 3.694 123.401 119.950 -0.406 0.000 2.404 34 F HA 0.570 5.099 4.527 0.003 0.000 0.354 34 F C 0.218 175.804 175.800 -0.357 0.000 1.122 34 F CA -0.436 57.109 58.000 -0.757 0.000 1.080 34 F CB 1.450 39.696 39.000 -1.256 0.000 1.131 34 F HN 0.407 nan 8.300 nan 0.000 0.471 35 Q N 4.279 124.124 119.800 0.075 0.000 2.339 35 Q HA 0.182 4.521 4.340 -0.001 0.000 0.268 35 Q C -0.289 176.122 176.000 0.685 0.000 1.027 35 Q CA -0.663 55.379 55.803 0.398 0.000 0.759 35 Q CB 0.572 29.496 28.738 0.309 0.000 1.244 35 Q HN 0.677 nan 8.270 nan 0.000 0.464 36 H N 1.369 120.919 119.070 0.801 0.000 2.660 36 H HA 0.632 5.188 4.556 -0.000 0.000 0.374 36 H C -0.321 175.212 175.328 0.341 0.000 1.291 36 H CA 0.167 56.565 56.048 0.584 0.000 1.437 36 H CB 0.772 30.809 29.762 0.459 0.000 1.509 36 H HN 0.638 nan 8.280 nan 0.000 0.614 37 G N 0.366 109.385 108.800 0.364 0.000 3.234 37 G HA2 0.118 4.078 3.960 -0.001 0.000 0.159 37 G HA3 0.118 4.078 3.960 -0.001 0.000 0.159 37 G C -0.716 174.365 174.900 0.303 0.000 1.175 37 G CA -0.779 44.396 45.100 0.126 0.000 0.900 37 G HN 0.695 nan 8.290 nan 0.000 0.621 38 N N 1.159 119.952 118.700 0.156 0.000 2.456 38 N HA 0.525 5.265 4.740 -0.001 0.000 0.288 38 N C -2.413 173.313 175.510 0.360 0.000 1.059 38 N CA -1.981 51.152 53.050 0.138 0.000 0.946 38 N CB 2.305 40.725 38.487 -0.112 0.000 1.150 38 N HN 0.076 nan 8.380 nan 0.000 0.479 39 P HA 0.193 nan 4.420 nan 0.000 0.223 39 P C -0.614 176.862 177.300 0.294 0.000 1.878 39 P CA -0.262 62.926 63.100 0.147 0.000 1.038 39 P CB -0.010 31.677 31.700 -0.023 0.000 1.774 40 T N -2.307 112.454 114.554 0.345 0.000 2.898 40 T HA 0.743 5.092 4.350 -0.001 0.000 0.283 40 T C 0.426 175.105 174.700 -0.035 0.000 1.059 40 T CA -0.425 61.856 62.100 0.301 0.000 0.958 40 T CB 0.805 69.874 68.868 0.337 0.000 1.594 40 T HN 0.254 nan 8.240 nan 0.000 0.598 41 S N -1.229 114.316 115.700 -0.259 0.000 2.757 41 S HA 0.389 4.858 4.470 -0.001 0.000 0.285 41 S C 1.347 175.855 174.600 -0.154 0.000 1.196 41 S CA 0.008 57.778 58.200 -0.717 0.000 0.856 41 S CB 0.623 63.724 63.200 -0.165 0.000 1.212 41 S HN 1.280 nan 8.310 nan 0.000 0.516 42 S N 0.061 115.847 115.700 0.143 0.000 2.420 42 S HA -0.238 4.232 4.470 -0.001 0.000 0.237 42 S C 1.521 176.302 174.600 0.303 0.000 1.023 42 S CA 1.595 60.024 58.200 0.381 0.000 0.991 42 S CB -1.272 62.116 63.200 0.313 0.000 0.792 42 S HN 0.806 nan 8.310 nan 0.000 0.488 43 Y N 2.019 122.345 120.300 0.042 0.000 2.241 43 Y HA -0.108 4.442 4.550 0.001 0.000 0.286 43 Y C 2.080 177.952 175.900 -0.046 0.000 1.166 43 Y CA 1.242 59.311 58.100 -0.053 0.000 1.203 43 Y CB -0.551 37.767 38.460 -0.236 0.000 0.977 43 Y HN 0.335 nan 8.280 nan 0.000 0.529 44 L N -0.893 120.354 121.223 0.039 0.000 2.129 44 L HA -0.209 4.131 4.340 -0.001 0.000 0.212 44 L C 1.138 177.797 176.870 -0.351 0.000 1.087 44 L CA 1.900 56.649 54.840 -0.151 0.000 0.757 44 L CB -0.653 41.209 42.059 -0.327 0.000 0.896 44 L HN 0.347 nan 8.230 nan 0.000 0.434 45 W N -0.318 120.955 121.300 -0.046 0.000 3.316 45 W HA 0.193 4.851 4.660 -0.004 0.000 0.327 45 W C 2.214 178.558 176.519 -0.291 0.000 1.232 45 W CA -0.044 57.204 57.345 -0.162 0.000 1.805 45 W CB -0.134 29.197 29.460 -0.215 0.000 1.090 45 W HN 0.102 nan 8.180 nan 0.000 0.654 46 R N 0.554 120.982 120.500 -0.120 0.000 2.127 46 R HA -0.114 4.225 4.340 -0.001 0.000 0.238 46 R C 0.932 177.148 176.300 -0.140 0.000 1.134 46 R CA 1.517 57.531 56.100 -0.144 0.000 0.975 46 R CB -0.603 29.522 30.300 -0.292 0.000 0.865 46 R HN 0.121 nan 8.270 nan 0.000 0.447 47 N N 0.124 118.750 118.700 -0.122 0.000 2.280 47 N HA 0.157 4.896 4.740 -0.001 0.000 0.192 47 N C 1.378 176.902 175.510 0.024 0.000 1.109 47 N CA 0.408 53.428 53.050 -0.050 0.000 0.855 47 N CB 0.487 38.953 38.487 -0.036 0.000 0.974 47 N HN 0.339 nan 8.380 nan 0.000 0.482 48 I N 0.108 120.665 120.570 -0.023 0.000 2.947 48 I HA 0.036 4.206 4.170 -0.001 0.000 0.263 48 I C 2.012 178.070 176.117 -0.098 0.000 1.130 48 I CA 0.326 61.652 61.300 0.043 0.000 1.448 48 I CB 0.021 38.131 38.000 0.182 0.000 1.222 48 I HN -0.071 nan 8.210 nan 0.000 0.453 49 M N 0.879 120.172 119.600 -0.511 0.000 2.106 49 M HA -0.171 4.309 4.480 -0.001 0.000 0.259 49 M C -0.547 175.366 176.300 -0.645 0.000 1.068 49 M CA 2.315 57.082 55.300 -0.888 0.000 1.100 49 M CB -1.605 30.110 32.600 -1.474 0.000 1.351 49 M HN 0.069 nan 8.290 nan 0.000 0.404 50 P HA -0.167 nan 4.420 nan 0.000 0.217 50 P C 0.738 177.960 177.300 -0.131 0.000 1.148 50 P CA 1.503 64.461 63.100 -0.237 0.000 0.828 50 P CB -0.259 31.354 31.700 -0.145 0.000 0.783 51 H N -2.551 116.465 119.070 -0.089 0.000 2.489 51 H HA -0.037 4.521 4.556 0.004 0.000 0.293 51 H C 1.251 176.582 175.328 0.006 0.000 1.066 51 H CA 0.969 57.005 56.048 -0.021 0.000 1.305 51 H CB -0.759 29.002 29.762 -0.001 0.000 1.386 51 H HN 0.178 nan 8.280 nan 0.000 0.551 52 C N 0.833 120.198 119.300 0.108 0.000 2.693 52 C HA 0.524 4.983 4.460 -0.001 0.000 0.286 52 C C 1.246 176.281 174.990 0.076 0.000 1.277 52 C CA -0.405 58.676 59.018 0.104 0.000 1.705 52 C CB -1.515 26.323 27.740 0.163 0.000 1.879 52 C HN 0.552 nan 8.230 nan 0.000 0.607 53 A N 0.564 123.419 122.820 0.060 0.000 2.567 53 A HA 0.396 4.715 4.320 -0.001 0.000 0.240 53 A C 1.514 179.133 177.584 0.059 0.000 1.053 53 A CA 1.263 53.346 52.037 0.078 0.000 0.755 53 A CB -0.491 18.552 19.000 0.071 0.000 0.978 53 A HN 1.534 nan 8.150 nan 0.000 0.507 54 G N 1.143 109.980 108.800 0.061 0.000 2.184 54 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.264 54 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.264 54 G C 0.637 175.558 174.900 0.035 0.000 0.975 54 G CA 0.656 45.781 45.100 0.043 0.000 0.642 54 G HN 0.889 nan 8.290 nan 0.000 0.536 55 L N 0.145 121.393 121.223 0.041 0.000 2.567 55 L HA 0.518 4.858 4.340 -0.001 0.000 0.225 55 L C 1.444 178.324 176.870 0.017 0.000 1.119 55 L CA 0.711 55.567 54.840 0.026 0.000 0.871 55 L CB -0.000 42.077 42.059 0.030 0.000 1.036 55 L HN 0.704 nan 8.230 nan 0.000 0.459 56 G N -0.173 108.646 108.800 0.032 0.000 2.315 56 G HA2 0.163 4.123 3.960 -0.001 0.000 0.294 56 G HA3 0.163 4.123 3.960 -0.001 0.000 0.294 56 G C -1.634 173.294 174.900 0.047 0.000 1.300 56 G CA -0.898 44.216 45.100 0.023 0.000 0.843 56 G HN -0.077 nan 8.290 nan 0.000 0.527 57 R N 0.355 120.875 120.500 0.035 0.000 2.216 57 R HA 0.508 4.847 4.340 -0.001 0.000 0.332 57 R C -0.458 175.891 176.300 0.081 0.000 1.056 57 R CA -0.431 55.701 56.100 0.053 0.000 0.901 57 R CB 0.033 30.348 30.300 0.025 0.000 1.039 57 R HN 0.363 nan 8.270 nan 0.000 0.456 58 L N 7.305 128.614 121.223 0.144 0.000 2.255 58 L HA 0.430 4.770 4.340 -0.001 0.000 0.289 58 L C -0.261 176.737 176.870 0.214 0.000 1.046 58 L CA -0.446 54.523 54.840 0.215 0.000 0.816 58 L CB 1.001 43.198 42.059 0.230 0.000 1.197 58 L HN 0.566 nan 8.230 nan 0.000 0.427 59 I N 3.022 123.720 120.570 0.213 0.000 2.465 59 I HA 0.679 4.849 4.170 -0.001 0.000 0.291 59 I C -0.190 176.061 176.117 0.224 0.000 1.014 59 I CA -0.520 60.888 61.300 0.179 0.000 1.093 59 I CB 2.190 40.216 38.000 0.043 0.000 1.267 59 I HN 0.634 nan 8.210 nan 0.000 0.431 60 A N 5.312 128.282 122.820 0.249 0.000 2.446 60 A HA 0.620 4.940 4.320 -0.001 0.000 0.282 60 A C -0.966 176.833 177.584 0.359 0.000 1.102 60 A CA -0.380 51.831 52.037 0.290 0.000 0.737 60 A CB 0.832 19.994 19.000 0.270 0.000 1.212 60 A HN 0.745 nan 8.150 nan 0.000 0.434 61 C N 1.559 121.103 119.300 0.406 0.000 2.370 61 C HA 0.582 5.042 4.460 -0.001 0.000 0.354 61 C C -0.124 175.143 174.990 0.463 0.000 1.218 61 C CA -0.547 58.718 59.018 0.412 0.000 2.154 61 C CB 0.700 28.678 27.740 0.396 0.000 2.391 61 C HN 0.772 nan 8.230 nan 0.000 0.540 62 D N 2.423 123.059 120.400 0.394 0.000 2.280 62 D HA 0.356 4.996 4.640 -0.001 0.000 0.243 62 D C 0.199 176.755 176.300 0.426 0.000 1.129 62 D CA 0.071 54.348 54.000 0.461 0.000 0.848 62 D CB 0.749 41.699 40.800 0.250 0.000 1.107 62 D HN 0.382 nan 8.370 nan 0.000 0.471 63 L N 1.909 123.463 121.223 0.552 0.000 2.499 63 L HA 0.023 4.362 4.340 -0.001 0.000 0.281 63 L C 0.985 178.066 176.870 0.352 0.000 1.234 63 L CA -0.494 54.576 54.840 0.384 0.000 0.839 63 L CB 0.207 42.498 42.059 0.387 0.000 1.104 63 L HN 0.311 nan 8.230 nan 0.000 0.500 64 I N 1.780 122.508 120.570 0.263 0.000 2.775 64 I HA 0.094 4.264 4.170 -0.001 0.000 0.290 64 I C 1.195 177.420 176.117 0.180 0.000 1.203 64 I CA 1.548 62.882 61.300 0.056 0.000 1.433 64 I CB 0.632 38.413 38.000 -0.365 0.000 1.354 64 I HN 0.764 nan 8.210 nan 0.000 0.579 65 G N 5.503 114.393 108.800 0.149 0.000 2.189 65 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.267 65 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.267 65 G C 0.239 175.191 174.900 0.086 0.000 0.975 65 G CA 0.673 45.849 45.100 0.128 0.000 0.644 65 G HN 0.569 nan 8.290 nan 0.000 0.537 66 M N -0.926 118.769 119.600 0.159 0.000 2.690 66 M HA 0.591 5.070 4.480 -0.001 0.000 0.302 66 M C 1.297 177.630 176.300 0.054 0.000 1.234 66 M CA -0.122 55.274 55.300 0.160 0.000 0.853 66 M CB 1.850 34.706 32.600 0.427 0.000 1.748 66 M HN 1.210 nan 8.290 nan 0.000 0.469 67 G N 1.045 109.808 108.800 -0.061 0.000 2.611 67 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.301 67 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.301 67 G C 0.012 174.883 174.900 -0.048 0.000 1.233 67 G CA 0.579 45.644 45.100 -0.059 0.000 0.993 67 G HN 0.813 nan 8.290 nan 0.000 0.553 68 D N 1.220 121.640 120.400 0.033 0.000 2.342 68 D HA 0.307 4.947 4.640 -0.001 0.000 0.221 68 D C 0.965 177.385 176.300 0.201 0.000 1.101 68 D CA 0.551 54.621 54.000 0.118 0.000 0.837 68 D CB 0.281 41.198 40.800 0.195 0.000 0.938 68 D HN 0.258 nan 8.370 nan 0.000 0.508 69 S N 1.081 116.868 115.700 0.144 0.000 2.592 69 S HA 0.069 4.538 4.470 -0.001 0.000 0.271 69 S C 0.204 174.869 174.600 0.109 0.000 1.326 69 S CA -0.530 57.767 58.200 0.161 0.000 1.024 69 S CB 1.247 64.540 63.200 0.155 0.000 0.921 69 S HN 0.069 nan 8.310 nan 0.000 0.527 70 D N 2.330 122.789 120.400 0.100 0.000 2.423 70 D HA 0.096 4.736 4.640 -0.001 0.000 0.238 70 D C 0.207 176.528 176.300 0.036 0.000 1.142 70 D CA 0.200 54.232 54.000 0.053 0.000 0.884 70 D CB 0.465 41.290 40.800 0.041 0.000 1.199 70 D HN 0.188 nan 8.370 nan 0.000 0.438 71 K N 1.351 121.778 120.400 0.045 0.000 2.295 71 K HA 0.250 4.570 4.320 -0.001 0.000 0.270 71 K C 0.030 176.642 176.600 0.021 0.000 1.011 71 K CA -0.345 55.999 56.287 0.095 0.000 0.953 71 K CB 0.500 33.056 32.500 0.093 0.000 0.956 71 K HN 0.364 nan 8.250 nan 0.000 0.477 72 L N 2.882 124.099 121.223 -0.010 0.000 2.281 72 L HA 0.162 4.502 4.340 -0.001 0.000 0.285 72 L C 0.200 177.004 176.870 -0.110 0.000 1.074 72 L CA -0.460 54.254 54.840 -0.210 0.000 0.817 72 L CB 0.443 42.147 42.059 -0.593 0.000 1.168 72 L HN 0.679 nan 8.230 nan 0.000 0.434 73 D N 4.092 124.447 120.400 -0.074 0.000 2.481 73 D HA 0.554 5.194 4.640 -0.001 0.000 0.244 73 D C -2.642 173.626 176.300 -0.054 0.000 1.057 73 D CA -1.799 52.174 54.000 -0.046 0.000 0.848 73 D CB 1.704 42.495 40.800 -0.016 0.000 1.388 73 D HN 0.174 nan 8.370 nan 0.000 0.475 74 P HA 0.161 nan 4.420 nan 0.000 0.281 74 P C -0.672 176.593 177.300 -0.059 0.000 1.252 74 P CA -0.454 62.623 63.100 -0.039 0.000 0.778 74 P CB 1.586 33.268 31.700 -0.030 0.000 0.895 75 S N 1.572 117.255 115.700 -0.028 0.000 2.654 75 S HA 0.825 5.294 4.470 -0.001 0.000 0.283 75 S C 0.089 174.690 174.600 0.002 0.000 1.180 75 S CA 0.163 58.353 58.200 -0.016 0.000 1.021 75 S CB 0.567 63.825 63.200 0.097 0.000 1.018 75 S HN 0.823 nan 8.310 nan 0.000 0.532 76 G N 1.843 110.646 108.800 0.006 0.000 2.340 76 G HA2 0.387 4.347 3.960 -0.001 0.000 0.299 76 G HA3 0.387 4.347 3.960 -0.001 0.000 0.299 76 G C -2.865 172.040 174.900 0.007 0.000 1.291 76 G CA -0.634 44.470 45.100 0.007 0.000 0.841 76 G HN 0.390 nan 8.290 nan 0.000 0.500 77 P HA 0.032 nan 4.420 nan 0.000 0.225 77 P C 1.054 178.348 177.300 -0.008 0.000 1.148 77 P CA 1.024 64.126 63.100 0.004 0.000 0.779 77 P CB 0.332 32.038 31.700 0.009 0.000 0.780 78 E N -1.026 119.160 120.200 -0.025 0.000 2.478 78 E HA 0.049 4.398 4.350 -0.001 0.000 0.194 78 E C 0.640 177.191 176.600 -0.081 0.000 1.045 78 E CA 0.336 56.712 56.400 -0.041 0.000 0.868 78 E CB 0.104 29.781 29.700 -0.039 0.000 0.885 78 E HN 0.240 nan 8.360 nan 0.000 0.505 79 R N 0.159 120.598 120.500 -0.103 0.000 2.500 79 R HA 0.179 4.519 4.340 -0.001 0.000 0.277 79 R C -0.015 176.184 176.300 -0.168 0.000 1.026 79 R CA -0.748 55.208 56.100 -0.240 0.000 1.058 79 R CB 0.000 30.074 30.300 -0.377 0.000 1.078 79 R HN 0.078 nan 8.270 nan 0.000 0.509 80 Y N -2.471 117.642 120.300 -0.312 0.000 4.272 80 Y HA -0.282 4.268 4.550 -0.000 0.000 0.232 80 Y C 0.567 176.180 175.900 -0.478 0.000 1.149 80 Y CA 0.458 58.257 58.100 -0.501 0.000 1.961 80 Y CB -2.293 35.888 38.460 -0.466 0.000 1.611 80 Y HN 0.737 nan 8.280 nan 0.000 0.682 81 A N -0.260 122.438 122.820 -0.203 0.000 2.386 81 A HA 0.295 4.614 4.320 -0.001 0.000 0.246 81 A C 1.130 178.637 177.584 -0.128 0.000 1.089 81 A CA 0.297 52.243 52.037 -0.153 0.000 0.790 81 A CB 0.071 19.045 19.000 -0.044 0.000 1.042 81 A HN 0.500 nan 8.150 nan 0.000 0.497 82 Y N 1.063 121.287 120.300 -0.126 0.000 2.114 82 Y HA -0.219 4.331 4.550 -0.001 0.000 0.282 82 Y C 2.381 178.359 175.900 0.130 0.000 1.165 82 Y CA 2.860 60.999 58.100 0.066 0.000 1.148 82 Y CB -0.426 38.159 38.460 0.209 0.000 0.972 82 Y HN 0.621 nan 8.280 nan 0.000 0.504 83 A N -0.134 122.801 122.820 0.192 0.000 1.933 83 A HA -0.232 4.087 4.320 -0.001 0.000 0.218 83 A C 2.198 179.777 177.584 -0.008 0.000 1.175 83 A CA 1.859 53.963 52.037 0.113 0.000 0.628 83 A CB -0.857 18.228 19.000 0.141 0.000 0.814 83 A HN 0.683 nan 8.150 nan 0.000 0.444 84 E N -1.168 119.008 120.200 -0.040 0.000 2.047 84 E HA -0.214 4.136 4.350 -0.001 0.000 0.191 84 E C 1.943 178.539 176.600 -0.006 0.000 0.987 84 E CA 0.906 57.276 56.400 -0.049 0.000 0.799 84 E CB -0.242 29.372 29.700 -0.143 0.000 0.752 84 E HN 0.721 nan 8.360 nan 0.000 0.449 85 H N 0.244 119.251 119.070 -0.106 0.000 2.353 85 H HA -0.144 4.412 4.556 -0.000 0.000 0.298 85 H C 2.318 177.590 175.328 -0.093 0.000 1.103 85 H CA 1.834 57.838 56.048 -0.074 0.000 1.293 85 H CB -0.111 29.592 29.762 -0.098 0.000 1.372 85 H HN 0.168 nan 8.280 nan 0.000 0.501 86 R N 0.752 121.188 120.500 -0.107 0.000 2.081 86 R HA -0.128 4.212 4.340 -0.001 0.000 0.235 86 R C 1.651 177.914 176.300 -0.061 0.000 1.131 86 R CA 1.753 57.762 56.100 -0.153 0.000 0.960 86 R CB 0.057 30.234 30.300 -0.205 0.000 0.856 86 R HN 0.197 nan 8.270 nan 0.000 0.436 87 D N -0.421 119.951 120.400 -0.046 0.000 2.123 87 D HA -0.183 4.457 4.640 -0.001 0.000 0.196 87 D C 1.704 177.902 176.300 -0.171 0.000 0.992 87 D CA 1.409 55.346 54.000 -0.104 0.000 0.833 87 D CB -0.342 40.366 40.800 -0.153 0.000 0.954 87 D HN 0.317 nan 8.370 nan 0.000 0.455 88 Y N 0.198 120.444 120.300 -0.090 0.000 2.163 88 Y HA -0.084 4.465 4.550 -0.001 0.000 0.288 88 Y C 2.246 178.073 175.900 -0.122 0.000 1.136 88 Y CA 0.471 58.523 58.100 -0.080 0.000 1.147 88 Y CB -0.431 37.989 38.460 -0.067 0.000 0.987 88 Y HN -0.061 nan 8.280 nan 0.000 0.509 89 L N 0.139 121.327 121.223 -0.058 0.000 2.056 89 L HA -0.195 4.144 4.340 -0.001 0.000 0.207 89 L C 1.640 178.223 176.870 -0.478 0.000 1.078 89 L CA 1.827 56.436 54.840 -0.385 0.000 0.749 89 L CB -0.707 41.003 42.059 -0.581 0.000 0.901 89 L HN 0.081 nan 8.230 nan 0.000 0.433 90 D N -0.320 119.951 120.400 -0.214 0.000 2.104 90 D HA -0.174 4.465 4.640 -0.001 0.000 0.194 90 D C 2.198 178.532 176.300 0.057 0.000 0.994 90 D CA 1.575 55.591 54.000 0.026 0.000 0.830 90 D CB -0.189 40.690 40.800 0.132 0.000 0.959 90 D HN 0.466 nan 8.370 nan 0.000 0.452 91 A N 0.264 123.076 122.820 -0.013 0.000 1.930 91 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 91 A C 2.098 179.699 177.584 0.028 0.000 1.175 91 A CA 0.881 52.920 52.037 0.003 0.000 0.627 91 A CB -0.618 18.343 19.000 -0.065 0.000 0.815 91 A HN 0.252 nan 8.150 nan 0.000 0.443 92 L N -1.350 119.876 121.223 0.004 0.000 2.017 92 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 92 L C 2.152 179.097 176.870 0.125 0.000 1.073 92 L CA 1.779 56.636 54.840 0.027 0.000 0.745 92 L CB -0.802 41.261 42.059 0.007 0.000 0.894 92 L HN 0.558 nan 8.230 nan 0.000 0.432 93 W N 0.282 121.513 121.300 -0.116 0.000 2.363 93 W HA -0.150 4.510 4.660 -0.001 0.000 0.296 93 W C 2.710 179.188 176.519 -0.068 0.000 1.212 93 W CA 1.294 58.537 57.345 -0.170 0.000 1.260 93 W CB -0.985 28.270 29.460 -0.341 0.000 1.131 93 W HN 0.330 nan 8.180 nan 0.000 0.530 94 E N 0.429 120.760 120.200 0.219 0.000 2.051 94 E HA -0.143 4.207 4.350 -0.001 0.000 0.192 94 E C 2.233 178.885 176.600 0.086 0.000 0.991 94 E CA 2.098 58.588 56.400 0.151 0.000 0.799 94 E CB -0.637 29.145 29.700 0.137 0.000 0.748 94 E HN 0.001 nan 8.360 nan 0.000 0.449 95 A N 0.233 123.090 122.820 0.061 0.000 2.015 95 A HA -0.054 4.266 4.320 -0.001 0.000 0.219 95 A C 2.112 179.697 177.584 0.001 0.000 1.163 95 A CA 1.030 53.084 52.037 0.029 0.000 0.646 95 A CB -0.515 18.496 19.000 0.020 0.000 0.806 95 A HN 0.349 nan 8.150 nan 0.000 0.448 96 L N -0.946 120.263 121.223 -0.024 0.000 2.554 96 L HA -0.012 4.327 4.340 -0.001 0.000 0.226 96 L C 0.336 177.189 176.870 -0.027 0.000 1.137 96 L CA 0.385 55.185 54.840 -0.067 0.000 0.863 96 L CB -0.398 41.574 42.059 -0.145 0.000 0.985 96 L HN 0.395 nan 8.230 nan 0.000 0.451 97 D N 0.360 120.762 120.400 0.003 0.000 2.828 97 D HA -0.206 4.434 4.640 -0.001 0.000 0.241 97 D C 0.687 176.986 176.300 -0.002 0.000 1.142 97 D CA 0.409 54.418 54.000 0.015 0.000 0.755 97 D CB -0.907 39.905 40.800 0.020 0.000 1.014 97 D HN 0.206 nan 8.370 nan 0.000 0.420 98 L N 0.380 121.596 121.223 -0.011 0.000 2.418 98 L HA 0.247 4.587 4.340 -0.001 0.000 0.218 98 L C 2.072 178.936 176.870 -0.010 0.000 1.125 98 L CA 0.592 55.403 54.840 -0.049 0.000 0.835 98 L CB -0.610 41.379 42.059 -0.118 0.000 0.953 98 L HN 0.634 nan 8.230 nan 0.000 0.454 99 G N 1.624 110.439 108.800 0.025 0.000 2.642 99 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.231 99 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.231 99 G C -0.184 174.748 174.900 0.053 0.000 1.338 99 G CA 0.125 45.244 45.100 0.032 0.000 0.883 99 G HN 0.461 nan 8.290 nan 0.000 0.570 100 D N -1.058 119.367 120.400 0.041 0.000 2.538 100 D HA 0.266 4.906 4.640 -0.001 0.000 0.231 100 D C 0.864 177.188 176.300 0.041 0.000 1.229 100 D CA -0.191 53.839 54.000 0.051 0.000 0.828 100 D CB 0.295 41.119 40.800 0.040 0.000 1.035 100 D HN 0.385 nan 8.370 nan 0.000 0.495 101 R N 0.931 121.445 120.500 0.025 0.000 2.653 101 R HA 0.303 4.643 4.340 -0.001 0.000 0.269 101 R C -1.010 175.282 176.300 -0.013 0.000 1.603 101 R CA -0.454 55.651 56.100 0.007 0.000 1.671 101 R CB 1.376 31.670 30.300 -0.011 0.000 1.300 101 R HN -0.006 nan 8.270 nan 0.000 0.668 102 V N 1.588 121.507 119.914 0.008 0.000 2.509 102 V HA 0.316 4.435 4.120 -0.001 0.000 0.284 102 V C 0.570 176.632 176.094 -0.053 0.000 1.047 102 V CA -0.686 61.585 62.300 -0.048 0.000 0.952 102 V CB 2.092 33.891 31.823 -0.040 0.000 0.988 102 V HN 0.074 nan 8.190 nan 0.000 0.469 103 V N 6.549 126.390 119.914 -0.122 0.000 2.370 103 V HA 0.404 4.523 4.120 -0.001 0.000 0.279 103 V C -0.028 175.948 176.094 -0.196 0.000 1.029 103 V CA -0.413 61.818 62.300 -0.115 0.000 0.870 103 V CB 1.403 33.138 31.823 -0.146 0.000 0.984 103 V HN 0.608 nan 8.190 nan 0.000 0.451 104 L N 5.543 126.704 121.223 -0.103 0.000 2.307 104 L HA 0.621 4.961 4.340 -0.001 0.000 0.282 104 L C -0.567 176.201 176.870 -0.169 0.000 1.051 104 L CA -0.571 54.169 54.840 -0.168 0.000 0.804 104 L CB 1.773 43.832 42.059 0.001 0.000 1.197 104 L HN 0.351 nan 8.230 nan 0.000 0.431 105 V N 4.228 123.918 119.914 -0.373 0.000 2.409 105 V HA 0.513 4.632 4.120 -0.001 0.000 0.290 105 V C -0.259 175.690 176.094 -0.241 0.000 1.017 105 V CA -0.615 61.450 62.300 -0.391 0.000 0.841 105 V CB 1.872 33.139 31.823 -0.927 0.000 1.003 105 V HN 0.532 nan 8.190 nan 0.000 0.426 106 V N 1.142 121.098 119.914 0.071 0.000 2.962 106 V HA 0.736 4.856 4.120 -0.001 0.000 0.313 106 V C -0.949 175.380 176.094 0.392 0.000 1.099 106 V CA -0.550 61.870 62.300 0.200 0.000 0.971 106 V CB 2.253 34.063 31.823 -0.021 0.000 1.028 106 V HN 0.966 nan 8.190 nan 0.000 0.430 107 H N 1.037 120.257 119.070 0.250 0.000 2.954 107 H HA 0.363 4.920 4.556 0.002 0.000 0.361 107 H C -0.009 175.330 175.328 0.018 0.000 1.122 107 H CA 0.590 56.722 56.048 0.140 0.000 1.217 107 H CB 2.419 32.273 29.762 0.154 0.000 1.776 107 H HN 1.190 nan 8.280 nan 0.000 0.533 108 D N 2.383 122.482 120.400 -0.501 0.000 3.608 108 D HA -0.342 4.298 4.640 -0.001 0.000 0.152 108 D C 0.711 176.738 176.300 -0.454 0.000 0.971 108 D CA 2.475 56.164 54.000 -0.519 0.000 1.072 108 D CB -0.975 39.492 40.800 -0.556 0.000 0.507 108 D HN 0.656 nan 8.370 nan 0.000 0.520 109 W N 0.186 121.249 121.300 -0.396 0.000 2.421 109 W HA 0.136 4.795 4.660 -0.001 0.000 0.270 109 W C 2.497 178.795 176.519 -0.368 0.000 1.233 109 W CA 0.712 57.724 57.345 -0.555 0.000 1.226 109 W CB -0.494 28.142 29.460 -1.374 0.000 1.121 109 W HN 0.428 nan 8.180 nan 0.000 0.579 110 G N -0.123 108.641 108.800 -0.061 0.000 2.432 110 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.219 110 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.219 110 G C 1.565 176.429 174.900 -0.059 0.000 1.135 110 G CA 1.460 46.564 45.100 0.008 0.000 0.767 110 G HN 0.327 nan 8.290 nan 0.000 0.550 111 S N 1.015 116.585 115.700 -0.217 0.000 2.371 111 S HA 0.238 4.708 4.470 -0.001 0.000 0.224 111 S C 2.625 176.821 174.600 -0.673 0.000 1.029 111 S CA 1.304 59.109 58.200 -0.660 0.000 0.978 111 S CB -0.429 62.316 63.200 -0.758 0.000 0.833 111 S HN 0.525 nan 8.310 nan 0.000 0.466 112 A N 2.258 124.951 122.820 -0.211 0.000 1.883 112 A HA 0.093 4.413 4.320 -0.001 0.000 0.217 112 A C 2.346 180.126 177.584 0.327 0.000 1.186 112 A CA 1.574 53.696 52.037 0.141 0.000 0.624 112 A CB -0.996 18.256 19.000 0.420 0.000 0.822 112 A HN 0.530 nan 8.150 nan 0.000 0.444 113 L N -0.797 120.644 121.223 0.364 0.000 2.017 113 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 113 L C 2.870 179.894 176.870 0.256 0.000 1.073 113 L CA 1.269 56.293 54.840 0.307 0.000 0.745 113 L CB -0.779 41.330 42.059 0.083 0.000 0.894 113 L HN 0.491 nan 8.230 nan 0.000 0.432 114 G N -0.702 108.197 108.800 0.164 0.000 2.402 114 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.216 114 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.216 114 G C 1.342 176.452 174.900 0.350 0.000 1.162 114 G CA 0.307 45.585 45.100 0.297 0.000 0.777 114 G HN 0.139 nan 8.290 nan 0.000 0.539 115 F N 1.415 121.387 119.950 0.037 0.000 2.134 115 F HA 0.007 4.534 4.527 -0.000 0.000 0.299 115 F C 2.262 178.076 175.800 0.024 0.000 1.097 115 F CA 0.799 58.722 58.000 -0.128 0.000 1.264 115 F CB -0.912 37.598 39.000 -0.817 0.000 1.001 115 F HN 0.206 nan 8.300 nan 0.000 0.479 116 D N -1.178 119.399 120.400 0.295 0.000 2.097 116 D HA -0.266 4.374 4.640 -0.001 0.000 0.195 116 D C 2.197 178.710 176.300 0.355 0.000 0.989 116 D CA 1.310 55.568 54.000 0.430 0.000 0.827 116 D CB -0.473 40.679 40.800 0.586 0.000 0.966 116 D HN 0.296 nan 8.370 nan 0.000 0.456 117 W N 1.039 122.498 121.300 0.264 0.000 2.358 117 W HA -0.103 4.558 4.660 0.001 0.000 0.303 117 W C 2.298 178.979 176.519 0.270 0.000 1.208 117 W CA 2.322 59.860 57.345 0.321 0.000 1.274 117 W CB -0.407 29.305 29.460 0.420 0.000 1.138 117 W HN 0.063 nan 8.180 nan 0.000 0.515 118 A N 0.422 123.547 122.820 0.508 0.000 1.902 118 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 118 A C 2.070 179.474 177.584 -0.300 0.000 1.181 118 A CA 1.803 54.023 52.037 0.306 0.000 0.623 118 A CB -0.989 18.340 19.000 0.549 0.000 0.818 118 A HN 0.403 nan 8.150 nan 0.000 0.443 119 R N -0.390 119.760 120.500 -0.584 0.000 2.091 119 R HA -0.120 4.219 4.340 -0.001 0.000 0.238 119 R C 2.239 178.056 176.300 -0.804 0.000 1.136 119 R CA 1.677 56.989 56.100 -1.313 0.000 0.959 119 R CB -0.204 29.684 30.300 -0.688 0.000 0.856 119 R HN 0.516 nan 8.270 nan 0.000 0.437 120 R N -1.384 118.827 120.500 -0.481 0.000 2.193 120 R HA -0.001 4.339 4.340 -0.001 0.000 0.213 120 R C 0.562 176.400 176.300 -0.770 0.000 1.055 120 R CA 0.705 56.488 56.100 -0.528 0.000 0.995 120 R CB 0.176 30.228 30.300 -0.413 0.000 0.893 120 R HN 0.384 nan 8.270 nan 0.000 0.459 121 H N 0.060 118.772 119.070 -0.597 0.000 2.562 121 H HA 0.140 4.696 4.556 -0.000 0.000 0.249 121 H C 0.906 176.007 175.328 -0.379 0.000 1.195 121 H CA -0.136 55.538 56.048 -0.624 0.000 0.938 121 H CB 0.570 29.550 29.762 -1.304 0.000 1.891 121 H HN 0.231 nan 8.280 nan 0.000 0.595 122 R N 0.446 120.809 120.500 -0.228 0.000 2.127 122 R HA -0.098 4.242 4.340 -0.001 0.000 0.238 122 R C 0.679 177.010 176.300 0.051 0.000 1.134 122 R CA 1.154 57.233 56.100 -0.035 0.000 0.975 122 R CB 0.009 30.298 30.300 -0.018 0.000 0.865 122 R HN 0.042 nan 8.270 nan 0.000 0.447 123 E N 1.217 121.413 120.200 -0.007 0.000 2.338 123 E HA -0.094 4.256 4.350 -0.001 0.000 0.197 123 E C 1.501 178.125 176.600 0.040 0.000 1.007 123 E CA 0.809 57.221 56.400 0.020 0.000 0.849 123 E CB -0.034 29.663 29.700 -0.005 0.000 0.774 123 E HN 0.527 nan 8.360 nan 0.000 0.506 124 R N 0.163 120.692 120.500 0.049 0.000 2.334 124 R HA 0.164 4.503 4.340 -0.001 0.000 0.216 124 R C 0.087 176.467 176.300 0.134 0.000 0.905 124 R CA -0.023 56.129 56.100 0.087 0.000 1.064 124 R CB 0.903 31.265 30.300 0.104 0.000 1.046 124 R HN -0.133 nan 8.270 nan 0.000 0.508 125 V N 1.648 121.651 119.914 0.148 0.000 2.333 125 V HA 0.077 4.196 4.120 -0.001 0.000 0.274 125 V C 0.935 177.102 176.094 0.120 0.000 1.028 125 V CA -0.195 62.216 62.300 0.185 0.000 0.851 125 V CB 1.414 33.404 31.823 0.278 0.000 1.000 125 V HN 0.199 nan 8.190 nan 0.000 0.456 126 Q N 3.669 123.510 119.800 0.067 0.000 2.269 126 Q HA 0.259 4.599 4.340 -0.001 0.000 0.201 126 Q C 0.785 176.784 176.000 -0.001 0.000 0.946 126 Q CA 1.016 56.825 55.803 0.010 0.000 0.877 126 Q CB 0.585 29.298 28.738 -0.043 0.000 0.963 126 Q HN 0.921 nan 8.270 nan 0.000 0.472 127 G N -0.123 108.708 108.800 0.051 0.000 2.579 127 G HA2 0.481 4.441 3.960 -0.001 0.000 0.292 127 G HA3 0.481 4.441 3.960 -0.001 0.000 0.292 127 G C -1.763 173.309 174.900 0.286 0.000 1.484 127 G CA -0.780 44.408 45.100 0.148 0.000 0.813 127 G HN 0.133 nan 8.290 nan 0.000 0.515 128 I N 0.928 121.764 120.570 0.443 0.000 2.478 128 I HA 0.595 4.764 4.170 -0.001 0.000 0.287 128 I C 0.219 176.558 176.117 0.369 0.000 1.042 128 I CA -0.900 60.629 61.300 0.383 0.000 1.067 128 I CB 2.159 40.383 38.000 0.374 0.000 1.233 128 I HN 0.702 nan 8.210 nan 0.000 0.431 129 A N 6.704 129.679 122.820 0.259 0.000 2.288 129 A HA 0.827 5.146 4.320 -0.001 0.000 0.320 129 A C -1.198 176.534 177.584 0.247 0.000 1.217 129 A CA -0.328 51.756 52.037 0.078 0.000 0.840 129 A CB 0.600 19.576 19.000 -0.039 0.000 1.179 129 A HN 0.694 nan 8.150 nan 0.000 0.504 130 Y N 0.208 120.603 120.300 0.159 0.000 2.553 130 Y HA 0.829 5.379 4.550 0.000 0.000 0.347 130 Y C -0.840 175.219 175.900 0.265 0.000 1.019 130 Y CA -1.692 56.552 58.100 0.240 0.000 1.032 130 Y CB 1.605 40.308 38.460 0.405 0.000 1.284 130 Y HN 0.818 nan 8.280 nan 0.000 0.466 131 M N 1.037 120.848 119.600 0.352 0.000 2.414 131 M HA 0.456 4.936 4.480 -0.001 0.000 0.287 131 M C -1.226 175.258 176.300 0.306 0.000 1.181 131 M CA -0.721 54.725 55.300 0.243 0.000 0.933 131 M CB 2.455 35.115 32.600 0.100 0.000 1.732 131 M HN 0.804 nan 8.290 nan 0.000 0.486 132 E N 0.402 120.741 120.200 0.233 0.000 2.210 132 E HA -0.163 4.187 4.350 -0.001 0.000 0.201 132 E C -0.763 175.878 176.600 0.069 0.000 1.339 132 E CA 1.213 57.693 56.400 0.133 0.000 0.699 132 E CB -1.133 28.574 29.700 0.011 0.000 1.126 132 E HN 0.830 nan 8.360 nan 0.000 0.355 133 A N 0.651 123.553 122.820 0.136 0.000 2.299 133 A HA 0.747 5.066 4.320 -0.001 0.000 0.332 133 A C 0.480 178.079 177.584 0.025 0.000 1.131 133 A CA -0.622 51.466 52.037 0.086 0.000 0.844 133 A CB 0.930 20.127 19.000 0.327 0.000 1.251 133 A HN 0.259 nan 8.150 nan 0.000 0.486 134 I N 1.762 122.314 120.570 -0.029 0.000 2.317 134 I HA 0.239 4.409 4.170 -0.001 0.000 0.286 134 I C 1.166 177.482 176.117 0.331 0.000 1.119 134 I CA -0.030 61.264 61.300 -0.011 0.000 1.228 134 I CB 0.924 38.756 38.000 -0.281 0.000 1.476 134 I HN 0.728 nan 8.210 nan 0.000 0.514 135 A N 7.238 130.270 122.820 0.353 0.000 2.178 135 A HA 0.314 4.634 4.320 -0.001 0.000 0.211 135 A C 0.784 178.704 177.584 0.559 0.000 1.157 135 A CA 0.530 52.901 52.037 0.557 0.000 0.780 135 A CB 0.133 19.314 19.000 0.300 0.000 0.828 135 A HN 0.730 nan 8.150 nan 0.000 0.476 136 M N -3.710 116.051 119.600 0.268 0.000 2.790 136 M HA 0.502 4.982 4.480 -0.001 0.000 0.272 136 M C -3.400 172.865 176.300 -0.058 0.000 1.168 136 M CA -1.832 53.492 55.300 0.041 0.000 0.829 136 M CB 0.944 33.469 32.600 -0.125 0.000 1.675 136 M HN -0.255 nan 8.290 nan 0.000 0.505 137 P HA 0.385 nan 4.420 nan 0.000 0.268 137 P C -1.041 176.183 177.300 -0.126 0.000 1.205 137 P CA -0.100 62.926 63.100 -0.123 0.000 0.771 137 P CB 0.304 31.925 31.700 -0.131 0.000 0.858 138 I N -1.639 118.853 120.570 -0.129 0.000 3.294 138 I HA 0.660 4.830 4.170 -0.001 0.000 0.311 138 I C -0.414 175.601 176.117 -0.170 0.000 1.111 138 I CA -1.212 60.010 61.300 -0.129 0.000 0.976 138 I CB 2.000 39.937 38.000 -0.105 0.000 1.260 138 I HN 0.045 nan 8.210 nan 0.000 0.474 139 E N 0.662 120.781 120.200 -0.135 0.000 2.281 139 E HA 0.200 4.550 4.350 -0.001 0.000 0.262 139 E C -0.277 176.253 176.600 -0.116 0.000 0.933 139 E CA -0.479 55.840 56.400 -0.134 0.000 0.809 139 E CB 1.422 31.107 29.700 -0.025 0.000 1.242 139 E HN 0.832 nan 8.360 nan 0.000 0.418 140 W N 0.956 122.282 121.300 0.043 0.000 2.342 140 W HA -0.164 4.496 4.660 -0.001 0.000 0.297 140 W C 2.093 178.662 176.519 0.082 0.000 1.213 140 W CA 1.425 58.802 57.345 0.053 0.000 1.251 140 W CB -0.117 29.351 29.460 0.013 0.000 1.136 140 W HN 0.666 nan 8.180 nan 0.000 0.526 141 A N -0.061 122.912 122.820 0.255 0.000 2.070 141 A HA -0.192 4.128 4.320 -0.001 0.000 0.220 141 A C 1.477 179.136 177.584 0.124 0.000 1.159 141 A CA 1.904 54.040 52.037 0.166 0.000 0.656 141 A CB -0.568 18.495 19.000 0.105 0.000 0.800 141 A HN 0.216 nan 8.150 nan 0.000 0.453 142 D N -1.844 118.618 120.400 0.102 0.000 2.348 142 D HA 0.084 4.724 4.640 -0.001 0.000 0.211 142 D C 0.092 176.422 176.300 0.050 0.000 0.998 142 D CA 0.076 54.102 54.000 0.044 0.000 0.873 142 D CB -0.027 40.771 40.800 -0.004 0.000 0.925 142 D HN 0.437 nan 8.370 nan 0.000 0.524 143 F N 2.874 122.823 119.950 -0.002 0.000 2.399 143 F HA 0.220 4.747 4.527 -0.000 0.000 0.342 143 F C -1.880 173.919 175.800 -0.001 0.000 1.106 143 F CA -2.378 55.610 58.000 -0.020 0.000 1.196 143 F CB 0.735 39.786 39.000 0.085 0.000 1.163 143 F HN -0.252 nan 8.300 nan 0.000 0.547 144 P HA -0.073 nan 4.420 nan 0.000 0.264 144 P C 0.315 177.633 177.300 0.030 0.000 1.183 144 P CA 0.307 63.269 63.100 -0.230 0.000 0.763 144 P CB 0.675 32.144 31.700 -0.384 0.000 0.807 145 E N 2.960 123.189 120.200 0.048 0.000 2.110 145 E HA -0.240 4.110 4.350 -0.001 0.000 0.193 145 E C 1.640 178.292 176.600 0.086 0.000 0.988 145 E CA 1.315 57.767 56.400 0.088 0.000 0.804 145 E CB -0.019 29.712 29.700 0.050 0.000 0.745 145 E HN 0.545 nan 8.360 nan 0.000 0.458 146 Q N 0.118 119.951 119.800 0.055 0.000 2.077 146 Q HA -0.175 4.164 4.340 -0.001 0.000 0.206 146 Q C 0.573 176.632 176.000 0.097 0.000 0.989 146 Q CA 1.888 57.724 55.803 0.056 0.000 0.853 146 Q CB 0.073 28.833 28.738 0.037 0.000 0.907 146 Q HN 0.162 nan 8.270 nan 0.000 0.418 147 D N -0.987 119.515 120.400 0.169 0.000 2.440 147 D HA 0.060 4.700 4.640 -0.001 0.000 0.216 147 D C 1.215 177.758 176.300 0.406 0.000 1.150 147 D CA -0.147 54.024 54.000 0.286 0.000 0.832 147 D CB 0.181 41.227 40.800 0.410 0.000 0.992 147 D HN 0.255 nan 8.370 nan 0.000 0.502 148 R N 1.274 121.977 120.500 0.338 0.000 2.080 148 R HA -0.148 4.192 4.340 -0.001 0.000 0.236 148 R C 1.194 177.475 176.300 -0.030 0.000 1.137 148 R CA 1.538 57.789 56.100 0.252 0.000 0.943 148 R CB 0.129 30.573 30.300 0.240 0.000 0.846 148 R HN -0.008 nan 8.270 nan 0.000 0.431 149 D N 0.504 120.869 120.400 -0.060 0.000 2.144 149 D HA -0.170 4.470 4.640 -0.001 0.000 0.199 149 D C 1.906 178.089 176.300 -0.196 0.000 0.984 149 D CA 0.917 54.821 54.000 -0.160 0.000 0.834 149 D CB -0.096 40.635 40.800 -0.116 0.000 0.955 149 D HN 0.191 nan 8.370 nan 0.000 0.465 150 L N 0.075 121.201 121.223 -0.162 0.000 2.046 150 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 150 L C 2.023 178.477 176.870 -0.695 0.000 1.077 150 L CA 1.446 56.039 54.840 -0.410 0.000 0.747 150 L CB -0.730 41.105 42.059 -0.373 0.000 0.896 150 L HN -0.139 nan 8.230 nan 0.000 0.432 151 F N -0.140 119.554 119.950 -0.426 0.000 2.234 151 F HA -0.176 4.350 4.527 -0.001 0.000 0.299 151 F C 2.575 178.322 175.800 -0.089 0.000 1.087 151 F CA 1.428 59.325 58.000 -0.172 0.000 1.340 151 F CB -0.570 38.375 39.000 -0.091 0.000 1.031 151 F HN 0.207 nan 8.300 nan 0.000 0.500 152 Q N -0.267 119.423 119.800 -0.183 0.000 2.124 152 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 152 Q C 2.511 178.428 176.000 -0.138 0.000 0.977 152 Q CA 1.482 57.099 55.803 -0.309 0.000 0.850 152 Q CB -0.462 27.902 28.738 -0.624 0.000 0.901 152 Q HN 0.435 nan 8.270 nan 0.000 0.429 153 A N 0.417 123.119 122.820 -0.196 0.000 1.930 153 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 153 A C 1.681 179.266 177.584 0.002 0.000 1.175 153 A CA 1.016 52.971 52.037 -0.136 0.000 0.627 153 A CB -0.630 18.247 19.000 -0.205 0.000 0.815 153 A HN 0.281 nan 8.150 nan 0.000 0.443 154 F N 0.070 120.005 119.950 -0.026 0.000 2.161 154 F HA -0.109 4.418 4.527 -0.001 0.000 0.300 154 F C 1.962 177.797 175.800 0.057 0.000 1.089 154 F CA 1.178 59.179 58.000 0.002 0.000 1.282 154 F CB -0.530 38.456 39.000 -0.024 0.000 1.010 154 F HN 0.140 nan 8.300 nan 0.000 0.485 155 R N 0.178 120.841 120.500 0.272 0.000 3.081 155 R HA 0.210 4.550 4.340 -0.001 0.000 0.280 155 R C 0.122 176.505 176.300 0.137 0.000 1.372 155 R CA 0.122 56.357 56.100 0.225 0.000 1.242 155 R CB -0.162 30.318 30.300 0.299 0.000 1.316 155 R HN 0.237 nan 8.270 nan 0.000 0.585 156 S N -1.521 114.243 115.700 0.107 0.000 2.720 156 S HA 0.073 4.543 4.470 -0.001 0.000 0.287 156 S C 0.706 175.343 174.600 0.062 0.000 1.168 156 S CA -0.969 57.268 58.200 0.062 0.000 0.832 156 S CB 1.476 64.689 63.200 0.021 0.000 1.166 156 S HN 0.147 nan 8.310 nan 0.000 0.493 157 Q N 0.737 120.562 119.800 0.042 0.000 2.364 157 Q HA 0.177 4.517 4.340 -0.001 0.000 0.209 157 Q C 1.714 177.738 176.000 0.040 0.000 0.977 157 Q CA 1.864 57.689 55.803 0.038 0.000 0.885 157 Q CB -0.888 27.865 28.738 0.025 0.000 0.941 157 Q HN 0.900 nan 8.270 nan 0.000 0.464 158 A N 0.953 123.796 122.820 0.039 0.000 2.121 158 A HA 0.113 4.432 4.320 -0.001 0.000 0.218 158 A C 2.243 179.873 177.584 0.077 0.000 1.154 158 A CA 0.978 53.039 52.037 0.040 0.000 0.679 158 A CB -1.126 17.885 19.000 0.017 0.000 0.795 158 A HN 0.559 nan 8.150 nan 0.000 0.458 159 G N -0.229 108.636 108.800 0.108 0.000 2.422 159 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.218 159 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.218 159 G C 1.346 176.306 174.900 0.100 0.000 1.146 159 G CA 1.148 46.348 45.100 0.167 0.000 0.769 159 G HN 0.540 nan 8.290 nan 0.000 0.547 160 E N 0.119 120.355 120.200 0.060 0.000 2.077 160 E HA -0.068 4.281 4.350 -0.001 0.000 0.193 160 E C 2.270 178.892 176.600 0.036 0.000 0.989 160 E CA 1.229 57.650 56.400 0.035 0.000 0.800 160 E CB -0.172 29.545 29.700 0.027 0.000 0.746 160 E HN 0.667 nan 8.360 nan 0.000 0.452 161 E N 0.188 120.414 120.200 0.043 0.000 2.047 161 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 161 E C 1.993 178.624 176.600 0.052 0.000 0.987 161 E CA 0.809 57.233 56.400 0.039 0.000 0.799 161 E CB -0.087 29.632 29.700 0.033 0.000 0.752 161 E HN 0.190 nan 8.360 nan 0.000 0.449 162 L N 0.109 121.381 121.223 0.083 0.000 2.012 162 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 162 L C 2.396 179.328 176.870 0.104 0.000 1.073 162 L CA 1.134 56.048 54.840 0.123 0.000 0.748 162 L CB -0.259 41.941 42.059 0.235 0.000 0.891 162 L HN 0.142 nan 8.230 nan 0.000 0.431 163 V N -1.049 118.903 119.914 0.062 0.000 2.490 163 V HA -0.088 4.032 4.120 -0.001 0.000 0.238 163 V C 2.122 178.200 176.094 -0.027 0.000 1.056 163 V CA 0.722 63.009 62.300 -0.020 0.000 1.075 163 V CB -0.114 31.628 31.823 -0.135 0.000 0.746 163 V HN 0.243 nan 8.190 nan 0.000 0.479 164 L N -0.010 121.203 121.223 -0.016 0.000 2.056 164 L HA -0.182 4.158 4.340 -0.001 0.000 0.207 164 L C 2.568 179.445 176.870 0.012 0.000 1.078 164 L CA 1.925 56.760 54.840 -0.008 0.000 0.749 164 L CB -0.505 41.553 42.059 -0.000 0.000 0.901 164 L HN 0.430 nan 8.230 nan 0.000 0.433 165 Q N -0.264 119.547 119.800 0.019 0.000 2.089 165 Q HA -0.138 4.202 4.340 -0.001 0.000 0.195 165 Q C 1.029 177.046 176.000 0.027 0.000 0.963 165 Q CA 1.255 57.072 55.803 0.024 0.000 0.834 165 Q CB 0.419 29.171 28.738 0.024 0.000 0.906 165 Q HN 0.388 nan 8.270 nan 0.000 0.452 166 D N -0.264 120.155 120.400 0.031 0.000 2.407 166 D HA 0.039 4.679 4.640 -0.001 0.000 0.208 166 D C -0.200 176.122 176.300 0.037 0.000 1.083 166 D CA 0.067 54.089 54.000 0.035 0.000 0.844 166 D CB 0.288 41.111 40.800 0.038 0.000 0.967 166 D HN 0.186 nan 8.370 nan 0.000 0.506 167 N N 0.158 118.874 118.700 0.028 0.000 2.754 167 N HA -0.170 4.570 4.740 -0.001 0.000 0.248 167 N C 0.885 176.417 175.510 0.036 0.000 1.093 167 N CA 0.196 53.256 53.050 0.017 0.000 0.699 167 N CB -1.372 37.138 38.487 0.037 0.000 1.016 167 N HN 0.001 nan 8.380 nan 0.000 0.552 168 V N -0.653 119.299 119.914 0.062 0.000 2.490 168 V HA -0.214 3.905 4.120 -0.001 0.000 0.250 168 V C 1.971 178.117 176.094 0.088 0.000 1.061 168 V CA 1.985 64.341 62.300 0.094 0.000 1.064 168 V CB -0.564 31.360 31.823 0.169 0.000 0.670 168 V HN 0.444 nan 8.190 nan 0.000 0.461 169 F N 0.135 120.049 119.950 -0.060 0.000 2.113 169 F HA -0.152 4.374 4.527 -0.002 0.000 0.297 169 F C 2.232 178.003 175.800 -0.048 0.000 1.103 169 F CA 1.735 59.691 58.000 -0.073 0.000 1.248 169 F CB -0.251 38.599 39.000 -0.250 0.000 0.999 169 F HN -0.056 nan 8.300 nan 0.000 0.475 170 V N -0.305 119.688 119.914 0.132 0.000 2.307 170 V HA -0.214 3.906 4.120 -0.001 0.000 0.245 170 V C 2.112 178.228 176.094 0.037 0.000 1.045 170 V CA 1.986 64.327 62.300 0.067 0.000 1.024 170 V CB -0.460 31.403 31.823 0.067 0.000 0.651 170 V HN 0.256 nan 8.190 nan 0.000 0.449 171 E N -0.827 119.399 120.200 0.043 0.000 2.340 171 E HA -0.068 4.282 4.350 -0.001 0.000 0.194 171 E C 1.952 178.565 176.600 0.022 0.000 0.996 171 E CA 0.484 56.904 56.400 0.034 0.000 0.869 171 E CB 0.455 30.179 29.700 0.041 0.000 0.835 171 E HN 0.693 nan 8.360 nan 0.000 0.493 172 Q N 0.198 120.010 119.800 0.020 0.000 2.581 172 Q HA 0.026 4.366 4.340 -0.001 0.000 0.222 172 Q C 2.116 178.122 176.000 0.011 0.000 0.904 172 Q CA 0.324 56.136 55.803 0.015 0.000 0.923 172 Q CB 0.573 29.321 28.738 0.017 0.000 1.117 172 Q HN -0.006 nan 8.270 nan 0.000 0.618 173 V N 1.993 121.893 119.914 -0.022 0.000 2.307 173 V HA -0.230 3.890 4.120 -0.001 0.000 0.245 173 V C 2.392 178.554 176.094 0.112 0.000 1.045 173 V CA 1.626 63.919 62.300 -0.012 0.000 1.024 173 V CB -0.678 30.935 31.823 -0.351 0.000 0.651 173 V HN 0.391 nan 8.190 nan 0.000 0.449 174 L N 1.384 122.609 121.223 0.004 0.000 1.970 174 L HA -0.071 4.269 4.340 -0.001 0.000 0.212 174 L C -0.153 176.612 176.870 -0.174 0.000 1.071 174 L CA 2.584 57.243 54.840 -0.301 0.000 0.751 174 L CB -1.881 39.871 42.059 -0.511 0.000 0.889 174 L HN 0.249 nan 8.230 nan 0.000 0.432 175 P HA -0.073 nan 4.420 nan 0.000 0.218 175 P C 1.517 178.844 177.300 0.045 0.000 1.149 175 P CA 1.739 64.829 63.100 -0.018 0.000 0.817 175 P CB -0.425 31.275 31.700 -0.000 0.000 0.785 176 G N -0.831 108.009 108.800 0.067 0.000 2.509 176 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.218 176 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.218 176 G C 0.987 175.965 174.900 0.131 0.000 1.124 176 G CA 0.311 45.464 45.100 0.087 0.000 0.776 176 G HN 0.272 nan 8.290 nan 0.000 0.547 177 L N 0.456 121.812 121.223 0.221 0.000 3.110 177 L HA 0.496 4.836 4.340 -0.001 0.000 0.266 177 L C -0.407 176.654 176.870 0.319 0.000 1.257 177 L CA -0.149 54.868 54.840 0.295 0.000 1.038 177 L CB 0.478 42.788 42.059 0.418 0.000 1.395 177 L HN 0.037 nan 8.230 nan 0.000 0.566 178 I N -0.286 120.401 120.570 0.196 0.000 2.466 178 I HA 0.166 4.335 4.170 -0.001 0.000 0.289 178 I C 0.811 176.975 176.117 0.080 0.000 1.026 178 I CA -0.486 60.894 61.300 0.133 0.000 1.078 178 I CB 2.491 40.544 38.000 0.089 0.000 1.249 178 I HN 0.078 nan 8.210 nan 0.000 0.429 179 L N 4.422 125.680 121.223 0.058 0.000 2.240 179 L HA 0.029 4.369 4.340 -0.001 0.000 0.211 179 L C 0.998 177.887 176.870 0.031 0.000 1.106 179 L CA 0.685 55.548 54.840 0.039 0.000 0.793 179 L CB -0.500 41.574 42.059 0.024 0.000 0.927 179 L HN 0.628 nan 8.230 nan 0.000 0.446 180 R N 0.755 121.274 120.500 0.032 0.000 2.536 180 R HA 0.448 4.788 4.340 -0.001 0.000 0.279 180 R C -2.625 173.696 176.300 0.034 0.000 1.001 180 R CA -1.966 54.151 56.100 0.028 0.000 1.027 180 R CB -0.797 29.517 30.300 0.024 0.000 1.096 180 R HN -0.222 nan 8.270 nan 0.000 0.502 181 P HA 0.085 nan 4.420 nan 0.000 0.271 181 P C -0.678 176.648 177.300 0.043 0.000 1.220 181 P CA -0.165 62.955 63.100 0.035 0.000 0.768 181 P CB 0.710 32.428 31.700 0.029 0.000 0.848 182 L N 2.170 123.424 121.223 0.053 0.000 2.395 182 L HA 0.193 4.533 4.340 -0.001 0.000 0.269 182 L C 1.530 178.437 176.870 0.063 0.000 1.133 182 L CA -0.396 54.487 54.840 0.073 0.000 0.812 182 L CB 0.614 42.733 42.059 0.100 0.000 1.125 182 L HN 0.500 nan 8.230 nan 0.000 0.452 183 S N 0.476 116.216 115.700 0.067 0.000 2.624 183 S HA 0.053 4.523 4.470 -0.001 0.000 0.263 183 S C 0.923 175.554 174.600 0.052 0.000 1.287 183 S CA -0.377 57.855 58.200 0.053 0.000 0.990 183 S CB 1.241 64.470 63.200 0.049 0.000 0.950 183 S HN 0.784 nan 8.310 nan 0.000 0.561 184 E N 0.939 121.160 120.200 0.036 0.000 2.085 184 E HA -0.208 4.142 4.350 -0.001 0.000 0.194 184 E C 2.041 178.653 176.600 0.020 0.000 0.994 184 E CA 1.383 57.799 56.400 0.027 0.000 0.801 184 E CB -0.643 29.067 29.700 0.018 0.000 0.743 184 E HN 0.815 nan 8.360 nan 0.000 0.453 185 A N 0.847 123.679 122.820 0.021 0.000 1.930 185 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 185 A C 1.923 179.503 177.584 -0.007 0.000 1.175 185 A CA 1.521 53.561 52.037 0.005 0.000 0.627 185 A CB -0.439 18.574 19.000 0.023 0.000 0.815 185 A HN 0.359 nan 8.150 nan 0.000 0.443 186 E N -0.797 119.438 120.200 0.059 0.000 2.051 186 E HA -0.165 4.184 4.350 -0.001 0.000 0.192 186 E C 2.020 178.651 176.600 0.052 0.000 0.991 186 E CA 1.309 57.772 56.400 0.106 0.000 0.799 186 E CB -0.225 29.593 29.700 0.196 0.000 0.748 186 E HN 0.418 nan 8.360 nan 0.000 0.449 187 M N 0.250 119.909 119.600 0.098 0.000 2.229 187 M HA -0.066 4.414 4.480 -0.001 0.000 0.264 187 M C 2.381 178.704 176.300 0.039 0.000 1.063 187 M CA 1.068 56.441 55.300 0.122 0.000 1.114 187 M CB -0.927 31.726 32.600 0.090 0.000 1.387 187 M HN 0.121 nan 8.290 nan 0.000 0.420 188 A N 0.124 122.927 122.820 -0.028 0.000 1.902 188 A HA -0.026 4.293 4.320 -0.001 0.000 0.217 188 A C 2.410 179.896 177.584 -0.163 0.000 1.181 188 A CA 2.068 54.064 52.037 -0.067 0.000 0.623 188 A CB -0.854 18.108 19.000 -0.064 0.000 0.818 188 A HN 0.472 nan 8.150 nan 0.000 0.443 189 A N -1.545 121.069 122.820 -0.343 0.000 1.933 189 A HA -0.050 4.270 4.320 -0.001 0.000 0.218 189 A C 2.063 179.332 177.584 -0.527 0.000 1.175 189 A CA 1.561 53.201 52.037 -0.661 0.000 0.628 189 A CB -0.709 17.367 19.000 -1.540 0.000 0.814 189 A HN 0.562 nan 8.150 nan 0.000 0.444 190 Y N -0.678 119.477 120.300 -0.241 0.000 2.314 190 Y HA -0.015 4.535 4.550 0.000 0.000 0.293 190 Y C 2.474 178.392 175.900 0.030 0.000 1.129 190 Y CA 1.279 59.336 58.100 -0.073 0.000 1.201 190 Y CB -0.311 38.142 38.460 -0.011 0.000 0.999 190 Y HN 0.306 nan 8.280 nan 0.000 0.541 191 R N 0.643 121.233 120.500 0.151 0.000 2.148 191 R HA -0.144 4.196 4.340 -0.001 0.000 0.223 191 R C 2.111 178.446 176.300 0.058 0.000 1.088 191 R CA 1.129 57.318 56.100 0.148 0.000 0.985 191 R CB -0.113 30.240 30.300 0.089 0.000 0.880 191 R HN 0.410 nan 8.270 nan 0.000 0.451 192 E N 0.487 120.653 120.200 -0.056 0.000 2.097 192 E HA -0.145 4.205 4.350 -0.001 0.000 0.196 192 E C -0.957 175.529 176.600 -0.191 0.000 1.000 192 E CA 1.308 57.640 56.400 -0.112 0.000 0.804 192 E CB -0.359 29.253 29.700 -0.146 0.000 0.740 192 E HN 0.341 nan 8.360 nan 0.000 0.454 193 P HA -0.062 nan 4.420 nan 0.000 0.230 193 P C -0.206 176.645 177.300 -0.748 0.000 1.158 193 P CA 0.938 63.632 63.100 -0.677 0.000 0.769 193 P CB 0.097 31.143 31.700 -1.089 0.000 0.807 194 F N -2.503 117.447 119.950 0.000 0.000 2.791 194 F HA 0.294 4.820 4.527 -0.001 0.000 0.316 194 F C 1.458 177.260 175.800 0.002 0.000 1.134 194 F CA -0.455 57.544 58.000 -0.001 0.000 1.222 194 F CB -0.867 38.137 39.000 0.006 0.000 1.034 194 F HN -0.244 nan 8.300 nan 0.000 0.516 195 L N 0.356 121.634 121.223 0.090 0.000 2.141 195 L HA 0.032 4.371 4.340 -0.001 0.000 0.209 195 L C 1.512 178.419 176.870 0.061 0.000 1.094 195 L CA 0.633 55.511 54.840 0.062 0.000 0.763 195 L CB -0.327 41.743 42.059 0.017 0.000 0.908 195 L HN 0.174 nan 8.230 nan 0.000 0.437 196 A N 0.245 123.102 122.820 0.061 0.000 2.328 196 A HA 0.636 4.956 4.320 -0.001 0.000 0.284 196 A C 0.312 177.935 177.584 0.064 0.000 1.160 196 A CA -0.340 51.727 52.037 0.050 0.000 0.818 196 A CB 0.390 19.412 19.000 0.037 0.000 1.087 196 A HN 0.187 nan 8.150 nan 0.000 0.504 197 A N 2.014 124.863 122.820 0.048 0.000 2.406 197 A HA 0.632 4.952 4.320 -0.001 0.000 0.243 197 A C 1.289 178.897 177.584 0.039 0.000 1.082 197 A CA 0.913 52.975 52.037 0.043 0.000 0.786 197 A CB -0.399 18.620 19.000 0.032 0.000 1.029 197 A HN 2.900 nan 8.150 nan 0.000 0.495 198 G N 0.110 108.930 108.800 0.033 0.000 2.475 198 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.223 198 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.223 198 G C 0.494 175.415 174.900 0.034 0.000 1.201 198 G CA 0.248 45.365 45.100 0.029 0.000 0.962 198 G HN 0.682 nan 8.290 nan 0.000 0.586 199 E N 0.561 120.785 120.200 0.040 0.000 2.265 199 E HA -0.033 4.317 4.350 -0.001 0.000 0.196 199 E C 2.850 179.492 176.600 0.070 0.000 0.996 199 E CA 1.601 58.033 56.400 0.054 0.000 0.832 199 E CB -0.566 29.171 29.700 0.062 0.000 0.756 199 E HN 0.951 nan 8.360 nan 0.000 0.491 200 A N 1.283 124.149 122.820 0.078 0.000 1.986 200 A HA -0.210 4.109 4.320 -0.001 0.000 0.220 200 A C 2.051 179.750 177.584 0.191 0.000 1.171 200 A CA 1.414 53.519 52.037 0.114 0.000 0.640 200 A CB -0.379 18.685 19.000 0.107 0.000 0.811 200 A HN 0.128 nan 8.150 nan 0.000 0.451 201 R N -1.658 118.909 120.500 0.111 0.000 2.317 201 R HA 0.093 4.433 4.340 -0.001 0.000 0.208 201 R C 1.985 178.179 176.300 -0.177 0.000 0.914 201 R CA 0.402 56.489 56.100 -0.020 0.000 1.060 201 R CB -0.055 30.208 30.300 -0.061 0.000 1.015 201 R HN 0.419 nan 8.270 nan 0.000 0.498 202 R N 1.907 122.329 120.500 -0.130 0.000 2.103 202 R HA -0.094 4.245 4.340 -0.001 0.000 0.242 202 R C -0.997 175.092 176.300 -0.352 0.000 1.142 202 R CA 1.656 57.657 56.100 -0.164 0.000 0.960 202 R CB -1.177 29.128 30.300 0.008 0.000 0.858 202 R HN 0.111 nan 8.270 nan 0.000 0.439 203 P HA -0.116 nan 4.420 nan 0.000 0.218 203 P C 0.842 177.899 177.300 -0.406 0.000 1.148 203 P CA 2.097 64.800 63.100 -0.662 0.000 0.822 203 P CB -0.299 31.053 31.700 -0.580 0.000 0.784 204 T N -4.128 110.170 114.554 -0.426 0.000 3.085 204 T HA 0.003 4.353 4.350 -0.001 0.000 0.263 204 T C 1.512 175.934 174.700 -0.464 0.000 1.127 204 T CA 0.349 62.152 62.100 -0.495 0.000 1.103 204 T CB -0.677 67.791 68.868 -0.667 0.000 0.921 204 T HN -0.059 nan 8.240 nan 0.000 0.510 205 L N 0.900 121.924 121.223 -0.332 0.000 2.286 205 L HA 0.417 4.757 4.340 -0.001 0.000 0.203 205 L C 2.518 179.302 176.870 -0.144 0.000 1.068 205 L CA 1.090 55.779 54.840 -0.252 0.000 0.811 205 L CB -0.690 41.269 42.059 -0.168 0.000 0.989 205 L HN 0.144 nan 8.230 nan 0.000 0.467 206 S N -0.706 114.893 115.700 -0.168 0.000 2.383 206 S HA -0.223 4.247 4.470 -0.001 0.000 0.229 206 S C 1.632 176.160 174.600 -0.120 0.000 1.030 206 S CA 1.833 59.944 58.200 -0.148 0.000 1.002 206 S CB -0.625 62.452 63.200 -0.206 0.000 0.829 206 S HN 0.581 nan 8.310 nan 0.000 0.467 207 W N 2.131 123.291 121.300 -0.233 0.000 2.332 207 W HA -0.119 4.541 4.660 -0.000 0.000 0.321 207 W C -0.608 175.952 176.519 0.068 0.000 1.219 207 W CA 0.679 57.817 57.345 -0.344 0.000 1.277 207 W CB -1.337 27.852 29.460 -0.452 0.000 1.161 207 W HN 0.258 nan 8.180 nan 0.000 0.476 208 P HA -0.153 nan 4.420 nan 0.000 0.219 208 P C 0.771 178.367 177.300 0.494 0.000 1.146 208 P CA 1.672 65.134 63.100 0.602 0.000 0.808 208 P CB -0.251 31.768 31.700 0.531 0.000 0.779 209 R N -0.523 120.167 120.500 0.317 0.000 2.280 209 R HA -0.011 4.329 4.340 -0.001 0.000 0.207 209 R C 2.142 178.598 176.300 0.260 0.000 1.043 209 R CA 0.710 56.962 56.100 0.254 0.000 1.006 209 R CB -0.219 30.171 30.300 0.150 0.000 0.885 209 R HN 0.277 nan 8.270 nan 0.000 0.467 210 Q N 0.156 120.154 119.800 0.331 0.000 2.384 210 Q HA 0.154 4.493 4.340 -0.001 0.000 0.207 210 Q C 0.386 176.760 176.000 0.622 0.000 0.904 210 Q CA 0.162 56.179 55.803 0.357 0.000 0.933 210 Q CB 0.557 29.387 28.738 0.154 0.000 1.077 210 Q HN 0.327 nan 8.270 nan 0.000 0.522 211 I N 4.492 125.484 120.570 0.704 0.000 2.683 211 I HA -0.032 4.138 4.170 -0.001 0.000 0.286 211 I C -1.868 174.382 176.117 0.221 0.000 1.175 211 I CA -1.259 60.349 61.300 0.515 0.000 1.429 211 I CB 0.367 38.573 38.000 0.343 0.000 1.371 211 I HN -0.154 nan 8.210 nan 0.000 0.569 212 P HA 0.272 nan 4.420 nan 0.000 0.260 212 P C -0.701 176.542 177.300 -0.094 0.000 1.651 212 P CA 0.335 63.444 63.100 0.014 0.000 1.139 212 P CB -0.200 31.491 31.700 -0.016 0.000 1.756 213 I N 1.241 121.717 120.570 -0.157 0.000 2.498 213 I HA 0.475 4.645 4.170 -0.001 0.000 0.290 213 I C 0.613 176.553 176.117 -0.296 0.000 1.032 213 I CA -1.239 59.837 61.300 -0.372 0.000 1.073 213 I CB 2.043 39.542 38.000 -0.835 0.000 1.251 213 I HN 0.184 nan 8.210 nan 0.000 0.426 214 A N 4.439 127.106 122.820 -0.256 0.000 2.783 214 A HA -0.083 4.237 4.320 -0.001 0.000 0.292 214 A C 1.433 179.001 177.584 -0.026 0.000 1.495 214 A CA 1.168 53.147 52.037 -0.097 0.000 0.787 214 A CB -1.907 17.095 19.000 0.003 0.000 1.017 214 A HN 2.034 nan 8.150 nan 0.000 0.516 215 G N -3.086 105.687 108.800 -0.045 0.000 2.176 215 G HA2 0.135 4.095 3.960 -0.001 0.000 0.253 215 G HA3 0.135 4.095 3.960 -0.001 0.000 0.253 215 G C 0.911 175.814 174.900 0.005 0.000 0.979 215 G CA 1.416 46.506 45.100 -0.017 0.000 0.641 215 G HN 2.941 nan 8.290 nan 0.000 0.530 216 T N -1.436 113.129 114.554 0.018 0.000 2.909 216 T HA 0.738 5.088 4.350 -0.001 0.000 0.299 216 T C -3.196 171.546 174.700 0.070 0.000 1.073 216 T CA -1.557 60.573 62.100 0.049 0.000 0.999 216 T CB 3.602 72.513 68.868 0.072 0.000 1.098 216 T HN 0.120 nan 8.240 nan 0.000 0.477 217 P HA 0.293 nan 4.420 nan 0.000 0.271 217 P C 0.811 178.143 177.300 0.053 0.000 1.216 217 P CA -0.368 62.779 63.100 0.080 0.000 0.771 217 P CB 0.814 32.574 31.700 0.100 0.000 0.864 218 A N 3.962 126.806 122.820 0.040 0.000 1.972 218 A HA -0.203 4.116 4.320 -0.001 0.000 0.219 218 A C 1.817 179.411 177.584 0.016 0.000 1.169 218 A CA 1.903 53.953 52.037 0.021 0.000 0.635 218 A CB -1.140 17.871 19.000 0.018 0.000 0.810 218 A HN 0.652 nan 8.150 nan 0.000 0.446 219 D N 0.266 120.686 120.400 0.033 0.000 2.097 219 D HA -0.132 4.508 4.640 -0.001 0.000 0.195 219 D C 1.780 178.089 176.300 0.015 0.000 0.989 219 D CA 1.863 55.885 54.000 0.036 0.000 0.827 219 D CB -0.960 39.878 40.800 0.064 0.000 0.966 219 D HN 0.261 nan 8.370 nan 0.000 0.456 220 V N 0.885 120.811 119.914 0.021 0.000 2.453 220 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 220 V C 3.002 179.058 176.094 -0.064 0.000 1.048 220 V CA 1.007 63.284 62.300 -0.038 0.000 1.049 220 V CB -0.363 31.498 31.823 0.063 0.000 0.672 220 V HN 0.089 nan 8.190 nan 0.000 0.457 221 V N 0.699 120.592 119.914 -0.034 0.000 2.282 221 V HA -0.323 3.797 4.120 -0.001 0.000 0.249 221 V C 2.753 178.784 176.094 -0.104 0.000 1.057 221 V CA 2.323 64.581 62.300 -0.069 0.000 1.032 221 V CB -1.155 30.641 31.823 -0.046 0.000 0.645 221 V HN 0.574 nan 8.190 nan 0.000 0.447 222 A N -0.385 122.392 122.820 -0.072 0.000 1.898 222 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 222 A C 2.173 179.695 177.584 -0.102 0.000 1.181 222 A CA 1.870 53.864 52.037 -0.072 0.000 0.620 222 A CB -0.531 18.448 19.000 -0.035 0.000 0.819 222 A HN 0.509 nan 8.150 nan 0.000 0.442 223 I N -0.192 120.316 120.570 -0.103 0.000 2.163 223 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 223 I C 2.957 178.864 176.117 -0.350 0.000 1.085 223 I CA 1.220 62.456 61.300 -0.106 0.000 1.347 223 I CB -0.278 37.685 38.000 -0.061 0.000 1.044 223 I HN 0.354 nan 8.210 nan 0.000 0.408 224 A N 0.469 122.969 122.820 -0.532 0.000 1.930 224 A HA -0.228 4.091 4.320 -0.001 0.000 0.217 224 A C 2.390 179.572 177.584 -0.671 0.000 1.175 224 A CA 1.664 53.064 52.037 -1.063 0.000 0.627 224 A CB -0.610 18.069 19.000 -0.535 0.000 0.815 224 A HN 0.353 nan 8.150 nan 0.000 0.443 225 R N -0.231 120.068 120.500 -0.335 0.000 2.091 225 R HA -0.175 4.165 4.340 -0.001 0.000 0.238 225 R C 1.453 177.672 176.300 -0.136 0.000 1.136 225 R CA 1.932 57.913 56.100 -0.199 0.000 0.959 225 R CB -0.311 29.908 30.300 -0.135 0.000 0.856 225 R HN 0.435 nan 8.270 nan 0.000 0.437 226 D N -0.413 119.910 120.400 -0.129 0.000 2.084 226 D HA -0.189 4.451 4.640 -0.001 0.000 0.194 226 D C 1.793 178.150 176.300 0.095 0.000 0.990 226 D CA 1.668 55.657 54.000 -0.018 0.000 0.826 226 D CB -0.504 40.293 40.800 -0.005 0.000 0.971 226 D HN 0.472 nan 8.370 nan 0.000 0.453 227 Y N 0.189 120.560 120.300 0.118 0.000 2.373 227 Y HA 0.263 4.813 4.550 0.000 0.000 0.293 227 Y C 2.090 178.037 175.900 0.077 0.000 1.129 227 Y CA 0.440 58.648 58.100 0.180 0.000 1.226 227 Y CB -1.029 37.572 38.460 0.236 0.000 1.000 227 Y HN -0.075 nan 8.280 nan 0.000 0.549 228 A N 1.647 124.587 122.820 0.200 0.000 1.877 228 A HA -0.019 4.301 4.320 -0.001 0.000 0.216 228 A C 2.566 180.281 177.584 0.218 0.000 1.186 228 A CA 1.882 54.094 52.037 0.292 0.000 0.620 228 A CB -1.592 17.521 19.000 0.189 0.000 0.822 228 A HN 0.580 nan 8.150 nan 0.000 0.443 229 G N -1.585 107.295 108.800 0.133 0.000 2.421 229 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.216 229 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.216 229 G C 1.409 176.336 174.900 0.046 0.000 1.171 229 G CA 1.172 46.332 45.100 0.100 0.000 0.775 229 G HN 0.705 nan 8.290 nan 0.000 0.543 230 W N 1.265 122.506 121.300 -0.097 0.000 2.355 230 W HA 0.027 4.686 4.660 -0.001 0.000 0.309 230 W C 2.270 178.611 176.519 -0.296 0.000 1.206 230 W CA 1.236 58.494 57.345 -0.145 0.000 1.284 230 W CB -0.480 28.924 29.460 -0.094 0.000 1.145 230 W HN 0.124 nan 8.180 nan 0.000 0.502 231 L N 1.131 121.884 121.223 -0.784 0.000 2.131 231 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 231 L C 2.815 178.842 176.870 -1.405 0.000 1.092 231 L CA 1.776 55.733 54.840 -1.471 0.000 0.759 231 L CB -1.109 39.748 42.059 -2.004 0.000 0.903 231 L HN 0.167 nan 8.230 nan 0.000 0.435 232 S N -1.389 113.729 115.700 -0.970 0.000 2.515 232 S HA -0.081 4.388 4.470 -0.001 0.000 0.231 232 S C 1.561 175.954 174.600 -0.345 0.000 0.987 232 S CA 0.712 58.563 58.200 -0.581 0.000 0.936 232 S CB -0.040 63.107 63.200 -0.089 0.000 0.766 232 S HN 0.418 nan 8.310 nan 0.000 0.528 233 E N 0.862 120.824 120.200 -0.398 0.000 2.465 233 E HA 0.239 4.588 4.350 -0.001 0.000 0.209 233 E C 0.332 176.730 176.600 -0.336 0.000 0.951 233 E CA 0.053 56.291 56.400 -0.270 0.000 0.997 233 E CB 0.508 30.111 29.700 -0.161 0.000 1.025 233 E HN 0.460 nan 8.360 nan 0.000 0.500 234 S N 3.084 118.426 115.700 -0.597 0.000 2.549 234 S HA 0.108 4.578 4.470 -0.001 0.000 0.279 234 S C -1.704 172.692 174.600 -0.340 0.000 1.321 234 S CA -1.103 56.751 58.200 -0.578 0.000 1.054 234 S CB 0.928 63.444 63.200 -1.139 0.000 0.899 234 S HN -0.106 nan 8.310 nan 0.000 0.497 235 P HA 0.180 nan 4.420 nan 0.000 0.253 235 P C 0.083 177.345 177.300 -0.065 0.000 1.260 235 P CA -0.023 63.017 63.100 -0.100 0.000 0.800 235 P CB -0.148 31.521 31.700 -0.052 0.000 1.162 236 I N 2.347 122.863 120.570 -0.089 0.000 2.683 236 I HA 0.020 4.189 4.170 -0.001 0.000 0.286 236 I C -1.862 174.275 176.117 0.034 0.000 1.175 236 I CA -1.823 59.470 61.300 -0.011 0.000 1.429 236 I CB -0.150 37.855 38.000 0.008 0.000 1.371 236 I HN -0.172 nan 8.210 nan 0.000 0.569 237 P HA 0.086 nan 4.420 nan 0.000 0.265 237 P C -1.205 176.320 177.300 0.375 0.000 1.193 237 P CA 0.137 63.368 63.100 0.219 0.000 0.765 237 P CB 0.417 32.241 31.700 0.206 0.000 0.823 238 K N 2.069 122.652 120.400 0.304 0.000 2.422 238 K HA 0.626 4.945 4.320 -0.001 0.000 0.251 238 K C -1.251 175.261 176.600 -0.147 0.000 0.933 238 K CA -0.996 55.413 56.287 0.205 0.000 0.798 238 K CB 1.971 34.639 32.500 0.280 0.000 1.238 238 K HN 0.203 nan 8.250 nan 0.000 0.428 239 L N 3.333 124.265 121.223 -0.484 0.000 2.342 239 L HA 0.445 4.784 4.340 -0.001 0.000 0.276 239 L C -1.558 175.079 176.870 -0.388 0.000 0.997 239 L CA -0.547 53.918 54.840 -0.627 0.000 0.838 239 L CB 0.820 42.172 42.059 -1.178 0.000 1.224 239 L HN 0.551 nan 8.230 nan 0.000 0.416 240 F N 6.901 126.520 119.950 -0.551 0.000 2.371 240 F HA 0.523 5.050 4.527 0.001 0.000 0.363 240 F C -0.409 175.082 175.800 -0.515 0.000 1.122 240 F CA -1.479 56.015 58.000 -0.845 0.000 1.129 240 F CB 0.460 39.084 39.000 -0.627 0.000 1.173 240 F HN 0.363 nan 8.300 nan 0.000 0.489 241 I N 6.261 126.532 120.570 -0.498 0.000 2.269 241 I HA 0.097 4.266 4.170 -0.001 0.000 0.293 241 I C 0.141 175.853 176.117 -0.674 0.000 1.106 241 I CA -0.477 60.523 61.300 -0.499 0.000 1.248 241 I CB 0.059 37.906 38.000 -0.254 0.000 1.444 241 I HN 0.530 nan 8.210 nan 0.000 0.497 242 N N 5.055 123.113 118.700 -1.070 0.000 2.503 242 N HA 0.503 5.243 4.740 -0.001 0.000 0.267 242 N C -0.654 174.625 175.510 -0.385 0.000 1.214 242 N CA -0.104 52.409 53.050 -0.894 0.000 0.959 242 N CB 1.078 39.005 38.487 -0.933 0.000 1.142 242 N HN 0.644 nan 8.380 nan 0.000 0.455 243 A N 1.533 124.223 122.820 -0.217 0.000 2.374 243 A HA 0.608 4.928 4.320 -0.001 0.000 0.317 243 A C -1.004 176.521 177.584 -0.099 0.000 1.094 243 A CA -0.528 51.427 52.037 -0.137 0.000 0.765 243 A CB 1.161 20.106 19.000 -0.091 0.000 1.268 243 A HN 0.681 nan 8.150 nan 0.000 0.438 244 E N 1.572 121.722 120.200 -0.083 0.000 2.216 244 E HA 0.467 4.817 4.350 -0.001 0.000 0.260 244 E C -2.070 174.505 176.600 -0.042 0.000 0.880 244 E CA -1.867 54.497 56.400 -0.060 0.000 0.765 244 E CB 2.058 31.720 29.700 -0.064 0.000 1.174 244 E HN 0.335 nan 8.360 nan 0.000 0.417 245 P HA 0.056 nan 4.420 nan 0.000 0.229 245 P C 0.480 177.761 177.300 -0.032 0.000 1.160 245 P CA 0.897 63.980 63.100 -0.029 0.000 0.777 245 P CB 0.274 31.962 31.700 -0.020 0.000 0.814 246 G N -0.152 108.629 108.800 -0.031 0.000 2.752 246 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.234 246 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.234 246 G C 0.368 175.251 174.900 -0.029 0.000 1.367 246 G CA 0.012 45.096 45.100 -0.026 0.000 0.879 246 G HN 0.540 nan 8.290 nan 0.000 0.563 247 A N -2.710 120.086 122.820 -0.040 0.000 1.713 247 A HA 0.650 4.969 4.320 -0.001 0.000 0.164 247 A C 1.907 179.377 177.584 -0.190 0.000 1.618 247 A CA 1.355 53.327 52.037 -0.109 0.000 1.267 247 A CB -0.550 18.393 19.000 -0.095 0.000 1.054 247 A HN 1.986 nan 8.150 nan 0.000 0.713 248 L N 1.003 122.125 121.223 -0.169 0.000 2.068 248 L HA 0.206 4.546 4.340 -0.001 0.000 0.204 248 L C 0.710 177.512 176.870 -0.114 0.000 1.076 248 L CA 2.410 57.107 54.840 -0.239 0.000 0.753 248 L CB -0.330 41.601 42.059 -0.214 0.000 0.910 248 L HN 0.299 nan 8.230 nan 0.000 0.439 249 T N 1.607 116.151 114.554 -0.017 0.000 3.766 249 T HA 0.360 4.709 4.350 -0.001 0.000 0.327 249 T C 0.101 174.829 174.700 0.047 0.000 1.595 249 T CA 0.305 62.428 62.100 0.038 0.000 1.204 249 T CB -0.904 68.051 68.868 0.145 0.000 1.245 249 T HN 0.575 nan 8.240 nan 0.000 0.875 250 T N -1.728 112.821 114.554 -0.008 0.000 2.804 250 T HA 0.820 5.169 4.350 -0.001 0.000 0.290 250 T C 0.788 175.478 174.700 -0.017 0.000 1.099 250 T CA -0.202 61.893 62.100 -0.008 0.000 1.011 250 T CB 1.573 70.419 68.868 -0.035 0.000 1.291 250 T HN 0.552 nan 8.240 nan 0.000 0.523 251 G N 1.129 109.922 108.800 -0.011 0.000 2.614 251 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.303 251 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.303 251 G C 0.873 175.770 174.900 -0.006 0.000 1.270 251 G CA 0.739 45.833 45.100 -0.010 0.000 0.988 251 G HN 0.961 nan 8.290 nan 0.000 0.551 252 R N -0.609 119.887 120.500 -0.008 0.000 2.096 252 R HA 0.006 4.346 4.340 -0.001 0.000 0.235 252 R C 2.852 179.160 176.300 0.012 0.000 1.127 252 R CA 1.733 57.832 56.100 -0.002 0.000 0.968 252 R CB -0.322 29.968 30.300 -0.016 0.000 0.861 252 R HN 0.579 nan 8.270 nan 0.000 0.440 253 M N 0.415 120.013 119.600 -0.003 0.000 2.117 253 M HA -0.212 4.268 4.480 -0.001 0.000 0.262 253 M C 2.399 178.676 176.300 -0.038 0.000 1.065 253 M CA 1.627 56.936 55.300 0.015 0.000 1.114 253 M CB -0.091 32.505 32.600 -0.008 0.000 1.361 253 M HN -0.019 nan 8.290 nan 0.000 0.408 254 R N 0.201 120.672 120.500 -0.050 0.000 2.081 254 R HA -0.171 4.169 4.340 -0.001 0.000 0.235 254 R C 1.519 177.754 176.300 -0.110 0.000 1.131 254 R CA 2.139 58.191 56.100 -0.081 0.000 0.960 254 R CB -0.249 30.077 30.300 0.043 0.000 0.856 254 R HN 0.394 nan 8.270 nan 0.000 0.436 255 D N -0.066 120.312 120.400 -0.036 0.000 2.123 255 D HA -0.208 4.432 4.640 -0.001 0.000 0.196 255 D C 1.539 177.820 176.300 -0.032 0.000 0.992 255 D CA 1.169 55.157 54.000 -0.020 0.000 0.833 255 D CB -0.303 40.506 40.800 0.016 0.000 0.954 255 D HN 0.222 nan 8.370 nan 0.000 0.455 256 F N 1.405 121.244 119.950 -0.185 0.000 2.113 256 F HA -0.162 4.365 4.527 -0.000 0.000 0.297 256 F C 2.268 177.775 175.800 -0.488 0.000 1.103 256 F CA 0.783 58.665 58.000 -0.197 0.000 1.248 256 F CB -0.622 38.309 39.000 -0.114 0.000 0.999 256 F HN -0.031 nan 8.300 nan 0.000 0.475 257 C N 1.108 119.822 119.300 -0.976 0.000 2.413 257 C HA -0.175 4.285 4.460 -0.001 0.000 0.277 257 C C 2.709 177.008 174.990 -1.152 0.000 1.265 257 C CA 1.142 59.080 59.018 -1.799 0.000 1.752 257 C CB -1.467 25.347 27.740 -1.543 0.000 1.998 257 C HN 0.414 nan 8.230 nan 0.000 0.489 258 R N 0.543 120.694 120.500 -0.581 0.000 2.316 258 R HA -0.081 4.258 4.340 -0.001 0.000 0.202 258 R C 2.024 178.214 176.300 -0.183 0.000 1.029 258 R CA 1.568 57.514 56.100 -0.257 0.000 1.018 258 R CB -0.395 29.848 30.300 -0.094 0.000 0.888 258 R HN 0.787 nan 8.270 nan 0.000 0.471 259 T N -2.902 111.506 114.554 -0.243 0.000 3.100 259 T HA -0.003 4.347 4.350 -0.001 0.000 0.253 259 T C 0.333 175.046 174.700 0.022 0.000 1.118 259 T CA -0.340 61.711 62.100 -0.082 0.000 1.058 259 T CB 0.056 68.912 68.868 -0.020 0.000 0.953 259 T HN 0.035 nan 8.240 nan 0.000 0.515 260 W N 3.239 124.357 121.300 -0.304 0.000 2.190 260 W HA 0.439 5.099 4.660 -0.001 0.000 0.330 260 W C -2.550 173.858 176.519 -0.184 0.000 1.299 260 W CA -3.053 54.108 57.345 -0.306 0.000 1.215 260 W CB -0.367 28.869 29.460 -0.373 0.000 1.147 260 W HN 0.092 nan 8.180 nan 0.000 0.563 261 P HA 0.002 nan 4.420 nan 0.000 0.274 261 P C 0.188 177.492 177.300 0.006 0.000 1.237 261 P CA -0.075 63.016 63.100 -0.016 0.000 0.793 261 P CB 0.506 32.159 31.700 -0.079 0.000 0.977 262 N N -0.138 118.572 118.700 0.017 0.000 2.725 262 N HA -0.227 4.513 4.740 -0.001 0.000 0.251 262 N C -0.774 174.782 175.510 0.078 0.000 1.031 262 N CA 0.850 53.923 53.050 0.039 0.000 0.720 262 N CB -1.187 37.315 38.487 0.026 0.000 0.930 262 N HN 0.616 nan 8.380 nan 0.000 0.543 263 Q N 0.086 119.931 119.800 0.074 0.000 2.356 263 Q HA 0.548 4.888 4.340 -0.001 0.000 0.270 263 Q C -0.587 175.441 176.000 0.047 0.000 1.058 263 Q CA -0.594 55.261 55.803 0.086 0.000 0.802 263 Q CB 1.136 29.951 28.738 0.128 0.000 1.303 263 Q HN 0.372 nan 8.270 nan 0.000 0.444 264 T N 0.160 114.718 114.554 0.006 0.000 2.925 264 T HA 0.581 4.931 4.350 -0.001 0.000 0.285 264 T C -0.554 174.101 174.700 -0.075 0.000 1.021 264 T CA -0.823 61.260 62.100 -0.028 0.000 1.042 264 T CB 1.834 70.684 68.868 -0.030 0.000 1.037 264 T HN 0.630 nan 8.240 nan 0.000 0.481 265 E N 1.254 121.400 120.200 -0.090 0.000 2.272 265 E HA 0.613 4.962 4.350 -0.001 0.000 0.269 265 E C -1.101 175.375 176.600 -0.208 0.000 0.877 265 E CA -1.089 55.206 56.400 -0.174 0.000 0.755 265 E CB 1.636 31.259 29.700 -0.127 0.000 1.192 265 E HN 0.818 nan 8.360 nan 0.000 0.422 266 I N -0.437 119.958 120.570 -0.292 0.000 2.892 266 I HA 0.632 4.802 4.170 -0.001 0.000 0.306 266 I C -0.846 175.078 176.117 -0.321 0.000 1.078 266 I CA -0.622 60.531 61.300 -0.246 0.000 1.032 266 I CB 2.548 40.435 38.000 -0.189 0.000 1.229 266 I HN 0.234 nan 8.210 nan 0.000 0.435 267 T N 4.008 118.418 114.554 -0.241 0.000 2.807 267 T HA 0.628 4.977 4.350 -0.001 0.000 0.279 267 T C -0.381 174.214 174.700 -0.175 0.000 0.993 267 T CA -0.518 61.439 62.100 -0.238 0.000 0.970 267 T CB 1.609 70.362 68.868 -0.191 0.000 0.950 267 T HN 0.689 nan 8.240 nan 0.000 0.441 268 V N 0.405 120.216 119.914 -0.171 0.000 2.960 268 V HA 0.999 5.118 4.120 -0.001 0.000 0.315 268 V C 0.012 176.044 176.094 -0.103 0.000 1.087 268 V CA -1.570 60.655 62.300 -0.125 0.000 0.982 268 V CB 1.359 33.108 31.823 -0.123 0.000 1.039 268 V HN 1.007 nan 8.190 nan 0.000 0.437 269 A N 1.429 124.204 122.820 -0.075 0.000 2.440 269 A HA 0.851 5.170 4.320 -0.001 0.000 0.251 269 A C 0.712 178.264 177.584 -0.052 0.000 1.089 269 A CA 0.625 52.628 52.037 -0.056 0.000 0.779 269 A CB -0.318 18.658 19.000 -0.040 0.000 1.022 269 A HN 2.671 nan 8.150 nan 0.000 0.492 270 G N -0.888 107.887 108.800 -0.041 0.000 2.339 270 G HA2 0.616 4.576 3.960 -0.001 0.000 0.302 270 G HA3 0.616 4.576 3.960 -0.001 0.000 0.302 270 G C -0.178 174.713 174.900 -0.016 0.000 1.425 270 G CA 0.013 45.096 45.100 -0.028 0.000 0.899 270 G HN 1.507 nan 8.290 nan 0.000 0.619 271 A N -0.520 122.308 122.820 0.014 0.000 2.686 271 A HA 0.598 4.918 4.320 -0.001 0.000 0.221 271 A C 1.552 179.159 177.584 0.038 0.000 2.249 271 A CA 1.785 53.840 52.037 0.031 0.000 1.005 271 A CB -0.517 18.523 19.000 0.067 0.000 1.391 271 A HN 1.303 nan 8.150 nan 0.000 0.536 272 H N -1.728 117.313 119.070 -0.049 0.000 2.393 272 H HA 0.328 4.885 4.556 0.000 0.000 0.307 272 H C -0.277 174.950 175.328 -0.167 0.000 1.038 272 H CA 0.308 56.248 56.048 -0.180 0.000 1.351 272 H CB 0.002 29.521 29.762 -0.405 0.000 1.464 272 H HN 0.304 nan 8.280 nan 0.000 0.575 273 F N 2.920 122.864 119.950 -0.010 0.000 2.669 273 F HA 0.161 4.687 4.527 -0.001 0.000 0.353 273 F C 1.452 177.127 175.800 -0.208 0.000 1.192 273 F CA -0.256 57.658 58.000 -0.144 0.000 1.317 273 F CB -0.348 38.638 39.000 -0.024 0.000 1.652 273 F HN 0.305 nan 8.300 nan 0.000 0.608 274 I N -2.296 118.155 120.570 -0.198 0.000 2.830 274 I HA -0.192 3.977 4.170 -0.001 0.000 0.263 274 I C 1.595 177.627 176.117 -0.142 0.000 1.230 274 I CA 1.015 62.233 61.300 -0.138 0.000 1.480 274 I CB -0.245 37.666 38.000 -0.149 0.000 1.095 274 I HN 0.214 nan 8.210 nan 0.000 0.455 275 Q N 1.515 121.178 119.800 -0.228 0.000 2.226 275 Q HA -0.128 4.211 4.340 -0.001 0.000 0.204 275 Q C 1.865 177.806 176.000 -0.099 0.000 0.975 275 Q CA 1.347 57.032 55.803 -0.196 0.000 0.866 275 Q CB -0.239 28.283 28.738 -0.359 0.000 0.915 275 Q HN 0.571 nan 8.270 nan 0.000 0.440 276 E N -0.049 120.122 120.200 -0.048 0.000 2.442 276 E HA -0.054 4.296 4.350 -0.001 0.000 0.195 276 E C 0.608 177.209 176.600 0.002 0.000 1.030 276 E CA 0.497 56.898 56.400 0.003 0.000 0.869 276 E CB 0.292 30.025 29.700 0.054 0.000 0.857 276 E HN 0.426 nan 8.360 nan 0.000 0.505 277 D N -0.207 120.186 120.400 -0.012 0.000 2.394 277 D HA 0.074 4.713 4.640 -0.001 0.000 0.226 277 D C 0.311 176.596 176.300 -0.025 0.000 0.990 277 D CA 0.521 54.514 54.000 -0.011 0.000 0.902 277 D CB 0.527 41.322 40.800 -0.008 0.000 1.038 277 D HN -0.122 nan 8.370 nan 0.000 0.499 278 S N 1.365 117.039 115.700 -0.043 0.000 2.617 278 S HA 0.173 4.642 4.470 -0.001 0.000 0.237 278 S C -1.949 172.616 174.600 -0.060 0.000 1.142 278 S CA -0.775 57.395 58.200 -0.051 0.000 1.167 278 S CB 1.695 64.856 63.200 -0.065 0.000 1.068 278 S HN 0.101 nan 8.310 nan 0.000 0.470 279 P HA -0.086 nan 4.420 nan 0.000 0.217 279 P C 0.605 177.856 177.300 -0.082 0.000 1.150 279 P CA 1.194 64.268 63.100 -0.043 0.000 0.832 279 P CB 0.189 31.881 31.700 -0.013 0.000 0.787 280 D N -0.075 120.297 120.400 -0.045 0.000 2.149 280 D HA -0.121 4.518 4.640 -0.001 0.000 0.201 280 D C 2.074 178.248 176.300 -0.209 0.000 0.972 280 D CA 0.899 54.850 54.000 -0.082 0.000 0.835 280 D CB -0.364 40.488 40.800 0.087 0.000 0.966 280 D HN 0.307 nan 8.370 nan 0.000 0.476 281 E N 0.293 120.420 120.200 -0.123 0.000 2.077 281 E HA -0.117 4.232 4.350 -0.001 0.000 0.193 281 E C 2.248 178.756 176.600 -0.153 0.000 0.989 281 E CA 0.588 56.917 56.400 -0.118 0.000 0.800 281 E CB 0.039 29.686 29.700 -0.089 0.000 0.746 281 E HN 0.210 nan 8.360 nan 0.000 0.452 282 I N 0.123 120.605 120.570 -0.147 0.000 2.202 282 I HA -0.166 4.004 4.170 -0.001 0.000 0.242 282 I C 2.504 178.537 176.117 -0.140 0.000 1.091 282 I CA 1.129 62.363 61.300 -0.110 0.000 1.368 282 I CB -0.529 37.443 38.000 -0.047 0.000 1.058 282 I HN 0.223 nan 8.210 nan 0.000 0.410 283 G N 0.525 109.143 108.800 -0.303 0.000 2.440 283 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.218 283 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.218 283 G C 1.858 176.526 174.900 -0.388 0.000 1.154 283 G CA 0.883 45.714 45.100 -0.450 0.000 0.767 283 G HN 0.492 nan 8.290 nan 0.000 0.552 284 A N 1.072 123.612 122.820 -0.465 0.000 1.902 284 A HA 0.256 4.575 4.320 -0.001 0.000 0.217 284 A C 2.803 180.361 177.584 -0.044 0.000 1.181 284 A CA 2.313 54.276 52.037 -0.125 0.000 0.623 284 A CB -0.726 18.233 19.000 -0.069 0.000 0.818 284 A HN 0.787 nan 8.150 nan 0.000 0.443 285 A N -0.123 122.655 122.820 -0.071 0.000 1.898 285 A HA -0.019 4.300 4.320 -0.001 0.000 0.216 285 A C 2.104 179.702 177.584 0.024 0.000 1.181 285 A CA 1.402 53.417 52.037 -0.036 0.000 0.620 285 A CB -0.579 18.370 19.000 -0.086 0.000 0.819 285 A HN 0.482 nan 8.150 nan 0.000 0.442 286 I N -0.062 120.525 120.570 0.028 0.000 2.179 286 I HA -0.293 3.877 4.170 -0.001 0.000 0.242 286 I C 2.973 179.180 176.117 0.150 0.000 1.088 286 I CA 1.133 62.500 61.300 0.111 0.000 1.357 286 I CB -0.352 37.707 38.000 0.099 0.000 1.051 286 I HN 0.346 nan 8.210 nan 0.000 0.409 287 A N 0.726 123.611 122.820 0.108 0.000 1.902 287 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 287 A C 2.544 180.183 177.584 0.091 0.000 1.181 287 A CA 1.957 54.057 52.037 0.105 0.000 0.623 287 A CB -0.891 18.182 19.000 0.122 0.000 0.818 287 A HN 0.441 nan 8.150 nan 0.000 0.443 288 A N -1.182 121.695 122.820 0.094 0.000 1.902 288 A HA -0.033 4.286 4.320 -0.001 0.000 0.217 288 A C 2.032 179.694 177.584 0.130 0.000 1.181 288 A CA 1.642 53.732 52.037 0.088 0.000 0.623 288 A CB -0.724 18.318 19.000 0.071 0.000 0.818 288 A HN 0.672 nan 8.150 nan 0.000 0.443 289 F N 0.948 120.892 119.950 -0.010 0.000 2.095 289 F HA -0.171 4.355 4.527 -0.002 0.000 0.298 289 F C 2.265 178.059 175.800 -0.010 0.000 1.104 289 F CA 1.967 59.961 58.000 -0.010 0.000 1.232 289 F CB -0.562 38.428 39.000 -0.016 0.000 0.987 289 F HN 0.027 nan 8.300 nan 0.000 0.475 290 V N 0.986 120.863 119.914 -0.062 0.000 2.343 290 V HA -0.295 3.824 4.120 -0.001 0.000 0.247 290 V C 2.549 178.573 176.094 -0.117 0.000 1.051 290 V CA 2.217 64.415 62.300 -0.170 0.000 1.036 290 V CB -0.725 31.057 31.823 -0.069 0.000 0.654 290 V HN 0.281 nan 8.190 nan 0.000 0.451 291 R N -0.372 120.104 120.500 -0.040 0.000 2.096 291 R HA -0.153 4.187 4.340 -0.001 0.000 0.235 291 R C 2.518 178.792 176.300 -0.043 0.000 1.127 291 R CA 1.253 57.337 56.100 -0.027 0.000 0.968 291 R CB -0.284 30.019 30.300 0.005 0.000 0.861 291 R HN 0.341 nan 8.270 nan 0.000 0.440 292 R N 0.539 121.009 120.500 -0.050 0.000 2.090 292 R HA 0.004 4.344 4.340 -0.001 0.000 0.228 292 R C 2.089 178.330 176.300 -0.099 0.000 1.110 292 R CA 0.964 57.034 56.100 -0.050 0.000 0.973 292 R CB -0.587 29.706 30.300 -0.012 0.000 0.869 292 R HN 0.224 nan 8.270 nan 0.000 0.440 293 L N -0.130 120.979 121.223 -0.189 0.000 2.291 293 L HA 0.019 4.359 4.340 -0.001 0.000 0.214 293 L C 0.516 177.308 176.870 -0.130 0.000 1.120 293 L CA 0.949 55.664 54.840 -0.209 0.000 0.799 293 L CB -0.009 41.831 42.059 -0.365 0.000 0.925 293 L HN 0.012 nan 8.230 nan 0.000 0.446 294 R N 0.449 120.887 120.500 -0.103 0.000 2.835 294 R HA 0.261 4.601 4.340 -0.001 0.000 0.290 294 R C -2.358 173.915 176.300 -0.043 0.000 1.410 294 R CA -1.332 54.727 56.100 -0.067 0.000 1.590 294 R CB 0.458 30.718 30.300 -0.065 0.000 1.288 294 R HN 0.027 nan 8.270 nan 0.000 0.637 295 P HA 0.162 nan 4.420 nan 0.000 0.274 295 P C -0.091 177.199 177.300 -0.017 0.000 1.231 295 P CA -0.194 62.892 63.100 -0.023 0.000 0.790 295 P CB 1.037 32.725 31.700 -0.020 0.000 0.951 296 A N 0.000 122.813 122.820 -0.011 0.000 2.254 296 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 296 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 296 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 296 A HN 0.000 nan 8.150 nan 0.000 0.486