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 2bo8_1_G DATA FIRST_RESID 2 DATA SEQUENCE SLVVFPFKHE HPEVLLHNVR VAAAHPRVHE VLCIGYERDQ TYEAVERAAP DATA SEQUENCE EISRATGTPV SVRLQERLGT LRPGKGDGMN TALRYFLEET QWERIHFYDA DATA SEQUENCE DITSFGPDWI TKAEEAADFG YGLVRHYFPR ASTDAMITWM ITRTGFALLW DATA SEQUENCE PHTELSWIEQ PLGGELLMRR EVAAMLYEDE RVRRRSDWGI DTLYTFVTVQ DATA SEQUENCE QGVSIYECYI PEGKAHRLYG GLDDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE N 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.464 174.600 -0.226 0.000 1.055 2 S CA 0.000 58.204 58.200 0.006 0.000 1.107 2 S CB 0.000 63.270 63.200 0.117 0.000 0.593 3 L N 2.099 123.280 121.223 -0.070 0.000 2.307 3 L HA 0.836 5.176 4.340 -0.000 0.000 0.284 3 L C -1.262 175.532 176.870 -0.127 0.000 1.023 3 L CA -0.279 54.500 54.840 -0.101 0.000 0.810 3 L CB 1.299 43.440 42.059 0.137 0.000 1.231 3 L HN 0.509 nan 8.230 nan 0.000 0.423 4 V N 5.965 125.782 119.914 -0.162 0.000 2.417 4 V HA 0.548 4.668 4.120 -0.000 0.000 0.291 4 V C -0.436 175.456 176.094 -0.337 0.000 1.024 4 V CA -0.594 61.563 62.300 -0.238 0.000 0.861 4 V CB 1.804 33.488 31.823 -0.233 0.000 0.985 4 V HN 0.568 nan 8.190 nan 0.000 0.436 5 V N 5.559 125.170 119.914 -0.505 0.000 2.495 5 V HA 0.529 4.649 4.120 -0.000 0.000 0.298 5 V C -0.827 175.000 176.094 -0.445 0.000 1.031 5 V CA -0.501 61.546 62.300 -0.421 0.000 0.871 5 V CB 1.714 33.201 31.823 -0.561 0.000 0.988 5 V HN 0.706 nan 8.190 nan 0.000 0.432 6 F N 6.325 126.320 119.950 0.074 0.000 2.366 6 F HA 0.468 4.995 4.527 -0.000 0.000 0.366 6 F C -2.192 173.752 175.800 0.241 0.000 1.096 6 F CA -2.413 55.668 58.000 0.136 0.000 1.060 6 F CB 1.808 40.840 39.000 0.053 0.000 1.282 6 F HN 0.299 nan 8.300 nan 0.000 0.450 7 P HA 0.234 nan 4.420 nan 0.000 0.281 7 P C -1.040 176.455 177.300 0.325 0.000 1.252 7 P CA -0.215 63.056 63.100 0.285 0.000 0.778 7 P CB 0.741 32.571 31.700 0.217 0.000 0.895 8 F N 1.136 121.157 119.950 0.119 0.000 2.565 8 F HA 0.669 5.196 4.527 -0.000 0.000 0.313 8 F C 0.560 176.381 175.800 0.035 0.000 1.091 8 F CA -1.144 56.903 58.000 0.078 0.000 0.915 8 F CB 1.852 40.893 39.000 0.069 0.000 1.208 8 F HN 0.162 nan 8.300 nan 0.000 0.453 9 K N 0.195 120.621 120.400 0.043 0.000 2.312 9 K HA 0.275 4.595 4.320 -0.000 0.000 0.230 9 K C -0.445 176.055 176.600 -0.167 0.000 1.048 9 K CA -0.114 56.043 56.287 -0.217 0.000 0.938 9 K CB 0.183 32.430 32.500 -0.421 0.000 1.139 9 K HN 0.737 nan 8.250 nan 0.000 0.461 10 H N 1.194 120.335 119.070 0.119 0.000 2.762 10 H HA 0.398 4.954 4.556 -0.000 0.000 0.310 10 H C -1.107 174.245 175.328 0.040 0.000 1.004 10 H CA -0.403 55.701 56.048 0.093 0.000 1.267 10 H CB 1.603 31.377 29.762 0.021 0.000 1.437 10 H HN 0.280 nan 8.280 nan 0.000 0.498 11 E N 0.633 120.913 120.200 0.134 0.000 2.433 11 E HA 0.278 4.628 4.350 -0.000 0.000 0.273 11 E C -0.899 175.628 176.600 -0.122 0.000 0.950 11 E CA -0.855 55.528 56.400 -0.028 0.000 0.796 11 E CB 1.667 31.388 29.700 0.036 0.000 1.330 11 E HN 0.527 nan 8.360 nan 0.000 0.455 12 H N 1.536 120.617 119.070 0.019 0.000 2.899 12 H HA 0.076 4.632 4.556 -0.000 0.000 0.303 12 H C -1.648 173.643 175.328 -0.062 0.000 1.042 12 H CA -1.221 54.818 56.048 -0.016 0.000 1.479 12 H CB 0.627 30.376 29.762 -0.022 0.000 1.493 12 H HN 0.320 nan 8.280 nan 0.000 0.534 13 P HA -0.218 nan 4.420 nan 0.000 0.216 13 P C 0.862 178.124 177.300 -0.064 0.000 1.153 13 P CA 1.339 64.404 63.100 -0.058 0.000 0.858 13 P CB 0.356 32.033 31.700 -0.039 0.000 0.789 14 E N -0.722 119.465 120.200 -0.022 0.000 2.150 14 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 14 E C 1.952 178.526 176.600 -0.043 0.000 0.985 14 E CA 0.789 57.164 56.400 -0.041 0.000 0.814 14 E CB -1.512 28.159 29.700 -0.048 0.000 0.752 14 E HN 0.080 nan 8.360 nan 0.000 0.466 15 V N 0.950 120.846 119.914 -0.030 0.000 2.270 15 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 15 V C 2.173 178.203 176.094 -0.106 0.000 1.043 15 V CA 1.613 63.891 62.300 -0.038 0.000 1.014 15 V CB -0.532 31.298 31.823 0.011 0.000 0.645 15 V HN 0.222 nan 8.190 nan 0.000 0.447 16 L N -0.355 120.763 121.223 -0.175 0.000 2.056 16 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 16 L C 2.190 178.828 176.870 -0.388 0.000 1.078 16 L CA 1.765 56.397 54.840 -0.347 0.000 0.749 16 L CB -0.602 41.237 42.059 -0.367 0.000 0.901 16 L HN 0.181 nan 8.230 nan 0.000 0.433 17 L N -0.817 120.256 121.223 -0.249 0.000 2.079 17 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 17 L C 2.707 179.480 176.870 -0.163 0.000 1.081 17 L CA 1.661 56.378 54.840 -0.205 0.000 0.752 17 L CB -0.969 41.010 42.059 -0.134 0.000 0.896 17 L HN 0.547 nan 8.230 nan 0.000 0.433 18 H N 0.726 119.678 119.070 -0.197 0.000 2.290 18 H HA -0.185 4.371 4.556 -0.000 0.000 0.298 18 H C 1.967 177.195 175.328 -0.166 0.000 1.087 18 H CA 2.053 58.010 56.048 -0.152 0.000 1.291 18 H CB 0.199 29.886 29.762 -0.124 0.000 1.369 18 H HN 0.359 nan 8.280 nan 0.000 0.492 19 N N 0.534 119.005 118.700 -0.381 0.000 2.069 19 N HA -0.140 4.600 4.740 -0.000 0.000 0.191 19 N C 2.276 177.505 175.510 -0.469 0.000 1.031 19 N CA 1.244 53.991 53.050 -0.505 0.000 0.852 19 N CB -0.692 37.242 38.487 -0.921 0.000 1.018 19 N HN 0.181 nan 8.380 nan 0.000 0.423 20 V N 1.300 120.855 119.914 -0.599 0.000 2.332 20 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 20 V C 2.518 178.546 176.094 -0.110 0.000 1.055 20 V CA 1.593 63.729 62.300 -0.272 0.000 1.038 20 V CB -0.434 31.233 31.823 -0.261 0.000 0.651 20 V HN 0.209 nan 8.190 nan 0.000 0.450 21 R N -0.364 120.037 120.500 -0.165 0.000 2.083 21 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 21 R C 2.150 178.383 176.300 -0.111 0.000 1.137 21 R CA 1.721 57.746 56.100 -0.125 0.000 0.951 21 R CB -0.673 29.543 30.300 -0.140 0.000 0.851 21 R HN 0.395 nan 8.270 nan 0.000 0.434 22 V N 0.444 120.257 119.914 -0.168 0.000 2.233 22 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 22 V C 2.326 178.429 176.094 0.015 0.000 1.050 22 V CA 2.068 64.297 62.300 -0.119 0.000 1.010 22 V CB -0.934 30.784 31.823 -0.175 0.000 0.637 22 V HN 0.557 nan 8.190 nan 0.000 0.444 23 A N 0.053 122.968 122.820 0.159 0.000 1.873 23 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 23 A C 2.419 180.036 177.584 0.056 0.000 1.193 23 A CA 2.597 54.724 52.037 0.150 0.000 0.629 23 A CB -1.029 18.126 19.000 0.257 0.000 0.826 23 A HN 0.642 nan 8.150 nan 0.000 0.447 24 A N -0.528 122.314 122.820 0.036 0.000 1.972 24 A HA 0.174 4.494 4.320 -0.000 0.000 0.219 24 A C 2.370 179.952 177.584 -0.003 0.000 1.169 24 A CA 1.999 54.039 52.037 0.005 0.000 0.635 24 A CB -0.822 18.178 19.000 0.000 0.000 0.810 24 A HN 1.163 nan 8.150 nan 0.000 0.446 25 A N -1.707 121.109 122.820 -0.006 0.000 2.167 25 A HA 0.012 4.331 4.320 -0.000 0.000 0.214 25 A C 1.198 178.769 177.584 -0.022 0.000 1.151 25 A CA 0.241 52.263 52.037 -0.024 0.000 0.735 25 A CB -0.536 18.437 19.000 -0.046 0.000 0.802 25 A HN 0.608 nan 8.150 nan 0.000 0.467 26 H N 0.454 119.471 119.070 -0.089 0.000 2.722 26 H HA 0.174 4.730 4.556 -0.000 0.000 0.328 26 H C -1.830 173.432 175.328 -0.110 0.000 1.067 26 H CA -1.689 54.300 56.048 -0.100 0.000 1.447 26 H CB 1.299 30.991 29.762 -0.117 0.000 1.469 26 H HN 0.031 nan 8.280 nan 0.000 0.544 27 P HA -0.079 nan 4.420 nan 0.000 0.221 27 P C 0.912 178.225 177.300 0.021 0.000 1.145 27 P CA 1.269 64.351 63.100 -0.030 0.000 0.795 27 P CB 0.237 31.888 31.700 -0.083 0.000 0.775 28 R N -1.288 119.339 120.500 0.212 0.000 2.334 28 R HA 0.166 4.506 4.340 -0.000 0.000 0.216 28 R C -0.044 176.034 176.300 -0.369 0.000 0.905 28 R CA 0.013 56.085 56.100 -0.047 0.000 1.064 28 R CB 0.335 30.686 30.300 0.085 0.000 1.046 28 R HN 0.071 nan 8.270 nan 0.000 0.508 29 V N 1.859 121.580 119.914 -0.321 0.000 2.406 29 V HA 0.078 4.198 4.120 -0.000 0.000 0.272 29 V C 0.718 176.490 176.094 -0.535 0.000 1.043 29 V CA -0.320 61.740 62.300 -0.401 0.000 0.915 29 V CB 1.294 32.980 31.823 -0.228 0.000 0.988 29 V HN 0.281 nan 8.190 nan 0.000 0.466 30 H N 2.974 121.780 119.070 -0.440 0.000 2.648 30 H HA 0.383 4.939 4.556 -0.000 0.000 0.265 30 H C 0.486 175.496 175.328 -0.531 0.000 0.961 30 H CA 0.213 55.885 56.048 -0.626 0.000 1.185 30 H CB 1.157 30.125 29.762 -1.323 0.000 1.449 30 H HN 0.724 nan 8.280 nan 0.000 0.523 31 E N 0.498 120.492 120.200 -0.343 0.000 2.422 31 E HA 0.315 4.665 4.350 -0.000 0.000 0.289 31 E C -1.757 174.816 176.600 -0.045 0.000 0.985 31 E CA -0.357 55.996 56.400 -0.078 0.000 0.812 31 E CB 2.263 32.050 29.700 0.145 0.000 1.226 31 E HN -0.163 nan 8.360 nan 0.000 0.419 32 V N 4.113 124.043 119.914 0.028 0.000 2.459 32 V HA 0.524 4.644 4.120 -0.000 0.000 0.295 32 V C -0.610 175.521 176.094 0.062 0.000 1.029 32 V CA -0.778 61.549 62.300 0.045 0.000 0.874 32 V CB 1.405 33.284 31.823 0.093 0.000 0.985 32 V HN 0.567 nan 8.190 nan 0.000 0.438 33 L N 5.445 126.692 121.223 0.040 0.000 2.362 33 L HA 0.693 5.033 4.340 -0.000 0.000 0.275 33 L C -0.645 176.282 176.870 0.096 0.000 0.998 33 L CA 0.131 54.974 54.840 0.004 0.000 0.820 33 L CB 1.507 43.513 42.059 -0.088 0.000 1.270 33 L HN 0.762 nan 8.230 nan 0.000 0.415 34 C N 6.084 125.462 119.300 0.130 0.000 2.264 34 C HA 0.550 5.010 4.460 -0.000 0.000 0.324 34 C C -0.042 175.128 174.990 0.300 0.000 1.267 34 C CA -1.018 58.183 59.018 0.306 0.000 1.618 34 C CB 0.175 28.086 27.740 0.284 0.000 2.278 34 C HN 0.490 nan 8.230 nan 0.000 0.499 35 I N 3.859 124.579 120.570 0.249 0.000 2.297 35 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 35 I C 0.935 176.830 176.117 -0.371 0.000 1.033 35 I CA 0.582 61.906 61.300 0.039 0.000 1.253 35 I CB 0.503 38.543 38.000 0.067 0.000 1.396 35 I HN 0.863 nan 8.210 nan 0.000 0.476 36 G N 4.596 113.087 108.800 -0.514 0.000 2.389 36 G HA2 0.211 4.171 3.960 -0.000 0.000 0.317 36 G HA3 0.211 4.171 3.960 -0.000 0.000 0.317 36 G C 0.225 174.865 174.900 -0.434 0.000 1.137 36 G CA -0.295 44.154 45.100 -1.084 0.000 0.870 36 G HN 0.602 nan 8.290 nan 0.000 0.496 37 Y N 0.872 120.849 120.300 -0.538 0.000 2.133 37 Y HA 0.021 4.571 4.550 -0.000 0.000 0.287 37 Y C 1.362 177.123 175.900 -0.232 0.000 1.134 37 Y CA 2.018 59.923 58.100 -0.325 0.000 1.133 37 Y CB 0.326 38.581 38.460 -0.341 0.000 0.987 37 Y HN 0.648 nan 8.280 nan 0.000 0.502 38 E N -0.612 119.516 120.200 -0.120 0.000 2.456 38 E HA 0.254 4.604 4.350 -0.000 0.000 0.276 38 E C -1.015 175.498 176.600 -0.146 0.000 0.981 38 E CA -1.101 55.184 56.400 -0.192 0.000 0.814 38 E CB 1.018 30.662 29.700 -0.094 0.000 1.382 38 E HN 0.056 nan 8.360 nan 0.000 0.459 39 R N 1.552 121.886 120.500 -0.276 0.000 3.247 39 R HA 0.065 4.405 4.340 -0.000 0.000 0.212 39 R C -0.586 175.712 176.300 -0.004 0.000 1.604 39 R CA 0.114 56.006 56.100 -0.348 0.000 1.279 39 R CB -0.452 29.600 30.300 -0.412 0.000 1.277 39 R HN 0.412 nan 8.270 nan 0.000 0.669 40 D N -0.271 120.238 120.400 0.182 0.000 2.567 40 D HA 0.019 4.659 4.640 -0.000 0.000 0.275 40 D C 0.799 177.231 176.300 0.221 0.000 1.195 40 D CA -0.492 53.635 54.000 0.212 0.000 1.087 40 D CB 0.418 41.394 40.800 0.292 0.000 1.165 40 D HN -0.010 nan 8.370 nan 0.000 0.609 41 Q N -0.244 119.656 119.800 0.167 0.000 1.978 41 Q HA -0.195 4.145 4.340 -0.000 0.000 0.211 41 Q C 2.163 178.239 176.000 0.127 0.000 1.013 41 Q CA 2.758 58.636 55.803 0.125 0.000 0.869 41 Q CB -1.629 27.162 28.738 0.088 0.000 0.953 41 Q HN 0.717 nan 8.270 nan 0.000 0.415 42 T N 0.972 115.606 114.554 0.134 0.000 2.620 42 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 42 T C 1.703 176.401 174.700 -0.003 0.000 1.044 42 T CA 1.927 64.041 62.100 0.024 0.000 1.161 42 T CB -0.889 67.989 68.868 0.016 0.000 0.862 42 T HN 0.326 nan 8.240 nan 0.000 0.438 43 Y N 1.691 122.080 120.300 0.147 0.000 2.114 43 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 43 Y C 2.621 178.567 175.900 0.077 0.000 1.165 43 Y CA 2.057 60.285 58.100 0.212 0.000 1.148 43 Y CB -0.335 38.309 38.460 0.307 0.000 0.972 43 Y HN 0.207 nan 8.280 nan 0.000 0.504 44 E N -0.335 120.034 120.200 0.280 0.000 2.077 44 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 44 E C 2.297 178.924 176.600 0.045 0.000 0.989 44 E CA 1.279 57.782 56.400 0.173 0.000 0.800 44 E CB -0.483 29.303 29.700 0.144 0.000 0.746 44 E HN 0.529 nan 8.360 nan 0.000 0.452 45 A N 0.085 122.909 122.820 0.007 0.000 1.849 45 A HA -0.235 4.084 4.320 -0.000 0.000 0.217 45 A C 2.462 179.988 177.584 -0.096 0.000 1.202 45 A CA 2.052 54.062 52.037 -0.045 0.000 0.629 45 A CB -1.113 17.851 19.000 -0.060 0.000 0.834 45 A HN 0.179 nan 8.150 nan 0.000 0.447 46 V N 0.025 119.833 119.914 -0.176 0.000 2.324 46 V HA -0.319 3.801 4.120 -0.000 0.000 0.250 46 V C 2.532 178.524 176.094 -0.170 0.000 1.060 46 V CA 2.507 64.674 62.300 -0.222 0.000 1.042 46 V CB -0.909 30.698 31.823 -0.359 0.000 0.650 46 V HN 0.748 nan 8.190 nan 0.000 0.450 47 E N -0.157 119.940 120.200 -0.172 0.000 2.077 47 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 47 E C 2.508 179.081 176.600 -0.046 0.000 0.989 47 E CA 1.215 57.547 56.400 -0.113 0.000 0.800 47 E CB -0.052 29.606 29.700 -0.071 0.000 0.746 47 E HN 0.469 nan 8.360 nan 0.000 0.452 48 R N -0.384 120.097 120.500 -0.031 0.000 2.081 48 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 48 R C 2.277 178.561 176.300 -0.027 0.000 1.131 48 R CA 1.230 57.321 56.100 -0.016 0.000 0.960 48 R CB -0.174 30.122 30.300 -0.007 0.000 0.856 48 R HN 0.152 nan 8.270 nan 0.000 0.436 49 A N 0.597 123.389 122.820 -0.047 0.000 1.929 49 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 49 A C 2.280 179.837 177.584 -0.044 0.000 1.176 49 A CA 1.326 53.334 52.037 -0.048 0.000 0.628 49 A CB -0.552 18.407 19.000 -0.069 0.000 0.816 49 A HN 0.422 nan 8.150 nan 0.000 0.444 50 A N 0.752 123.541 122.820 -0.053 0.000 1.884 50 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 50 A C 0.273 177.849 177.584 -0.014 0.000 1.197 50 A CA 2.190 54.204 52.037 -0.039 0.000 0.637 50 A CB -1.887 17.086 19.000 -0.045 0.000 0.827 50 A HN 0.453 nan 8.150 nan 0.000 0.450 51 P HA -0.173 nan 4.420 nan 0.000 0.216 51 P C 1.545 178.848 177.300 0.005 0.000 1.150 51 P CA 1.406 64.510 63.100 0.007 0.000 0.837 51 P CB -0.045 31.661 31.700 0.010 0.000 0.786 52 E N 0.140 120.338 120.200 -0.003 0.000 2.017 52 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 52 E C 2.024 178.621 176.600 -0.005 0.000 0.997 52 E CA 1.306 57.703 56.400 -0.004 0.000 0.804 52 E CB -0.873 28.821 29.700 -0.010 0.000 0.757 52 E HN 0.165 nan 8.360 nan 0.000 0.448 53 I N 1.286 121.848 120.570 -0.013 0.000 2.118 53 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 53 I C 2.534 178.649 176.117 -0.003 0.000 1.070 53 I CA 1.722 63.013 61.300 -0.015 0.000 1.327 53 I CB -0.451 37.531 38.000 -0.029 0.000 1.034 53 I HN 0.101 nan 8.210 nan 0.000 0.405 54 S N 0.557 116.261 115.700 0.006 0.000 2.383 54 S HA -0.244 4.226 4.470 -0.000 0.000 0.229 54 S C 2.022 176.635 174.600 0.023 0.000 1.030 54 S CA 1.114 59.326 58.200 0.021 0.000 1.002 54 S CB -0.554 62.667 63.200 0.034 0.000 0.829 54 S HN 0.425 nan 8.310 nan 0.000 0.467 55 R N 1.555 122.066 120.500 0.018 0.000 2.075 55 R HA 0.044 4.384 4.340 -0.000 0.000 0.232 55 R C 2.480 178.788 176.300 0.013 0.000 1.126 55 R CA 1.171 57.282 56.100 0.018 0.000 0.963 55 R CB -0.631 29.678 30.300 0.015 0.000 0.858 55 R HN 0.479 nan 8.270 nan 0.000 0.435 56 A N -0.025 122.799 122.820 0.006 0.000 1.972 56 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 56 A C 1.948 179.533 177.584 0.001 0.000 1.169 56 A CA 2.020 54.058 52.037 0.001 0.000 0.635 56 A CB -0.412 18.584 19.000 -0.005 0.000 0.810 56 A HN 0.604 nan 8.150 nan 0.000 0.446 57 T N -5.987 108.569 114.554 0.004 0.000 2.985 57 T HA 0.428 4.778 4.350 -0.000 0.000 0.254 57 T C 1.417 176.125 174.700 0.014 0.000 1.021 57 T CA 1.054 63.155 62.100 0.003 0.000 0.957 57 T CB 0.340 69.207 68.868 -0.002 0.000 1.047 57 T HN 1.658 nan 8.240 nan 0.000 0.511 58 G N 1.961 110.776 108.800 0.024 0.000 2.168 58 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.263 58 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.263 58 G C 0.249 175.181 174.900 0.054 0.000 0.977 58 G CA 0.613 45.737 45.100 0.040 0.000 0.659 58 G HN 1.358 nan 8.290 nan 0.000 0.533 59 T N -0.814 113.765 114.554 0.042 0.000 2.812 59 T HA 0.686 5.036 4.350 -0.000 0.000 0.282 59 T C -2.532 172.202 174.700 0.055 0.000 0.990 59 T CA -1.808 60.321 62.100 0.048 0.000 0.960 59 T CB 3.320 72.192 68.868 0.006 0.000 0.948 59 T HN 0.095 nan 8.240 nan 0.000 0.438 60 P HA 0.242 nan 4.420 nan 0.000 0.264 60 P C -0.731 176.622 177.300 0.087 0.000 1.193 60 P CA -0.276 62.886 63.100 0.104 0.000 0.763 60 P CB 0.728 32.527 31.700 0.166 0.000 0.810 61 V N 3.457 123.409 119.914 0.062 0.000 2.487 61 V HA 0.492 4.612 4.120 -0.000 0.000 0.298 61 V C 0.301 176.413 176.094 0.030 0.000 1.028 61 V CA -0.307 62.018 62.300 0.042 0.000 0.860 61 V CB 1.746 33.578 31.823 0.014 0.000 0.991 61 V HN 0.771 nan 8.190 nan 0.000 0.427 62 S N 3.383 119.094 115.700 0.017 0.000 2.595 62 S HA 0.903 5.373 4.470 -0.000 0.000 0.281 62 S C -0.996 173.575 174.600 -0.048 0.000 1.117 62 S CA -0.840 57.353 58.200 -0.013 0.000 0.873 62 S CB 2.081 65.283 63.200 0.002 0.000 1.108 62 S HN 0.495 nan 8.310 nan 0.000 0.477 63 V N 0.957 120.823 119.914 -0.081 0.000 2.628 63 V HA 0.754 4.874 4.120 -0.000 0.000 0.306 63 V C -0.254 175.828 176.094 -0.020 0.000 1.045 63 V CA -0.868 61.363 62.300 -0.115 0.000 0.905 63 V CB 1.359 32.923 31.823 -0.431 0.000 0.997 63 V HN 0.989 nan 8.190 nan 0.000 0.436 64 R N 2.677 123.231 120.500 0.089 0.000 2.668 64 R HA 0.587 4.927 4.340 -0.000 0.000 0.272 64 R C -1.764 174.697 176.300 0.268 0.000 1.019 64 R CA -0.996 55.220 56.100 0.194 0.000 0.894 64 R CB 1.753 32.083 30.300 0.050 0.000 1.228 64 R HN 0.384 nan 8.270 nan 0.000 0.460 65 L N 3.046 124.399 121.223 0.217 0.000 2.426 65 L HA 0.106 4.445 4.340 -0.000 0.000 0.271 65 L C 0.852 177.715 176.870 -0.012 0.000 1.169 65 L CA 0.141 54.998 54.840 0.027 0.000 0.836 65 L CB 0.566 42.566 42.059 -0.098 0.000 1.112 65 L HN 0.673 nan 8.230 nan 0.000 0.465 66 Q N 1.728 121.485 119.800 -0.072 0.000 2.386 66 Q HA 0.130 4.470 4.340 -0.000 0.000 0.282 66 Q C -0.776 175.192 176.000 -0.053 0.000 1.050 66 Q CA -0.046 55.726 55.803 -0.050 0.000 0.918 66 Q CB 0.653 29.348 28.738 -0.072 0.000 1.266 66 Q HN 0.520 nan 8.270 nan 0.000 0.423 67 E N 0.926 121.119 120.200 -0.010 0.000 2.248 67 E HA 0.250 4.600 4.350 -0.000 0.000 0.272 67 E C -0.887 175.696 176.600 -0.028 0.000 1.008 67 E CA -0.994 55.400 56.400 -0.010 0.000 0.856 67 E CB 1.157 30.879 29.700 0.037 0.000 1.120 67 E HN 0.438 nan 8.360 nan 0.000 0.397 68 R N 2.866 123.344 120.500 -0.037 0.000 2.387 68 R HA 0.067 4.407 4.340 -0.000 0.000 0.321 68 R C -0.234 176.049 176.300 -0.028 0.000 1.174 68 R CA 0.491 56.565 56.100 -0.043 0.000 1.002 68 R CB -0.373 29.899 30.300 -0.047 0.000 1.028 68 R HN 0.640 nan 8.270 nan 0.000 0.482 69 L N 2.392 123.592 121.223 -0.037 0.000 2.577 69 L HA 0.409 4.749 4.340 -0.000 0.000 0.225 69 L C 1.326 178.158 176.870 -0.063 0.000 1.053 69 L CA 0.251 55.063 54.840 -0.046 0.000 0.866 69 L CB 0.187 42.204 42.059 -0.071 0.000 1.132 69 L HN 0.729 nan 8.230 nan 0.000 0.486 70 G N -0.250 108.511 108.800 -0.066 0.000 2.606 70 G HA2 0.375 4.335 3.960 -0.000 0.000 0.262 70 G HA3 0.375 4.335 3.960 -0.000 0.000 0.262 70 G C 0.628 175.500 174.900 -0.047 0.000 1.394 70 G CA 0.705 45.767 45.100 -0.062 0.000 1.044 70 G HN 0.117 nan 8.290 nan 0.000 0.553 71 T N -2.704 111.824 114.554 -0.043 0.000 3.009 71 T HA 0.298 4.648 4.350 -0.000 0.000 0.267 71 T C 0.945 175.627 174.700 -0.031 0.000 0.942 71 T CA -0.230 61.850 62.100 -0.033 0.000 0.883 71 T CB 0.019 68.871 68.868 -0.026 0.000 1.192 71 T HN 0.130 nan 8.240 nan 0.000 0.524 72 L N 1.625 122.826 121.223 -0.037 0.000 2.767 72 L HA 0.481 4.821 4.340 -0.000 0.000 0.157 72 L C 1.216 178.065 176.870 -0.035 0.000 1.227 72 L CA -0.369 54.452 54.840 -0.032 0.000 1.557 72 L CB -0.469 41.571 42.059 -0.032 0.000 2.290 72 L HN 0.242 nan 8.230 nan 0.000 0.495 73 R N 1.901 122.378 120.500 -0.038 0.000 2.491 73 R HA 0.134 4.474 4.340 -0.000 0.000 0.283 73 R C -2.276 173.988 176.300 -0.059 0.000 1.072 73 R CA -1.328 54.748 56.100 -0.041 0.000 1.048 73 R CB 0.370 30.643 30.300 -0.046 0.000 0.983 73 R HN 0.267 nan 8.270 nan 0.000 0.450 74 P HA 0.137 nan 4.420 nan 0.000 0.275 74 P C -0.710 176.584 177.300 -0.009 0.000 1.276 74 P CA 0.123 63.205 63.100 -0.031 0.000 0.782 74 P CB 1.335 33.019 31.700 -0.026 0.000 0.851 75 G N 2.962 111.699 108.800 -0.106 0.000 2.827 75 G HA2 0.126 4.086 3.960 -0.000 0.000 0.202 75 G HA3 0.126 4.086 3.960 -0.000 0.000 0.202 75 G C 0.585 175.316 174.900 -0.282 0.000 1.185 75 G CA -0.361 44.591 45.100 -0.246 0.000 0.920 75 G HN 0.281 nan 8.290 nan 0.000 0.550 76 K N -0.201 119.899 120.400 -0.500 0.000 2.103 76 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 76 K C 2.351 178.832 176.600 -0.199 0.000 1.048 76 K CA 2.026 58.103 56.287 -0.348 0.000 0.930 76 K CB -0.814 31.456 32.500 -0.384 0.000 0.716 76 K HN 0.422 nan 8.250 nan 0.000 0.444 77 G N 1.251 109.925 108.800 -0.211 0.000 2.446 77 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 77 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 77 G C 1.079 175.914 174.900 -0.108 0.000 1.168 77 G CA 1.150 46.141 45.100 -0.182 0.000 0.771 77 G HN 0.327 nan 8.290 nan 0.000 0.551 78 D N 0.668 121.008 120.400 -0.100 0.000 2.133 78 D HA -0.099 4.540 4.640 -0.000 0.000 0.195 78 D C 2.612 178.902 176.300 -0.016 0.000 0.997 78 D CA 1.354 55.319 54.000 -0.059 0.000 0.840 78 D CB -0.814 39.947 40.800 -0.065 0.000 0.947 78 D HN 0.302 nan 8.370 nan 0.000 0.452 79 G N 0.713 109.495 108.800 -0.029 0.000 2.511 79 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.216 79 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.216 79 G C 1.688 176.657 174.900 0.115 0.000 1.218 79 G CA 1.082 46.191 45.100 0.014 0.000 0.788 79 G HN 0.222 nan 8.290 nan 0.000 0.560 80 M N 0.375 120.046 119.600 0.118 0.000 2.108 80 M HA -0.083 4.397 4.480 -0.000 0.000 0.261 80 M C 2.356 178.858 176.300 0.336 0.000 1.066 80 M CA 1.582 57.029 55.300 0.245 0.000 1.107 80 M CB -0.535 32.045 32.600 -0.032 0.000 1.356 80 M HN 0.297 nan 8.290 nan 0.000 0.406 81 N N -0.756 118.058 118.700 0.190 0.000 2.396 81 N HA -0.087 4.653 4.740 -0.000 0.000 0.180 81 N C 1.437 177.080 175.510 0.221 0.000 1.028 81 N CA 1.243 54.394 53.050 0.169 0.000 0.893 81 N CB -0.017 38.450 38.487 -0.034 0.000 0.967 81 N HN 0.305 nan 8.380 nan 0.000 0.440 82 T N 0.634 115.301 114.554 0.188 0.000 2.737 82 T HA -0.075 4.275 4.350 -0.000 0.000 0.265 82 T C 2.153 177.043 174.700 0.316 0.000 1.038 82 T CA 1.107 63.342 62.100 0.225 0.000 1.144 82 T CB -0.321 68.628 68.868 0.134 0.000 0.866 82 T HN 0.300 nan 8.240 nan 0.000 0.434 83 A N 1.850 124.857 122.820 0.312 0.000 1.859 83 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 83 A C 2.175 180.016 177.584 0.429 0.000 1.198 83 A CA 1.496 53.734 52.037 0.335 0.000 0.629 83 A CB -1.115 18.060 19.000 0.292 0.000 0.830 83 A HN 0.339 nan 8.150 nan 0.000 0.446 84 L N -0.382 121.144 121.223 0.505 0.000 2.030 84 L HA -0.279 4.061 4.340 -0.000 0.000 0.222 84 L C 2.619 179.806 176.870 0.528 0.000 1.082 84 L CA 2.552 57.724 54.840 0.552 0.000 0.785 84 L CB -1.038 41.374 42.059 0.589 0.000 0.895 84 L HN 0.554 nan 8.230 nan 0.000 0.439 85 R N -1.999 118.850 120.500 0.581 0.000 2.073 85 R HA -0.243 4.097 4.340 -0.000 0.000 0.234 85 R C 2.453 178.891 176.300 0.230 0.000 1.134 85 R CA 1.826 58.134 56.100 0.347 0.000 0.952 85 R CB -0.489 30.108 30.300 0.496 0.000 0.850 85 R HN 0.426 nan 8.270 nan 0.000 0.433 86 Y N 0.313 120.748 120.300 0.226 0.000 2.114 86 Y HA -0.270 4.279 4.550 -0.000 0.000 0.284 86 Y C 1.949 177.962 175.900 0.188 0.000 1.143 86 Y CA 1.840 60.045 58.100 0.175 0.000 1.135 86 Y CB -0.709 37.862 38.460 0.186 0.000 0.980 86 Y HN 0.107 nan 8.280 nan 0.000 0.499 87 F N 0.745 120.798 119.950 0.171 0.000 2.087 87 F HA -0.322 4.205 4.527 -0.000 0.000 0.299 87 F C 1.802 177.577 175.800 -0.041 0.000 1.100 87 F CA 2.207 60.260 58.000 0.087 0.000 1.226 87 F CB -0.801 38.288 39.000 0.148 0.000 0.983 87 F HN 0.125 nan 8.300 nan 0.000 0.479 88 L N -0.555 120.517 121.223 -0.251 0.000 2.095 88 L HA -0.089 4.251 4.340 -0.000 0.000 0.204 88 L C 2.226 178.895 176.870 -0.335 0.000 1.080 88 L CA 1.478 56.076 54.840 -0.404 0.000 0.759 88 L CB -0.740 41.159 42.059 -0.267 0.000 0.914 88 L HN 0.071 nan 8.230 nan 0.000 0.439 89 E N -0.206 119.837 120.200 -0.262 0.000 2.385 89 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 89 E C 0.961 177.407 176.600 -0.256 0.000 1.013 89 E CA 0.473 56.734 56.400 -0.231 0.000 0.866 89 E CB 0.352 29.953 29.700 -0.165 0.000 0.832 89 E HN 0.507 nan 8.360 nan 0.000 0.500 90 E N 0.204 120.186 120.200 -0.363 0.000 2.676 90 E HA 0.041 4.391 4.350 -0.000 0.000 0.225 90 E C 0.164 176.455 176.600 -0.515 0.000 0.944 90 E CA 0.077 56.221 56.400 -0.426 0.000 1.156 90 E CB 1.331 30.717 29.700 -0.522 0.000 1.117 90 E HN 0.068 nan 8.360 nan 0.000 0.523 91 T N -2.380 111.862 114.554 -0.520 0.000 2.858 91 T HA 0.343 4.693 4.350 -0.000 0.000 0.285 91 T C 0.313 174.626 174.700 -0.645 0.000 1.052 91 T CA -0.617 61.126 62.100 -0.596 0.000 1.009 91 T CB 2.122 70.718 68.868 -0.454 0.000 1.241 91 T HN -0.226 nan 8.240 nan 0.000 0.542 92 Q N -0.609 118.654 119.800 -0.895 0.000 2.194 92 Q HA 0.365 4.705 4.340 -0.000 0.000 0.214 92 Q C -0.945 174.787 176.000 -0.446 0.000 0.838 92 Q CA -0.427 55.000 55.803 -0.628 0.000 0.972 92 Q CB 0.141 28.538 28.738 -0.570 0.000 1.131 92 Q HN 0.702 nan 8.270 nan 0.000 0.498 93 W N 0.363 121.629 121.300 -0.057 0.000 2.150 93 W HA 0.130 4.790 4.660 -0.000 0.000 0.341 93 W C 1.343 177.939 176.519 0.128 0.000 1.276 93 W CA -0.728 56.691 57.345 0.123 0.000 1.238 93 W CB 0.720 30.385 29.460 0.342 0.000 1.128 93 W HN 0.015 nan 8.180 nan 0.000 0.581 94 E N 1.007 121.482 120.200 0.457 0.000 2.230 94 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 94 E C 0.197 177.059 176.600 0.436 0.000 0.987 94 E CA 0.827 57.421 56.400 0.323 0.000 0.841 94 E CB 0.136 29.968 29.700 0.221 0.000 0.783 94 E HN 0.433 nan 8.360 nan 0.000 0.481 95 R N -0.285 120.512 120.500 0.495 0.000 2.651 95 R HA 0.554 4.894 4.340 -0.000 0.000 0.278 95 R C -0.801 175.478 176.300 -0.035 0.000 1.010 95 R CA -0.458 55.781 56.100 0.232 0.000 0.896 95 R CB 2.437 32.802 30.300 0.107 0.000 1.211 95 R HN -0.061 nan 8.270 nan 0.000 0.456 96 I N 2.134 122.452 120.570 -0.421 0.000 2.465 96 I HA 0.393 4.563 4.170 -0.000 0.000 0.291 96 I C -0.676 175.172 176.117 -0.447 0.000 1.014 96 I CA -0.675 60.220 61.300 -0.674 0.000 1.093 96 I CB 1.296 38.471 38.000 -1.375 0.000 1.267 96 I HN 0.634 nan 8.210 nan 0.000 0.431 97 H N 6.801 125.631 119.070 -0.399 0.000 2.479 97 H HA 0.396 4.952 4.556 -0.000 0.000 0.335 97 H C -1.428 173.536 175.328 -0.606 0.000 1.142 97 H CA -0.260 55.574 56.048 -0.358 0.000 1.234 97 H CB 1.770 31.423 29.762 -0.182 0.000 1.503 97 H HN 0.386 nan 8.280 nan 0.000 0.510 98 F N 1.686 121.418 119.950 -0.363 0.000 2.520 98 F HA 0.317 4.844 4.527 -0.000 0.000 0.322 98 F C -0.779 174.641 175.800 -0.632 0.000 1.103 98 F CA -0.642 57.148 58.000 -0.351 0.000 0.926 98 F CB 1.331 40.253 39.000 -0.130 0.000 1.154 98 F HN 0.401 nan 8.300 nan 0.000 0.453 99 Y N 0.812 121.124 120.300 0.019 0.000 2.457 99 Y HA 0.311 4.861 4.550 -0.000 0.000 0.343 99 Y C -0.402 175.587 175.900 0.148 0.000 0.994 99 Y CA -1.518 56.614 58.100 0.053 0.000 1.031 99 Y CB 1.245 39.579 38.460 -0.210 0.000 1.246 99 Y HN 0.449 nan 8.280 nan 0.000 0.449 100 D N 1.138 121.740 120.400 0.336 0.000 2.472 100 D HA 0.179 4.819 4.640 -0.000 0.000 0.237 100 D C 0.796 177.253 176.300 0.261 0.000 1.141 100 D CA 0.453 54.614 54.000 0.268 0.000 0.875 100 D CB 1.448 42.353 40.800 0.174 0.000 1.192 100 D HN 0.762 nan 8.370 nan 0.000 0.450 101 A N 2.450 125.420 122.820 0.250 0.000 2.067 101 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 101 A C 1.353 178.955 177.584 0.031 0.000 1.156 101 A CA 0.882 53.005 52.037 0.144 0.000 0.683 101 A CB -0.065 19.051 19.000 0.193 0.000 0.808 101 A HN 0.604 nan 8.150 nan 0.000 0.455 102 D N -0.366 120.089 120.400 0.091 0.000 2.328 102 D HA 0.078 4.718 4.640 -0.000 0.000 0.226 102 D C 0.292 176.643 176.300 0.086 0.000 1.066 102 D CA -0.244 53.812 54.000 0.093 0.000 0.861 102 D CB -0.481 40.407 40.800 0.147 0.000 0.912 102 D HN 0.415 nan 8.370 nan 0.000 0.521 103 I N 1.717 122.309 120.570 0.037 0.000 2.533 103 I HA -0.018 4.152 4.170 -0.000 0.000 0.284 103 I C 1.522 177.635 176.117 -0.007 0.000 1.109 103 I CA 0.259 61.571 61.300 0.021 0.000 1.412 103 I CB 1.257 39.214 38.000 -0.071 0.000 1.396 103 I HN -0.015 nan 8.210 nan 0.000 0.543 104 T N -0.901 113.671 114.554 0.030 0.000 3.054 104 T HA 0.065 4.415 4.350 -0.000 0.000 0.255 104 T C 0.836 175.554 174.700 0.030 0.000 1.035 104 T CA 0.215 62.323 62.100 0.013 0.000 0.941 104 T CB 0.014 68.876 68.868 -0.009 0.000 1.026 104 T HN 0.606 nan 8.240 nan 0.000 0.533 105 S N 0.196 115.935 115.700 0.065 0.000 2.754 105 S HA 0.414 4.884 4.470 -0.000 0.000 0.247 105 S C -0.241 174.404 174.600 0.074 0.000 1.031 105 S CA -0.862 57.415 58.200 0.129 0.000 1.014 105 S CB -0.708 62.633 63.200 0.234 0.000 0.918 105 S HN 0.355 nan 8.310 nan 0.000 0.519 106 F N 2.842 122.534 119.950 -0.431 0.000 2.471 106 F HA 0.603 5.130 4.527 -0.000 0.000 0.353 106 F C 0.715 176.177 175.800 -0.563 0.000 1.113 106 F CA 0.365 57.742 58.000 -1.038 0.000 1.262 106 F CB 0.472 38.946 39.000 -0.877 0.000 1.146 106 F HN 0.346 nan 8.300 nan 0.000 0.578 107 G N 5.028 113.070 108.800 -1.263 0.000 2.684 107 G HA2 0.413 4.373 3.960 -0.000 0.000 0.290 107 G HA3 0.413 4.373 3.960 -0.000 0.000 0.290 107 G C -2.706 171.791 174.900 -0.672 0.000 1.425 107 G CA -1.028 43.704 45.100 -0.614 0.000 0.822 107 G HN 0.310 nan 8.290 nan 0.000 0.482 108 P HA -0.073 nan 4.420 nan 0.000 0.216 108 P C 1.011 178.341 177.300 0.051 0.000 1.153 108 P CA 1.337 64.375 63.100 -0.104 0.000 0.848 108 P CB 0.228 31.901 31.700 -0.046 0.000 0.787 109 D N -0.705 119.742 120.400 0.078 0.000 2.632 109 D HA -0.246 4.394 4.640 -0.000 0.000 0.588 109 D C 1.515 177.969 176.300 0.255 0.000 0.941 109 D CA 2.110 56.217 54.000 0.179 0.000 1.653 109 D CB -1.381 39.615 40.800 0.327 0.000 0.356 109 D HN 0.142 nan 8.370 nan 0.000 0.482 110 W N 0.272 121.485 121.300 -0.144 0.000 2.358 110 W HA 0.082 4.742 4.660 -0.000 0.000 0.303 110 W C 2.708 179.348 176.519 0.202 0.000 1.208 110 W CA 0.371 57.717 57.345 0.001 0.000 1.274 110 W CB -0.980 28.322 29.460 -0.264 0.000 1.138 110 W HN 0.187 nan 8.180 nan 0.000 0.515 111 I N -0.457 120.239 120.570 0.209 0.000 2.202 111 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 111 I C 2.323 178.529 176.117 0.148 0.000 1.091 111 I CA 1.695 63.044 61.300 0.082 0.000 1.368 111 I CB -1.189 36.516 38.000 -0.492 0.000 1.058 111 I HN -0.135 nan 8.210 nan 0.000 0.410 112 T N 1.002 115.685 114.554 0.216 0.000 2.635 112 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 112 T C 1.908 176.737 174.700 0.215 0.000 1.040 112 T CA 1.618 63.880 62.100 0.270 0.000 1.156 112 T CB -0.277 68.748 68.868 0.263 0.000 0.863 112 T HN 0.295 nan 8.240 nan 0.000 0.430 113 K N 0.995 121.528 120.400 0.221 0.000 2.032 113 K HA -0.004 4.316 4.320 -0.000 0.000 0.209 113 K C 2.720 179.422 176.600 0.170 0.000 1.048 113 K CA 1.229 57.623 56.287 0.179 0.000 0.927 113 K CB -0.354 32.246 32.500 0.168 0.000 0.712 113 K HN 0.307 nan 8.250 nan 0.000 0.441 114 A N 1.814 124.787 122.820 0.256 0.000 1.877 114 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 114 A C 1.963 179.632 177.584 0.143 0.000 1.186 114 A CA 1.484 53.624 52.037 0.172 0.000 0.620 114 A CB -0.317 18.867 19.000 0.307 0.000 0.822 114 A HN 0.207 nan 8.150 nan 0.000 0.443 115 E N -0.082 120.242 120.200 0.206 0.000 2.153 115 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 115 E C 1.906 178.583 176.600 0.129 0.000 0.988 115 E CA 1.284 57.782 56.400 0.163 0.000 0.811 115 E CB -0.237 29.570 29.700 0.178 0.000 0.746 115 E HN 0.776 nan 8.360 nan 0.000 0.466 116 E N 0.744 121.015 120.200 0.119 0.000 2.046 116 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 116 E C 2.129 178.772 176.600 0.072 0.000 0.982 116 E CA 0.784 57.243 56.400 0.097 0.000 0.800 116 E CB -0.093 29.656 29.700 0.082 0.000 0.756 116 E HN 0.163 nan 8.360 nan 0.000 0.449 117 A N 1.671 124.476 122.820 -0.025 0.000 1.917 117 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 117 A C 2.401 180.096 177.584 0.186 0.000 1.182 117 A CA 1.887 53.864 52.037 -0.101 0.000 0.633 117 A CB -0.711 18.053 19.000 -0.392 0.000 0.819 117 A HN 0.301 nan 8.150 nan 0.000 0.448 118 A N -0.209 122.694 122.820 0.139 0.000 1.972 118 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 118 A C 1.739 179.414 177.584 0.152 0.000 1.169 118 A CA 1.876 54.007 52.037 0.156 0.000 0.635 118 A CB -0.548 18.509 19.000 0.095 0.000 0.810 118 A HN 0.470 nan 8.150 nan 0.000 0.446 119 D N -1.031 119.457 120.400 0.147 0.000 2.117 119 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 119 D C 1.494 177.871 176.300 0.128 0.000 0.987 119 D CA 0.919 54.994 54.000 0.124 0.000 0.829 119 D CB -0.463 40.411 40.800 0.124 0.000 0.961 119 D HN 0.443 nan 8.370 nan 0.000 0.460 120 F N 0.143 120.093 119.950 0.000 0.000 2.236 120 F HA -0.088 4.439 4.527 -0.000 0.000 0.302 120 F C 1.885 177.603 175.800 -0.138 0.000 1.073 120 F CA 1.818 59.791 58.000 -0.046 0.000 1.336 120 F CB 0.231 39.227 39.000 -0.006 0.000 1.040 120 F HN 0.156 nan 8.300 nan 0.000 0.507 121 G N -2.768 106.053 108.800 0.036 0.000 2.485 121 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.181 121 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.181 121 G C -0.051 174.796 174.900 -0.088 0.000 0.999 121 G CA -0.323 44.715 45.100 -0.104 0.000 0.721 121 G HN 0.208 nan 8.290 nan 0.000 0.486 122 Y N 0.809 121.166 120.300 0.094 0.000 2.457 122 Y HA 0.404 4.954 4.550 -0.000 0.000 0.341 122 Y C 1.862 177.793 175.900 0.053 0.000 1.240 122 Y CA 1.171 59.322 58.100 0.085 0.000 1.437 122 Y CB 1.147 39.673 38.460 0.110 0.000 1.328 122 Y HN 0.055 nan 8.280 nan 0.000 0.588 123 G N 1.732 110.650 108.800 0.197 0.000 2.539 123 G HA2 0.075 4.035 3.960 -0.000 0.000 0.215 123 G HA3 0.075 4.035 3.960 -0.000 0.000 0.215 123 G C -0.158 174.799 174.900 0.094 0.000 1.141 123 G CA 0.149 45.314 45.100 0.109 0.000 0.806 123 G HN 0.437 nan 8.290 nan 0.000 0.533 124 L N 1.355 122.652 121.223 0.124 0.000 2.470 124 L HA 0.585 4.924 4.340 -0.000 0.000 0.268 124 L C -1.629 175.274 176.870 0.054 0.000 0.964 124 L CA -0.495 54.379 54.840 0.056 0.000 0.839 124 L CB 2.284 44.357 42.059 0.022 0.000 1.276 124 L HN -0.166 nan 8.230 nan 0.000 0.403 125 V N 5.520 125.432 119.914 -0.003 0.000 2.409 125 V HA 0.543 4.663 4.120 -0.000 0.000 0.291 125 V C -0.153 175.873 176.094 -0.114 0.000 1.020 125 V CA -0.641 61.633 62.300 -0.043 0.000 0.848 125 V CB 1.904 33.697 31.823 -0.050 0.000 0.990 125 V HN 0.705 nan 8.190 nan 0.000 0.430 126 R N 3.837 124.267 120.500 -0.118 0.000 2.387 126 R HA 0.545 4.885 4.340 -0.000 0.000 0.314 126 R C -0.629 175.588 176.300 -0.138 0.000 0.958 126 R CA -0.757 55.295 56.100 -0.079 0.000 0.846 126 R CB 1.406 31.696 30.300 -0.016 0.000 1.147 126 R HN 0.709 nan 8.270 nan 0.000 0.447 127 H N 3.026 122.104 119.070 0.012 0.000 2.582 127 H HA 0.124 4.680 4.556 -0.000 0.000 0.345 127 H C -0.499 174.638 175.328 -0.318 0.000 1.104 127 H CA 0.118 56.059 56.048 -0.178 0.000 1.390 127 H CB 1.035 30.692 29.762 -0.176 0.000 1.461 127 H HN 0.597 nan 8.280 nan 0.000 0.551 128 Y N 0.882 120.814 120.300 -0.614 0.000 2.581 128 Y HA 0.607 5.157 4.550 -0.000 0.000 0.345 128 Y C -2.038 173.363 175.900 -0.832 0.000 1.036 128 Y CA -1.732 56.015 58.100 -0.588 0.000 1.042 128 Y CB 1.004 39.395 38.460 -0.116 0.000 1.289 128 Y HN 0.276 nan 8.280 nan 0.000 0.471 129 F N 1.599 121.525 119.950 -0.040 0.000 2.603 129 F HA 0.738 5.265 4.527 -0.000 0.000 0.317 129 F C -2.430 173.398 175.800 0.048 0.000 1.066 129 F CA -2.532 55.349 58.000 -0.199 0.000 0.941 129 F CB 1.872 40.843 39.000 -0.049 0.000 1.291 129 F HN 0.332 nan 8.300 nan 0.000 0.472 130 P HA 0.252 nan 4.420 nan 0.000 0.272 130 P C -0.888 176.602 177.300 0.317 0.000 1.223 130 P CA -0.281 63.012 63.100 0.322 0.000 0.784 130 P CB 0.919 32.738 31.700 0.199 0.000 0.923 131 R N 0.325 121.050 120.500 0.376 0.000 2.725 131 R HA 0.664 5.004 4.340 -0.000 0.000 0.277 131 R C -0.444 176.098 176.300 0.403 0.000 0.987 131 R CA -1.112 55.210 56.100 0.370 0.000 0.901 131 R CB 1.790 32.346 30.300 0.427 0.000 1.207 131 R HN 0.556 nan 8.270 nan 0.000 0.463 132 A N 0.722 123.724 122.820 0.302 0.000 2.371 132 A HA 0.239 4.559 4.320 -0.000 0.000 0.257 132 A C 1.245 179.024 177.584 0.324 0.000 1.089 132 A CA 0.232 52.449 52.037 0.299 0.000 0.794 132 A CB 0.353 19.464 19.000 0.185 0.000 1.029 132 A HN 0.847 nan 8.150 nan 0.000 0.488 133 S N 0.557 116.446 115.700 0.315 0.000 2.442 133 S HA -0.154 4.316 4.470 -0.000 0.000 0.236 133 S C 1.231 175.983 174.600 0.254 0.000 1.007 133 S CA 1.785 60.105 58.200 0.200 0.000 0.965 133 S CB -0.778 62.485 63.200 0.105 0.000 0.773 133 S HN 1.266 nan 8.310 nan 0.000 0.504 134 T N -1.472 113.222 114.554 0.235 0.000 3.145 134 T HA 0.271 4.621 4.350 -0.000 0.000 0.255 134 T C -0.155 174.728 174.700 0.305 0.000 1.039 134 T CA -0.590 61.690 62.100 0.299 0.000 0.928 134 T CB -0.193 68.823 68.868 0.248 0.000 1.029 134 T HN 0.141 nan 8.240 nan 0.000 0.554 135 D N 1.704 122.278 120.400 0.290 0.000 2.383 135 D HA 0.524 5.164 4.640 -0.000 0.000 0.248 135 D C 0.953 177.451 176.300 0.330 0.000 1.170 135 D CA 0.446 54.638 54.000 0.321 0.000 0.977 135 D CB 0.876 41.869 40.800 0.322 0.000 1.120 135 D HN 0.344 nan 8.370 nan 0.000 0.481 136 A N 0.928 123.949 122.820 0.336 0.000 2.791 136 A HA -0.211 4.108 4.320 -0.000 0.000 0.292 136 A C 1.367 179.159 177.584 0.346 0.000 1.487 136 A CA 0.664 52.898 52.037 0.329 0.000 0.760 136 A CB -1.650 17.591 19.000 0.402 0.000 1.031 136 A HN 0.434 nan 8.150 nan 0.000 0.503 137 M N -1.189 118.580 119.600 0.282 0.000 2.419 137 M HA 0.054 4.534 4.480 -0.000 0.000 0.264 137 M C 2.005 178.575 176.300 0.450 0.000 1.082 137 M CA 1.484 56.954 55.300 0.283 0.000 1.119 137 M CB -0.789 31.876 32.600 0.109 0.000 1.398 137 M HN 0.722 nan 8.290 nan 0.000 0.453 138 I N -0.446 120.307 120.570 0.306 0.000 2.233 138 I HA -0.230 3.940 4.170 -0.000 0.000 0.243 138 I C 2.284 178.430 176.117 0.047 0.000 1.093 138 I CA 1.143 62.475 61.300 0.054 0.000 1.380 138 I CB -0.844 37.035 38.000 -0.202 0.000 1.067 138 I HN 0.214 nan 8.210 nan 0.000 0.413 139 T N 0.247 114.811 114.554 0.017 0.000 2.597 139 T HA -0.258 4.092 4.350 -0.000 0.000 0.267 139 T C 1.463 176.051 174.700 -0.188 0.000 1.053 139 T CA 2.174 64.201 62.100 -0.122 0.000 1.165 139 T CB -0.494 68.275 68.868 -0.164 0.000 0.863 139 T HN 0.383 nan 8.240 nan 0.000 0.427 140 W N 0.636 121.938 121.300 0.002 0.000 2.378 140 W HA 0.057 4.716 4.660 -0.000 0.000 0.313 140 W C 2.425 178.967 176.519 0.039 0.000 1.197 140 W CA 0.437 57.757 57.345 -0.040 0.000 1.304 140 W CB -0.234 29.140 29.460 -0.145 0.000 1.148 140 W HN 0.135 nan 8.180 nan 0.000 0.494 141 M N -1.066 118.744 119.600 0.350 0.000 2.541 141 M HA 0.138 4.618 4.480 -0.000 0.000 0.252 141 M C 1.381 178.064 176.300 0.637 0.000 1.125 141 M CA 1.165 56.712 55.300 0.411 0.000 1.091 141 M CB -0.735 31.974 32.600 0.181 0.000 1.420 141 M HN 0.164 nan 8.290 nan 0.000 0.486 142 I N -1.341 119.464 120.570 0.391 0.000 3.739 142 I HA -0.034 4.136 4.170 -0.000 0.000 0.272 142 I C 1.936 178.129 176.117 0.126 0.000 1.167 142 I CA 0.516 62.055 61.300 0.399 0.000 1.386 142 I CB 0.090 38.220 38.000 0.217 0.000 1.490 142 I HN 0.058 nan 8.210 nan 0.000 0.452 143 T N 1.012 115.514 114.554 -0.087 0.000 2.698 143 T HA -0.063 4.287 4.350 -0.000 0.000 0.260 143 T C 1.949 176.347 174.700 -0.504 0.000 1.044 143 T CA 1.201 63.069 62.100 -0.386 0.000 1.149 143 T CB -0.215 68.434 68.868 -0.365 0.000 0.864 143 T HN 0.158 nan 8.240 nan 0.000 0.419 144 R N 0.558 120.893 120.500 -0.275 0.000 2.090 144 R HA 0.002 4.342 4.340 -0.000 0.000 0.228 144 R C 2.760 179.031 176.300 -0.048 0.000 1.110 144 R CA 1.275 57.277 56.100 -0.163 0.000 0.973 144 R CB -0.666 29.456 30.300 -0.296 0.000 0.869 144 R HN 0.291 nan 8.270 nan 0.000 0.440 145 T N 0.264 114.808 114.554 -0.016 0.000 2.652 145 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 145 T C 1.903 176.373 174.700 -0.384 0.000 1.039 145 T CA 1.670 63.748 62.100 -0.037 0.000 1.153 145 T CB -0.594 68.322 68.868 0.079 0.000 0.863 145 T HN 0.531 nan 8.240 nan 0.000 0.428 146 G N 1.143 109.636 108.800 -0.512 0.000 2.529 146 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 146 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 146 G C 1.272 176.158 174.900 -0.024 0.000 1.177 146 G CA 0.794 45.631 45.100 -0.439 0.000 0.773 146 G HN 0.404 nan 8.290 nan 0.000 0.573 147 F N 1.898 121.906 119.950 0.098 0.000 2.161 147 F HA -0.015 4.512 4.527 -0.000 0.000 0.300 147 F C 3.019 178.915 175.800 0.160 0.000 1.089 147 F CA 0.327 58.502 58.000 0.291 0.000 1.282 147 F CB -1.034 38.081 39.000 0.193 0.000 1.010 147 F HN 0.285 nan 8.300 nan 0.000 0.485 148 A N -0.098 122.844 122.820 0.203 0.000 1.898 148 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 148 A C 2.311 179.909 177.584 0.024 0.000 1.181 148 A CA 1.178 53.279 52.037 0.107 0.000 0.620 148 A CB -0.972 18.091 19.000 0.106 0.000 0.819 148 A HN 0.365 nan 8.150 nan 0.000 0.442 149 L N -0.990 120.159 121.223 -0.124 0.000 2.240 149 L HA -0.016 4.324 4.340 -0.000 0.000 0.211 149 L C 2.162 178.902 176.870 -0.217 0.000 1.106 149 L CA 0.632 55.343 54.840 -0.214 0.000 0.793 149 L CB -0.215 41.554 42.059 -0.483 0.000 0.927 149 L HN 0.342 nan 8.230 nan 0.000 0.446 150 L N -2.385 118.647 121.223 -0.319 0.000 2.408 150 L HA 0.044 4.384 4.340 -0.000 0.000 0.215 150 L C 0.488 176.833 176.870 -0.876 0.000 1.081 150 L CA 0.137 54.516 54.840 -0.769 0.000 0.840 150 L CB 0.186 41.385 42.059 -1.433 0.000 1.002 150 L HN 0.301 nan 8.230 nan 0.000 0.468 151 W N 0.750 122.123 121.300 0.122 0.000 1.590 151 W HA 0.289 4.949 4.660 -0.000 0.000 0.299 151 W C -1.963 174.614 176.519 0.095 0.000 0.872 151 W CA -1.243 56.174 57.345 0.120 0.000 1.961 151 W CB 0.060 29.590 29.460 0.116 0.000 2.140 151 W HN -0.060 nan 8.180 nan 0.000 0.433 152 P HA -0.209 nan 4.420 nan 0.000 0.218 152 P C 0.897 178.219 177.300 0.038 0.000 1.148 152 P CA 1.751 64.879 63.100 0.046 0.000 0.822 152 P CB 0.237 31.862 31.700 -0.125 0.000 0.784 153 H N -0.544 118.650 119.070 0.206 0.000 2.524 153 H HA 0.156 4.712 4.556 -0.000 0.000 0.280 153 H C 0.981 176.413 175.328 0.173 0.000 1.018 153 H CA 0.542 56.698 56.048 0.180 0.000 1.165 153 H CB 0.006 29.845 29.762 0.129 0.000 1.411 153 H HN 0.253 nan 8.280 nan 0.000 0.569 154 T N -2.530 112.194 114.554 0.284 0.000 2.937 154 T HA 0.173 4.523 4.350 -0.000 0.000 0.283 154 T C 1.202 176.027 174.700 0.208 0.000 1.012 154 T CA -0.743 61.461 62.100 0.174 0.000 0.997 154 T CB 2.412 71.320 68.868 0.066 0.000 1.136 154 T HN -0.134 nan 8.240 nan 0.000 0.551 155 E N -0.092 120.153 120.200 0.075 0.000 2.268 155 E HA 0.057 4.407 4.350 -0.000 0.000 0.195 155 E C 1.857 178.492 176.600 0.058 0.000 0.995 155 E CA 0.638 57.090 56.400 0.086 0.000 0.836 155 E CB -0.855 28.782 29.700 -0.105 0.000 0.763 155 E HN 0.672 nan 8.360 nan 0.000 0.491 156 L N 0.240 121.385 121.223 -0.129 0.000 2.010 156 L HA -0.336 4.004 4.340 -0.000 0.000 0.219 156 L C 2.340 179.181 176.870 -0.049 0.000 1.077 156 L CA 1.999 56.624 54.840 -0.359 0.000 0.773 156 L CB -0.810 40.807 42.059 -0.737 0.000 0.892 156 L HN 0.244 nan 8.230 nan 0.000 0.436 157 S N -2.240 113.533 115.700 0.121 0.000 2.522 157 S HA -0.119 4.351 4.470 -0.000 0.000 0.227 157 S C 1.350 175.928 174.600 -0.037 0.000 0.986 157 S CA 0.013 58.278 58.200 0.110 0.000 0.929 157 S CB -0.567 62.649 63.200 0.027 0.000 0.769 157 S HN 0.493 nan 8.310 nan 0.000 0.529 158 W N 1.043 122.380 121.300 0.061 0.000 2.770 158 W HA 0.451 5.110 4.660 -0.000 0.000 0.256 158 W C 0.044 176.608 176.519 0.075 0.000 1.291 158 W CA -1.022 56.384 57.345 0.102 0.000 1.396 158 W CB -0.325 29.225 29.460 0.151 0.000 1.114 158 W HN 0.132 nan 8.180 nan 0.000 0.637 159 I N 2.302 122.945 120.570 0.121 0.000 2.742 159 I HA -0.150 4.020 4.170 -0.000 0.000 0.287 159 I C 1.701 177.817 176.117 -0.002 0.000 1.186 159 I CA 0.392 61.694 61.300 0.004 0.000 1.417 159 I CB 0.571 38.528 38.000 -0.072 0.000 1.377 159 I HN 0.000 nan 8.210 nan 0.000 0.556 160 E N 4.524 124.690 120.200 -0.057 0.000 2.051 160 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 160 E C 0.339 176.888 176.600 -0.086 0.000 0.991 160 E CA 1.492 57.833 56.400 -0.098 0.000 0.799 160 E CB -0.002 29.507 29.700 -0.318 0.000 0.748 160 E HN 0.628 nan 8.360 nan 0.000 0.449 161 Q N 0.015 119.801 119.800 -0.024 0.000 3.122 161 Q HA 0.147 4.487 4.340 -0.000 0.000 0.282 161 Q C -2.030 173.999 176.000 0.048 0.000 0.947 161 Q CA -1.220 54.603 55.803 0.034 0.000 0.812 161 Q CB 1.641 30.485 28.738 0.176 0.000 1.333 161 Q HN 0.027 nan 8.270 nan 0.000 0.430 162 P HA -0.138 nan 4.420 nan 0.000 0.228 162 P C 0.540 177.892 177.300 0.086 0.000 1.151 162 P CA 0.961 64.122 63.100 0.102 0.000 0.770 162 P CB 0.350 32.181 31.700 0.218 0.000 0.786 163 L N -1.332 119.919 121.223 0.047 0.000 2.628 163 L HA 0.288 4.628 4.340 -0.000 0.000 0.229 163 L C 1.341 178.269 176.870 0.097 0.000 1.137 163 L CA -0.403 54.466 54.840 0.048 0.000 0.909 163 L CB -0.568 41.491 42.059 0.001 0.000 1.137 163 L HN -0.112 nan 8.230 nan 0.000 0.470 164 G N 0.073 108.955 108.800 0.138 0.000 2.343 164 G HA2 0.259 4.218 3.960 -0.000 0.000 0.254 164 G HA3 0.259 4.218 3.960 -0.000 0.000 0.254 164 G C 1.001 176.022 174.900 0.201 0.000 1.277 164 G CA 0.102 45.330 45.100 0.213 0.000 0.909 164 G HN 0.301 nan 8.290 nan 0.000 0.502 165 G N 1.561 110.493 108.800 0.221 0.000 2.848 165 G HA2 0.130 4.090 3.960 -0.000 0.000 0.208 165 G HA3 0.130 4.090 3.960 -0.000 0.000 0.208 165 G C 0.376 175.418 174.900 0.237 0.000 1.152 165 G CA 0.022 45.239 45.100 0.195 0.000 0.789 165 G HN 0.546 nan 8.290 nan 0.000 0.531 166 E N 0.215 120.618 120.200 0.337 0.000 2.081 166 E HA 0.568 4.918 4.350 -0.000 0.000 0.276 166 E C -0.464 176.370 176.600 0.391 0.000 0.950 166 E CA -0.453 56.169 56.400 0.370 0.000 0.776 166 E CB 1.516 31.630 29.700 0.689 0.000 1.094 166 E HN 0.257 nan 8.360 nan 0.000 0.402 167 L N 0.225 121.566 121.223 0.196 0.000 2.775 167 L HA 0.614 4.954 4.340 -0.000 0.000 0.263 167 L C -1.538 175.331 176.870 -0.001 0.000 1.017 167 L CA -1.033 53.888 54.840 0.135 0.000 0.891 167 L CB 0.966 43.079 42.059 0.091 0.000 1.482 167 L HN 0.431 nan 8.230 nan 0.000 0.410 168 L N 1.527 122.695 121.223 -0.092 0.000 2.356 168 L HA 0.820 5.160 4.340 -0.000 0.000 0.277 168 L C -1.179 175.610 176.870 -0.136 0.000 0.996 168 L CA -0.475 54.212 54.840 -0.254 0.000 0.822 168 L CB 1.695 43.503 42.059 -0.417 0.000 1.256 168 L HN 0.826 nan 8.230 nan 0.000 0.413 169 M N 4.816 124.339 119.600 -0.130 0.000 2.578 169 M HA 0.574 5.054 4.480 -0.000 0.000 0.321 169 M C -0.433 175.855 176.300 -0.020 0.000 1.182 169 M CA -0.718 54.546 55.300 -0.059 0.000 0.965 169 M CB 1.825 34.398 32.600 -0.045 0.000 1.694 169 M HN 0.499 nan 8.290 nan 0.000 0.461 170 R N 0.866 121.397 120.500 0.052 0.000 2.528 170 R HA 0.448 4.788 4.340 -0.000 0.000 0.271 170 R C 0.614 177.032 176.300 0.198 0.000 1.056 170 R CA -0.805 55.370 56.100 0.124 0.000 1.117 170 R CB 1.146 31.508 30.300 0.103 0.000 1.085 170 R HN 0.831 nan 8.270 nan 0.000 0.530 171 R N 1.100 121.772 120.500 0.287 0.000 2.154 171 R HA -0.270 4.070 4.340 -0.000 0.000 0.236 171 R C 2.057 178.449 176.300 0.154 0.000 1.121 171 R CA 2.623 58.892 56.100 0.282 0.000 0.915 171 R CB -0.458 29.895 30.300 0.089 0.000 0.856 171 R HN 0.915 nan 8.270 nan 0.000 0.431 172 E N 0.533 120.780 120.200 0.078 0.000 2.114 172 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 172 E C 1.976 178.612 176.600 0.060 0.000 1.008 172 E CA 2.038 58.468 56.400 0.049 0.000 0.810 172 E CB -0.835 28.881 29.700 0.027 0.000 0.739 172 E HN 0.374 nan 8.360 nan 0.000 0.456 173 V N 2.188 122.140 119.914 0.064 0.000 2.324 173 V HA -0.291 3.829 4.120 -0.000 0.000 0.250 173 V C 2.794 178.925 176.094 0.061 0.000 1.060 173 V CA 2.357 64.684 62.300 0.046 0.000 1.042 173 V CB -1.010 30.830 31.823 0.028 0.000 0.650 173 V HN 0.523 nan 8.190 nan 0.000 0.450 174 A N -0.353 122.541 122.820 0.123 0.000 1.968 174 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 174 A C 2.400 180.094 177.584 0.183 0.000 1.169 174 A CA 1.596 53.736 52.037 0.171 0.000 0.638 174 A CB -0.638 18.584 19.000 0.369 0.000 0.812 174 A HN 0.571 nan 8.150 nan 0.000 0.446 175 A N -0.825 122.075 122.820 0.133 0.000 1.972 175 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 175 A C 2.169 179.817 177.584 0.105 0.000 1.169 175 A CA 1.826 53.914 52.037 0.084 0.000 0.635 175 A CB -0.467 18.547 19.000 0.024 0.000 0.810 175 A HN 0.512 nan 8.150 nan 0.000 0.446 176 M N -0.716 118.937 119.600 0.089 0.000 2.193 176 M HA -0.006 4.474 4.480 -0.000 0.000 0.265 176 M C 1.870 178.231 176.300 0.103 0.000 1.071 176 M CA 1.470 56.814 55.300 0.074 0.000 1.140 176 M CB -0.489 32.138 32.600 0.044 0.000 1.369 176 M HN 0.430 nan 8.290 nan 0.000 0.423 177 L N -1.568 119.726 121.223 0.119 0.000 2.049 177 L HA -0.184 4.156 4.340 -0.000 0.000 0.203 177 L C 2.376 179.364 176.870 0.197 0.000 1.074 177 L CA 1.113 56.041 54.840 0.146 0.000 0.749 177 L CB -1.271 40.867 42.059 0.133 0.000 0.907 177 L HN 0.212 nan 8.230 nan 0.000 0.439 178 Y N 0.677 121.041 120.300 0.107 0.000 2.405 178 Y HA -0.350 4.200 4.550 -0.000 0.000 0.282 178 Y C 2.255 178.205 175.900 0.083 0.000 1.182 178 Y CA 1.645 59.813 58.100 0.113 0.000 1.312 178 Y CB 0.160 38.688 38.460 0.113 0.000 0.971 178 Y HN 0.250 nan 8.280 nan 0.000 0.560 179 E N -0.339 120.038 120.200 0.295 0.000 2.485 179 E HA 0.049 4.399 4.350 -0.000 0.000 0.213 179 E C -0.334 176.342 176.600 0.126 0.000 0.923 179 E CA -0.041 56.490 56.400 0.218 0.000 1.054 179 E CB 0.262 30.059 29.700 0.160 0.000 1.077 179 E HN 0.279 nan 8.360 nan 0.000 0.509 180 D N 0.654 121.121 120.400 0.111 0.000 2.401 180 D HA -0.064 4.576 4.640 -0.000 0.000 0.254 180 D C 1.013 177.349 176.300 0.060 0.000 1.192 180 D CA 0.242 54.291 54.000 0.082 0.000 0.885 180 D CB 1.006 41.860 40.800 0.089 0.000 1.147 180 D HN 0.210 nan 8.370 nan 0.000 0.478 181 E N 3.089 123.316 120.200 0.045 0.000 2.208 181 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 181 E C 1.548 178.153 176.600 0.009 0.000 0.988 181 E CA 0.756 57.169 56.400 0.021 0.000 0.828 181 E CB 0.120 29.833 29.700 0.022 0.000 0.763 181 E HN 0.346 nan 8.360 nan 0.000 0.478 182 R N 0.631 121.144 120.500 0.022 0.000 2.094 182 R HA -0.142 4.198 4.340 -0.000 0.000 0.239 182 R C 2.644 178.944 176.300 0.001 0.000 1.137 182 R CA 1.728 57.834 56.100 0.010 0.000 0.943 182 R CB -0.913 29.404 30.300 0.028 0.000 0.850 182 R HN 0.318 nan 8.270 nan 0.000 0.433 183 V N 0.459 120.391 119.914 0.030 0.000 2.453 183 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 183 V C 2.227 178.306 176.094 -0.025 0.000 1.048 183 V CA 1.733 64.049 62.300 0.027 0.000 1.049 183 V CB -0.259 31.650 31.823 0.143 0.000 0.672 183 V HN 0.171 nan 8.190 nan 0.000 0.457 184 R N 2.097 122.572 120.500 -0.042 0.000 2.094 184 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 184 R C 2.526 178.770 176.300 -0.093 0.000 1.137 184 R CA 2.659 58.692 56.100 -0.112 0.000 0.943 184 R CB -0.790 29.437 30.300 -0.122 0.000 0.850 184 R HN 0.764 nan 8.270 nan 0.000 0.433 185 R N -0.913 119.549 120.500 -0.064 0.000 2.276 185 R HA 0.095 4.435 4.340 -0.000 0.000 0.203 185 R C 0.704 176.963 176.300 -0.067 0.000 1.017 185 R CA 0.471 56.536 56.100 -0.059 0.000 1.010 185 R CB -0.167 30.109 30.300 -0.040 0.000 0.900 185 R HN -0.125 nan 8.270 nan 0.000 0.469 186 R N 2.050 122.502 120.500 -0.081 0.000 4.576 186 R HA 0.044 4.384 4.340 -0.000 0.000 0.185 186 R C 0.769 176.996 176.300 -0.121 0.000 1.837 186 R CA 0.247 56.289 56.100 -0.097 0.000 1.520 186 R CB -0.183 30.048 30.300 -0.115 0.000 1.403 186 R HN 0.491 nan 8.270 nan 0.000 0.831 187 S N -1.039 114.599 115.700 -0.103 0.000 2.423 187 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 187 S C 0.907 175.420 174.600 -0.144 0.000 1.014 187 S CA 0.910 59.044 58.200 -0.111 0.000 0.965 187 S CB -0.270 62.880 63.200 -0.085 0.000 0.785 187 S HN 0.591 nan 8.310 nan 0.000 0.495 188 D N -0.133 120.187 120.400 -0.133 0.000 2.360 188 D HA 0.090 4.730 4.640 -0.000 0.000 0.289 188 D C 0.842 177.039 176.300 -0.171 0.000 1.183 188 D CA -0.658 53.227 54.000 -0.192 0.000 1.082 188 D CB -0.842 39.896 40.800 -0.103 0.000 1.146 188 D HN 0.337 nan 8.370 nan 0.000 0.545 189 W N -0.552 120.699 121.300 -0.082 0.000 2.611 189 W HA 0.205 4.865 4.660 -0.000 0.000 0.251 189 W C 2.228 178.676 176.519 -0.118 0.000 1.265 189 W CA 0.266 57.556 57.345 -0.092 0.000 1.295 189 W CB 0.021 29.433 29.460 -0.081 0.000 1.129 189 W HN 0.518 nan 8.180 nan 0.000 0.630 190 G N 0.288 109.135 108.800 0.078 0.000 2.708 190 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.210 190 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.210 190 G C 1.212 176.057 174.900 -0.091 0.000 1.141 190 G CA 0.435 45.528 45.100 -0.011 0.000 0.788 190 G HN 0.219 nan 8.290 nan 0.000 0.531 191 I N 0.822 121.300 120.570 -0.154 0.000 2.233 191 I HA -0.051 4.119 4.170 -0.000 0.000 0.243 191 I C 1.848 177.674 176.117 -0.484 0.000 1.093 191 I CA 1.083 62.146 61.300 -0.394 0.000 1.380 191 I CB -0.158 37.538 38.000 -0.508 0.000 1.067 191 I HN 0.075 nan 8.210 nan 0.000 0.413 192 D N -0.265 119.973 120.400 -0.270 0.000 2.218 192 D HA -0.155 4.485 4.640 -0.000 0.000 0.204 192 D C 1.966 178.253 176.300 -0.022 0.000 0.976 192 D CA 1.674 55.588 54.000 -0.144 0.000 0.853 192 D CB -0.174 40.621 40.800 -0.008 0.000 0.939 192 D HN 0.387 nan 8.370 nan 0.000 0.481 193 T N 1.766 116.302 114.554 -0.030 0.000 2.737 193 T HA -0.084 4.266 4.350 -0.000 0.000 0.265 193 T C 2.073 176.854 174.700 0.135 0.000 1.038 193 T CA 0.306 62.445 62.100 0.064 0.000 1.144 193 T CB -0.063 68.800 68.868 -0.007 0.000 0.866 193 T HN 0.066 nan 8.240 nan 0.000 0.434 194 L N 0.166 121.399 121.223 0.017 0.000 2.017 194 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 194 L C 2.521 179.498 176.870 0.178 0.000 1.073 194 L CA 1.997 56.877 54.840 0.067 0.000 0.745 194 L CB -1.328 40.712 42.059 -0.033 0.000 0.894 194 L HN 0.307 nan 8.230 nan 0.000 0.432 195 Y N 0.585 120.908 120.300 0.038 0.000 2.114 195 Y HA -0.244 4.306 4.550 -0.000 0.000 0.282 195 Y C 2.907 178.817 175.900 0.016 0.000 1.165 195 Y CA 1.432 59.539 58.100 0.012 0.000 1.148 195 Y CB -1.689 36.752 38.460 -0.031 0.000 0.972 195 Y HN 0.204 nan 8.280 nan 0.000 0.504 196 T N 0.331 115.019 114.554 0.223 0.000 2.788 196 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 196 T C 1.722 176.425 174.700 0.004 0.000 1.044 196 T CA 1.295 63.462 62.100 0.111 0.000 1.139 196 T CB -0.652 68.312 68.868 0.159 0.000 0.867 196 T HN 0.315 nan 8.240 nan 0.000 0.454 197 F N 1.682 121.600 119.950 -0.053 0.000 2.060 197 F HA -0.089 4.438 4.527 -0.000 0.000 0.295 197 F C 2.425 178.102 175.800 -0.205 0.000 1.120 197 F CA 1.392 59.264 58.000 -0.214 0.000 1.205 197 F CB -0.551 38.355 39.000 -0.156 0.000 0.986 197 F HN -0.000 nan 8.300 nan 0.000 0.470 198 V N -0.114 119.815 119.914 0.025 0.000 2.453 198 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 198 V C 2.304 178.309 176.094 -0.148 0.000 1.048 198 V CA 2.536 64.794 62.300 -0.068 0.000 1.049 198 V CB -1.334 30.556 31.823 0.112 0.000 0.672 198 V HN 0.649 nan 8.190 nan 0.000 0.457 199 T N -0.762 113.737 114.554 -0.091 0.000 2.665 199 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 199 T C 1.845 176.434 174.700 -0.184 0.000 1.035 199 T CA 2.257 64.295 62.100 -0.103 0.000 1.151 199 T CB -1.188 67.642 68.868 -0.063 0.000 0.862 199 T HN 0.414 nan 8.240 nan 0.000 0.438 200 V N 1.963 121.702 119.914 -0.291 0.000 2.358 200 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 200 V C 2.932 178.779 176.094 -0.411 0.000 1.047 200 V CA 2.062 64.145 62.300 -0.361 0.000 1.035 200 V CB -0.986 30.547 31.823 -0.484 0.000 0.658 200 V HN 0.574 nan 8.190 nan 0.000 0.452 201 Q N -0.443 119.010 119.800 -0.579 0.000 2.170 201 Q HA -0.202 4.138 4.340 -0.000 0.000 0.203 201 Q C 1.989 177.829 176.000 -0.267 0.000 0.976 201 Q CA 1.153 56.638 55.803 -0.529 0.000 0.858 201 Q CB 0.044 28.368 28.738 -0.690 0.000 0.907 201 Q HN 0.568 nan 8.270 nan 0.000 0.433 202 Q N -0.918 118.762 119.800 -0.199 0.000 2.365 202 Q HA 0.081 4.421 4.340 -0.000 0.000 0.203 202 Q C 0.688 176.633 176.000 -0.091 0.000 0.929 202 Q CA 0.708 56.445 55.803 -0.110 0.000 0.948 202 Q CB 0.784 29.478 28.738 -0.072 0.000 1.043 202 Q HN 0.586 nan 8.270 nan 0.000 0.505 203 G N 1.043 109.774 108.800 -0.115 0.000 2.203 203 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.263 203 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.263 203 G C 0.349 175.220 174.900 -0.048 0.000 1.012 203 G CA 0.345 45.398 45.100 -0.079 0.000 0.749 203 G HN 0.263 nan 8.290 nan 0.000 0.512 204 V N 1.340 121.224 119.914 -0.051 0.000 2.617 204 V HA 0.323 4.443 4.120 -0.000 0.000 0.304 204 V C 1.426 177.533 176.094 0.020 0.000 1.040 204 V CA 0.546 62.838 62.300 -0.013 0.000 1.149 204 V CB 1.085 32.899 31.823 -0.015 0.000 0.914 204 V HN 1.084 nan 8.190 nan 0.000 0.487 205 S N 6.524 122.262 115.700 0.063 0.000 2.528 205 S HA 0.570 5.040 4.470 -0.000 0.000 0.277 205 S C -0.644 174.122 174.600 0.277 0.000 1.297 205 S CA -0.565 57.725 58.200 0.150 0.000 1.052 205 S CB 0.249 63.518 63.200 0.115 0.000 0.917 205 S HN 0.477 nan 8.310 nan 0.000 0.492 206 I N 3.497 124.248 120.570 0.302 0.000 2.433 206 I HA 0.378 4.548 4.170 -0.000 0.000 0.292 206 I C -0.987 175.229 176.117 0.164 0.000 1.001 206 I CA -0.918 60.516 61.300 0.223 0.000 1.119 206 I CB 1.641 39.694 38.000 0.089 0.000 1.289 206 I HN 0.744 nan 8.210 nan 0.000 0.438 207 Y N 5.418 125.531 120.300 -0.312 0.000 2.352 207 Y HA 0.418 4.968 4.550 -0.000 0.000 0.339 207 Y C -0.464 175.258 175.900 -0.297 0.000 0.992 207 Y CA -0.555 57.163 58.100 -0.637 0.000 1.100 207 Y CB 1.363 38.977 38.460 -1.409 0.000 1.192 207 Y HN 0.498 nan 8.280 nan 0.000 0.458 208 E N 5.163 124.909 120.200 -0.757 0.000 2.156 208 E HA 0.316 4.666 4.350 -0.000 0.000 0.279 208 E C -1.320 174.928 176.600 -0.586 0.000 0.965 208 E CA -0.699 55.398 56.400 -0.505 0.000 0.789 208 E CB 1.540 30.996 29.700 -0.406 0.000 1.098 208 E HN 0.555 nan 8.360 nan 0.000 0.397 209 C N 4.383 123.571 119.300 -0.187 0.000 2.303 209 C HA 0.313 4.773 4.460 -0.000 0.000 0.326 209 C C -0.764 174.226 174.990 0.001 0.000 1.285 209 C CA -0.564 58.422 59.018 -0.053 0.000 1.675 209 C CB -0.406 27.256 27.740 -0.129 0.000 2.289 209 C HN 0.750 nan 8.230 nan 0.000 0.512 210 Y N 6.083 126.281 120.300 -0.169 0.000 2.367 210 Y HA 0.600 5.150 4.550 -0.000 0.000 0.342 210 Y C -0.240 175.408 175.900 -0.421 0.000 0.979 210 Y CA -0.684 57.118 58.100 -0.498 0.000 1.161 210 Y CB 0.319 38.536 38.460 -0.404 0.000 1.155 210 Y HN 0.614 nan 8.280 nan 0.000 0.503 211 I N 10.575 130.500 120.570 -1.076 0.000 2.291 211 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 211 I C -1.532 173.991 176.117 -0.991 0.000 1.064 211 I CA -2.390 58.368 61.300 -0.902 0.000 1.269 211 I CB 1.300 38.731 38.000 -0.949 0.000 1.418 211 I HN 0.537 nan 8.210 nan 0.000 0.485 212 P HA -0.171 nan 4.420 nan 0.000 0.217 212 P C 0.955 178.087 177.300 -0.279 0.000 1.151 212 P CA 1.156 63.893 63.100 -0.604 0.000 0.828 212 P CB 0.091 31.525 31.700 -0.444 0.000 0.788 213 E N 0.756 120.872 120.200 -0.140 0.000 2.472 213 E HA 0.040 4.390 4.350 -0.000 0.000 0.200 213 E C 0.977 177.630 176.600 0.090 0.000 1.046 213 E CA 0.924 57.344 56.400 0.033 0.000 0.871 213 E CB -0.974 28.795 29.700 0.115 0.000 0.806 213 E HN 0.205 nan 8.360 nan 0.000 0.533 214 G N 1.509 110.334 108.800 0.042 0.000 2.795 214 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.664 214 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.664 214 G C -0.958 173.965 174.900 0.038 0.000 1.381 214 G CA -0.103 45.055 45.100 0.097 0.000 0.853 214 G HN 0.293 nan 8.290 nan 0.000 0.545 215 K N 0.444 120.672 120.400 -0.287 0.000 2.354 215 K HA 0.642 4.962 4.320 -0.000 0.000 0.257 215 K C 0.402 177.021 176.600 0.031 0.000 1.062 215 K CA 0.028 56.102 56.287 -0.355 0.000 0.971 215 K CB 0.311 32.097 32.500 -1.189 0.000 1.305 215 K HN 1.282 nan 8.250 nan 0.000 0.449 216 A N 4.581 127.465 122.820 0.106 0.000 2.310 216 A HA 0.319 4.639 4.320 -0.000 0.000 0.300 216 A C -0.745 176.900 177.584 0.102 0.000 1.269 216 A CA -0.240 51.842 52.037 0.075 0.000 0.909 216 A CB -0.350 18.687 19.000 0.062 0.000 1.144 216 A HN 1.000 nan 8.150 nan 0.000 0.540 217 H N 0.244 119.296 119.070 -0.029 0.000 2.959 217 H HA 0.716 5.272 4.556 -0.000 0.000 0.296 217 H C -0.091 175.196 175.328 -0.068 0.000 1.421 217 H CA -1.194 54.836 56.048 -0.029 0.000 1.206 217 H CB 0.453 30.208 29.762 -0.012 0.000 1.891 217 H HN 0.530 nan 8.280 nan 0.000 0.573 218 R N 0.699 121.188 120.500 -0.018 0.000 2.500 218 R HA 0.074 4.414 4.340 -0.000 0.000 0.281 218 R C -0.678 175.348 176.300 -0.456 0.000 0.953 218 R CA 0.320 56.351 56.100 -0.116 0.000 1.108 218 R CB -0.099 30.230 30.300 0.048 0.000 0.901 218 R HN 0.500 nan 8.270 nan 0.000 0.410 219 L N 4.399 125.393 121.223 -0.382 0.000 2.358 219 L HA 0.435 4.775 4.340 -0.000 0.000 0.268 219 L C -0.573 176.065 176.870 -0.386 0.000 1.032 219 L CA -0.987 53.557 54.840 -0.492 0.000 0.805 219 L CB 0.941 42.858 42.059 -0.237 0.000 1.253 219 L HN 0.548 nan 8.230 nan 0.000 0.452 220 Y N -0.929 119.402 120.300 0.052 0.000 2.420 220 Y HA 0.514 5.064 4.550 -0.000 0.000 0.334 220 Y C 0.872 176.830 175.900 0.096 0.000 1.094 220 Y CA -0.737 57.414 58.100 0.085 0.000 1.126 220 Y CB 1.635 40.163 38.460 0.113 0.000 1.217 220 Y HN 0.641 nan 8.280 nan 0.000 0.462 221 G N 0.917 109.876 108.800 0.266 0.000 3.142 221 G HA2 0.322 4.281 3.960 -0.000 0.000 0.178 221 G HA3 0.322 4.281 3.960 -0.000 0.000 0.178 221 G C 0.439 175.471 174.900 0.220 0.000 1.941 221 G CA -0.071 45.144 45.100 0.192 0.000 0.902 221 G HN 0.876 nan 8.290 nan 0.000 0.517 222 G N -0.845 108.065 108.800 0.184 0.000 2.544 222 G HA2 0.327 4.287 3.960 -0.000 0.000 0.242 222 G HA3 0.327 4.287 3.960 -0.000 0.000 0.242 222 G C 0.799 175.804 174.900 0.176 0.000 1.247 222 G CA -0.527 44.687 45.100 0.189 0.000 0.840 222 G HN 0.225 nan 8.290 nan 0.000 0.578 223 L N 1.183 122.476 121.223 0.117 0.000 2.211 223 L HA -0.151 4.189 4.340 -0.000 0.000 0.216 223 L C 2.587 179.669 176.870 0.352 0.000 1.092 223 L CA 2.122 57.040 54.840 0.131 0.000 0.767 223 L CB -0.396 41.628 42.059 -0.058 0.000 0.894 223 L HN 0.797 nan 8.230 nan 0.000 0.437 224 D N -1.458 119.126 120.400 0.306 0.000 2.363 224 D HA -0.129 4.511 4.640 -0.000 0.000 0.226 224 D C 0.847 177.089 176.300 -0.098 0.000 1.020 224 D CA 0.726 54.712 54.000 -0.025 0.000 0.892 224 D CB -0.461 40.235 40.800 -0.174 0.000 0.900 224 D HN 0.513 nan 8.370 nan 0.000 0.531 225 D N -0.204 120.207 120.400 0.017 0.000 2.325 225 D HA 0.033 4.673 4.640 -0.000 0.000 0.225 225 D C 1.369 177.645 176.300 -0.041 0.000 1.096 225 D CA -0.175 53.833 54.000 0.014 0.000 0.844 225 D CB -0.175 40.684 40.800 0.097 0.000 0.925 225 D HN 0.234 nan 8.370 nan 0.000 0.513 226 L N -0.380 120.788 121.223 -0.092 0.000 2.728 226 L HA 0.312 4.652 4.340 -0.000 0.000 0.238 226 L C 2.137 178.875 176.870 -0.220 0.000 1.143 226 L CA -0.329 54.383 54.840 -0.214 0.000 0.937 226 L CB 0.213 42.128 42.059 -0.239 0.000 1.225 226 L HN 0.017 nan 8.230 nan 0.000 0.507 227 R N -0.156 120.225 120.500 -0.199 0.000 2.075 227 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 227 R C 1.907 178.112 176.300 -0.158 0.000 1.126 227 R CA 1.882 57.826 56.100 -0.261 0.000 0.963 227 R CB 0.012 29.980 30.300 -0.552 0.000 0.858 227 R HN 0.161 nan 8.270 nan 0.000 0.435 228 T N 1.165 115.667 114.554 -0.086 0.000 2.777 228 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 228 T C 1.672 176.399 174.700 0.046 0.000 1.040 228 T CA 1.491 63.614 62.100 0.037 0.000 1.141 228 T CB -0.109 68.853 68.868 0.157 0.000 0.868 228 T HN 0.275 nan 8.240 nan 0.000 0.444 229 M N 0.589 120.092 119.600 -0.162 0.000 2.117 229 M HA -0.055 4.425 4.480 -0.000 0.000 0.262 229 M C 2.154 178.275 176.300 -0.299 0.000 1.065 229 M CA 1.406 56.437 55.300 -0.448 0.000 1.114 229 M CB -0.237 31.765 32.600 -0.997 0.000 1.361 229 M HN 0.247 nan 8.290 nan 0.000 0.408 230 L N 0.458 121.468 121.223 -0.354 0.000 1.970 230 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 230 L C 2.425 179.159 176.870 -0.227 0.000 1.071 230 L CA 2.383 56.962 54.840 -0.435 0.000 0.751 230 L CB -1.093 40.608 42.059 -0.597 0.000 0.889 230 L HN 0.388 nan 8.230 nan 0.000 0.432 231 V N -2.094 117.756 119.914 -0.105 0.000 2.255 231 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 231 V C 2.252 178.378 176.094 0.054 0.000 1.051 231 V CA 2.165 64.473 62.300 0.013 0.000 1.018 231 V CB -1.356 30.576 31.823 0.180 0.000 0.641 231 V HN 0.656 nan 8.190 nan 0.000 0.445 232 E N -0.120 120.121 120.200 0.069 0.000 2.085 232 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 232 E C 2.264 178.870 176.600 0.010 0.000 0.994 232 E CA 1.899 58.348 56.400 0.082 0.000 0.801 232 E CB -0.452 29.345 29.700 0.161 0.000 0.743 232 E HN 0.758 nan 8.360 nan 0.000 0.453 233 C N 0.385 119.662 119.300 -0.038 0.000 2.435 233 C HA -0.093 4.367 4.460 -0.000 0.000 0.279 233 C C 2.360 177.279 174.990 -0.120 0.000 1.321 233 C CA 0.076 59.043 59.018 -0.086 0.000 1.752 233 C CB -0.990 26.669 27.740 -0.136 0.000 1.959 233 C HN 0.400 nan 8.230 nan 0.000 0.500 234 F N 2.465 122.261 119.950 -0.256 0.000 2.163 234 F HA 0.039 4.566 4.527 -0.000 0.000 0.297 234 F C 2.351 177.983 175.800 -0.280 0.000 1.094 234 F CA 1.359 59.155 58.000 -0.340 0.000 1.290 234 F CB -0.472 38.191 39.000 -0.562 0.000 1.017 234 F HN 0.123 nan 8.300 nan 0.000 0.483 235 A N 0.409 123.108 122.820 -0.202 0.000 1.972 235 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 235 A C 2.375 179.816 177.584 -0.237 0.000 1.169 235 A CA 1.654 53.612 52.037 -0.131 0.000 0.635 235 A CB -1.468 17.594 19.000 0.104 0.000 0.810 235 A HN 0.511 nan 8.150 nan 0.000 0.446 236 A N 0.022 122.713 122.820 -0.215 0.000 1.841 236 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 236 A C 1.990 179.423 177.584 -0.253 0.000 1.195 236 A CA 1.586 53.511 52.037 -0.187 0.000 0.611 236 A CB -0.687 18.234 19.000 -0.132 0.000 0.835 236 A HN 0.392 nan 8.150 nan 0.000 0.443 237 I N -0.048 120.334 120.570 -0.315 0.000 2.113 237 I HA -0.373 3.797 4.170 -0.000 0.000 0.242 237 I C 2.734 178.645 176.117 -0.344 0.000 1.064 237 I CA 2.215 63.344 61.300 -0.284 0.000 1.320 237 I CB -0.427 37.411 38.000 -0.271 0.000 1.028 237 I HN 0.547 nan 8.210 nan 0.000 0.406 238 Q N 0.172 119.608 119.800 -0.606 0.000 2.077 238 Q HA -0.285 4.055 4.340 -0.000 0.000 0.206 238 Q C 2.333 178.168 176.000 -0.276 0.000 0.989 238 Q CA 2.631 58.140 55.803 -0.489 0.000 0.853 238 Q CB -0.186 28.240 28.738 -0.521 0.000 0.907 238 Q HN 0.661 nan 8.270 nan 0.000 0.418 239 S N -0.448 115.117 115.700 -0.225 0.000 2.442 239 S HA -0.096 4.374 4.470 -0.000 0.000 0.236 239 S C 1.595 176.108 174.600 -0.144 0.000 1.007 239 S CA 0.849 58.962 58.200 -0.144 0.000 0.965 239 S CB -0.160 62.969 63.200 -0.118 0.000 0.773 239 S HN 0.454 nan 8.310 nan 0.000 0.504 240 L N 1.403 122.511 121.223 -0.192 0.000 2.640 240 L HA 0.207 4.547 4.340 -0.000 0.000 0.230 240 L C 2.545 179.424 176.870 0.015 0.000 1.123 240 L CA 0.174 54.881 54.840 -0.221 0.000 0.900 240 L CB -0.250 41.459 42.059 -0.583 0.000 1.146 240 L HN 0.488 nan 8.230 nan 0.000 0.484 241 Q N -0.669 119.065 119.800 -0.110 0.000 2.364 241 Q HA -0.185 4.155 4.340 -0.000 0.000 0.209 241 Q C 1.024 176.854 176.000 -0.283 0.000 0.977 241 Q CA 1.281 56.941 55.803 -0.238 0.000 0.885 241 Q CB -0.111 28.366 28.738 -0.435 0.000 0.941 241 Q HN 0.536 nan 8.270 nan 0.000 0.464 242 H N 0.291 119.418 119.070 0.094 0.000 2.586 242 H HA 0.270 4.826 4.556 -0.000 0.000 0.273 242 H C -0.024 175.423 175.328 0.198 0.000 0.997 242 H CA -0.142 55.965 56.048 0.098 0.000 1.177 242 H CB 0.467 30.254 29.762 0.041 0.000 1.471 242 H HN 0.296 nan 8.280 nan 0.000 0.538 243 E N 1.408 121.839 120.200 0.386 0.000 2.418 243 E HA 0.107 4.457 4.350 -0.000 0.000 0.261 243 E C -0.057 176.876 176.600 0.555 0.000 1.070 243 E CA 0.001 56.648 56.400 0.412 0.000 0.931 243 E CB 1.982 31.903 29.700 0.369 0.000 0.954 243 E HN -0.095 nan 8.360 nan 0.000 0.439 244 V N 2.219 122.356 119.914 0.372 0.000 2.628 244 V HA 0.309 4.429 4.120 -0.000 0.000 0.306 244 V C -0.308 175.900 176.094 0.189 0.000 1.045 244 V CA -0.702 61.791 62.300 0.322 0.000 0.905 244 V CB 2.177 34.118 31.823 0.196 0.000 0.997 244 V HN 0.354 nan 8.190 nan 0.000 0.436 245 V N 2.689 122.699 119.914 0.160 0.000 2.531 245 V HA 0.878 4.998 4.120 -0.000 0.000 0.301 245 V C 0.390 176.500 176.094 0.027 0.000 1.034 245 V CA -0.166 62.125 62.300 -0.016 0.000 0.865 245 V CB 1.676 33.380 31.823 -0.197 0.000 0.995 245 V HN 1.037 nan 8.190 nan 0.000 0.424 246 G N 4.041 112.832 108.800 -0.014 0.000 4.341 246 G HA2 0.516 4.476 3.960 -0.000 0.000 0.252 246 G HA3 0.516 4.476 3.960 -0.000 0.000 0.252 246 G C -0.905 173.980 174.900 -0.025 0.000 2.181 246 G CA -0.260 44.838 45.100 -0.004 0.000 0.602 246 G HN 0.654 nan 8.290 nan 0.000 0.346 247 Q N 1.212 120.984 119.800 -0.047 0.000 2.418 247 Q HA 0.353 4.693 4.340 -0.000 0.000 0.240 247 Q C -2.937 173.032 176.000 -0.052 0.000 0.859 247 Q CA -1.304 54.475 55.803 -0.039 0.000 0.916 247 Q CB 1.788 30.506 28.738 -0.034 0.000 1.448 247 Q HN 0.154 nan 8.270 nan 0.000 0.439 248 P HA -0.138 nan 4.420 nan 0.000 0.229 248 P C -0.873 176.402 177.300 -0.042 0.000 1.025 248 P CA 1.500 64.581 63.100 -0.031 0.000 0.791 248 P CB -0.521 31.168 31.700 -0.019 0.000 0.648 249 A N 4.158 126.947 122.820 -0.051 0.000 2.310 249 A HA 0.529 4.849 4.320 -0.000 0.000 0.299 249 A C 0.453 178.051 177.584 0.024 0.000 1.147 249 A CA -0.697 51.324 52.037 -0.026 0.000 0.818 249 A CB 0.296 19.260 19.000 -0.061 0.000 1.096 249 A HN 0.443 nan 8.150 nan 0.000 0.495 250 I N 2.463 123.067 120.570 0.057 0.000 2.618 250 I HA 0.091 4.261 4.170 -0.000 0.000 0.284 250 I C 0.755 177.001 176.117 0.215 0.000 1.146 250 I CA 1.298 62.666 61.300 0.115 0.000 1.425 250 I CB 0.112 38.179 38.000 0.112 0.000 1.383 250 I HN 0.691 nan 8.210 nan 0.000 0.562 251 H N 7.021 126.128 119.070 0.062 0.000 3.096 251 H HA 0.502 5.058 4.556 -0.000 0.000 0.335 251 H C -1.233 174.098 175.328 0.005 0.000 0.990 251 H CA -0.938 55.127 56.048 0.028 0.000 1.393 251 H CB 0.874 30.610 29.762 -0.045 0.000 1.742 251 H HN 0.558 nan 8.280 nan 0.000 0.501 252 R N 3.955 124.333 120.500 -0.203 0.000 2.628 252 R HA 0.278 4.618 4.340 -0.000 0.000 0.288 252 R C -1.027 174.954 176.300 -0.532 0.000 0.980 252 R CA -0.927 55.005 56.100 -0.279 0.000 0.891 252 R CB 3.042 33.405 30.300 0.105 0.000 1.188 252 R HN 0.637 nan 8.270 nan 0.000 0.450 253 Q N 1.397 120.894 119.800 -0.504 0.000 2.331 253 Q HA 0.225 4.565 4.340 -0.000 0.000 0.267 253 Q C -0.738 175.075 176.000 -0.311 0.000 1.006 253 Q CA -0.708 54.790 55.803 -0.508 0.000 0.818 253 Q CB 2.845 31.347 28.738 -0.393 0.000 1.276 253 Q HN 0.458 nan 8.270 nan 0.000 0.450 254 E N 2.371 122.362 120.200 -0.349 0.000 2.481 254 E HA -0.133 4.217 4.350 -0.000 0.000 0.263 254 E C -0.590 176.057 176.600 0.079 0.000 0.992 254 E CA 0.039 56.426 56.400 -0.021 0.000 0.938 254 E CB 0.583 30.331 29.700 0.080 0.000 0.933 254 E HN 0.493 nan 8.360 nan 0.000 0.453 255 H N 6.181 125.235 119.070 -0.027 0.000 2.767 255 H HA 0.167 4.723 4.556 -0.000 0.000 0.316 255 H C -2.118 173.095 175.328 -0.193 0.000 1.059 255 H CA -1.823 54.172 56.048 -0.087 0.000 1.461 255 H CB 0.775 30.475 29.762 -0.103 0.000 1.475 255 H HN 0.369 nan 8.280 nan 0.000 0.531 256 P HA 0.111 nan 4.420 nan 0.000 0.275 256 P C -0.396 176.365 177.300 -0.899 0.000 1.227 256 P CA 0.017 62.419 63.100 -1.163 0.000 0.781 256 P CB 1.345 32.628 31.700 -0.696 0.000 0.906 257 H N 0.697 119.232 119.070 -0.891 0.000 2.505 257 H HA 0.285 4.841 4.556 -0.000 0.000 0.358 257 H C 0.958 176.194 175.328 -0.153 0.000 1.304 257 H CA -0.907 54.971 56.048 -0.282 0.000 1.393 257 H CB 0.864 30.627 29.762 0.002 0.000 1.591 257 H HN 0.267 nan 8.280 nan 0.000 0.595 258 R N 1.306 121.859 120.500 0.088 0.000 2.585 258 R HA 0.005 4.345 4.340 -0.000 0.000 0.275 258 R C -0.575 175.767 176.300 0.069 0.000 1.018 258 R CA -0.096 56.045 56.100 0.068 0.000 1.072 258 R CB 0.410 30.744 30.300 0.056 0.000 0.953 258 R HN 0.333 nan 8.270 nan 0.000 0.419 259 V N 6.183 126.104 119.914 0.011 0.000 2.673 259 V HA 0.044 4.164 4.120 -0.000 0.000 0.303 259 V C -1.735 174.285 176.094 -0.122 0.000 1.046 259 V CA -1.088 61.169 62.300 -0.071 0.000 1.126 259 V CB 0.209 31.814 31.823 -0.362 0.000 0.934 259 V HN 0.684 nan 8.190 nan 0.000 0.487 260 P HA 0.183 nan 4.420 nan 0.000 0.272 260 P C 0.907 178.056 177.300 -0.250 0.000 1.223 260 P CA -0.255 62.743 63.100 -0.170 0.000 0.784 260 P CB 0.758 32.315 31.700 -0.239 0.000 0.923 261 V N 2.111 121.939 119.914 -0.143 0.000 2.307 261 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 261 V C 2.342 178.373 176.094 -0.105 0.000 1.045 261 V CA 2.143 64.378 62.300 -0.108 0.000 1.024 261 V CB -1.568 30.239 31.823 -0.027 0.000 0.651 261 V HN 0.782 nan 8.190 nan 0.000 0.449 262 H N -0.590 118.460 119.070 -0.033 0.000 2.457 262 H HA -0.125 4.431 4.556 -0.000 0.000 0.297 262 H C 2.079 177.392 175.328 -0.025 0.000 1.092 262 H CA 2.070 58.103 56.048 -0.026 0.000 1.309 262 H CB -0.212 29.539 29.762 -0.018 0.000 1.382 262 H HN 0.442 nan 8.280 nan 0.000 0.535 263 I N 1.058 121.308 120.570 -0.533 0.000 2.585 263 I HA -0.021 4.149 4.170 -0.000 0.000 0.254 263 I C 2.969 178.999 176.117 -0.146 0.000 1.129 263 I CA 0.716 61.852 61.300 -0.273 0.000 1.455 263 I CB -0.165 37.661 38.000 -0.289 0.000 1.111 263 I HN 0.302 nan 8.210 nan 0.000 0.433 264 A N 0.281 122.960 122.820 -0.235 0.000 1.930 264 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 264 A C 1.804 179.347 177.584 -0.069 0.000 1.175 264 A CA 1.290 53.180 52.037 -0.246 0.000 0.627 264 A CB -0.453 18.261 19.000 -0.477 0.000 0.815 264 A HN 0.414 nan 8.150 nan 0.000 0.443 265 E N 0.068 120.234 120.200 -0.056 0.000 2.296 265 E HA 0.085 4.435 4.350 -0.000 0.000 0.196 265 E C -0.475 176.128 176.600 0.004 0.000 1.143 265 E CA -0.212 56.179 56.400 -0.015 0.000 1.145 265 E CB -0.060 29.633 29.700 -0.011 0.000 1.215 265 E HN 0.639 nan 8.360 nan 0.000 0.447 266 R N -1.091 119.418 120.500 0.015 0.000 2.750 266 R HA 0.520 4.860 4.340 -0.000 0.000 0.281 266 R C -0.677 175.632 176.300 0.016 0.000 0.972 266 R CA -0.964 55.146 56.100 0.016 0.000 0.912 266 R CB 1.332 31.649 30.300 0.028 0.000 1.187 266 R HN -0.195 nan 8.270 nan 0.000 0.464 267 V N 1.803 121.708 119.914 -0.015 0.000 2.432 267 V HA 0.237 4.357 4.120 -0.000 0.000 0.271 267 V C 1.368 177.467 176.094 0.009 0.000 1.046 267 V CA -0.070 62.201 62.300 -0.049 0.000 0.945 267 V CB 1.222 32.966 31.823 -0.132 0.000 0.992 267 V HN 1.101 nan 8.190 nan 0.000 0.471 268 G N 4.138 112.989 108.800 0.085 0.000 2.708 268 G HA2 0.076 4.036 3.960 -0.000 0.000 0.210 268 G HA3 0.076 4.036 3.960 -0.000 0.000 0.210 268 G C 0.199 175.316 174.900 0.363 0.000 1.141 268 G CA 1.044 46.283 45.100 0.231 0.000 0.788 268 G HN 0.959 nan 8.290 nan 0.000 0.531 269 Y N -2.980 117.369 120.300 0.082 0.000 2.774 269 Y HA 0.511 5.061 4.550 -0.000 0.000 0.346 269 Y C -2.050 173.869 175.900 0.032 0.000 1.222 269 Y CA -2.159 55.987 58.100 0.076 0.000 1.088 269 Y CB 0.688 39.181 38.460 0.055 0.000 1.354 269 Y HN -0.111 nan 8.280 nan 0.000 0.455 270 D N 1.266 121.787 120.400 0.202 0.000 2.396 270 D HA 0.319 4.959 4.640 -0.000 0.000 0.225 270 D C 0.611 176.984 176.300 0.121 0.000 1.121 270 D CA -0.192 53.851 54.000 0.072 0.000 0.853 270 D CB 1.857 42.721 40.800 0.107 0.000 1.043 270 D HN 0.538 nan 8.370 nan 0.000 0.500 271 V N 4.283 124.150 119.914 -0.078 0.000 2.261 271 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 271 V C 2.369 178.496 176.094 0.054 0.000 1.047 271 V CA 2.054 64.340 62.300 -0.024 0.000 1.015 271 V CB -0.574 31.152 31.823 -0.162 0.000 0.642 271 V HN 0.693 nan 8.190 nan 0.000 0.446 272 E N 0.230 120.450 120.200 0.033 0.000 2.097 272 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 272 E C 2.185 178.857 176.600 0.120 0.000 1.000 272 E CA 1.603 58.038 56.400 0.059 0.000 0.804 272 E CB -0.249 29.475 29.700 0.039 0.000 0.740 272 E HN 0.566 nan 8.360 nan 0.000 0.454 273 A N 0.098 122.999 122.820 0.136 0.000 1.930 273 A HA -0.139 4.180 4.320 -0.000 0.000 0.217 273 A C 2.366 180.055 177.584 0.175 0.000 1.175 273 A CA 1.882 54.023 52.037 0.173 0.000 0.627 273 A CB -0.799 18.289 19.000 0.147 0.000 0.815 273 A HN 0.338 nan 8.150 nan 0.000 0.443 274 T N 0.586 115.237 114.554 0.162 0.000 2.777 274 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 274 T C 1.803 176.561 174.700 0.096 0.000 1.040 274 T CA 1.484 63.654 62.100 0.116 0.000 1.141 274 T CB -0.390 68.536 68.868 0.095 0.000 0.868 274 T HN 0.382 nan 8.240 nan 0.000 0.444 275 L N -0.013 121.277 121.223 0.112 0.000 2.017 275 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 275 L C 2.524 179.514 176.870 0.200 0.000 1.073 275 L CA 1.633 56.550 54.840 0.129 0.000 0.745 275 L CB -0.725 41.405 42.059 0.119 0.000 0.894 275 L HN 0.433 nan 8.230 nan 0.000 0.432 276 H N 0.046 119.164 119.070 0.081 0.000 2.319 276 H HA -0.246 4.310 4.556 -0.000 0.000 0.297 276 H C 2.448 177.833 175.328 0.095 0.000 1.097 276 H CA 1.452 57.548 56.048 0.081 0.000 1.285 276 H CB 0.302 30.105 29.762 0.068 0.000 1.368 276 H HN 0.037 nan 8.280 nan 0.000 0.495 277 R N 0.763 121.352 120.500 0.148 0.000 2.148 277 R HA -0.078 4.262 4.340 -0.000 0.000 0.227 277 R C 2.118 178.501 176.300 0.138 0.000 1.103 277 R CA 0.643 56.798 56.100 0.091 0.000 0.983 277 R CB -0.739 29.664 30.300 0.172 0.000 0.874 277 R HN 0.339 nan 8.270 nan 0.000 0.451 278 L N -0.088 121.218 121.223 0.139 0.000 2.353 278 L HA 0.025 4.365 4.340 -0.000 0.000 0.220 278 L C 1.395 178.423 176.870 0.263 0.000 1.133 278 L CA 1.694 56.616 54.840 0.137 0.000 0.798 278 L CB -0.141 42.000 42.059 0.138 0.000 0.922 278 L HN 0.283 nan 8.230 nan 0.000 0.445 279 M N -1.824 117.945 119.600 0.282 0.000 2.371 279 M HA 0.139 4.619 4.480 -0.000 0.000 0.246 279 M C 0.312 176.836 176.300 0.373 0.000 1.103 279 M CA 0.110 55.647 55.300 0.394 0.000 1.010 279 M CB 0.340 33.110 32.600 0.283 0.000 1.457 279 M HN 0.150 nan 8.290 nan 0.000 0.486 280 Q N -0.732 119.162 119.800 0.157 0.000 2.240 280 Q HA 0.305 4.645 4.340 -0.000 0.000 0.260 280 Q C -0.256 175.697 176.000 -0.078 0.000 1.018 280 Q CA -0.894 54.886 55.803 -0.038 0.000 0.898 280 Q CB 0.934 29.487 28.738 -0.308 0.000 1.301 280 Q HN 0.207 nan 8.270 nan 0.000 0.469 281 H N -1.605 117.491 119.070 0.043 0.000 2.741 281 H HA -0.197 4.359 4.556 -0.000 0.000 0.305 281 H C -1.123 174.166 175.328 -0.065 0.000 1.169 281 H CA 0.616 56.656 56.048 -0.014 0.000 1.144 281 H CB -1.683 28.043 29.762 -0.060 0.000 1.397 281 H HN 0.499 nan 8.280 nan 0.000 0.409 282 W N 0.000 121.353 121.300 0.088 0.000 2.129 282 W HA 0.411 5.071 4.660 -0.000 0.000 0.349 282 W C 0.786 177.328 176.519 0.039 0.000 1.279 282 W CA 0.469 57.846 57.345 0.053 0.000 1.306 282 W CB 1.058 30.532 29.460 0.024 0.000 1.140 282 W HN 0.023 nan 8.180 nan 0.000 0.613 283 T N 1.613 116.381 114.554 0.357 0.000 2.982 283 T HA 0.174 4.524 4.350 -0.000 0.000 0.321 283 T C -2.033 172.765 174.700 0.163 0.000 1.229 283 T CA -1.099 61.110 62.100 0.182 0.000 1.044 283 T CB 1.670 70.593 68.868 0.091 0.000 1.184 283 T HN 0.002 nan 8.240 nan 0.000 0.477 284 P HA -0.049 nan 4.420 nan 0.000 0.216 284 P C 1.466 178.791 177.300 0.041 0.000 1.150 284 P CA 0.821 63.955 63.100 0.057 0.000 0.837 284 P CB 0.259 31.978 31.700 0.031 0.000 0.786 285 R N 0.026 120.538 120.500 0.021 0.000 2.096 285 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 285 R C 2.306 178.574 176.300 -0.054 0.000 1.127 285 R CA 1.552 57.638 56.100 -0.022 0.000 0.968 285 R CB -0.522 29.753 30.300 -0.040 0.000 0.861 285 R HN 0.197 nan 8.270 nan 0.000 0.440 286 Q N -0.487 119.305 119.800 -0.015 0.000 2.096 286 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 286 Q C 2.113 178.169 176.000 0.093 0.000 0.982 286 Q CA 1.913 57.706 55.803 -0.017 0.000 0.850 286 Q CB 0.006 28.767 28.738 0.038 0.000 0.901 286 Q HN 0.223 nan 8.270 nan 0.000 0.422 287 V N 1.053 121.068 119.914 0.168 0.000 2.343 287 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 287 V C 2.173 178.292 176.094 0.042 0.000 1.051 287 V CA 2.062 64.431 62.300 0.115 0.000 1.036 287 V CB -0.586 31.253 31.823 0.028 0.000 0.654 287 V HN 0.411 nan 8.190 nan 0.000 0.451 288 E N -0.154 120.053 120.200 0.013 0.000 2.047 288 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 288 E C 2.211 178.804 176.600 -0.012 0.000 0.987 288 E CA 1.114 57.511 56.400 -0.004 0.000 0.799 288 E CB -0.087 29.605 29.700 -0.014 0.000 0.752 288 E HN 0.356 nan 8.360 nan 0.000 0.449 289 L N 1.153 122.333 121.223 -0.072 0.000 2.129 289 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 289 L C 2.295 179.204 176.870 0.064 0.000 1.087 289 L CA 1.331 56.092 54.840 -0.131 0.000 0.757 289 L CB -0.719 41.054 42.059 -0.477 0.000 0.896 289 L HN 0.277 nan 8.230 nan 0.000 0.434 290 L N -1.212 120.071 121.223 0.100 0.000 2.353 290 L HA -0.184 4.156 4.340 -0.000 0.000 0.220 290 L C 2.254 179.286 176.870 0.270 0.000 1.133 290 L CA 0.322 55.305 54.840 0.239 0.000 0.798 290 L CB -0.334 41.783 42.059 0.097 0.000 0.922 290 L HN 0.212 nan 8.230 nan 0.000 0.445 291 E N 0.481 120.759 120.200 0.131 0.000 2.267 291 E HA -0.188 4.162 4.350 -0.000 0.000 0.197 291 E C 2.010 178.645 176.600 0.057 0.000 0.998 291 E CA 1.013 57.458 56.400 0.075 0.000 0.830 291 E CB -0.192 29.526 29.700 0.029 0.000 0.751 291 E HN 0.459 nan 8.360 nan 0.000 0.491 292 L N -0.605 120.645 121.223 0.045 0.000 2.552 292 L HA 0.050 4.390 4.340 -0.000 0.000 0.227 292 L C 0.090 176.801 176.870 -0.266 0.000 1.146 292 L CA -0.091 54.644 54.840 -0.175 0.000 0.858 292 L CB -0.016 41.828 42.059 -0.358 0.000 0.969 292 L HN -0.013 nan 8.230 nan 0.000 0.451 293 F N -0.619 119.357 119.950 0.044 0.000 2.483 293 F HA 0.268 4.794 4.527 -0.000 0.000 0.329 293 F C 1.210 177.046 175.800 0.061 0.000 1.064 293 F CA -1.254 56.790 58.000 0.073 0.000 0.986 293 F CB 0.925 39.983 39.000 0.096 0.000 1.218 293 F HN -0.181 nan 8.300 nan 0.000 0.484 294 T N -2.009 112.700 114.554 0.259 0.000 2.908 294 T HA -0.017 4.333 4.350 -0.000 0.000 0.325 294 T C 1.131 175.921 174.700 0.151 0.000 1.092 294 T CA -0.101 62.104 62.100 0.174 0.000 1.125 294 T CB 0.495 69.468 68.868 0.175 0.000 1.016 294 T HN 0.690 nan 8.240 nan 0.000 0.550 295 T N 3.855 118.466 114.554 0.096 0.000 2.665 295 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 295 T C -0.697 174.019 174.700 0.028 0.000 1.035 295 T CA 1.796 63.929 62.100 0.055 0.000 1.151 295 T CB -1.402 67.488 68.868 0.038 0.000 0.862 295 T HN 0.616 nan 8.240 nan 0.000 0.438 296 P HA -0.038 nan 4.420 nan 0.000 0.215 296 P C 1.660 178.919 177.300 -0.069 0.000 1.157 296 P CA 0.690 63.813 63.100 0.039 0.000 0.874 296 P CB -0.249 31.540 31.700 0.148 0.000 0.790 297 V N -0.157 119.803 119.914 0.076 0.000 2.427 297 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 297 V C 2.705 178.718 176.094 -0.134 0.000 1.051 297 V CA 1.762 64.092 62.300 0.050 0.000 1.048 297 V CB -1.004 30.988 31.823 0.281 0.000 0.666 297 V HN 0.068 nan 8.190 nan 0.000 0.456 298 R N 0.021 120.507 120.500 -0.024 0.000 2.062 298 R HA -0.151 4.189 4.340 -0.000 0.000 0.231 298 R C 2.368 178.588 176.300 -0.133 0.000 1.136 298 R CA 1.535 57.617 56.100 -0.029 0.000 0.948 298 R CB -0.153 30.179 30.300 0.054 0.000 0.845 298 R HN 0.418 nan 8.270 nan 0.000 0.430 299 E N -0.140 119.963 120.200 -0.161 0.000 2.077 299 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 299 E C 1.871 178.272 176.600 -0.331 0.000 0.989 299 E CA 1.343 57.627 56.400 -0.194 0.000 0.800 299 E CB -0.591 29.025 29.700 -0.141 0.000 0.746 299 E HN 0.584 nan 8.360 nan 0.000 0.452 300 G N 1.564 109.983 108.800 -0.636 0.000 2.480 300 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 300 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 300 G C 1.605 176.096 174.900 -0.683 0.000 1.200 300 G CA 0.532 44.883 45.100 -1.249 0.000 0.782 300 G HN 0.225 nan 8.290 nan 0.000 0.554 301 L N -0.014 120.947 121.223 -0.436 0.000 2.201 301 L HA 0.041 4.381 4.340 -0.000 0.000 0.212 301 L C 3.118 180.041 176.870 0.089 0.000 1.105 301 L CA 0.826 55.688 54.840 0.037 0.000 0.775 301 L CB -0.288 41.848 42.059 0.129 0.000 0.913 301 L HN 0.265 nan 8.230 nan 0.000 0.440 302 R N -1.094 119.344 120.500 -0.104 0.000 2.092 302 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 302 R C 2.077 178.220 176.300 -0.261 0.000 1.119 302 R CA 1.730 57.685 56.100 -0.241 0.000 0.970 302 R CB -0.290 29.887 30.300 -0.206 0.000 0.864 302 R HN 0.334 nan 8.270 nan 0.000 0.440 303 T N 0.439 114.894 114.554 -0.165 0.000 2.720 303 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 303 T C 1.937 176.598 174.700 -0.066 0.000 1.037 303 T CA 1.292 63.320 62.100 -0.120 0.000 1.144 303 T CB -0.444 68.370 68.868 -0.091 0.000 0.864 303 T HN 0.372 nan 8.240 nan 0.000 0.444 304 C N 1.804 121.129 119.300 0.041 0.000 2.388 304 C HA -0.132 4.328 4.460 -0.000 0.000 0.299 304 C C 2.668 177.738 174.990 0.132 0.000 1.390 304 C CA 0.568 59.700 59.018 0.191 0.000 1.808 304 C CB -1.518 26.474 27.740 0.420 0.000 1.831 304 C HN 0.616 nan 8.230 nan 0.000 0.548 305 Q N -0.398 119.243 119.800 -0.265 0.000 2.297 305 Q HA -0.050 4.290 4.340 -0.000 0.000 0.204 305 Q C 2.295 178.193 176.000 -0.171 0.000 0.962 305 Q CA 0.963 56.477 55.803 -0.482 0.000 0.879 305 Q CB 0.025 28.258 28.738 -0.841 0.000 0.947 305 Q HN 0.715 nan 8.270 nan 0.000 0.462 306 R N -0.133 120.300 120.500 -0.111 0.000 2.194 306 R HA 0.186 4.526 4.340 -0.000 0.000 0.194 306 R C 0.719 177.014 176.300 -0.008 0.000 0.985 306 R CA 0.299 56.363 56.100 -0.061 0.000 1.104 306 R CB 0.600 30.851 30.300 -0.081 0.000 1.092 306 R HN 0.059 nan 8.270 nan 0.000 0.555 307 R N 0.744 121.250 120.500 0.009 0.000 2.764 307 R HA 0.451 4.791 4.340 -0.000 0.000 0.270 307 R C -3.220 173.131 176.300 0.085 0.000 1.014 307 R CA -2.134 53.990 56.100 0.039 0.000 0.904 307 R CB 1.354 31.660 30.300 0.009 0.000 1.236 307 R HN -0.260 nan 8.270 nan 0.000 0.466 308 P HA 0.230 nan 4.420 nan 0.000 0.276 308 P C -1.286 176.095 177.300 0.134 0.000 1.243 308 P CA -0.178 63.041 63.100 0.198 0.000 0.768 308 P CB 1.365 33.226 31.700 0.269 0.000 0.856 309 A N 3.227 126.156 122.820 0.183 0.000 2.371 309 A HA 0.744 5.064 4.320 -0.000 0.000 0.311 309 A C -0.407 177.339 177.584 0.271 0.000 1.068 309 A CA -0.488 51.587 52.037 0.064 0.000 0.744 309 A CB 0.445 19.521 19.000 0.128 0.000 1.239 309 A HN 0.572 nan 8.150 nan 0.000 0.435 310 F N -0.193 119.841 119.950 0.139 0.000 3.020 310 F HA 0.245 4.772 4.527 -0.000 0.000 0.392 310 F C 0.913 176.521 175.800 -0.320 0.000 1.018 310 F CA -0.347 57.534 58.000 -0.198 0.000 1.045 310 F CB -0.302 38.589 39.000 -0.182 0.000 1.261 310 F HN 0.372 nan 8.300 nan 0.000 0.549 311 N N 2.210 120.733 118.700 -0.295 0.000 2.205 311 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 311 N C 1.689 177.176 175.510 -0.038 0.000 1.015 311 N CA 2.100 55.085 53.050 -0.108 0.000 0.862 311 N CB -0.645 37.769 38.487 -0.122 0.000 0.986 311 N HN 0.624 nan 8.380 nan 0.000 0.429 312 F N -0.383 119.573 119.950 0.011 0.000 2.293 312 F HA 0.107 4.634 4.527 -0.000 0.000 0.300 312 F C 1.295 177.161 175.800 0.110 0.000 1.086 312 F CA 0.221 58.253 58.000 0.054 0.000 1.375 312 F CB -0.556 38.471 39.000 0.045 0.000 1.045 312 F HN -0.140 nan 8.300 nan 0.000 0.516 313 M N 3.430 122.567 119.600 -0.770 0.000 3.690 313 M HA 0.183 4.663 4.480 -0.000 0.000 0.209 313 M C -0.501 175.754 176.300 -0.075 0.000 1.403 313 M CA -1.069 53.983 55.300 -0.413 0.000 1.621 313 M CB -1.523 30.690 32.600 -0.645 0.000 1.056 313 M HN 0.338 nan 8.290 nan 0.000 0.593 314 D N -0.816 119.625 120.400 0.069 0.000 2.398 314 D HA 0.039 4.678 4.640 -0.000 0.000 0.264 314 D C 0.696 177.156 176.300 0.267 0.000 1.263 314 D CA -0.191 53.896 54.000 0.145 0.000 1.037 314 D CB 0.342 41.234 40.800 0.152 0.000 1.101 314 D HN 0.444 nan 8.370 nan 0.000 0.551 315 E N -1.438 118.944 120.200 0.304 0.000 2.049 315 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 315 E C 1.963 178.861 176.600 0.496 0.000 1.007 315 E CA 1.447 58.091 56.400 0.407 0.000 0.809 315 E CB -0.066 29.773 29.700 0.232 0.000 0.749 315 E HN 0.355 nan 8.360 nan 0.000 0.450 316 M N -0.259 119.551 119.600 0.350 0.000 2.156 316 M HA -0.015 4.465 4.480 -0.000 0.000 0.264 316 M C 2.321 178.792 176.300 0.284 0.000 1.067 316 M CA 1.190 56.673 55.300 0.306 0.000 1.131 316 M CB -1.193 31.543 32.600 0.227 0.000 1.368 316 M HN 0.114 nan 8.290 nan 0.000 0.416 317 A N -0.416 122.579 122.820 0.293 0.000 1.908 317 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 317 A C 2.215 180.021 177.584 0.371 0.000 1.181 317 A CA 1.557 53.783 52.037 0.315 0.000 0.627 317 A CB -1.337 17.860 19.000 0.330 0.000 0.818 317 A HN 0.759 nan 8.150 nan 0.000 0.445 318 W N 0.494 121.914 121.300 0.201 0.000 2.381 318 W HA -0.136 4.524 4.660 -0.000 0.000 0.301 318 W C 2.311 178.928 176.519 0.164 0.000 1.205 318 W CA 1.537 59.000 57.345 0.196 0.000 1.285 318 W CB -0.131 29.461 29.460 0.221 0.000 1.133 318 W HN 0.437 nan 8.180 nan 0.000 0.521 319 A N 1.123 123.970 122.820 0.045 0.000 1.877 319 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 319 A C 2.125 179.666 177.584 -0.071 0.000 1.186 319 A CA 2.648 54.535 52.037 -0.250 0.000 0.620 319 A CB -1.415 17.454 19.000 -0.219 0.000 0.822 319 A HN 0.329 nan 8.150 nan 0.000 0.443 320 A N -1.016 121.865 122.820 0.102 0.000 1.908 320 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 320 A C 2.311 179.978 177.584 0.139 0.000 1.181 320 A CA 2.473 54.609 52.037 0.165 0.000 0.627 320 A CB -1.321 17.790 19.000 0.184 0.000 0.818 320 A HN 0.450 nan 8.150 nan 0.000 0.445 321 T N -1.960 112.658 114.554 0.107 0.000 2.777 321 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 321 T C 1.750 176.395 174.700 -0.093 0.000 1.040 321 T CA 1.484 63.675 62.100 0.152 0.000 1.141 321 T CB -0.422 68.525 68.868 0.132 0.000 0.868 321 T HN 0.523 nan 8.240 nan 0.000 0.444 322 Y N 1.487 121.471 120.300 -0.527 0.000 2.114 322 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 322 Y C 2.733 178.449 175.900 -0.307 0.000 1.165 322 Y CA 1.771 59.523 58.100 -0.580 0.000 1.148 322 Y CB -0.215 37.770 38.460 -0.792 0.000 0.972 322 Y HN 0.357 nan 8.280 nan 0.000 0.504 323 H N -1.526 117.557 119.070 0.022 0.000 2.321 323 H HA -0.158 4.398 4.556 -0.000 0.000 0.300 323 H C 2.473 177.778 175.328 -0.038 0.000 1.087 323 H CA 1.885 57.931 56.048 -0.004 0.000 1.319 323 H CB -0.711 29.035 29.762 -0.026 0.000 1.379 323 H HN 0.269 nan 8.280 nan 0.000 0.501 324 V N 1.367 121.317 119.914 0.060 0.000 2.392 324 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 324 V C 2.843 178.925 176.094 -0.020 0.000 1.059 324 V CA 1.384 63.654 62.300 -0.051 0.000 1.051 324 V CB -0.714 30.838 31.823 -0.452 0.000 0.658 324 V HN 0.216 nan 8.190 nan 0.000 0.455 325 L N -1.008 120.199 121.223 -0.028 0.000 2.027 325 L HA -0.149 4.191 4.340 -0.000 0.000 0.206 325 L C 2.429 179.328 176.870 0.049 0.000 1.074 325 L CA 1.419 56.218 54.840 -0.068 0.000 0.745 325 L CB -0.478 41.283 42.059 -0.496 0.000 0.898 325 L HN 0.266 nan 8.230 nan 0.000 0.433 326 L N -0.295 120.981 121.223 0.088 0.000 2.081 326 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 326 L C 2.518 179.358 176.870 -0.049 0.000 1.080 326 L CA 1.670 56.546 54.840 0.061 0.000 0.754 326 L CB -0.360 41.698 42.059 -0.002 0.000 0.893 326 L HN 0.403 nan 8.230 nan 0.000 0.433 327 E N -1.586 118.549 120.200 -0.108 0.000 2.400 327 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 327 E C 1.135 177.415 176.600 -0.533 0.000 1.012 327 E CA 0.399 56.627 56.400 -0.286 0.000 0.875 327 E CB 0.327 29.843 29.700 -0.306 0.000 0.859 327 E HN 0.618 nan 8.360 nan 0.000 0.498 328 H N -1.940 116.994 119.070 -0.226 0.000 3.622 328 H HA 0.160 4.716 4.556 -0.000 0.000 0.259 328 H C -0.577 174.152 175.328 -0.999 0.000 1.145 328 H CA -0.507 55.295 56.048 -0.411 0.000 1.178 328 H CB 0.504 30.112 29.762 -0.257 0.000 1.542 328 H HN 0.026 nan 8.280 nan 0.000 0.586 329 F N 2.998 122.409 119.950 -0.897 0.000 2.538 329 F HA 0.154 4.681 4.527 -0.000 0.000 0.371 329 F C -0.003 175.359 175.800 -0.730 0.000 1.087 329 F CA -0.162 57.179 58.000 -1.097 0.000 1.250 329 F CB 0.655 39.455 39.000 -0.333 0.000 1.110 329 F HN -0.016 nan 8.300 nan 0.000 0.570 330 Q N 8.377 127.216 119.800 -1.603 0.000 2.431 330 Q HA 0.316 4.656 4.340 -0.000 0.000 0.249 330 Q C -2.421 173.028 176.000 -0.918 0.000 1.025 330 Q CA -2.187 53.090 55.803 -0.877 0.000 0.835 330 Q CB 1.380 29.855 28.738 -0.439 0.000 1.207 330 Q HN 0.410 nan 8.270 nan 0.000 0.490 331 P HA 0.037 nan 4.420 nan 0.000 0.265 331 P C 0.747 177.971 177.300 -0.126 0.000 1.193 331 P CA 0.806 63.792 63.100 -0.189 0.000 0.765 331 P CB 0.674 32.421 31.700 0.079 0.000 0.823 332 G N 1.896 110.669 108.800 -0.046 0.000 2.217 332 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.246 332 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.246 332 G C 0.114 175.004 174.900 -0.017 0.000 0.990 332 G CA -0.001 45.092 45.100 -0.013 0.000 0.627 332 G HN 0.655 nan 8.290 nan 0.000 0.522 333 D N 1.628 122.003 120.400 -0.043 0.000 2.336 333 D HA 0.358 4.998 4.640 -0.000 0.000 0.249 333 D C 0.019 176.344 176.300 0.042 0.000 1.213 333 D CA -1.628 52.387 54.000 0.024 0.000 0.870 333 D CB 1.506 42.376 40.800 0.116 0.000 1.076 333 D HN 0.181 nan 8.370 nan 0.000 0.483 334 P HA -0.170 nan 4.420 nan 0.000 0.216 334 P C 0.739 178.043 177.300 0.006 0.000 1.153 334 P CA 0.998 64.104 63.100 0.010 0.000 0.858 334 P CB 0.523 32.217 31.700 -0.011 0.000 0.789 335 D N -1.063 119.323 120.400 -0.023 0.000 2.117 335 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 335 D C 2.117 178.358 176.300 -0.099 0.000 0.987 335 D CA 1.032 54.975 54.000 -0.094 0.000 0.829 335 D CB -0.814 39.886 40.800 -0.167 0.000 0.961 335 D HN 0.298 nan 8.370 nan 0.000 0.460 336 W N 1.690 122.975 121.300 -0.024 0.000 2.358 336 W HA -0.092 4.568 4.660 -0.000 0.000 0.303 336 W C 2.534 179.159 176.519 0.178 0.000 1.208 336 W CA 0.661 58.008 57.345 0.003 0.000 1.274 336 W CB -0.090 29.191 29.460 -0.299 0.000 1.138 336 W HN 0.040 nan 8.180 nan 0.000 0.515 337 E N -0.098 120.315 120.200 0.356 0.000 2.051 337 E HA -0.273 4.077 4.350 -0.000 0.000 0.192 337 E C 1.882 178.632 176.600 0.251 0.000 0.991 337 E CA 1.529 58.151 56.400 0.370 0.000 0.799 337 E CB -0.230 29.600 29.700 0.217 0.000 0.748 337 E HN 0.090 nan 8.360 nan 0.000 0.449 338 E N 0.974 121.249 120.200 0.126 0.000 2.077 338 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 338 E C 1.884 178.526 176.600 0.070 0.000 0.989 338 E CA 0.682 57.129 56.400 0.077 0.000 0.800 338 E CB -0.230 29.446 29.700 -0.041 0.000 0.746 338 E HN 0.113 nan 8.360 nan 0.000 0.452 339 L N 0.086 121.322 121.223 0.021 0.000 2.017 339 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 339 L C 2.346 179.259 176.870 0.072 0.000 1.073 339 L CA 1.712 56.531 54.840 -0.034 0.000 0.745 339 L CB -0.990 41.022 42.059 -0.078 0.000 0.894 339 L HN 0.384 nan 8.230 nan 0.000 0.432 340 L N -1.067 120.287 121.223 0.218 0.000 2.013 340 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 340 L C 2.371 179.333 176.870 0.152 0.000 1.073 340 L CA 2.080 56.996 54.840 0.126 0.000 0.753 340 L CB -1.052 41.007 42.059 -0.001 0.000 0.890 340 L HN 0.364 nan 8.230 nan 0.000 0.432 341 F N 0.333 120.320 119.950 0.062 0.000 2.095 341 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 341 F C 2.313 178.194 175.800 0.135 0.000 1.104 341 F CA 2.101 60.165 58.000 0.107 0.000 1.232 341 F CB -0.141 38.886 39.000 0.045 0.000 0.987 341 F HN 0.058 nan 8.300 nan 0.000 0.475 342 K N -0.192 120.096 120.400 -0.187 0.000 2.062 342 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 342 K C 1.917 178.432 176.600 -0.140 0.000 1.051 342 K CA 0.972 57.094 56.287 -0.275 0.000 0.941 342 K CB -0.466 31.899 32.500 -0.225 0.000 0.719 342 K HN 0.199 nan 8.250 nan 0.000 0.440 343 L N 0.510 121.726 121.223 -0.011 0.000 1.978 343 L HA -0.237 4.103 4.340 -0.000 0.000 0.218 343 L C 2.211 179.169 176.870 0.146 0.000 1.075 343 L CA 1.815 56.733 54.840 0.131 0.000 0.767 343 L CB -1.338 40.822 42.059 0.168 0.000 0.890 343 L HN 0.372 nan 8.230 nan 0.000 0.434 344 W N 0.416 121.682 121.300 -0.058 0.000 2.358 344 W HA -0.219 4.441 4.660 -0.000 0.000 0.303 344 W C 2.509 178.766 176.519 -0.436 0.000 1.208 344 W CA 2.317 59.503 57.345 -0.264 0.000 1.274 344 W CB -0.593 28.787 29.460 -0.133 0.000 1.138 344 W HN 0.116 nan 8.180 nan 0.000 0.515 345 T N 0.130 114.357 114.554 -0.545 0.000 2.624 345 T HA -0.341 4.009 4.350 -0.000 0.000 0.268 345 T C 1.793 176.141 174.700 -0.585 0.000 1.041 345 T CA 3.216 64.856 62.100 -0.768 0.000 1.159 345 T CB -1.207 67.248 68.868 -0.689 0.000 0.863 345 T HN 0.444 nan 8.240 nan 0.000 0.434 346 T N 0.669 115.014 114.554 -0.349 0.000 2.833 346 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 346 T C 1.980 176.448 174.700 -0.386 0.000 1.054 346 T CA 1.246 63.200 62.100 -0.244 0.000 1.135 346 T CB -0.240 68.580 68.868 -0.080 0.000 0.869 346 T HN 0.170 nan 8.240 nan 0.000 0.466 347 R N 1.372 121.552 120.500 -0.533 0.000 2.070 347 R HA 0.043 4.383 4.340 -0.000 0.000 0.233 347 R C 2.327 178.274 176.300 -0.588 0.000 1.137 347 R CA 1.693 57.398 56.100 -0.658 0.000 0.945 347 R CB -1.318 28.238 30.300 -1.240 0.000 0.845 347 R HN 0.365 nan 8.270 nan 0.000 0.430 348 V N 1.140 120.584 119.914 -0.783 0.000 2.255 348 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 348 V C 2.453 178.309 176.094 -0.397 0.000 1.051 348 V CA 2.151 64.067 62.300 -0.640 0.000 1.018 348 V CB -0.580 30.635 31.823 -1.012 0.000 0.641 348 V HN 0.304 nan 8.190 nan 0.000 0.445 349 L N 0.362 121.283 121.223 -0.504 0.000 2.013 349 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 349 L C 2.606 179.149 176.870 -0.545 0.000 1.073 349 L CA 2.107 56.588 54.840 -0.598 0.000 0.753 349 L CB -0.843 40.687 42.059 -0.882 0.000 0.890 349 L HN 0.478 nan 8.230 nan 0.000 0.432 350 N N -0.135 118.382 118.700 -0.306 0.000 2.069 350 N HA -0.289 4.451 4.740 -0.000 0.000 0.191 350 N C 2.061 177.485 175.510 -0.143 0.000 1.031 350 N CA 1.926 54.921 53.050 -0.093 0.000 0.852 350 N CB -0.160 38.268 38.487 -0.099 0.000 1.018 350 N HN 0.400 nan 8.380 nan 0.000 0.423 351 Y N 1.651 121.772 120.300 -0.299 0.000 2.242 351 Y HA -0.085 4.465 4.550 -0.000 0.000 0.291 351 Y C 2.382 178.110 175.900 -0.286 0.000 1.137 351 Y CA 1.960 59.869 58.100 -0.320 0.000 1.181 351 Y CB -0.745 37.528 38.460 -0.312 0.000 0.989 351 Y HN -0.020 nan 8.280 nan 0.000 0.527 352 T N 1.163 115.483 114.554 -0.389 0.000 2.684 352 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 352 T C 1.757 176.218 174.700 -0.398 0.000 1.036 352 T CA 2.007 63.856 62.100 -0.420 0.000 1.148 352 T CB -0.191 68.569 68.868 -0.180 0.000 0.863 352 T HN 0.283 nan 8.240 nan 0.000 0.436 353 M N 1.428 120.842 119.600 -0.309 0.000 2.334 353 M HA 0.072 4.552 4.480 -0.000 0.000 0.266 353 M C 2.586 178.772 176.300 -0.191 0.000 1.082 353 M CA 1.278 56.458 55.300 -0.200 0.000 1.141 353 M CB -1.648 30.921 32.600 -0.052 0.000 1.380 353 M HN 0.454 nan 8.290 nan 0.000 0.440 354 T N -3.370 111.052 114.554 -0.219 0.000 3.037 354 T HA 0.208 4.558 4.350 -0.000 0.000 0.251 354 T C 1.615 176.109 174.700 -0.343 0.000 1.079 354 T CA 0.281 62.252 62.100 -0.215 0.000 1.067 354 T CB 0.025 68.812 68.868 -0.134 0.000 0.948 354 T HN 0.089 nan 8.240 nan 0.000 0.496 355 V N 0.712 120.330 119.914 -0.494 0.000 3.054 355 V HA 0.460 4.580 4.120 -0.000 0.000 0.227 355 V C 2.981 178.736 176.094 -0.566 0.000 1.252 355 V CA 0.580 62.536 62.300 -0.573 0.000 1.279 355 V CB -0.643 30.688 31.823 -0.820 0.000 1.118 355 V HN 0.461 nan 8.190 nan 0.000 0.504 356 A N 0.037 122.394 122.820 -0.773 0.000 1.933 356 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 356 A C 1.998 179.383 177.584 -0.331 0.000 1.175 356 A CA 1.726 53.422 52.037 -0.568 0.000 0.628 356 A CB -0.558 18.087 19.000 -0.591 0.000 0.814 356 A HN 0.387 nan 8.150 nan 0.000 0.444 357 L N -0.258 120.766 121.223 -0.332 0.000 2.549 357 L HA -0.020 4.320 4.340 -0.000 0.000 0.230 357 L C 2.081 178.809 176.870 -0.236 0.000 1.162 357 L CA 1.322 56.017 54.840 -0.242 0.000 0.834 357 L CB -0.716 41.208 42.059 -0.225 0.000 0.947 357 L HN 0.352 nan 8.230 nan 0.000 0.452 358 R N -0.829 119.482 120.500 -0.316 0.000 2.300 358 R HA 0.403 4.743 4.340 -0.000 0.000 0.199 358 R C 0.489 176.677 176.300 -0.186 0.000 0.920 358 R CA 0.501 56.389 56.100 -0.355 0.000 1.046 358 R CB 0.171 30.005 30.300 -0.776 0.000 0.984 358 R HN 0.364 nan 8.270 nan 0.000 0.493 359 G N -0.801 107.942 108.800 -0.095 0.000 2.375 359 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.663 359 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.663 359 G C -0.492 174.456 174.900 0.080 0.000 1.391 359 G CA -0.667 44.447 45.100 0.024 0.000 0.949 359 G HN 0.081 nan 8.290 nan 0.000 0.646 360 Y N 0.610 120.928 120.300 0.030 0.000 2.070 360 Y HA -0.139 4.411 4.550 -0.000 0.000 0.280 360 Y C 2.506 178.457 175.900 0.086 0.000 1.148 360 Y CA 2.845 60.976 58.100 0.051 0.000 1.125 360 Y CB 0.054 38.541 38.460 0.045 0.000 0.975 360 Y HN 0.591 nan 8.280 nan 0.000 0.492 361 D N -0.738 119.738 120.400 0.126 0.000 2.092 361 D HA -0.265 4.375 4.640 -0.000 0.000 0.193 361 D C 2.001 178.313 176.300 0.019 0.000 0.994 361 D CA 1.893 55.929 54.000 0.060 0.000 0.828 361 D CB -1.086 39.804 40.800 0.149 0.000 0.963 361 D HN 0.513 nan 8.370 nan 0.000 0.450 362 Y N 1.479 121.754 120.300 -0.041 0.000 2.102 362 Y HA -0.331 4.219 4.550 -0.000 0.000 0.280 362 Y C 2.282 178.144 175.900 -0.064 0.000 1.178 362 Y CA 2.328 60.403 58.100 -0.042 0.000 1.146 362 Y CB -0.211 38.217 38.460 -0.053 0.000 0.968 362 Y HN -0.020 nan 8.280 nan 0.000 0.504 363 A N -0.292 122.596 122.820 0.113 0.000 1.969 363 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 363 A C 2.104 179.637 177.584 -0.085 0.000 1.169 363 A CA 1.578 53.639 52.037 0.040 0.000 0.635 363 A CB -0.504 18.451 19.000 -0.076 0.000 0.810 363 A HN 0.628 nan 8.150 nan 0.000 0.445 364 Q N -0.439 119.228 119.800 -0.221 0.000 2.020 364 Q HA -0.245 4.095 4.340 -0.000 0.000 0.198 364 Q C 2.388 178.360 176.000 -0.047 0.000 0.974 364 Q CA 1.744 57.432 55.803 -0.193 0.000 0.829 364 Q CB -0.361 28.279 28.738 -0.164 0.000 0.894 364 Q HN 0.982 nan 8.270 nan 0.000 0.433 365 Q N 0.106 119.866 119.800 -0.068 0.000 2.065 365 Q HA -0.305 4.035 4.340 -0.000 0.000 0.213 365 Q C 1.949 177.868 176.000 -0.135 0.000 1.012 365 Q CA 2.360 58.102 55.803 -0.100 0.000 0.876 365 Q CB -1.180 27.413 28.738 -0.242 0.000 0.954 365 Q HN 0.425 nan 8.270 nan 0.000 0.413 366 Y N 1.015 121.119 120.300 -0.325 0.000 2.097 366 Y HA -0.207 4.343 4.550 -0.000 0.000 0.282 366 Y C 2.005 177.752 175.900 -0.255 0.000 1.152 366 Y CA 2.069 60.005 58.100 -0.273 0.000 1.136 366 Y CB -0.252 38.110 38.460 -0.164 0.000 0.975 366 Y HN 0.163 nan 8.280 nan 0.000 0.498 367 L N -1.258 119.794 121.223 -0.285 0.000 2.083 367 L HA -0.261 4.079 4.340 -0.000 0.000 0.209 367 L C 2.194 178.742 176.870 -0.537 0.000 1.083 367 L CA 1.381 55.836 54.840 -0.642 0.000 0.752 367 L CB -0.740 40.435 42.059 -1.473 0.000 0.899 367 L HN 0.283 nan 8.230 nan 0.000 0.433 368 Y N -0.197 119.944 120.300 -0.265 0.000 2.133 368 Y HA -0.241 4.309 4.550 -0.000 0.000 0.287 368 Y C 2.873 178.656 175.900 -0.195 0.000 1.134 368 Y CA 1.525 59.571 58.100 -0.091 0.000 1.133 368 Y CB -0.427 38.013 38.460 -0.033 0.000 0.987 368 Y HN 0.025 nan 8.280 nan 0.000 0.502 369 R N 0.121 120.550 120.500 -0.119 0.000 2.127 369 R HA -0.220 4.120 4.340 -0.000 0.000 0.238 369 R C 2.343 178.426 176.300 -0.362 0.000 1.134 369 R CA 1.505 57.477 56.100 -0.214 0.000 0.975 369 R CB -0.353 29.805 30.300 -0.236 0.000 0.865 369 R HN 0.382 nan 8.270 nan 0.000 0.447 370 M N 0.448 119.713 119.600 -0.559 0.000 2.115 370 M HA -0.250 4.230 4.480 -0.000 0.000 0.258 370 M C 1.909 177.854 176.300 -0.591 0.000 1.071 370 M CA 1.931 56.806 55.300 -0.707 0.000 1.100 370 M CB -0.232 31.929 32.600 -0.732 0.000 1.292 370 M HN 0.275 nan 8.290 nan 0.000 0.415 371 L N -0.409 120.637 121.223 -0.295 0.000 2.021 371 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 371 L C 2.635 179.426 176.870 -0.133 0.000 1.074 371 L CA 1.623 56.386 54.840 -0.128 0.000 0.760 371 L CB -1.754 40.252 42.059 -0.088 0.000 0.889 371 L HN 0.556 nan 8.230 nan 0.000 0.433 372 G N -0.494 108.212 108.800 -0.157 0.000 2.422 372 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 372 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 372 G C 1.785 176.673 174.900 -0.021 0.000 1.146 372 G CA 0.452 45.499 45.100 -0.087 0.000 0.769 372 G HN 0.277 nan 8.290 nan 0.000 0.547 373 R N -0.875 119.568 120.500 -0.096 0.000 2.075 373 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 373 R C 2.320 178.713 176.300 0.155 0.000 1.126 373 R CA 1.158 57.250 56.100 -0.012 0.000 0.963 373 R CB -0.435 29.793 30.300 -0.120 0.000 0.858 373 R HN 0.554 nan 8.270 nan 0.000 0.435 374 Y N 0.090 120.400 120.300 0.016 0.000 2.181 374 Y HA -0.211 4.339 4.550 -0.000 0.000 0.288 374 Y C 2.661 178.568 175.900 0.011 0.000 1.146 374 Y CA 0.649 58.754 58.100 0.008 0.000 1.164 374 Y CB -0.016 38.423 38.460 -0.035 0.000 0.982 374 Y HN 0.062 nan 8.280 nan 0.000 0.515 375 R N -0.703 119.896 120.500 0.165 0.000 2.073 375 R HA -0.218 4.122 4.340 -0.000 0.000 0.234 375 R C 2.149 178.508 176.300 0.098 0.000 1.134 375 R CA 1.842 57.994 56.100 0.087 0.000 0.952 375 R CB -0.716 29.615 30.300 0.052 0.000 0.850 375 R HN 0.392 nan 8.270 nan 0.000 0.433 376 Y N 1.717 122.031 120.300 0.022 0.000 2.181 376 Y HA -0.314 4.236 4.550 -0.000 0.000 0.288 376 Y C 2.765 178.690 175.900 0.042 0.000 1.146 376 Y CA 1.956 60.071 58.100 0.026 0.000 1.164 376 Y CB -0.045 38.434 38.460 0.031 0.000 0.982 376 Y HN 0.124 nan 8.280 nan 0.000 0.515 377 Q N 0.080 119.972 119.800 0.152 0.000 2.050 377 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 377 Q C 2.341 178.338 176.000 -0.005 0.000 0.980 377 Q CA 1.612 57.462 55.803 0.078 0.000 0.840 377 Q CB -0.377 28.465 28.738 0.172 0.000 0.898 377 Q HN 0.571 nan 8.270 nan 0.000 0.424 378 A N 1.025 123.854 122.820 0.016 0.000 1.877 378 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 378 A C 2.324 179.884 177.584 -0.040 0.000 1.186 378 A CA 1.835 53.865 52.037 -0.012 0.000 0.620 378 A CB -1.068 17.924 19.000 -0.014 0.000 0.822 378 A HN 0.579 nan 8.150 nan 0.000 0.443 379 A N -0.589 122.188 122.820 -0.073 0.000 2.070 379 A HA -0.002 4.318 4.320 -0.000 0.000 0.220 379 A C 2.083 179.620 177.584 -0.079 0.000 1.159 379 A CA 1.312 53.326 52.037 -0.039 0.000 0.656 379 A CB -0.533 18.398 19.000 -0.116 0.000 0.800 379 A HN 0.494 nan 8.150 nan 0.000 0.453 380 L N -0.328 120.789 121.223 -0.177 0.000 2.141 380 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 380 L C 2.848 179.669 176.870 -0.081 0.000 1.094 380 L CA 1.690 56.425 54.840 -0.174 0.000 0.763 380 L CB -0.343 41.587 42.059 -0.216 0.000 0.908 380 L HN 0.708 nan 8.230 nan 0.000 0.437 381 E N 0.403 120.567 120.200 -0.059 0.000 2.083 381 E HA 0.074 4.424 4.350 -0.000 0.000 0.193 381 E C 0.725 177.309 176.600 -0.026 0.000 0.950 381 E CA 1.171 57.544 56.400 -0.044 0.000 0.849 381 E CB -0.108 29.560 29.700 -0.055 0.000 0.827 381 E HN 0.378 nan 8.360 nan 0.000 0.465 382 N N 0.000 118.688 118.700 -0.019 0.000 1.763 382 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 382 N CA 0.000 nan 53.050 nan 0.000 0.885 382 N CB 0.000 nan 38.487 nan 0.000 1.341 382 N HN 0.000 nan 8.380 nan 0.000 0.667