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 2bo7_1_C 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 PEGKAHRLXX XXXDLRTMLV 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 0.000 174.376 174.600 -0.373 0.000 1.055 2 S CA 0.000 58.099 58.200 -0.168 0.000 1.107 2 S CB 0.000 63.182 63.200 -0.030 0.000 0.593 3 L N 2.295 123.419 121.223 -0.165 0.000 2.289 3 L HA 0.811 5.151 4.340 0.000 0.000 0.285 3 L C -1.130 175.629 176.870 -0.185 0.000 1.049 3 L CA -0.194 54.550 54.840 -0.160 0.000 0.804 3 L CB 1.214 43.339 42.059 0.110 0.000 1.195 3 L HN 0.521 nan 8.230 nan 0.000 0.428 4 V N 5.897 125.676 119.914 -0.225 0.000 2.417 4 V HA 0.532 4.652 4.120 0.000 0.000 0.291 4 V C -0.460 175.405 176.094 -0.382 0.000 1.024 4 V CA -0.606 61.508 62.300 -0.311 0.000 0.861 4 V CB 1.847 33.480 31.823 -0.317 0.000 0.985 4 V HN 0.557 nan 8.190 nan 0.000 0.436 5 V N 5.540 125.132 119.914 -0.536 0.000 2.495 5 V HA 0.545 4.665 4.120 0.000 0.000 0.298 5 V C -0.864 174.978 176.094 -0.420 0.000 1.031 5 V CA -0.512 61.536 62.300 -0.420 0.000 0.871 5 V CB 1.764 33.275 31.823 -0.520 0.000 0.988 5 V HN 0.707 nan 8.190 nan 0.000 0.432 6 F N 6.188 126.185 119.950 0.077 0.000 2.382 6 F HA 0.477 5.004 4.527 0.000 0.000 0.361 6 F C -2.222 173.718 175.800 0.234 0.000 1.109 6 F CA -2.383 55.699 58.000 0.135 0.000 1.031 6 F CB 2.030 41.056 39.000 0.043 0.000 1.234 6 F HN 0.294 nan 8.300 nan 0.000 0.445 7 P HA 0.232 nan 4.420 nan 0.000 0.287 7 P C -1.077 176.421 177.300 0.329 0.000 1.281 7 P CA -0.180 63.096 63.100 0.293 0.000 0.781 7 P CB 0.758 32.580 31.700 0.204 0.000 0.903 8 F N 1.549 121.560 119.950 0.102 0.000 2.576 8 F HA 0.692 5.219 4.527 0.000 0.000 0.313 8 F C 0.436 176.246 175.800 0.016 0.000 1.078 8 F CA -1.143 56.893 58.000 0.060 0.000 0.921 8 F CB 1.910 40.941 39.000 0.051 0.000 1.232 8 F HN 0.186 nan 8.300 nan 0.000 0.459 9 K N 0.063 120.464 120.400 0.003 0.000 2.758 9 K HA 0.306 4.626 4.320 0.000 0.000 0.247 9 K C -0.537 175.926 176.600 -0.228 0.000 1.155 9 K CA -0.281 55.840 56.287 -0.275 0.000 1.011 9 K CB 0.254 32.482 32.500 -0.453 0.000 1.633 9 K HN 0.752 nan 8.250 nan 0.000 0.438 10 H N 1.221 120.352 119.070 0.102 0.000 2.638 10 H HA 0.418 4.974 4.556 0.000 0.000 0.317 10 H C -1.096 174.254 175.328 0.037 0.000 1.006 10 H CA -0.398 55.699 56.048 0.081 0.000 1.222 10 H CB 1.693 31.460 29.762 0.008 0.000 1.419 10 H HN 0.298 nan 8.280 nan 0.000 0.489 11 E N 0.816 121.093 120.200 0.128 0.000 2.408 11 E HA 0.247 4.597 4.350 0.000 0.000 0.275 11 E C -1.080 175.465 176.600 -0.093 0.000 0.935 11 E CA -0.821 55.577 56.400 -0.003 0.000 0.775 11 E CB 1.566 31.300 29.700 0.056 0.000 1.277 11 E HN 0.536 nan 8.360 nan 0.000 0.455 12 H N 2.592 121.669 119.070 0.011 0.000 2.975 12 H HA 0.070 4.626 4.556 0.000 0.000 0.303 12 H C -1.641 173.650 175.328 -0.061 0.000 1.023 12 H CA -1.005 55.032 56.048 -0.018 0.000 1.473 12 H CB 0.574 30.320 29.762 -0.025 0.000 1.498 12 H HN 0.330 nan 8.280 nan 0.000 0.549 13 P HA -0.242 nan 4.420 nan 0.000 0.216 13 P C 0.985 178.248 177.300 -0.062 0.000 1.157 13 P CA 1.452 64.520 63.100 -0.053 0.000 0.880 13 P CB 0.363 32.044 31.700 -0.032 0.000 0.791 14 E N -0.689 119.498 120.200 -0.021 0.000 2.110 14 E HA -0.117 4.233 4.350 0.000 0.000 0.193 14 E C 1.989 178.564 176.600 -0.042 0.000 0.988 14 E CA 0.863 57.240 56.400 -0.037 0.000 0.804 14 E CB -1.703 27.973 29.700 -0.040 0.000 0.745 14 E HN 0.063 nan 8.360 nan 0.000 0.458 15 V N 1.016 120.911 119.914 -0.032 0.000 2.255 15 V HA -0.245 3.875 4.120 0.000 0.000 0.247 15 V C 2.207 178.235 176.094 -0.110 0.000 1.051 15 V CA 1.808 64.082 62.300 -0.043 0.000 1.018 15 V CB -0.584 31.239 31.823 0.001 0.000 0.641 15 V HN 0.230 nan 8.190 nan 0.000 0.445 16 L N -0.383 120.733 121.223 -0.178 0.000 2.056 16 L HA -0.093 4.247 4.340 0.000 0.000 0.207 16 L C 2.183 178.825 176.870 -0.381 0.000 1.078 16 L CA 1.761 56.389 54.840 -0.353 0.000 0.749 16 L CB -0.655 41.170 42.059 -0.390 0.000 0.901 16 L HN 0.204 nan 8.230 nan 0.000 0.433 17 L N -0.881 120.196 121.223 -0.244 0.000 2.079 17 L HA -0.266 4.074 4.340 0.000 0.000 0.210 17 L C 2.704 179.480 176.870 -0.157 0.000 1.081 17 L CA 1.593 56.316 54.840 -0.195 0.000 0.752 17 L CB -0.958 41.028 42.059 -0.122 0.000 0.896 17 L HN 0.524 nan 8.230 nan 0.000 0.433 18 H N 0.760 119.715 119.070 -0.190 0.000 2.293 18 H HA -0.164 4.392 4.556 0.000 0.000 0.300 18 H C 1.934 177.170 175.328 -0.153 0.000 1.082 18 H CA 1.960 57.922 56.048 -0.143 0.000 1.308 18 H CB 0.194 29.886 29.762 -0.117 0.000 1.375 18 H HN 0.360 nan 8.280 nan 0.000 0.495 19 N N 0.552 119.037 118.700 -0.359 0.000 2.104 19 N HA -0.133 4.607 4.740 0.000 0.000 0.190 19 N C 2.237 177.479 175.510 -0.446 0.000 1.024 19 N CA 1.146 53.905 53.050 -0.485 0.000 0.853 19 N CB -0.584 37.357 38.487 -0.911 0.000 1.008 19 N HN 0.191 nan 8.380 nan 0.000 0.424 20 V N 1.167 120.760 119.914 -0.534 0.000 2.343 20 V HA -0.190 3.931 4.120 0.000 0.000 0.247 20 V C 2.507 178.546 176.094 -0.093 0.000 1.051 20 V CA 1.488 63.642 62.300 -0.243 0.000 1.036 20 V CB -0.396 31.283 31.823 -0.239 0.000 0.654 20 V HN 0.216 nan 8.190 nan 0.000 0.451 21 R N -0.548 119.861 120.500 -0.152 0.000 2.075 21 R HA -0.107 4.233 4.340 0.000 0.000 0.232 21 R C 2.225 178.463 176.300 -0.104 0.000 1.126 21 R CA 1.310 57.343 56.100 -0.112 0.000 0.963 21 R CB -0.410 29.818 30.300 -0.120 0.000 0.858 21 R HN 0.381 nan 8.270 nan 0.000 0.435 22 V N 0.640 120.453 119.914 -0.169 0.000 2.255 22 V HA -0.297 3.823 4.120 0.000 0.000 0.247 22 V C 2.343 178.452 176.094 0.026 0.000 1.051 22 V CA 2.115 64.348 62.300 -0.111 0.000 1.018 22 V CB -0.771 30.952 31.823 -0.167 0.000 0.641 22 V HN 0.523 nan 8.190 nan 0.000 0.445 23 A N -0.218 122.692 122.820 0.150 0.000 1.908 23 A HA -0.155 4.165 4.320 0.000 0.000 0.218 23 A C 2.387 180.005 177.584 0.057 0.000 1.181 23 A CA 2.274 54.397 52.037 0.142 0.000 0.627 23 A CB -0.816 18.332 19.000 0.247 0.000 0.818 23 A HN 0.614 nan 8.150 nan 0.000 0.445 24 A N -0.424 122.420 122.820 0.040 0.000 1.969 24 A HA 0.245 4.565 4.320 0.000 0.000 0.218 24 A C 2.367 179.959 177.584 0.013 0.000 1.169 24 A CA 1.754 53.800 52.037 0.015 0.000 0.635 24 A CB -0.783 18.222 19.000 0.008 0.000 0.810 24 A HN 1.073 nan 8.150 nan 0.000 0.445 25 A N -1.537 121.287 122.820 0.007 0.000 2.168 25 A HA -0.007 4.313 4.320 0.000 0.000 0.215 25 A C 1.198 178.780 177.584 -0.005 0.000 1.152 25 A CA 0.246 52.278 52.037 -0.009 0.000 0.716 25 A CB -0.590 18.389 19.000 -0.034 0.000 0.794 25 A HN 0.605 nan 8.150 nan 0.000 0.465 26 H N 1.002 120.029 119.070 -0.070 0.000 2.848 26 H HA 0.125 4.681 4.556 0.000 0.000 0.317 26 H C -1.567 173.713 175.328 -0.080 0.000 1.046 26 H CA -1.432 54.568 56.048 -0.081 0.000 1.470 26 H CB 1.289 30.988 29.762 -0.105 0.000 1.483 26 H HN 0.117 nan 8.280 nan 0.000 0.548 27 P HA -0.091 nan 4.420 nan 0.000 0.225 27 P C 0.752 178.100 177.300 0.080 0.000 1.148 27 P CA 1.076 64.182 63.100 0.010 0.000 0.779 27 P CB 0.288 31.953 31.700 -0.059 0.000 0.780 28 R N -0.740 119.908 120.500 0.247 0.000 2.334 28 R HA 0.201 4.541 4.340 0.000 0.000 0.216 28 R C 0.139 176.207 176.300 -0.388 0.000 0.905 28 R CA -0.049 56.026 56.100 -0.042 0.000 1.064 28 R CB 0.496 30.834 30.300 0.064 0.000 1.046 28 R HN 0.055 nan 8.270 nan 0.000 0.508 29 V N 1.881 121.617 119.914 -0.298 0.000 2.383 29 V HA 0.088 4.208 4.120 0.000 0.000 0.275 29 V C 0.602 176.442 176.094 -0.423 0.000 1.036 29 V CA -0.397 61.663 62.300 -0.399 0.000 0.889 29 V CB 1.291 32.968 31.823 -0.242 0.000 0.985 29 V HN 0.272 nan 8.190 nan 0.000 0.459 30 H N 2.710 121.522 119.070 -0.430 0.000 2.648 30 H HA 0.385 4.941 4.556 0.000 0.000 0.265 30 H C 0.542 175.577 175.328 -0.487 0.000 0.961 30 H CA 0.217 55.916 56.048 -0.582 0.000 1.185 30 H CB 1.031 30.082 29.762 -1.185 0.000 1.449 30 H HN 0.711 nan 8.280 nan 0.000 0.523 31 E N 0.369 120.370 120.200 -0.332 0.000 2.378 31 E HA 0.374 4.724 4.350 0.000 0.000 0.283 31 E C -1.698 174.868 176.600 -0.056 0.000 0.979 31 E CA -0.421 55.931 56.400 -0.080 0.000 0.795 31 E CB 2.466 32.239 29.700 0.122 0.000 1.221 31 E HN -0.166 nan 8.360 nan 0.000 0.428 32 V N 3.708 123.633 119.914 0.018 0.000 2.555 32 V HA 0.555 4.676 4.120 0.000 0.000 0.302 32 V C -0.727 175.396 176.094 0.048 0.000 1.038 32 V CA -0.789 61.528 62.300 0.029 0.000 0.887 32 V CB 1.510 33.380 31.823 0.078 0.000 0.991 32 V HN 0.567 nan 8.190 nan 0.000 0.434 33 L N 5.386 126.628 121.223 0.031 0.000 2.409 33 L HA 0.704 5.044 4.340 0.000 0.000 0.272 33 L C -0.698 176.224 176.870 0.086 0.000 0.980 33 L CA 0.139 54.983 54.840 0.006 0.000 0.826 33 L CB 1.505 43.519 42.059 -0.074 0.000 1.268 33 L HN 0.758 nan 8.230 nan 0.000 0.407 34 C N 5.760 125.131 119.300 0.117 0.000 2.295 34 C HA 0.594 5.054 4.460 0.000 0.000 0.331 34 C C 0.229 175.379 174.990 0.266 0.000 1.280 34 C CA -0.890 58.287 59.018 0.265 0.000 1.746 34 C CB 0.073 27.946 27.740 0.222 0.000 2.328 34 C HN 0.627 nan 8.230 nan 0.000 0.521 35 I N 3.135 123.866 120.570 0.269 0.000 2.355 35 I HA 0.466 4.636 4.170 0.000 0.000 0.288 35 I C 0.777 176.745 176.117 -0.249 0.000 0.999 35 I CA 0.334 61.682 61.300 0.081 0.000 1.163 35 I CB 1.284 39.332 38.000 0.079 0.000 1.316 35 I HN 0.858 nan 8.210 nan 0.000 0.454 36 G N 3.679 112.216 108.800 -0.440 0.000 2.410 36 G HA2 0.213 4.174 3.960 0.000 0.000 0.330 36 G HA3 0.213 4.174 3.960 0.000 0.000 0.330 36 G C -0.198 174.457 174.900 -0.408 0.000 1.142 36 G CA -0.258 44.213 45.100 -1.050 0.000 0.902 36 G HN 0.622 nan 8.290 nan 0.000 0.491 37 Y N 0.604 120.590 120.300 -0.524 0.000 2.153 37 Y HA 0.123 4.673 4.550 0.000 0.000 0.289 37 Y C 1.311 177.079 175.900 -0.220 0.000 1.119 37 Y CA 1.761 59.673 58.100 -0.313 0.000 1.116 37 Y CB 0.277 38.538 38.460 -0.332 0.000 1.004 37 Y HN 0.644 nan 8.280 nan 0.000 0.501 38 E N -0.261 119.872 120.200 -0.112 0.000 2.445 38 E HA 0.260 4.610 4.350 0.000 0.000 0.273 38 E C -0.935 175.588 176.600 -0.129 0.000 0.961 38 E CA -1.146 55.149 56.400 -0.175 0.000 0.807 38 E CB 1.171 30.834 29.700 -0.060 0.000 1.362 38 E HN 0.094 nan 8.360 nan 0.000 0.453 39 R N 1.560 121.914 120.500 -0.245 0.000 3.701 39 R HA 0.068 4.408 4.340 0.000 0.000 0.210 39 R C -0.632 175.646 176.300 -0.037 0.000 1.598 39 R CA -0.071 55.807 56.100 -0.371 0.000 1.427 39 R CB -0.435 29.582 30.300 -0.472 0.000 1.339 39 R HN 0.485 nan 8.270 nan 0.000 0.720 40 D N 0.225 120.718 120.400 0.154 0.000 2.511 40 D HA -0.031 4.609 4.640 0.000 0.000 0.283 40 D C 0.681 177.111 176.300 0.216 0.000 1.198 40 D CA -0.242 53.876 54.000 0.197 0.000 1.097 40 D CB 0.326 41.296 40.800 0.283 0.000 1.160 40 D HN 0.178 nan 8.370 nan 0.000 0.589 41 Q N -1.046 118.861 119.800 0.178 0.000 2.049 41 Q HA -0.071 4.269 4.340 0.000 0.000 0.198 41 Q C 2.077 178.160 176.000 0.137 0.000 0.971 41 Q CA 1.964 57.848 55.803 0.134 0.000 0.833 41 Q CB -0.311 28.477 28.738 0.084 0.000 0.896 41 Q HN 0.576 nan 8.270 nan 0.000 0.434 42 T N 0.357 115.003 114.554 0.153 0.000 2.620 42 T HA -0.287 4.064 4.350 0.000 0.000 0.267 42 T C 1.436 176.168 174.700 0.052 0.000 1.044 42 T CA 1.846 63.980 62.100 0.058 0.000 1.161 42 T CB -0.713 68.210 68.868 0.092 0.000 0.862 42 T HN 0.360 nan 8.240 nan 0.000 0.438 43 Y N 1.891 122.309 120.300 0.196 0.000 2.097 43 Y HA -0.191 4.360 4.550 0.000 0.000 0.282 43 Y C 2.467 178.425 175.900 0.096 0.000 1.152 43 Y CA 1.788 60.038 58.100 0.250 0.000 1.136 43 Y CB -0.317 38.323 38.460 0.301 0.000 0.975 43 Y HN 0.326 nan 8.280 nan 0.000 0.498 44 E N -0.294 120.107 120.200 0.336 0.000 2.106 44 E HA -0.184 4.166 4.350 0.000 0.000 0.192 44 E C 2.356 178.997 176.600 0.068 0.000 0.984 44 E CA 0.828 57.352 56.400 0.208 0.000 0.806 44 E CB -0.346 29.453 29.700 0.163 0.000 0.750 44 E HN 0.567 nan 8.360 nan 0.000 0.458 45 A N 0.980 123.818 122.820 0.030 0.000 1.873 45 A HA -0.211 4.109 4.320 0.000 0.000 0.218 45 A C 2.529 180.065 177.584 -0.080 0.000 1.193 45 A CA 1.689 53.709 52.037 -0.027 0.000 0.629 45 A CB -0.924 18.050 19.000 -0.043 0.000 0.826 45 A HN 0.136 nan 8.150 nan 0.000 0.447 46 V N -0.127 119.695 119.914 -0.155 0.000 2.295 46 V HA -0.289 3.831 4.120 0.000 0.000 0.246 46 V C 2.521 178.524 176.094 -0.152 0.000 1.049 46 V CA 2.391 64.567 62.300 -0.207 0.000 1.024 46 V CB -0.870 30.746 31.823 -0.344 0.000 0.648 46 V HN 0.759 nan 8.190 nan 0.000 0.447 47 E N -0.089 120.024 120.200 -0.145 0.000 2.118 47 E HA -0.261 4.089 4.350 0.000 0.000 0.195 47 E C 2.476 179.058 176.600 -0.030 0.000 0.992 47 E CA 1.379 57.730 56.400 -0.083 0.000 0.804 47 E CB -0.055 29.640 29.700 -0.008 0.000 0.741 47 E HN 0.458 nan 8.360 nan 0.000 0.458 48 R N -0.499 119.991 120.500 -0.017 0.000 2.066 48 R HA -0.075 4.265 4.340 0.000 0.000 0.232 48 R C 2.288 178.576 176.300 -0.020 0.000 1.131 48 R CA 1.174 57.270 56.100 -0.007 0.000 0.955 48 R CB -0.178 30.122 30.300 0.001 0.000 0.851 48 R HN 0.160 nan 8.270 nan 0.000 0.432 49 A N 0.579 123.376 122.820 -0.039 0.000 2.014 49 A HA -0.020 4.301 4.320 0.000 0.000 0.218 49 A C 2.242 179.803 177.584 -0.039 0.000 1.163 49 A CA 1.323 53.334 52.037 -0.042 0.000 0.652 49 A CB -0.434 18.529 19.000 -0.061 0.000 0.808 49 A HN 0.424 nan 8.150 nan 0.000 0.449 50 A N 0.779 123.571 122.820 -0.046 0.000 1.873 50 A HA -0.094 4.226 4.320 0.000 0.000 0.218 50 A C 0.283 177.860 177.584 -0.012 0.000 1.193 50 A CA 1.986 54.002 52.037 -0.035 0.000 0.629 50 A CB -1.765 17.210 19.000 -0.042 0.000 0.826 50 A HN 0.448 nan 8.150 nan 0.000 0.447 51 P HA -0.186 nan 4.420 nan 0.000 0.215 51 P C 1.540 178.842 177.300 0.004 0.000 1.157 51 P CA 1.445 64.549 63.100 0.006 0.000 0.874 51 P CB -0.040 31.665 31.700 0.009 0.000 0.790 52 E N -0.233 119.966 120.200 -0.003 0.000 2.031 52 E HA -0.152 4.198 4.350 0.000 0.000 0.193 52 E C 2.071 178.668 176.600 -0.005 0.000 0.994 52 E CA 1.155 57.553 56.400 -0.004 0.000 0.800 52 E CB -0.835 28.860 29.700 -0.008 0.000 0.752 52 E HN 0.194 nan 8.360 nan 0.000 0.447 53 I N 1.143 121.705 120.570 -0.013 0.000 2.163 53 I HA -0.318 3.852 4.170 0.000 0.000 0.243 53 I C 2.440 178.555 176.117 -0.002 0.000 1.085 53 I CA 1.668 62.959 61.300 -0.014 0.000 1.347 53 I CB -0.440 37.543 38.000 -0.028 0.000 1.044 53 I HN 0.090 nan 8.210 nan 0.000 0.408 54 S N 0.342 116.045 115.700 0.006 0.000 2.428 54 S HA -0.140 4.330 4.470 0.000 0.000 0.230 54 S C 2.032 176.645 174.600 0.022 0.000 1.014 54 S CA 0.521 58.733 58.200 0.020 0.000 0.957 54 S CB -0.396 62.823 63.200 0.031 0.000 0.784 54 S HN 0.384 nan 8.310 nan 0.000 0.499 55 R N 1.418 121.927 120.500 0.016 0.000 2.066 55 R HA 0.049 4.389 4.340 0.000 0.000 0.232 55 R C 2.520 178.828 176.300 0.013 0.000 1.131 55 R CA 1.309 57.419 56.100 0.016 0.000 0.955 55 R CB -0.672 29.635 30.300 0.012 0.000 0.851 55 R HN 0.511 nan 8.270 nan 0.000 0.432 56 A N -0.194 122.631 122.820 0.007 0.000 1.969 56 A HA -0.119 4.201 4.320 0.000 0.000 0.218 56 A C 1.960 179.547 177.584 0.005 0.000 1.169 56 A CA 1.929 53.968 52.037 0.004 0.000 0.635 56 A CB -0.377 18.621 19.000 -0.002 0.000 0.810 56 A HN 0.594 nan 8.150 nan 0.000 0.445 57 T N -5.834 108.725 114.554 0.007 0.000 3.001 57 T HA 0.421 4.771 4.350 0.000 0.000 0.251 57 T C 1.473 176.186 174.700 0.021 0.000 1.040 57 T CA 1.073 63.178 62.100 0.009 0.000 0.985 57 T CB 0.343 69.214 68.868 0.005 0.000 1.011 57 T HN 1.624 nan 8.240 nan 0.000 0.509 58 G N 1.905 110.721 108.800 0.027 0.000 2.184 58 G HA2 -0.261 3.700 3.960 0.000 0.000 0.264 58 G HA3 -0.261 3.700 3.960 0.000 0.000 0.264 58 G C 0.296 175.228 174.900 0.053 0.000 0.975 58 G CA 0.595 45.718 45.100 0.039 0.000 0.642 58 G HN 1.301 nan 8.290 nan 0.000 0.536 59 T N -0.102 114.481 114.554 0.047 0.000 2.771 59 T HA 0.677 5.027 4.350 0.000 0.000 0.281 59 T C -2.291 172.444 174.700 0.059 0.000 0.982 59 T CA -1.750 60.384 62.100 0.056 0.000 0.978 59 T CB 3.072 71.959 68.868 0.032 0.000 0.930 59 T HN 0.142 nan 8.240 nan 0.000 0.447 60 P HA 0.260 nan 4.420 nan 0.000 0.268 60 P C -0.806 176.542 177.300 0.080 0.000 1.205 60 P CA -0.325 62.833 63.100 0.096 0.000 0.771 60 P CB 0.741 32.531 31.700 0.150 0.000 0.858 61 V N 2.822 122.770 119.914 0.057 0.000 2.588 61 V HA 0.550 4.670 4.120 0.000 0.000 0.304 61 V C 0.222 176.329 176.094 0.022 0.000 1.042 61 V CA -0.310 62.012 62.300 0.036 0.000 0.877 61 V CB 1.843 33.672 31.823 0.011 0.000 0.996 61 V HN 0.842 nan 8.190 nan 0.000 0.425 62 S N 3.231 118.935 115.700 0.005 0.000 2.607 62 S HA 0.912 5.382 4.470 0.000 0.000 0.273 62 S C -1.086 173.477 174.600 -0.061 0.000 1.148 62 S CA -0.809 57.376 58.200 -0.025 0.000 0.833 62 S CB 2.068 65.261 63.200 -0.011 0.000 1.130 62 S HN 0.617 nan 8.310 nan 0.000 0.470 63 V N 0.440 120.300 119.914 -0.090 0.000 2.864 63 V HA 0.802 4.922 4.120 0.000 0.000 0.314 63 V C -0.344 175.732 176.094 -0.029 0.000 1.073 63 V CA -0.960 61.263 62.300 -0.129 0.000 0.956 63 V CB 1.433 32.989 31.823 -0.445 0.000 1.023 63 V HN 1.037 nan 8.190 nan 0.000 0.435 64 R N 2.029 122.570 120.500 0.069 0.000 2.707 64 R HA 0.589 4.930 4.340 0.000 0.000 0.272 64 R C -1.779 174.682 176.300 0.267 0.000 1.011 64 R CA -1.032 55.176 56.100 0.181 0.000 0.893 64 R CB 1.535 31.861 30.300 0.042 0.000 1.233 64 R HN 0.383 nan 8.270 nan 0.000 0.464 65 L N 2.764 124.115 121.223 0.213 0.000 2.461 65 L HA 0.066 4.406 4.340 0.000 0.000 0.272 65 L C 0.841 177.711 176.870 -0.001 0.000 1.197 65 L CA 0.232 55.097 54.840 0.042 0.000 0.836 65 L CB 0.273 42.287 42.059 -0.074 0.000 1.105 65 L HN 0.655 nan 8.230 nan 0.000 0.477 66 Q N 1.441 121.209 119.800 -0.053 0.000 2.392 66 Q HA 0.196 4.536 4.340 0.000 0.000 0.262 66 Q C -0.696 175.284 176.000 -0.033 0.000 1.003 66 Q CA -0.222 55.562 55.803 -0.032 0.000 0.888 66 Q CB 0.694 29.401 28.738 -0.050 0.000 1.260 66 Q HN 0.506 nan 8.270 nan 0.000 0.435 67 E N 0.920 121.126 120.200 0.011 0.000 2.283 67 E HA 0.245 4.595 4.350 0.000 0.000 0.267 67 E C -0.792 175.811 176.600 0.005 0.000 1.045 67 E CA -0.907 55.502 56.400 0.014 0.000 0.884 67 E CB 1.049 30.783 29.700 0.057 0.000 1.106 67 E HN 0.429 nan 8.360 nan 0.000 0.408 68 R N 2.497 122.994 120.500 -0.005 0.000 2.248 68 R HA 0.140 4.480 4.340 0.000 0.000 0.337 68 R C -0.239 176.068 176.300 0.011 0.000 1.106 68 R CA 0.287 56.380 56.100 -0.011 0.000 0.959 68 R CB -0.215 30.070 30.300 -0.026 0.000 1.075 68 R HN 0.600 nan 8.270 nan 0.000 0.480 69 L N 2.551 123.786 121.223 0.020 0.000 2.672 69 L HA 0.438 4.778 4.340 0.000 0.000 0.236 69 L C 1.200 178.069 176.870 -0.002 0.000 1.092 69 L CA 0.027 54.885 54.840 0.029 0.000 0.887 69 L CB 0.597 42.704 42.059 0.080 0.000 1.168 69 L HN 0.710 nan 8.230 nan 0.000 0.502 70 G N -0.301 108.492 108.800 -0.011 0.000 2.795 70 G HA2 0.428 4.388 3.960 0.000 0.000 0.267 70 G HA3 0.428 4.388 3.960 0.000 0.000 0.267 70 G C 0.460 175.346 174.900 -0.022 0.000 1.362 70 G CA 0.598 45.684 45.100 -0.024 0.000 1.048 70 G HN 0.063 nan 8.290 nan 0.000 0.547 71 T N -2.507 112.032 114.554 -0.024 0.000 3.087 71 T HA 0.371 4.721 4.350 0.000 0.000 0.283 71 T C 0.415 175.106 174.700 -0.016 0.000 0.956 71 T CA -0.200 61.889 62.100 -0.019 0.000 0.894 71 T CB 0.064 68.920 68.868 -0.019 0.000 1.160 71 T HN 0.147 nan 8.240 nan 0.000 0.532 72 L N 1.317 122.529 121.223 -0.019 0.000 2.970 72 L HA 0.581 4.921 4.340 0.000 0.000 0.214 72 L C 0.885 177.749 176.870 -0.011 0.000 1.317 72 L CA -1.343 53.490 54.840 -0.012 0.000 1.187 72 L CB 0.086 42.137 42.059 -0.013 0.000 2.155 72 L HN 0.185 nan 8.230 nan 0.000 0.554 73 R N 0.939 121.436 120.500 -0.005 0.000 2.570 73 R HA 0.117 4.457 4.340 0.000 0.000 0.277 73 R C -2.238 174.051 176.300 -0.020 0.000 1.039 73 R CA -1.172 54.927 56.100 -0.003 0.000 1.065 73 R CB 0.325 30.630 30.300 0.009 0.000 0.964 73 R HN 0.226 nan 8.270 nan 0.000 0.428 74 P HA 0.124 nan 4.420 nan 0.000 0.268 74 P C -0.689 176.629 177.300 0.029 0.000 1.485 74 P CA 0.075 63.177 63.100 0.004 0.000 1.102 74 P CB 1.135 32.843 31.700 0.012 0.000 1.501 75 G N 2.418 111.169 108.800 -0.081 0.000 3.291 75 G HA2 0.150 4.111 3.960 0.000 0.000 0.173 75 G HA3 0.150 4.111 3.960 0.000 0.000 0.173 75 G C 0.711 175.452 174.900 -0.265 0.000 1.099 75 G CA -0.329 44.645 45.100 -0.210 0.000 0.794 75 G HN 0.197 nan 8.290 nan 0.000 0.651 76 K N -0.201 119.894 120.400 -0.508 0.000 2.097 76 K HA -0.052 4.269 4.320 0.000 0.000 0.206 76 K C 2.390 178.839 176.600 -0.252 0.000 1.049 76 K CA 1.618 57.653 56.287 -0.420 0.000 0.933 76 K CB -0.770 31.348 32.500 -0.636 0.000 0.717 76 K HN 0.391 nan 8.250 nan 0.000 0.442 77 G N 1.340 109.992 108.800 -0.246 0.000 2.491 77 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 77 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 77 G C 1.118 175.968 174.900 -0.083 0.000 1.180 77 G CA 1.269 46.262 45.100 -0.179 0.000 0.774 77 G HN 0.325 nan 8.290 nan 0.000 0.562 78 D N 0.473 120.832 120.400 -0.067 0.000 2.149 78 D HA -0.059 4.581 4.640 0.000 0.000 0.198 78 D C 2.660 178.969 176.300 0.015 0.000 0.990 78 D CA 1.248 55.240 54.000 -0.013 0.000 0.839 78 D CB -0.753 40.031 40.800 -0.026 0.000 0.948 78 D HN 0.297 nan 8.370 nan 0.000 0.460 79 G N 0.405 109.195 108.800 -0.018 0.000 2.459 79 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 79 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 79 G C 1.672 176.630 174.900 0.097 0.000 1.183 79 G CA 0.708 45.817 45.100 0.014 0.000 0.776 79 G HN 0.226 nan 8.290 nan 0.000 0.552 80 M N 0.188 119.828 119.600 0.067 0.000 2.200 80 M HA 0.004 4.484 4.480 0.000 0.000 0.265 80 M C 2.318 178.785 176.300 0.278 0.000 1.066 80 M CA 1.090 56.472 55.300 0.136 0.000 1.127 80 M CB -0.303 32.219 32.600 -0.130 0.000 1.379 80 M HN 0.273 nan 8.290 nan 0.000 0.420 81 N N -0.665 118.174 118.700 0.233 0.000 2.331 81 N HA -0.092 4.648 4.740 0.000 0.000 0.180 81 N C 1.403 177.111 175.510 0.330 0.000 1.019 81 N CA 1.242 54.496 53.050 0.341 0.000 0.881 81 N CB 0.019 38.679 38.487 0.289 0.000 0.972 81 N HN 0.264 nan 8.380 nan 0.000 0.435 82 T N 0.556 115.252 114.554 0.236 0.000 2.746 82 T HA -0.115 4.235 4.350 0.000 0.000 0.267 82 T C 2.074 176.909 174.700 0.225 0.000 1.039 82 T CA 1.224 63.444 62.100 0.200 0.000 1.142 82 T CB -0.246 68.701 68.868 0.132 0.000 0.866 82 T HN 0.320 nan 8.240 nan 0.000 0.444 83 A N 1.222 124.203 122.820 0.269 0.000 1.877 83 A HA -0.006 4.314 4.320 0.000 0.000 0.216 83 A C 2.188 179.965 177.584 0.321 0.000 1.186 83 A CA 1.123 53.336 52.037 0.293 0.000 0.620 83 A CB -0.847 18.347 19.000 0.324 0.000 0.822 83 A HN 0.334 nan 8.150 nan 0.000 0.443 84 L N -0.163 121.267 121.223 0.346 0.000 1.990 84 L HA -0.198 4.142 4.340 0.000 0.000 0.213 84 L C 2.611 179.484 176.870 0.005 0.000 1.072 84 L CA 2.170 57.168 54.840 0.264 0.000 0.755 84 L CB -0.848 41.401 42.059 0.317 0.000 0.889 84 L HN 0.444 nan 8.230 nan 0.000 0.432 85 R N -1.748 118.631 120.500 -0.203 0.000 2.070 85 R HA -0.253 4.087 4.340 0.000 0.000 0.233 85 R C 2.426 178.662 176.300 -0.106 0.000 1.137 85 R CA 2.045 57.871 56.100 -0.457 0.000 0.945 85 R CB -0.715 29.457 30.300 -0.213 0.000 0.845 85 R HN 0.380 nan 8.270 nan 0.000 0.430 86 Y N 0.638 120.929 120.300 -0.016 0.000 2.114 86 Y HA -0.333 4.217 4.550 0.000 0.000 0.282 86 Y C 2.061 178.007 175.900 0.076 0.000 1.165 86 Y CA 2.213 60.337 58.100 0.040 0.000 1.148 86 Y CB -0.776 37.739 38.460 0.091 0.000 0.972 86 Y HN 0.164 nan 8.280 nan 0.000 0.504 87 F N 0.356 120.316 119.950 0.016 0.000 2.065 87 F HA -0.274 4.253 4.527 0.000 0.000 0.298 87 F C 1.881 177.593 175.800 -0.147 0.000 1.112 87 F CA 2.101 60.082 58.000 -0.031 0.000 1.212 87 F CB -0.794 38.244 39.000 0.063 0.000 0.975 87 F HN 0.093 nan 8.300 nan 0.000 0.476 88 L N -0.368 120.679 121.223 -0.293 0.000 2.109 88 L HA -0.115 4.225 4.340 0.000 0.000 0.207 88 L C 2.215 178.874 176.870 -0.351 0.000 1.086 88 L CA 1.556 56.146 54.840 -0.416 0.000 0.760 88 L CB -0.540 41.362 42.059 -0.261 0.000 0.910 88 L HN 0.178 nan 8.230 nan 0.000 0.437 89 E N -0.721 119.301 120.200 -0.298 0.000 2.364 89 E HA -0.029 4.321 4.350 0.000 0.000 0.196 89 E C 0.935 177.370 176.600 -0.275 0.000 0.990 89 E CA 0.284 56.542 56.400 -0.236 0.000 0.886 89 E CB 0.497 30.104 29.700 -0.155 0.000 0.866 89 E HN 0.443 nan 8.360 nan 0.000 0.493 90 E N 0.217 120.169 120.200 -0.414 0.000 2.676 90 E HA 0.047 4.398 4.350 0.000 0.000 0.222 90 E C -0.142 176.131 176.600 -0.546 0.000 0.968 90 E CA 0.034 56.157 56.400 -0.463 0.000 1.090 90 E CB 1.372 30.761 29.700 -0.519 0.000 1.066 90 E HN 0.049 nan 8.360 nan 0.000 0.496 91 T N -2.564 111.657 114.554 -0.555 0.000 2.841 91 T HA 0.309 4.659 4.350 0.000 0.000 0.296 91 T C 0.080 174.403 174.700 -0.627 0.000 1.166 91 T CA -0.705 61.031 62.100 -0.607 0.000 1.007 91 T CB 2.045 70.612 68.868 -0.503 0.000 1.253 91 T HN -0.232 nan 8.240 nan 0.000 0.511 92 Q N -0.234 119.079 119.800 -0.811 0.000 2.219 92 Q HA 0.372 4.712 4.340 0.000 0.000 0.209 92 Q C -0.898 174.877 176.000 -0.375 0.000 0.854 92 Q CA -0.466 54.999 55.803 -0.562 0.000 0.960 92 Q CB 0.051 28.490 28.738 -0.498 0.000 1.116 92 Q HN 0.724 nan 8.270 nan 0.000 0.500 93 W N 0.272 121.540 121.300 -0.053 0.000 2.137 93 W HA 0.135 4.795 4.660 0.000 0.000 0.344 93 W C 1.421 178.029 176.519 0.148 0.000 1.286 93 W CA -0.682 56.739 57.345 0.125 0.000 1.240 93 W CB 0.732 30.375 29.460 0.305 0.000 1.141 93 W HN 0.011 nan 8.180 nan 0.000 0.579 94 E N 0.924 121.413 120.200 0.481 0.000 2.318 94 E HA 0.071 4.422 4.350 0.000 0.000 0.193 94 E C 0.178 177.002 176.600 0.372 0.000 0.998 94 E CA 0.707 57.300 56.400 0.321 0.000 0.859 94 E CB 0.235 30.073 29.700 0.230 0.000 0.812 94 E HN 0.429 nan 8.360 nan 0.000 0.492 95 R N -0.341 120.403 120.500 0.407 0.000 2.698 95 R HA 0.551 4.891 4.340 0.000 0.000 0.275 95 R C -0.822 175.449 176.300 -0.048 0.000 1.001 95 R CA -0.514 55.690 56.100 0.174 0.000 0.896 95 R CB 2.455 32.794 30.300 0.066 0.000 1.218 95 R HN -0.063 nan 8.270 nan 0.000 0.462 96 I N 2.001 122.322 120.570 -0.416 0.000 2.498 96 I HA 0.399 4.569 4.170 0.000 0.000 0.290 96 I C -0.749 175.087 176.117 -0.468 0.000 1.032 96 I CA -0.617 60.290 61.300 -0.654 0.000 1.073 96 I CB 1.305 38.461 38.000 -1.406 0.000 1.251 96 I HN 0.650 nan 8.210 nan 0.000 0.426 97 H N 6.699 125.483 119.070 -0.477 0.000 2.479 97 H HA 0.422 4.978 4.556 0.000 0.000 0.335 97 H C -1.474 173.426 175.328 -0.713 0.000 1.142 97 H CA -0.424 55.357 56.048 -0.444 0.000 1.234 97 H CB 1.908 31.507 29.762 -0.271 0.000 1.503 97 H HN 0.384 nan 8.280 nan 0.000 0.510 98 F N 1.490 121.215 119.950 -0.374 0.000 2.507 98 F HA 0.313 4.841 4.527 0.000 0.000 0.325 98 F C -0.845 174.605 175.800 -0.583 0.000 1.116 98 F CA -0.664 57.133 58.000 -0.338 0.000 0.930 98 F CB 1.290 40.218 39.000 -0.120 0.000 1.146 98 F HN 0.398 nan 8.300 nan 0.000 0.447 99 Y N 0.798 121.143 120.300 0.075 0.000 2.442 99 Y HA 0.329 4.879 4.550 0.000 0.000 0.344 99 Y C -0.313 175.720 175.900 0.223 0.000 0.976 99 Y CA -1.523 56.654 58.100 0.130 0.000 1.040 99 Y CB 1.193 39.611 38.460 -0.070 0.000 1.228 99 Y HN 0.445 nan 8.280 nan 0.000 0.451 100 D N 1.134 121.771 120.400 0.396 0.000 2.472 100 D HA 0.153 4.793 4.640 0.000 0.000 0.237 100 D C 0.818 177.303 176.300 0.307 0.000 1.141 100 D CA 0.468 54.665 54.000 0.327 0.000 0.875 100 D CB 1.425 42.391 40.800 0.277 0.000 1.192 100 D HN 0.774 nan 8.370 nan 0.000 0.450 101 A N 2.657 125.643 122.820 0.276 0.000 2.066 101 A HA -0.140 4.180 4.320 0.000 0.000 0.218 101 A C 1.511 179.112 177.584 0.029 0.000 1.157 101 A CA 0.986 53.095 52.037 0.120 0.000 0.670 101 A CB -0.113 18.976 19.000 0.148 0.000 0.804 101 A HN 0.627 nan 8.150 nan 0.000 0.453 102 D N 0.094 120.567 120.400 0.122 0.000 2.347 102 D HA -0.008 4.632 4.640 0.000 0.000 0.215 102 D C 0.585 176.949 176.300 0.107 0.000 0.976 102 D CA -0.078 53.996 54.000 0.124 0.000 0.884 102 D CB -0.566 40.343 40.800 0.181 0.000 0.915 102 D HN 0.469 nan 8.370 nan 0.000 0.526 103 I N 1.875 122.487 120.570 0.071 0.000 2.668 103 I HA -0.064 4.106 4.170 0.000 0.000 0.285 103 I C 1.440 177.559 176.117 0.004 0.000 1.168 103 I CA 0.509 61.836 61.300 0.044 0.000 1.424 103 I CB 0.878 38.857 38.000 -0.036 0.000 1.377 103 I HN 0.004 nan 8.210 nan 0.000 0.560 104 T N -1.055 113.523 114.554 0.039 0.000 3.023 104 T HA 0.024 4.375 4.350 0.000 0.000 0.253 104 T C 1.009 175.723 174.700 0.022 0.000 1.038 104 T CA 0.248 62.356 62.100 0.014 0.000 0.962 104 T CB 0.061 68.924 68.868 -0.009 0.000 1.018 104 T HN 0.643 nan 8.240 nan 0.000 0.521 105 S N 0.465 116.195 115.700 0.050 0.000 2.574 105 S HA 0.394 4.864 4.470 0.000 0.000 0.242 105 S C -0.146 174.439 174.600 -0.025 0.000 0.982 105 S CA -0.928 57.328 58.200 0.093 0.000 0.977 105 S CB -0.862 62.467 63.200 0.215 0.000 0.814 105 S HN 0.392 nan 8.310 nan 0.000 0.464 106 F N 2.574 122.249 119.950 -0.460 0.000 2.443 106 F HA 0.624 5.151 4.527 0.000 0.000 0.353 106 F C 0.619 176.044 175.800 -0.625 0.000 1.101 106 F CA 0.131 57.510 58.000 -1.036 0.000 1.226 106 F CB 0.541 39.051 39.000 -0.816 0.000 1.140 106 F HN 0.296 nan 8.300 nan 0.000 0.557 107 G N 5.267 113.196 108.800 -1.451 0.000 2.692 107 G HA2 0.396 4.356 3.960 0.000 0.000 0.291 107 G HA3 0.396 4.356 3.960 0.000 0.000 0.291 107 G C -2.628 171.833 174.900 -0.733 0.000 1.423 107 G CA -1.134 43.538 45.100 -0.712 0.000 0.843 107 G HN 0.322 nan 8.290 nan 0.000 0.486 108 P HA -0.108 nan 4.420 nan 0.000 0.218 108 P C 0.895 178.203 177.300 0.015 0.000 1.148 108 P CA 0.971 63.999 63.100 -0.120 0.000 0.822 108 P CB 0.364 32.032 31.700 -0.054 0.000 0.784 109 D N -0.920 119.504 120.400 0.041 0.000 2.133 109 D HA -0.178 4.462 4.640 0.000 0.000 0.195 109 D C 1.825 178.266 176.300 0.235 0.000 0.997 109 D CA 1.076 55.166 54.000 0.150 0.000 0.840 109 D CB -0.497 40.389 40.800 0.144 0.000 0.947 109 D HN 0.184 nan 8.370 nan 0.000 0.452 110 W N 1.110 122.307 121.300 -0.172 0.000 2.338 110 W HA -0.056 4.604 4.660 0.000 0.000 0.304 110 W C 2.510 179.100 176.519 0.119 0.000 1.212 110 W CA 0.204 57.500 57.345 -0.082 0.000 1.264 110 W CB -1.096 28.149 29.460 -0.359 0.000 1.142 110 W HN 0.015 nan 8.180 nan 0.000 0.512 111 I N -0.558 120.119 120.570 0.178 0.000 2.202 111 I HA -0.293 3.877 4.170 0.000 0.000 0.242 111 I C 2.309 178.520 176.117 0.156 0.000 1.091 111 I CA 1.707 63.071 61.300 0.106 0.000 1.368 111 I CB -1.097 36.635 38.000 -0.447 0.000 1.058 111 I HN -0.109 nan 8.210 nan 0.000 0.410 112 T N 1.001 115.676 114.554 0.201 0.000 2.635 112 T HA -0.219 4.131 4.350 0.000 0.000 0.267 112 T C 1.885 176.696 174.700 0.185 0.000 1.040 112 T CA 1.506 63.749 62.100 0.239 0.000 1.156 112 T CB -0.221 68.794 68.868 0.245 0.000 0.863 112 T HN 0.316 nan 8.240 nan 0.000 0.430 113 K N 1.123 121.638 120.400 0.192 0.000 2.032 113 K HA -0.011 4.310 4.320 0.000 0.000 0.209 113 K C 2.711 179.393 176.600 0.137 0.000 1.048 113 K CA 1.274 57.651 56.287 0.149 0.000 0.927 113 K CB -0.345 32.241 32.500 0.143 0.000 0.712 113 K HN 0.303 nan 8.250 nan 0.000 0.441 114 A N 1.940 124.895 122.820 0.224 0.000 1.877 114 A HA -0.189 4.132 4.320 0.000 0.000 0.216 114 A C 2.010 179.645 177.584 0.086 0.000 1.186 114 A CA 1.421 53.531 52.037 0.122 0.000 0.620 114 A CB -0.309 18.820 19.000 0.216 0.000 0.822 114 A HN 0.194 nan 8.150 nan 0.000 0.443 115 E N 0.008 120.300 120.200 0.154 0.000 2.153 115 E HA -0.197 4.153 4.350 0.000 0.000 0.194 115 E C 1.902 178.557 176.600 0.093 0.000 0.988 115 E CA 1.378 57.849 56.400 0.118 0.000 0.811 115 E CB -0.283 29.500 29.700 0.138 0.000 0.746 115 E HN 0.777 nan 8.360 nan 0.000 0.466 116 E N 0.611 120.862 120.200 0.085 0.000 2.072 116 E HA -0.094 4.256 4.350 0.000 0.000 0.190 116 E C 2.083 178.706 176.600 0.039 0.000 0.982 116 E CA 0.839 57.279 56.400 0.067 0.000 0.803 116 E CB -0.071 29.659 29.700 0.050 0.000 0.755 116 E HN 0.179 nan 8.360 nan 0.000 0.453 117 A N 1.563 124.352 122.820 -0.051 0.000 1.902 117 A HA -0.142 4.178 4.320 0.000 0.000 0.217 117 A C 2.399 180.062 177.584 0.133 0.000 1.181 117 A CA 1.693 53.651 52.037 -0.131 0.000 0.623 117 A CB -0.660 18.121 19.000 -0.365 0.000 0.818 117 A HN 0.294 nan 8.150 nan 0.000 0.443 118 A N 0.102 122.979 122.820 0.096 0.000 1.940 118 A HA -0.208 4.112 4.320 0.000 0.000 0.219 118 A C 1.704 179.368 177.584 0.133 0.000 1.176 118 A CA 1.908 54.018 52.037 0.121 0.000 0.631 118 A CB -0.619 18.416 19.000 0.058 0.000 0.814 118 A HN 0.462 nan 8.150 nan 0.000 0.446 119 D N -1.329 119.149 120.400 0.129 0.000 2.218 119 D HA -0.118 4.523 4.640 0.000 0.000 0.204 119 D C 1.392 177.765 176.300 0.122 0.000 0.976 119 D CA 0.867 54.935 54.000 0.113 0.000 0.853 119 D CB -0.337 40.533 40.800 0.117 0.000 0.939 119 D HN 0.486 nan 8.370 nan 0.000 0.481 120 F N -0.170 119.780 119.950 0.001 0.000 2.407 120 F HA 0.123 4.650 4.527 0.000 0.000 0.299 120 F C 1.893 177.615 175.800 -0.129 0.000 1.097 120 F CA 1.354 59.330 58.000 -0.040 0.000 1.422 120 F CB 0.504 39.509 39.000 0.008 0.000 1.067 120 F HN 0.103 nan 8.300 nan 0.000 0.539 121 G N -2.224 106.579 108.800 0.006 0.000 2.813 121 G HA2 -0.200 3.760 3.960 0.000 0.000 0.194 121 G HA3 -0.200 3.760 3.960 0.000 0.000 0.194 121 G C -0.015 174.831 174.900 -0.089 0.000 1.010 121 G CA -0.402 44.622 45.100 -0.126 0.000 0.771 121 G HN 0.167 nan 8.290 nan 0.000 0.485 122 Y N 0.984 121.329 120.300 0.075 0.000 2.652 122 Y HA 0.331 4.881 4.550 0.000 0.000 0.344 122 Y C 1.900 177.822 175.900 0.037 0.000 1.254 122 Y CA 1.373 59.513 58.100 0.067 0.000 1.480 122 Y CB 0.970 39.483 38.460 0.088 0.000 1.345 122 Y HN 0.098 nan 8.280 nan 0.000 0.617 123 G N 1.766 110.686 108.800 0.199 0.000 2.545 123 G HA2 0.095 4.055 3.960 0.000 0.000 0.212 123 G HA3 0.095 4.055 3.960 0.000 0.000 0.212 123 G C -0.163 174.784 174.900 0.077 0.000 1.144 123 G CA 0.028 45.190 45.100 0.103 0.000 0.813 123 G HN 0.454 nan 8.290 nan 0.000 0.531 124 L N 1.427 122.707 121.223 0.095 0.000 2.410 124 L HA 0.614 4.954 4.340 0.000 0.000 0.270 124 L C -1.511 175.377 176.870 0.030 0.000 0.983 124 L CA -0.627 54.233 54.840 0.033 0.000 0.822 124 L CB 2.510 44.576 42.059 0.011 0.000 1.285 124 L HN -0.170 nan 8.230 nan 0.000 0.409 125 V N 5.158 125.054 119.914 -0.030 0.000 2.409 125 V HA 0.523 4.643 4.120 0.000 0.000 0.291 125 V C -0.229 175.783 176.094 -0.135 0.000 1.020 125 V CA -0.652 61.604 62.300 -0.073 0.000 0.848 125 V CB 1.925 33.690 31.823 -0.097 0.000 0.990 125 V HN 0.713 nan 8.190 nan 0.000 0.430 126 R N 3.701 124.126 120.500 -0.125 0.000 2.393 126 R HA 0.538 4.878 4.340 0.000 0.000 0.310 126 R C -0.673 175.537 176.300 -0.149 0.000 0.968 126 R CA -0.781 55.269 56.100 -0.083 0.000 0.867 126 R CB 1.413 31.701 30.300 -0.019 0.000 1.124 126 R HN 0.708 nan 8.270 nan 0.000 0.450 127 H N 2.846 121.918 119.070 0.003 0.000 2.582 127 H HA 0.151 4.707 4.556 0.000 0.000 0.345 127 H C -0.522 174.613 175.328 -0.321 0.000 1.104 127 H CA 0.074 56.003 56.048 -0.198 0.000 1.390 127 H CB 1.181 30.812 29.762 -0.218 0.000 1.461 127 H HN 0.594 nan 8.280 nan 0.000 0.551 128 Y N 0.664 120.582 120.300 -0.636 0.000 2.553 128 Y HA 0.593 5.143 4.550 0.000 0.000 0.347 128 Y C -2.047 173.312 175.900 -0.901 0.000 1.019 128 Y CA -1.586 56.155 58.100 -0.599 0.000 1.032 128 Y CB 0.996 39.381 38.460 -0.126 0.000 1.284 128 Y HN 0.285 nan 8.280 nan 0.000 0.466 129 F N 1.701 121.605 119.950 -0.077 0.000 2.620 129 F HA 0.742 5.270 4.527 0.000 0.000 0.320 129 F C -2.430 173.372 175.800 0.003 0.000 1.069 129 F CA -2.622 55.219 58.000 -0.264 0.000 0.953 129 F CB 1.807 40.725 39.000 -0.136 0.000 1.322 129 F HN 0.313 nan 8.300 nan 0.000 0.479 130 P HA 0.222 nan 4.420 nan 0.000 0.269 130 P C -0.955 176.511 177.300 0.278 0.000 1.209 130 P CA -0.172 63.102 63.100 0.290 0.000 0.776 130 P CB 0.935 32.737 31.700 0.171 0.000 0.876 131 R N 0.871 121.576 120.500 0.343 0.000 2.725 131 R HA 0.616 4.956 4.340 0.000 0.000 0.277 131 R C -0.493 176.024 176.300 0.362 0.000 0.987 131 R CA -1.046 55.242 56.100 0.313 0.000 0.901 131 R CB 2.517 33.019 30.300 0.337 0.000 1.207 131 R HN 0.542 nan 8.270 nan 0.000 0.463 132 A N 0.862 123.850 122.820 0.280 0.000 2.445 132 A HA 0.097 4.417 4.320 0.000 0.000 0.242 132 A C 1.359 179.134 177.584 0.319 0.000 1.075 132 A CA 0.370 52.580 52.037 0.288 0.000 0.777 132 A CB 0.348 19.468 19.000 0.199 0.000 1.013 132 A HN 0.877 nan 8.150 nan 0.000 0.493 133 S N 0.801 116.703 115.700 0.336 0.000 2.442 133 S HA -0.137 4.333 4.470 0.000 0.000 0.236 133 S C 1.120 175.863 174.600 0.239 0.000 1.007 133 S CA 1.688 60.010 58.200 0.204 0.000 0.965 133 S CB -0.730 62.536 63.200 0.110 0.000 0.773 133 S HN 1.290 nan 8.310 nan 0.000 0.504 134 T N -1.557 113.133 114.554 0.228 0.000 3.214 134 T HA 0.365 4.715 4.350 0.000 0.000 0.264 134 T C -0.302 174.556 174.700 0.263 0.000 1.012 134 T CA -0.698 61.570 62.100 0.279 0.000 0.901 134 T CB -0.015 69.015 68.868 0.270 0.000 1.070 134 T HN 0.112 nan 8.240 nan 0.000 0.561 135 D N 1.123 121.668 120.400 0.242 0.000 2.440 135 D HA 0.620 5.260 4.640 0.000 0.000 0.258 135 D C 0.786 177.236 176.300 0.250 0.000 1.092 135 D CA 0.068 54.210 54.000 0.236 0.000 1.016 135 D CB 1.495 42.435 40.800 0.234 0.000 1.141 135 D HN 0.253 nan 8.370 nan 0.000 0.552 136 A N 0.778 123.738 122.820 0.234 0.000 2.869 136 A HA -0.206 4.114 4.320 0.000 0.000 0.280 136 A C 1.358 179.124 177.584 0.303 0.000 1.458 136 A CA 0.735 52.919 52.037 0.246 0.000 0.776 136 A CB -1.633 17.542 19.000 0.293 0.000 1.028 136 A HN 0.424 nan 8.150 nan 0.000 0.547 137 M N -1.157 118.602 119.600 0.265 0.000 2.419 137 M HA 0.068 4.548 4.480 0.000 0.000 0.264 137 M C 1.986 178.561 176.300 0.459 0.000 1.082 137 M CA 1.459 56.916 55.300 0.262 0.000 1.119 137 M CB -0.796 31.851 32.600 0.077 0.000 1.398 137 M HN 0.718 nan 8.290 nan 0.000 0.453 138 I N -0.732 120.051 120.570 0.354 0.000 2.233 138 I HA -0.215 3.955 4.170 0.000 0.000 0.243 138 I C 2.254 178.431 176.117 0.100 0.000 1.093 138 I CA 1.059 62.445 61.300 0.143 0.000 1.380 138 I CB -0.737 37.204 38.000 -0.099 0.000 1.067 138 I HN 0.199 nan 8.210 nan 0.000 0.413 139 T N 0.096 114.681 114.554 0.053 0.000 2.635 139 T HA -0.238 4.112 4.350 0.000 0.000 0.267 139 T C 1.463 176.095 174.700 -0.114 0.000 1.040 139 T CA 2.039 64.089 62.100 -0.083 0.000 1.156 139 T CB -0.330 68.444 68.868 -0.157 0.000 0.863 139 T HN 0.390 nan 8.240 nan 0.000 0.430 140 W N 0.431 121.734 121.300 0.005 0.000 2.501 140 W HA 0.119 4.779 4.660 0.000 0.000 0.309 140 W C 2.409 178.947 176.519 0.032 0.000 1.165 140 W CA 0.163 57.482 57.345 -0.043 0.000 1.381 140 W CB -0.154 29.211 29.460 -0.158 0.000 1.142 140 W HN 0.093 nan 8.180 nan 0.000 0.509 141 M N -0.682 119.121 119.600 0.338 0.000 2.492 141 M HA 0.042 4.522 4.480 0.000 0.000 0.262 141 M C 1.529 178.200 176.300 0.619 0.000 1.090 141 M CA 1.388 56.903 55.300 0.358 0.000 1.110 141 M CB -1.027 31.612 32.600 0.065 0.000 1.407 141 M HN 0.162 nan 8.290 nan 0.000 0.470 142 I N -1.210 119.618 120.570 0.429 0.000 3.345 142 I HA -0.062 4.108 4.170 0.000 0.000 0.258 142 I C 2.053 178.281 176.117 0.185 0.000 1.134 142 I CA 0.580 62.136 61.300 0.426 0.000 1.457 142 I CB -0.135 38.014 38.000 0.249 0.000 1.425 142 I HN 0.106 nan 8.210 nan 0.000 0.461 143 T N 0.996 115.532 114.554 -0.031 0.000 2.668 143 T HA -0.083 4.267 4.350 0.000 0.000 0.258 143 T C 1.975 176.418 174.700 -0.428 0.000 1.051 143 T CA 1.192 63.098 62.100 -0.324 0.000 1.155 143 T CB -0.269 68.410 68.868 -0.315 0.000 0.864 143 T HN 0.167 nan 8.240 nan 0.000 0.413 144 R N 0.626 121.000 120.500 -0.210 0.000 2.096 144 R HA -0.047 4.293 4.340 0.000 0.000 0.235 144 R C 2.780 179.092 176.300 0.020 0.000 1.127 144 R CA 1.495 57.542 56.100 -0.088 0.000 0.968 144 R CB -0.812 29.364 30.300 -0.207 0.000 0.861 144 R HN 0.323 nan 8.270 nan 0.000 0.440 145 T N 0.180 114.766 114.554 0.053 0.000 2.652 145 T HA -0.154 4.196 4.350 0.000 0.000 0.267 145 T C 1.910 176.426 174.700 -0.306 0.000 1.039 145 T CA 1.685 63.791 62.100 0.009 0.000 1.153 145 T CB -0.622 68.312 68.868 0.111 0.000 0.863 145 T HN 0.548 nan 8.240 nan 0.000 0.428 146 G N 0.898 109.467 108.800 -0.384 0.000 2.446 146 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 146 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 146 G C 1.282 176.192 174.900 0.018 0.000 1.168 146 G CA 0.593 45.480 45.100 -0.355 0.000 0.771 146 G HN 0.383 nan 8.290 nan 0.000 0.551 147 F N 1.876 121.908 119.950 0.137 0.000 2.126 147 F HA 0.004 4.531 4.527 0.000 0.000 0.299 147 F C 3.027 178.947 175.800 0.199 0.000 1.096 147 F CA 0.349 58.544 58.000 0.325 0.000 1.255 147 F CB -1.017 38.115 39.000 0.221 0.000 0.997 147 F HN 0.277 nan 8.300 nan 0.000 0.479 148 A N -0.196 122.773 122.820 0.248 0.000 1.930 148 A HA -0.089 4.231 4.320 0.000 0.000 0.217 148 A C 2.321 179.931 177.584 0.043 0.000 1.175 148 A CA 1.191 53.309 52.037 0.134 0.000 0.627 148 A CB -0.965 18.108 19.000 0.122 0.000 0.815 148 A HN 0.373 nan 8.150 nan 0.000 0.443 149 L N -1.107 120.056 121.223 -0.099 0.000 2.240 149 L HA 0.011 4.351 4.340 0.000 0.000 0.211 149 L C 2.115 178.872 176.870 -0.190 0.000 1.106 149 L CA 0.616 55.337 54.840 -0.198 0.000 0.793 149 L CB -0.157 41.620 42.059 -0.470 0.000 0.927 149 L HN 0.351 nan 8.230 nan 0.000 0.446 150 L N -2.422 118.631 121.223 -0.282 0.000 2.470 150 L HA 0.058 4.398 4.340 0.000 0.000 0.219 150 L C 0.403 176.800 176.870 -0.789 0.000 1.071 150 L CA 0.074 54.501 54.840 -0.688 0.000 0.850 150 L CB 0.289 41.570 42.059 -1.297 0.000 1.040 150 L HN 0.289 nan 8.230 nan 0.000 0.475 151 W N 0.774 122.148 121.300 0.122 0.000 1.590 151 W HA 0.294 4.954 4.660 0.000 0.000 0.299 151 W C -2.018 174.553 176.519 0.087 0.000 0.872 151 W CA -1.189 56.224 57.345 0.114 0.000 1.961 151 W CB 0.111 29.634 29.460 0.105 0.000 2.140 151 W HN -0.065 nan 8.180 nan 0.000 0.433 152 P HA -0.187 nan 4.420 nan 0.000 0.220 152 P C 0.966 178.268 177.300 0.003 0.000 1.148 152 P CA 1.633 64.751 63.100 0.032 0.000 0.803 152 P CB 0.235 31.860 31.700 -0.126 0.000 0.782 153 H N -0.465 118.727 119.070 0.203 0.000 2.533 153 H HA 0.132 4.688 4.556 0.000 0.000 0.271 153 H C 1.038 176.469 175.328 0.170 0.000 1.000 153 H CA 0.711 56.866 56.048 0.179 0.000 1.149 153 H CB -0.038 29.799 29.762 0.125 0.000 1.375 153 H HN 0.255 nan 8.280 nan 0.000 0.582 154 T N -2.352 112.366 114.554 0.274 0.000 2.949 154 T HA 0.176 4.526 4.350 0.000 0.000 0.287 154 T C 1.163 175.976 174.700 0.188 0.000 1.034 154 T CA -0.770 61.426 62.100 0.161 0.000 1.018 154 T CB 2.524 71.427 68.868 0.059 0.000 1.135 154 T HN -0.121 nan 8.240 nan 0.000 0.532 155 E N -0.105 120.130 120.200 0.057 0.000 2.409 155 E HA 0.046 4.396 4.350 0.000 0.000 0.198 155 E C 1.737 178.373 176.600 0.059 0.000 1.024 155 E CA 0.655 57.103 56.400 0.079 0.000 0.861 155 E CB -0.821 28.824 29.700 -0.091 0.000 0.788 155 E HN 0.675 nan 8.360 nan 0.000 0.521 156 L N 0.071 121.227 121.223 -0.113 0.000 1.990 156 L HA -0.266 4.074 4.340 0.000 0.000 0.213 156 L C 2.377 179.213 176.870 -0.056 0.000 1.072 156 L CA 1.818 56.435 54.840 -0.373 0.000 0.755 156 L CB -0.744 40.821 42.059 -0.823 0.000 0.889 156 L HN 0.218 nan 8.230 nan 0.000 0.432 157 S N -1.919 113.863 115.700 0.137 0.000 2.507 157 S HA -0.156 4.314 4.470 0.000 0.000 0.235 157 S C 1.384 175.980 174.600 -0.008 0.000 0.988 157 S CA 0.308 58.593 58.200 0.142 0.000 0.944 157 S CB -0.669 62.568 63.200 0.061 0.000 0.762 157 S HN 0.483 nan 8.310 nan 0.000 0.526 158 W N 1.420 122.766 121.300 0.078 0.000 2.863 158 W HA 0.461 5.121 4.660 0.000 0.000 0.258 158 W C 0.488 177.073 176.519 0.111 0.000 1.298 158 W CA -0.893 56.525 57.345 0.122 0.000 1.451 158 W CB -0.156 29.407 29.460 0.170 0.000 1.107 158 W HN 0.161 nan 8.180 nan 0.000 0.641 159 I N 2.135 122.802 120.570 0.162 0.000 2.598 159 I HA -0.105 4.065 4.170 0.000 0.000 0.284 159 I C 1.626 177.738 176.117 -0.008 0.000 1.140 159 I CA 0.063 61.381 61.300 0.029 0.000 1.420 159 I CB 1.049 39.000 38.000 -0.082 0.000 1.387 159 I HN -0.037 nan 8.210 nan 0.000 0.553 160 E N 4.499 124.649 120.200 -0.082 0.000 2.031 160 E HA -0.162 4.188 4.350 0.000 0.000 0.193 160 E C 0.312 176.831 176.600 -0.135 0.000 0.994 160 E CA 1.538 57.843 56.400 -0.158 0.000 0.800 160 E CB 0.042 29.477 29.700 -0.442 0.000 0.752 160 E HN 0.619 nan 8.360 nan 0.000 0.447 161 Q N 0.058 119.827 119.800 -0.051 0.000 3.122 161 Q HA 0.149 4.490 4.340 0.000 0.000 0.282 161 Q C -2.026 174.001 176.000 0.044 0.000 0.947 161 Q CA -1.227 54.584 55.803 0.013 0.000 0.812 161 Q CB 1.638 30.464 28.738 0.146 0.000 1.333 161 Q HN 0.028 nan 8.270 nan 0.000 0.430 162 P HA -0.138 nan 4.420 nan 0.000 0.225 162 P C 0.602 177.964 177.300 0.103 0.000 1.148 162 P CA 0.954 64.120 63.100 0.109 0.000 0.779 162 P CB 0.376 32.210 31.700 0.222 0.000 0.780 163 L N -1.372 119.891 121.223 0.066 0.000 2.592 163 L HA 0.247 4.588 4.340 0.000 0.000 0.227 163 L C 1.389 178.334 176.870 0.124 0.000 1.127 163 L CA -0.321 54.565 54.840 0.077 0.000 0.884 163 L CB -0.660 41.419 42.059 0.034 0.000 1.065 163 L HN -0.082 nan 8.230 nan 0.000 0.457 164 G N -0.017 108.874 108.800 0.152 0.000 2.340 164 G HA2 0.242 4.202 3.960 0.000 0.000 0.245 164 G HA3 0.242 4.202 3.960 0.000 0.000 0.245 164 G C 0.907 175.939 174.900 0.220 0.000 1.294 164 G CA 0.126 45.358 45.100 0.221 0.000 0.896 164 G HN 0.301 nan 8.290 nan 0.000 0.522 165 G N 1.228 110.179 108.800 0.252 0.000 3.189 165 G HA2 0.270 4.230 3.960 0.000 0.000 0.225 165 G HA3 0.270 4.230 3.960 0.000 0.000 0.225 165 G C 0.230 175.289 174.900 0.265 0.000 1.159 165 G CA -0.182 45.052 45.100 0.223 0.000 0.763 165 G HN 0.535 nan 8.290 nan 0.000 0.549 166 E N 0.466 120.876 120.200 0.350 0.000 2.073 166 E HA 0.565 4.915 4.350 0.000 0.000 0.269 166 E C -0.517 176.321 176.600 0.397 0.000 0.917 166 E CA -0.438 56.202 56.400 0.400 0.000 0.757 166 E CB 1.517 31.640 29.700 0.705 0.000 1.111 166 E HN 0.282 nan 8.360 nan 0.000 0.410 167 L N 0.171 121.508 121.223 0.189 0.000 2.671 167 L HA 0.644 4.985 4.340 0.000 0.000 0.259 167 L C -1.519 175.326 176.870 -0.042 0.000 1.021 167 L CA -1.107 53.791 54.840 0.098 0.000 0.871 167 L CB 1.033 43.139 42.059 0.079 0.000 1.472 167 L HN 0.405 nan 8.230 nan 0.000 0.410 168 L N 1.901 123.044 121.223 -0.134 0.000 2.385 168 L HA 0.849 5.189 4.340 0.000 0.000 0.273 168 L C -1.057 175.717 176.870 -0.160 0.000 0.990 168 L CA -0.565 54.105 54.840 -0.283 0.000 0.821 168 L CB 1.734 43.530 42.059 -0.438 0.000 1.279 168 L HN 0.910 nan 8.230 nan 0.000 0.412 169 M N 3.946 123.452 119.600 -0.156 0.000 2.535 169 M HA 0.616 5.096 4.480 0.000 0.000 0.314 169 M C -0.807 175.463 176.300 -0.049 0.000 1.153 169 M CA -0.883 54.369 55.300 -0.081 0.000 0.924 169 M CB 2.024 34.585 32.600 -0.065 0.000 1.710 169 M HN 0.498 nan 8.290 nan 0.000 0.451 170 R N 0.737 121.254 120.500 0.029 0.000 2.543 170 R HA 0.467 4.807 4.340 0.000 0.000 0.268 170 R C 0.664 177.077 176.300 0.189 0.000 1.067 170 R CA -0.835 55.328 56.100 0.105 0.000 1.142 170 R CB 1.170 31.523 30.300 0.089 0.000 1.110 170 R HN 0.945 nan 8.270 nan 0.000 0.549 171 R N 0.864 121.528 120.500 0.273 0.000 2.112 171 R HA -0.230 4.110 4.340 0.000 0.000 0.242 171 R C 1.913 178.311 176.300 0.163 0.000 1.137 171 R CA 2.479 58.748 56.100 0.282 0.000 0.944 171 R CB -0.235 30.123 30.300 0.097 0.000 0.857 171 R HN 0.872 nan 8.270 nan 0.000 0.435 172 E N 0.221 120.479 120.200 0.097 0.000 2.153 172 E HA -0.128 4.222 4.350 0.000 0.000 0.194 172 E C 2.014 178.656 176.600 0.070 0.000 0.988 172 E CA 1.407 57.846 56.400 0.065 0.000 0.811 172 E CB -0.529 29.194 29.700 0.038 0.000 0.746 172 E HN 0.347 nan 8.360 nan 0.000 0.466 173 V N 2.107 122.064 119.914 0.071 0.000 2.358 173 V HA -0.198 3.922 4.120 0.000 0.000 0.246 173 V C 2.733 178.862 176.094 0.058 0.000 1.047 173 V CA 1.857 64.186 62.300 0.047 0.000 1.035 173 V CB -0.905 30.932 31.823 0.024 0.000 0.658 173 V HN 0.431 nan 8.190 nan 0.000 0.452 174 A N 0.171 123.057 122.820 0.110 0.000 1.877 174 A HA -0.153 4.167 4.320 0.000 0.000 0.216 174 A C 2.459 180.155 177.584 0.186 0.000 1.186 174 A CA 2.216 54.346 52.037 0.154 0.000 0.620 174 A CB -0.938 18.252 19.000 0.316 0.000 0.822 174 A HN 0.573 nan 8.150 nan 0.000 0.443 175 A N -0.790 122.129 122.820 0.165 0.000 1.917 175 A HA -0.217 4.103 4.320 0.000 0.000 0.219 175 A C 2.248 179.923 177.584 0.151 0.000 1.182 175 A CA 2.219 54.344 52.037 0.148 0.000 0.633 175 A CB -0.551 18.497 19.000 0.081 0.000 0.819 175 A HN 0.561 nan 8.150 nan 0.000 0.448 176 M N -0.366 119.297 119.600 0.104 0.000 2.132 176 M HA -0.070 4.410 4.480 0.000 0.000 0.263 176 M C 1.976 178.329 176.300 0.089 0.000 1.065 176 M CA 1.674 57.021 55.300 0.078 0.000 1.122 176 M CB -0.764 31.865 32.600 0.048 0.000 1.365 176 M HN 0.436 nan 8.290 nan 0.000 0.411 177 L N -1.097 120.187 121.223 0.102 0.000 2.027 177 L HA -0.238 4.102 4.340 0.000 0.000 0.206 177 L C 2.571 179.547 176.870 0.176 0.000 1.074 177 L CA 1.460 56.375 54.840 0.125 0.000 0.745 177 L CB -1.158 40.945 42.059 0.072 0.000 0.898 177 L HN 0.250 nan 8.230 nan 0.000 0.433 178 Y N 1.110 121.469 120.300 0.099 0.000 2.224 178 Y HA -0.282 4.268 4.550 0.000 0.000 0.289 178 Y C 2.486 178.435 175.900 0.082 0.000 1.146 178 Y CA 1.554 59.721 58.100 0.111 0.000 1.182 178 Y CB -0.028 38.505 38.460 0.121 0.000 0.983 178 Y HN 0.119 nan 8.280 nan 0.000 0.524 179 E N 0.753 121.006 120.200 0.088 0.000 2.147 179 E HA -0.213 4.137 4.350 0.000 0.000 0.199 179 E C 0.389 176.956 176.600 -0.055 0.000 1.005 179 E CA 1.333 57.738 56.400 0.007 0.000 0.810 179 E CB -0.561 29.174 29.700 0.058 0.000 0.736 179 E HN 0.384 nan 8.360 nan 0.000 0.460 180 D N -0.037 120.350 120.400 -0.022 0.000 2.339 180 D HA -0.056 4.584 4.640 0.000 0.000 0.256 180 D C 1.032 177.310 176.300 -0.037 0.000 1.214 180 D CA 0.037 54.033 54.000 -0.007 0.000 0.877 180 D CB 1.011 41.834 40.800 0.039 0.000 1.111 180 D HN -0.005 nan 8.370 nan 0.000 0.478 181 E N 4.703 124.880 120.200 -0.038 0.000 2.114 181 E HA -0.283 4.067 4.350 0.000 0.000 0.199 181 E C 1.481 178.062 176.600 -0.033 0.000 1.008 181 E CA 1.766 58.139 56.400 -0.044 0.000 0.810 181 E CB 0.062 29.745 29.700 -0.028 0.000 0.739 181 E HN 0.439 nan 8.360 nan 0.000 0.456 182 R N -0.299 120.193 120.500 -0.013 0.000 2.096 182 R HA -0.057 4.283 4.340 0.000 0.000 0.235 182 R C 2.581 178.874 176.300 -0.013 0.000 1.127 182 R CA 1.408 57.501 56.100 -0.013 0.000 0.968 182 R CB -0.596 29.704 30.300 -0.000 0.000 0.861 182 R HN 0.366 nan 8.270 nan 0.000 0.440 183 V N -0.552 119.369 119.914 0.013 0.000 2.599 183 V HA -0.001 4.119 4.120 0.000 0.000 0.245 183 V C 2.139 178.232 176.094 -0.002 0.000 1.046 183 V CA 1.132 63.449 62.300 0.028 0.000 1.065 183 V CB -0.133 31.778 31.823 0.147 0.000 0.703 183 V HN 0.062 nan 8.190 nan 0.000 0.464 184 R N 2.050 122.533 120.500 -0.028 0.000 2.103 184 R HA -0.167 4.173 4.340 0.000 0.000 0.242 184 R C 2.525 178.794 176.300 -0.051 0.000 1.142 184 R CA 2.516 58.574 56.100 -0.069 0.000 0.960 184 R CB -0.772 29.436 30.300 -0.154 0.000 0.858 184 R HN 0.776 nan 8.270 nan 0.000 0.439 185 R N -0.941 119.530 120.500 -0.048 0.000 2.276 185 R HA 0.062 4.402 4.340 0.000 0.000 0.203 185 R C 0.573 176.846 176.300 -0.045 0.000 1.017 185 R CA 0.550 56.625 56.100 -0.042 0.000 1.010 185 R CB -0.108 30.170 30.300 -0.037 0.000 0.900 185 R HN -0.144 nan 8.270 nan 0.000 0.469 186 R N 1.894 122.360 120.500 -0.057 0.000 4.164 186 R HA 0.066 4.406 4.340 0.000 0.000 0.195 186 R C 0.548 176.794 176.300 -0.090 0.000 1.712 186 R CA 0.154 56.211 56.100 -0.073 0.000 1.457 186 R CB -0.061 30.183 30.300 -0.094 0.000 1.387 186 R HN 0.467 nan 8.270 nan 0.000 0.785 187 S N -1.134 114.523 115.700 -0.070 0.000 2.507 187 S HA -0.124 4.346 4.470 0.000 0.000 0.235 187 S C 0.769 175.295 174.600 -0.124 0.000 0.988 187 S CA 0.655 58.807 58.200 -0.080 0.000 0.944 187 S CB -0.319 62.850 63.200 -0.053 0.000 0.762 187 S HN 0.570 nan 8.310 nan 0.000 0.526 188 D N 0.065 120.396 120.400 -0.116 0.000 2.440 188 D HA 0.132 4.772 4.640 0.000 0.000 0.282 188 D C 0.634 176.813 176.300 -0.202 0.000 1.189 188 D CA -0.839 53.070 54.000 -0.152 0.000 1.105 188 D CB -0.756 40.020 40.800 -0.040 0.000 1.173 188 D HN 0.302 nan 8.370 nan 0.000 0.577 189 W N -0.402 120.862 121.300 -0.061 0.000 2.825 189 W HA 0.262 4.922 4.660 0.000 0.000 0.243 189 W C 2.237 178.700 176.519 -0.093 0.000 1.293 189 W CA 0.276 57.578 57.345 -0.072 0.000 1.403 189 W CB -0.005 29.419 29.460 -0.060 0.000 1.134 189 W HN 0.533 nan 8.180 nan 0.000 0.666 190 G N 0.428 109.283 108.800 0.091 0.000 2.535 190 G HA2 -0.245 3.715 3.960 0.000 0.000 0.218 190 G HA3 -0.245 3.715 3.960 0.000 0.000 0.218 190 G C 1.369 176.228 174.900 -0.069 0.000 1.122 190 G CA 0.573 45.678 45.100 0.007 0.000 0.769 190 G HN 0.353 nan 8.290 nan 0.000 0.549 191 I N 0.454 120.941 120.570 -0.138 0.000 2.226 191 I HA -0.159 4.011 4.170 0.000 0.000 0.245 191 I C 2.113 177.981 176.117 -0.415 0.000 1.100 191 I CA 1.545 62.641 61.300 -0.340 0.000 1.374 191 I CB -0.025 37.693 38.000 -0.470 0.000 1.057 191 I HN 0.138 nan 8.210 nan 0.000 0.413 192 D N -0.152 120.124 120.400 -0.206 0.000 2.144 192 D HA -0.181 4.459 4.640 0.000 0.000 0.199 192 D C 1.998 178.317 176.300 0.031 0.000 0.984 192 D CA 1.847 55.802 54.000 -0.074 0.000 0.834 192 D CB -0.269 40.559 40.800 0.047 0.000 0.955 192 D HN 0.396 nan 8.370 nan 0.000 0.465 193 T N 1.924 116.498 114.554 0.033 0.000 2.684 193 T HA -0.116 4.234 4.350 0.000 0.000 0.267 193 T C 2.033 176.832 174.700 0.165 0.000 1.036 193 T CA 0.430 62.599 62.100 0.116 0.000 1.148 193 T CB -0.125 68.766 68.868 0.038 0.000 0.863 193 T HN 0.066 nan 8.240 nan 0.000 0.436 194 L N -0.055 121.196 121.223 0.046 0.000 2.046 194 L HA -0.079 4.262 4.340 0.000 0.000 0.208 194 L C 2.457 179.447 176.870 0.200 0.000 1.077 194 L CA 1.900 56.789 54.840 0.081 0.000 0.747 194 L CB -1.199 40.848 42.059 -0.021 0.000 0.896 194 L HN 0.315 nan 8.230 nan 0.000 0.432 195 Y N 0.672 121.007 120.300 0.058 0.000 2.128 195 Y HA -0.218 4.332 4.550 0.000 0.000 0.284 195 Y C 2.896 178.815 175.900 0.033 0.000 1.154 195 Y CA 1.366 59.485 58.100 0.032 0.000 1.149 195 Y CB -1.486 36.969 38.460 -0.008 0.000 0.976 195 Y HN 0.204 nan 8.280 nan 0.000 0.505 196 T N 0.358 115.048 114.554 0.226 0.000 2.708 196 T HA -0.219 4.131 4.350 0.000 0.000 0.266 196 T C 1.759 176.467 174.700 0.013 0.000 1.037 196 T CA 1.552 63.721 62.100 0.115 0.000 1.146 196 T CB -0.746 68.231 68.868 0.181 0.000 0.865 196 T HN 0.302 nan 8.240 nan 0.000 0.435 197 F N 1.745 121.662 119.950 -0.055 0.000 2.113 197 F HA -0.075 4.452 4.527 0.000 0.000 0.297 197 F C 2.395 178.076 175.800 -0.199 0.000 1.103 197 F CA 1.249 59.116 58.000 -0.221 0.000 1.248 197 F CB -0.467 38.441 39.000 -0.153 0.000 0.999 197 F HN 0.015 nan 8.300 nan 0.000 0.475 198 V N -0.440 119.542 119.914 0.114 0.000 2.591 198 V HA -0.142 3.978 4.120 0.000 0.000 0.249 198 V C 2.225 178.265 176.094 -0.090 0.000 1.053 198 V CA 2.288 64.604 62.300 0.028 0.000 1.068 198 V CB -1.294 30.618 31.823 0.149 0.000 0.689 198 V HN 0.580 nan 8.190 nan 0.000 0.462 199 T N -0.981 113.534 114.554 -0.065 0.000 2.720 199 T HA -0.183 4.167 4.350 0.000 0.000 0.268 199 T C 1.871 176.471 174.700 -0.167 0.000 1.037 199 T CA 1.997 64.044 62.100 -0.088 0.000 1.144 199 T CB -1.038 67.795 68.868 -0.059 0.000 0.864 199 T HN 0.385 nan 8.240 nan 0.000 0.444 200 V N 1.887 121.636 119.914 -0.274 0.000 2.427 200 V HA -0.158 3.962 4.120 0.000 0.000 0.248 200 V C 2.915 178.779 176.094 -0.384 0.000 1.051 200 V CA 2.015 64.106 62.300 -0.349 0.000 1.048 200 V CB -0.881 30.656 31.823 -0.476 0.000 0.666 200 V HN 0.564 nan 8.190 nan 0.000 0.456 201 Q N -0.566 118.933 119.800 -0.503 0.000 2.167 201 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 201 Q C 2.101 177.969 176.000 -0.221 0.000 0.970 201 Q CA 1.106 56.642 55.803 -0.444 0.000 0.855 201 Q CB 0.047 28.473 28.738 -0.521 0.000 0.911 201 Q HN 0.546 nan 8.270 nan 0.000 0.438 202 Q N -0.802 118.902 119.800 -0.160 0.000 2.482 202 Q HA 0.056 4.396 4.340 0.000 0.000 0.209 202 Q C 0.870 176.822 176.000 -0.080 0.000 0.961 202 Q CA 0.893 56.642 55.803 -0.090 0.000 0.945 202 Q CB 0.463 29.167 28.738 -0.057 0.000 1.012 202 Q HN 0.577 nan 8.270 nan 0.000 0.515 203 G N 0.792 109.529 108.800 -0.104 0.000 2.198 203 G HA2 -0.268 3.692 3.960 0.000 0.000 0.260 203 G HA3 -0.268 3.692 3.960 0.000 0.000 0.260 203 G C 0.221 175.094 174.900 -0.045 0.000 1.025 203 G CA 0.303 45.358 45.100 -0.075 0.000 0.769 203 G HN 0.236 nan 8.290 nan 0.000 0.507 204 V N 1.231 121.117 119.914 -0.047 0.000 2.673 204 V HA 0.385 4.505 4.120 0.000 0.000 0.303 204 V C 1.374 177.479 176.094 0.017 0.000 1.046 204 V CA 0.496 62.789 62.300 -0.012 0.000 1.126 204 V CB 1.335 33.148 31.823 -0.017 0.000 0.934 204 V HN 1.061 nan 8.190 nan 0.000 0.487 205 S N 6.049 121.788 115.700 0.065 0.000 2.523 205 S HA 0.666 5.136 4.470 0.000 0.000 0.275 205 S C -0.683 174.077 174.600 0.266 0.000 1.281 205 S CA -0.619 57.672 58.200 0.152 0.000 1.050 205 S CB 0.514 63.790 63.200 0.127 0.000 0.937 205 S HN 0.468 nan 8.310 nan 0.000 0.492 206 I N 3.105 123.842 120.570 0.280 0.000 2.465 206 I HA 0.405 4.575 4.170 0.000 0.000 0.291 206 I C -1.076 175.123 176.117 0.138 0.000 1.014 206 I CA -0.929 60.486 61.300 0.191 0.000 1.093 206 I CB 1.753 39.788 38.000 0.058 0.000 1.267 206 I HN 0.765 nan 8.210 nan 0.000 0.431 207 Y N 5.062 125.180 120.300 -0.303 0.000 2.393 207 Y HA 0.430 4.980 4.550 0.000 0.000 0.341 207 Y C -0.645 175.094 175.900 -0.268 0.000 0.988 207 Y CA -0.559 57.202 58.100 -0.566 0.000 1.078 207 Y CB 1.575 39.250 38.460 -1.308 0.000 1.203 207 Y HN 0.496 nan 8.280 nan 0.000 0.453 208 E N 5.397 125.168 120.200 -0.714 0.000 2.092 208 E HA 0.279 4.629 4.350 0.000 0.000 0.271 208 E C -1.084 175.260 176.600 -0.428 0.000 0.919 208 E CA -0.701 55.460 56.400 -0.398 0.000 0.760 208 E CB 1.130 30.655 29.700 -0.292 0.000 1.106 208 E HN 0.561 nan 8.360 nan 0.000 0.408 209 C N 3.392 122.600 119.300 -0.154 0.000 2.637 209 C HA 0.109 4.570 4.460 0.000 0.000 0.418 209 C C -0.180 174.772 174.990 -0.063 0.000 1.319 209 C CA -0.180 58.821 59.018 -0.029 0.000 1.949 209 C CB -0.768 26.905 27.740 -0.112 0.000 2.639 209 C HN 0.645 nan 8.230 nan 0.000 0.594 210 Y N 4.521 124.659 120.300 -0.270 0.000 2.328 210 Y HA 0.599 5.150 4.550 0.000 0.000 0.337 210 Y C -0.098 175.513 175.900 -0.482 0.000 1.008 210 Y CA -0.702 57.036 58.100 -0.603 0.000 1.129 210 Y CB 0.492 38.633 38.460 -0.531 0.000 1.185 210 Y HN 0.585 nan 8.280 nan 0.000 0.476 211 I N 9.975 129.877 120.570 -1.113 0.000 2.337 211 I HA 0.249 4.420 4.170 0.000 0.000 0.285 211 I C -1.571 174.007 176.117 -0.899 0.000 1.041 211 I CA -1.924 58.843 61.300 -0.888 0.000 1.199 211 I CB 1.480 38.887 38.000 -0.989 0.000 1.370 211 I HN 0.575 nan 8.210 nan 0.000 0.470 212 P HA -0.169 nan 4.420 nan 0.000 0.223 212 P C 0.930 178.086 177.300 -0.241 0.000 1.151 212 P CA 1.168 63.951 63.100 -0.528 0.000 0.787 212 P CB 0.145 31.557 31.700 -0.480 0.000 0.788 213 E N 0.362 120.483 120.200 -0.133 0.000 2.435 213 E HA 0.108 4.458 4.350 0.000 0.000 0.195 213 E C 1.009 177.668 176.600 0.099 0.000 1.029 213 E CA 0.836 57.259 56.400 0.038 0.000 0.865 213 E CB -0.695 29.076 29.700 0.119 0.000 0.833 213 E HN 0.172 nan 8.360 nan 0.000 0.510 214 G N 1.681 110.519 108.800 0.064 0.000 2.757 214 G HA2 -0.263 3.697 3.960 0.000 0.000 0.638 214 G HA3 -0.263 3.697 3.960 0.000 0.000 0.638 214 G C -0.942 174.015 174.900 0.095 0.000 1.344 214 G CA -0.147 45.021 45.100 0.114 0.000 0.855 214 G HN 0.236 nan 8.290 nan 0.000 0.537 215 K N 0.487 120.755 120.400 -0.220 0.000 2.423 215 K HA 0.633 4.953 4.320 0.000 0.000 0.234 215 K C 0.539 177.111 176.600 -0.048 0.000 1.051 215 K CA 0.077 56.185 56.287 -0.299 0.000 1.021 215 K CB 0.211 32.003 32.500 -1.180 0.000 1.474 215 K HN 1.333 nan 8.250 nan 0.000 0.474 216 A N 4.022 126.910 122.820 0.113 0.000 2.492 216 A HA 0.238 4.558 4.320 0.000 0.000 0.254 216 A C -0.437 177.276 177.584 0.215 0.000 1.091 216 A CA 0.080 52.214 52.037 0.162 0.000 0.768 216 A CB -0.295 18.771 19.000 0.111 0.000 1.028 216 A HN 1.015 nan 8.150 nan 0.000 0.498 217 H N 0.565 119.656 119.070 0.035 0.000 2.947 217 H HA 0.680 5.236 4.556 0.000 0.000 0.290 217 H C -0.084 175.278 175.328 0.058 0.000 1.430 217 H CA -1.225 54.850 56.048 0.045 0.000 1.189 217 H CB 0.738 30.532 29.762 0.054 0.000 1.875 217 H HN 0.646 nan 8.280 nan 0.000 0.568 218 R N 1.088 121.478 120.500 -0.183 0.000 2.537 218 R HA 0.237 4.577 4.340 0.000 0.000 0.280 218 R C -1.031 175.026 176.300 -0.405 0.000 1.058 218 R CA -0.024 55.963 56.100 -0.188 0.000 1.057 218 R CB 0.173 30.465 30.300 -0.013 0.000 0.973 218 R HN 0.507 nan 8.270 nan 0.000 0.438 226 L N 1.551 122.707 121.223 -0.111 0.000 2.079 226 L HA 0.037 4.378 4.340 0.000 0.000 0.210 226 L C 2.306 179.069 176.870 -0.179 0.000 1.081 226 L CA 1.929 56.692 54.840 -0.128 0.000 0.752 226 L CB -0.146 41.919 42.059 0.009 0.000 0.896 226 L HN -0.012 nan 8.230 nan 0.000 0.433 227 R N -1.423 118.961 120.500 -0.192 0.000 2.073 227 R HA -0.146 4.195 4.340 0.000 0.000 0.234 227 R C 2.116 178.322 176.300 -0.156 0.000 1.134 227 R CA 2.033 57.985 56.100 -0.245 0.000 0.952 227 R CB -0.428 29.618 30.300 -0.423 0.000 0.850 227 R HN 0.396 nan 8.270 nan 0.000 0.433 228 T N 0.951 115.439 114.554 -0.110 0.000 2.684 228 T HA -0.224 4.126 4.350 0.000 0.000 0.267 228 T C 1.712 176.387 174.700 -0.041 0.000 1.036 228 T CA 1.667 63.760 62.100 -0.012 0.000 1.148 228 T CB -0.170 68.748 68.868 0.084 0.000 0.863 228 T HN 0.264 nan 8.240 nan 0.000 0.436 229 M N 0.367 119.815 119.600 -0.253 0.000 2.117 229 M HA -0.066 4.414 4.480 0.000 0.000 0.262 229 M C 2.198 178.319 176.300 -0.297 0.000 1.065 229 M CA 1.423 56.427 55.300 -0.493 0.000 1.114 229 M CB -0.244 31.822 32.600 -0.890 0.000 1.361 229 M HN 0.237 nan 8.290 nan 0.000 0.408 230 L N 0.250 121.281 121.223 -0.320 0.000 1.989 230 L HA -0.151 4.189 4.340 0.000 0.000 0.211 230 L C 2.356 179.100 176.870 -0.210 0.000 1.071 230 L CA 2.103 56.714 54.840 -0.382 0.000 0.749 230 L CB -0.846 40.893 42.059 -0.534 0.000 0.890 230 L HN 0.366 nan 8.230 nan 0.000 0.431 231 V N -2.947 116.910 119.914 -0.095 0.000 2.427 231 V HA -0.184 3.936 4.120 0.000 0.000 0.248 231 V C 2.146 178.276 176.094 0.060 0.000 1.051 231 V CA 1.853 64.164 62.300 0.019 0.000 1.048 231 V CB -1.059 30.872 31.823 0.180 0.000 0.666 231 V HN 0.605 nan 8.190 nan 0.000 0.456 232 E N -0.219 120.016 120.200 0.059 0.000 2.107 232 E HA -0.107 4.243 4.350 0.000 0.000 0.191 232 E C 2.256 178.869 176.600 0.023 0.000 0.982 232 E CA 1.483 57.932 56.400 0.081 0.000 0.809 232 E CB -0.319 29.477 29.700 0.161 0.000 0.756 232 E HN 0.707 nan 8.360 nan 0.000 0.459 233 C N 0.608 119.898 119.300 -0.017 0.000 2.446 233 C HA -0.115 4.345 4.460 0.000 0.000 0.277 233 C C 2.407 177.345 174.990 -0.087 0.000 1.275 233 C CA 0.278 59.263 59.018 -0.056 0.000 1.727 233 C CB -0.920 26.765 27.740 -0.092 0.000 2.010 233 C HN 0.428 nan 8.230 nan 0.000 0.486 234 F N 2.363 122.171 119.950 -0.237 0.000 2.134 234 F HA -0.047 4.480 4.527 0.000 0.000 0.299 234 F C 2.316 177.948 175.800 -0.279 0.000 1.097 234 F CA 1.412 59.218 58.000 -0.323 0.000 1.264 234 F CB -0.483 38.194 39.000 -0.539 0.000 1.001 234 F HN 0.149 nan 8.300 nan 0.000 0.479 235 A N 0.463 123.146 122.820 -0.229 0.000 1.933 235 A HA -0.049 4.271 4.320 0.000 0.000 0.218 235 A C 2.447 179.894 177.584 -0.228 0.000 1.175 235 A CA 1.712 53.646 52.037 -0.172 0.000 0.628 235 A CB -1.562 17.477 19.000 0.066 0.000 0.814 235 A HN 0.507 nan 8.150 nan 0.000 0.444 236 A N 0.110 122.824 122.820 -0.177 0.000 1.865 236 A HA -0.166 4.155 4.320 0.000 0.000 0.217 236 A C 2.152 179.607 177.584 -0.215 0.000 1.191 236 A CA 1.711 53.655 52.037 -0.155 0.000 0.623 236 A CB -0.683 18.255 19.000 -0.103 0.000 0.826 236 A HN 0.497 nan 8.150 nan 0.000 0.444 237 I N -0.750 119.652 120.570 -0.280 0.000 2.226 237 I HA -0.315 3.855 4.170 0.000 0.000 0.245 237 I C 2.857 178.782 176.117 -0.321 0.000 1.100 237 I CA 1.845 62.997 61.300 -0.247 0.000 1.374 237 I CB -0.342 37.521 38.000 -0.228 0.000 1.057 237 I HN 0.555 nan 8.210 nan 0.000 0.413 238 Q N 0.689 120.140 119.800 -0.583 0.000 2.096 238 Q HA -0.255 4.085 4.340 0.000 0.000 0.204 238 Q C 2.266 178.102 176.000 -0.273 0.000 0.982 238 Q CA 2.399 57.906 55.803 -0.494 0.000 0.850 238 Q CB -0.054 28.341 28.738 -0.570 0.000 0.901 238 Q HN 0.595 nan 8.270 nan 0.000 0.422 239 S N -0.470 115.100 115.700 -0.217 0.000 2.447 239 S HA -0.070 4.400 4.470 0.000 0.000 0.233 239 S C 1.656 176.176 174.600 -0.133 0.000 1.006 239 S CA 0.691 58.807 58.200 -0.140 0.000 0.957 239 S CB -0.149 62.982 63.200 -0.114 0.000 0.773 239 S HN 0.447 nan 8.310 nan 0.000 0.507 240 L N 1.526 122.649 121.223 -0.167 0.000 2.607 240 L HA 0.160 4.500 4.340 0.000 0.000 0.228 240 L C 2.703 179.615 176.870 0.071 0.000 1.123 240 L CA 0.340 55.074 54.840 -0.176 0.000 0.890 240 L CB -0.381 41.373 42.059 -0.508 0.000 1.103 240 L HN 0.488 nan 8.230 nan 0.000 0.468 241 Q N -0.326 119.432 119.800 -0.069 0.000 2.297 241 Q HA -0.230 4.110 4.340 0.000 0.000 0.208 241 Q C 1.126 176.989 176.000 -0.229 0.000 0.981 241 Q CA 1.485 57.164 55.803 -0.206 0.000 0.876 241 Q CB -0.242 28.244 28.738 -0.420 0.000 0.921 241 Q HN 0.539 nan 8.270 nan 0.000 0.446 242 H N 0.491 119.619 119.070 0.096 0.000 2.539 242 H HA 0.260 4.816 4.556 0.000 0.000 0.269 242 H C -0.032 175.413 175.328 0.195 0.000 0.980 242 H CA 0.003 56.110 56.048 0.098 0.000 1.152 242 H CB 0.331 30.118 29.762 0.042 0.000 1.407 242 H HN 0.328 nan 8.280 nan 0.000 0.564 243 E N 1.373 121.812 120.200 0.398 0.000 2.398 243 E HA 0.111 4.461 4.350 0.000 0.000 0.263 243 E C -0.059 176.860 176.600 0.532 0.000 1.046 243 E CA -0.168 56.480 56.400 0.414 0.000 0.908 243 E CB 2.138 32.075 29.700 0.396 0.000 0.963 243 E HN -0.092 nan 8.360 nan 0.000 0.431 244 V N 2.877 122.997 119.914 0.343 0.000 2.427 244 V HA 0.220 4.340 4.120 0.000 0.000 0.286 244 V C -0.044 176.154 176.094 0.174 0.000 1.034 244 V CA -0.610 61.865 62.300 0.292 0.000 0.893 244 V CB 1.811 33.740 31.823 0.178 0.000 0.982 244 V HN 0.333 nan 8.190 nan 0.000 0.452 245 V N 4.185 124.187 119.914 0.147 0.000 2.444 245 V HA 0.597 4.717 4.120 0.000 0.000 0.294 245 V C 0.833 176.926 176.094 -0.001 0.000 1.022 245 V CA -0.473 61.789 62.300 -0.063 0.000 0.850 245 V CB 1.552 33.185 31.823 -0.317 0.000 0.992 245 V HN 0.969 nan 8.190 nan 0.000 0.426 246 G N 3.644 112.421 108.800 -0.039 0.000 2.771 246 G HA2 0.201 4.161 3.960 0.000 0.000 0.242 246 G HA3 0.201 4.161 3.960 0.000 0.000 0.242 246 G C 0.191 175.081 174.900 -0.017 0.000 1.233 246 G CA -0.235 44.852 45.100 -0.021 0.000 0.858 246 G HN 0.917 nan 8.290 nan 0.000 0.591 247 Q N 0.039 119.838 119.800 -0.003 0.000 2.432 247 Q HA 0.228 4.569 4.340 0.000 0.000 0.264 247 Q C -2.201 173.787 176.000 -0.021 0.000 1.035 247 Q CA -1.097 54.709 55.803 0.006 0.000 0.908 247 Q CB -0.304 28.437 28.738 0.004 0.000 1.280 247 Q HN 0.213 nan 8.270 nan 0.000 0.455 248 P HA -0.074 nan 4.420 nan 0.000 0.263 248 P C -0.944 176.337 177.300 -0.032 0.000 1.168 248 P CA 0.568 63.648 63.100 -0.034 0.000 0.759 248 P CB 0.388 32.071 31.700 -0.029 0.000 0.782 249 A N 3.634 126.431 122.820 -0.038 0.000 2.388 249 A HA 0.443 4.763 4.320 0.000 0.000 0.280 249 A C 0.272 177.872 177.584 0.027 0.000 1.377 249 A CA -0.699 51.329 52.037 -0.014 0.000 0.863 249 A CB -0.006 18.980 19.000 -0.024 0.000 1.416 249 A HN 0.533 nan 8.150 nan 0.000 0.517 250 I N 1.043 121.647 120.570 0.056 0.000 2.598 250 I HA 0.118 4.288 4.170 0.000 0.000 0.284 250 I C 0.340 176.585 176.117 0.213 0.000 1.140 250 I CA 0.859 62.229 61.300 0.116 0.000 1.420 250 I CB 0.006 38.072 38.000 0.111 0.000 1.387 250 I HN 0.644 nan 8.210 nan 0.000 0.553 251 H N 7.523 126.627 119.070 0.057 0.000 3.108 251 H HA 0.491 5.047 4.556 0.000 0.000 0.329 251 H C -1.228 174.101 175.328 0.002 0.000 0.978 251 H CA -0.914 55.147 56.048 0.023 0.000 1.413 251 H CB 0.946 30.681 29.762 -0.046 0.000 1.670 251 H HN 0.611 nan 8.280 nan 0.000 0.512 252 R N 3.575 123.998 120.500 -0.128 0.000 2.744 252 R HA 0.270 4.611 4.340 0.000 0.000 0.279 252 R C -1.116 174.896 176.300 -0.480 0.000 0.977 252 R CA -0.997 54.955 56.100 -0.247 0.000 0.906 252 R CB 2.984 33.335 30.300 0.085 0.000 1.197 252 R HN 0.664 nan 8.270 nan 0.000 0.463 253 Q N 0.707 120.232 119.800 -0.458 0.000 2.285 253 Q HA 0.329 4.669 4.340 0.000 0.000 0.269 253 Q C -0.968 174.860 176.000 -0.287 0.000 1.030 253 Q CA -0.900 54.612 55.803 -0.484 0.000 0.788 253 Q CB 2.552 31.048 28.738 -0.405 0.000 1.266 253 Q HN 0.495 nan 8.270 nan 0.000 0.438 254 E N 2.623 122.635 120.200 -0.314 0.000 2.529 254 E HA -0.126 4.225 4.350 0.000 0.000 0.259 254 E C -0.459 176.176 176.600 0.058 0.000 0.966 254 E CA 0.052 56.430 56.400 -0.036 0.000 0.937 254 E CB 0.562 30.285 29.700 0.038 0.000 0.923 254 E HN 0.544 nan 8.360 nan 0.000 0.468 255 H N 6.398 125.448 119.070 -0.035 0.000 3.004 255 H HA 0.098 4.654 4.556 0.000 0.000 0.316 255 H C -2.162 173.064 175.328 -0.171 0.000 1.014 255 H CA -1.440 54.560 56.048 -0.080 0.000 1.454 255 H CB 0.624 30.337 29.762 -0.082 0.000 1.472 255 H HN 0.343 nan 8.280 nan 0.000 0.571 256 P HA 0.134 nan 4.420 nan 0.000 0.275 256 P C -0.270 176.579 177.300 -0.751 0.000 1.228 256 P CA -0.034 62.374 63.100 -1.153 0.000 0.786 256 P CB 1.235 32.429 31.700 -0.843 0.000 0.927 257 H N 0.560 119.239 119.070 -0.651 0.000 2.505 257 H HA 0.291 4.847 4.556 0.000 0.000 0.358 257 H C 0.851 176.128 175.328 -0.085 0.000 1.304 257 H CA -0.772 55.183 56.048 -0.154 0.000 1.393 257 H CB 0.910 30.720 29.762 0.079 0.000 1.591 257 H HN 0.275 nan 8.280 nan 0.000 0.595 258 R N 0.939 121.511 120.500 0.121 0.000 2.590 258 R HA 0.047 4.387 4.340 0.000 0.000 0.274 258 R C -0.423 175.930 176.300 0.088 0.000 1.061 258 R CA -0.352 55.797 56.100 0.083 0.000 1.081 258 R CB 0.560 30.894 30.300 0.057 0.000 0.984 258 R HN 0.307 nan 8.270 nan 0.000 0.448 259 V N 4.261 124.191 119.914 0.026 0.000 2.694 259 V HA 0.025 4.145 4.120 0.000 0.000 0.306 259 V C -1.836 174.185 176.094 -0.121 0.000 1.054 259 V CA -1.216 61.041 62.300 -0.070 0.000 1.161 259 V CB -0.080 31.531 31.823 -0.353 0.000 0.916 259 V HN 0.695 nan 8.190 nan 0.000 0.490 260 P HA 0.140 nan 4.420 nan 0.000 0.268 260 P C 0.988 178.133 177.300 -0.259 0.000 1.205 260 P CA -0.146 62.839 63.100 -0.193 0.000 0.771 260 P CB 0.744 32.254 31.700 -0.317 0.000 0.858 261 V N 2.858 122.687 119.914 -0.143 0.000 2.287 261 V HA -0.289 3.831 4.120 0.000 0.000 0.248 261 V C 2.346 178.382 176.094 -0.097 0.000 1.053 261 V CA 2.322 64.564 62.300 -0.097 0.000 1.027 261 V CB -1.475 30.338 31.823 -0.017 0.000 0.646 261 V HN 0.791 nan 8.190 nan 0.000 0.447 262 H N -0.805 118.255 119.070 -0.016 0.000 2.457 262 H HA -0.130 4.427 4.556 0.000 0.000 0.297 262 H C 2.159 177.486 175.328 -0.001 0.000 1.092 262 H CA 2.100 58.146 56.048 -0.005 0.000 1.309 262 H CB -0.308 29.458 29.762 0.006 0.000 1.382 262 H HN 0.443 nan 8.280 nan 0.000 0.535 263 I N 1.291 121.599 120.570 -0.437 0.000 2.277 263 I HA -0.095 4.075 4.170 0.000 0.000 0.243 263 I C 3.038 179.086 176.117 -0.115 0.000 1.094 263 I CA 0.812 61.992 61.300 -0.200 0.000 1.393 263 I CB -0.348 37.504 38.000 -0.247 0.000 1.078 263 I HN 0.304 nan 8.210 nan 0.000 0.417 264 A N 0.273 122.951 122.820 -0.236 0.000 2.019 264 A HA -0.172 4.148 4.320 0.000 0.000 0.219 264 A C 1.804 179.351 177.584 -0.062 0.000 1.164 264 A CA 1.417 53.291 52.037 -0.270 0.000 0.644 264 A CB -0.490 18.234 19.000 -0.459 0.000 0.805 264 A HN 0.463 nan 8.150 nan 0.000 0.449 265 E N -0.440 119.738 120.200 -0.037 0.000 2.370 265 E HA 0.097 4.447 4.350 0.000 0.000 0.194 265 E C 0.133 176.751 176.600 0.030 0.000 1.057 265 E CA -0.311 56.093 56.400 0.006 0.000 1.011 265 E CB 0.059 29.764 29.700 0.008 0.000 1.132 265 E HN 0.732 nan 8.360 nan 0.000 0.450 266 R N -1.386 119.143 120.500 0.047 0.000 2.892 266 R HA 0.609 4.949 4.340 0.000 0.000 0.265 266 R C -0.848 175.480 176.300 0.047 0.000 1.025 266 R CA -0.793 55.340 56.100 0.054 0.000 0.982 266 R CB 1.329 31.680 30.300 0.085 0.000 1.185 266 R HN -0.186 nan 8.270 nan 0.000 0.484 267 V N 2.054 121.983 119.914 0.024 0.000 2.357 267 V HA 0.283 4.403 4.120 0.000 0.000 0.284 267 V C 1.274 177.385 176.094 0.028 0.000 1.018 267 V CA -0.107 62.186 62.300 -0.012 0.000 0.841 267 V CB 1.392 33.158 31.823 -0.095 0.000 0.991 267 V HN 1.093 nan 8.190 nan 0.000 0.437 268 G N 4.474 113.329 108.800 0.092 0.000 2.516 268 G HA2 -0.127 3.833 3.960 0.000 0.000 0.221 268 G HA3 -0.127 3.833 3.960 0.000 0.000 0.221 268 G C 0.309 175.406 174.900 0.329 0.000 1.107 268 G CA 1.944 47.179 45.100 0.226 0.000 0.747 268 G HN 0.963 nan 8.290 nan 0.000 0.567 269 Y N -3.307 117.012 120.300 0.031 0.000 2.814 269 Y HA 0.511 5.061 4.550 0.000 0.000 0.348 269 Y C -1.880 174.026 175.900 0.010 0.000 1.245 269 Y CA -2.136 55.979 58.100 0.026 0.000 1.086 269 Y CB 0.513 38.987 38.460 0.024 0.000 1.373 269 Y HN -0.128 nan 8.280 nan 0.000 0.451 270 D N 1.203 121.706 120.400 0.172 0.000 2.380 270 D HA 0.299 4.939 4.640 0.000 0.000 0.230 270 D C 0.678 177.051 176.300 0.121 0.000 1.154 270 D CA -0.031 54.008 54.000 0.065 0.000 0.859 270 D CB 1.782 42.642 40.800 0.099 0.000 1.045 270 D HN 0.544 nan 8.370 nan 0.000 0.495 271 V N 4.336 124.204 119.914 -0.077 0.000 2.261 271 V HA -0.198 3.922 4.120 0.000 0.000 0.246 271 V C 2.381 178.515 176.094 0.066 0.000 1.047 271 V CA 1.788 64.079 62.300 -0.015 0.000 1.015 271 V CB -0.497 31.228 31.823 -0.163 0.000 0.642 271 V HN 0.669 nan 8.190 nan 0.000 0.446 272 E N 0.180 120.404 120.200 0.040 0.000 2.049 272 E HA -0.301 4.050 4.350 0.000 0.000 0.198 272 E C 2.257 178.930 176.600 0.122 0.000 1.007 272 E CA 1.734 58.172 56.400 0.064 0.000 0.809 272 E CB -0.259 29.465 29.700 0.040 0.000 0.749 272 E HN 0.551 nan 8.360 nan 0.000 0.450 273 A N 0.176 123.078 122.820 0.136 0.000 1.908 273 A HA -0.196 4.124 4.320 0.000 0.000 0.218 273 A C 2.382 180.077 177.584 0.185 0.000 1.181 273 A CA 2.203 54.346 52.037 0.176 0.000 0.627 273 A CB -0.965 18.124 19.000 0.148 0.000 0.818 273 A HN 0.362 nan 8.150 nan 0.000 0.445 274 T N 0.511 115.172 114.554 0.178 0.000 2.746 274 T HA -0.083 4.268 4.350 0.000 0.000 0.267 274 T C 1.810 176.583 174.700 0.122 0.000 1.039 274 T CA 1.472 63.656 62.100 0.140 0.000 1.142 274 T CB -0.410 68.535 68.868 0.128 0.000 0.866 274 T HN 0.387 nan 8.240 nan 0.000 0.444 275 L N 0.041 121.344 121.223 0.133 0.000 2.042 275 L HA -0.159 4.181 4.340 0.000 0.000 0.210 275 L C 2.554 179.552 176.870 0.213 0.000 1.076 275 L CA 1.687 56.617 54.840 0.150 0.000 0.749 275 L CB -0.708 41.433 42.059 0.138 0.000 0.893 275 L HN 0.460 nan 8.230 nan 0.000 0.432 276 H N -0.023 119.102 119.070 0.092 0.000 2.319 276 H HA -0.226 4.330 4.556 0.000 0.000 0.299 276 H C 2.456 177.847 175.328 0.105 0.000 1.092 276 H CA 1.321 57.422 56.048 0.088 0.000 1.302 276 H CB 0.297 30.102 29.762 0.071 0.000 1.373 276 H HN 0.029 nan 8.280 nan 0.000 0.497 277 R N 0.920 121.499 120.500 0.131 0.000 2.159 277 R HA -0.104 4.236 4.340 0.000 0.000 0.237 277 R C 2.156 178.542 176.300 0.143 0.000 1.131 277 R CA 0.807 56.956 56.100 0.083 0.000 0.982 277 R CB -0.868 29.541 30.300 0.182 0.000 0.868 277 R HN 0.357 nan 8.270 nan 0.000 0.453 278 L N -0.279 121.039 121.223 0.159 0.000 2.275 278 L HA 0.082 4.422 4.340 0.000 0.000 0.215 278 L C 1.510 178.553 176.870 0.289 0.000 1.119 278 L CA 1.598 56.540 54.840 0.169 0.000 0.790 278 L CB -0.148 42.010 42.059 0.165 0.000 0.919 278 L HN 0.246 nan 8.230 nan 0.000 0.443 279 M N -1.474 118.305 119.600 0.297 0.000 2.431 279 M HA 0.121 4.601 4.480 0.000 0.000 0.237 279 M C 0.144 176.678 176.300 0.389 0.000 1.130 279 M CA 0.211 55.753 55.300 0.403 0.000 1.002 279 M CB 0.212 32.984 32.600 0.286 0.000 1.524 279 M HN 0.168 nan 8.290 nan 0.000 0.482 280 Q N -0.996 118.910 119.800 0.176 0.000 2.306 280 Q HA 0.329 4.669 4.340 0.000 0.000 0.269 280 Q C -0.293 175.665 176.000 -0.069 0.000 1.053 280 Q CA -0.964 54.821 55.803 -0.030 0.000 0.879 280 Q CB 1.162 29.716 28.738 -0.307 0.000 1.344 280 Q HN 0.201 nan 8.270 nan 0.000 0.464 281 H N -1.624 117.464 119.070 0.030 0.000 2.820 281 H HA -0.185 4.371 4.556 0.000 0.000 0.295 281 H C -1.101 174.173 175.328 -0.091 0.000 1.187 281 H CA 0.598 56.626 56.048 -0.034 0.000 1.144 281 H CB -1.660 28.053 29.762 -0.082 0.000 1.354 281 H HN 0.513 nan 8.280 nan 0.000 0.395 282 W N 0.082 121.433 121.300 0.086 0.000 2.086 282 W HA 0.422 5.082 4.660 0.000 0.000 0.355 282 W C 0.671 177.213 176.519 0.039 0.000 1.313 282 W CA 0.562 57.938 57.345 0.053 0.000 1.358 282 W CB 1.000 30.476 29.460 0.027 0.000 1.166 282 W HN 0.022 nan 8.180 nan 0.000 0.630 283 T N 1.289 116.055 114.554 0.353 0.000 3.159 283 T HA 0.131 4.481 4.350 0.000 0.000 0.343 283 T C -2.128 172.676 174.700 0.172 0.000 1.364 283 T CA -0.868 61.339 62.100 0.179 0.000 1.102 283 T CB 1.706 70.624 68.868 0.083 0.000 1.263 283 T HN -0.003 nan 8.240 nan 0.000 0.477 284 P HA -0.036 nan 4.420 nan 0.000 0.216 284 P C 1.503 178.832 177.300 0.047 0.000 1.150 284 P CA 0.733 63.872 63.100 0.066 0.000 0.837 284 P CB 0.289 32.011 31.700 0.036 0.000 0.786 285 R N 0.099 120.613 120.500 0.023 0.000 2.105 285 R HA -0.180 4.160 4.340 0.000 0.000 0.239 285 R C 2.258 178.525 176.300 -0.055 0.000 1.135 285 R CA 1.608 57.696 56.100 -0.022 0.000 0.967 285 R CB -0.505 29.771 30.300 -0.040 0.000 0.861 285 R HN 0.213 nan 8.270 nan 0.000 0.442 286 Q N -0.531 119.258 119.800 -0.018 0.000 2.084 286 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 286 Q C 2.115 178.171 176.000 0.092 0.000 0.978 286 Q CA 1.748 57.531 55.803 -0.034 0.000 0.844 286 Q CB 0.073 28.800 28.738 -0.020 0.000 0.898 286 Q HN 0.215 nan 8.270 nan 0.000 0.426 287 V N 1.056 121.088 119.914 0.197 0.000 2.392 287 V HA -0.277 3.843 4.120 0.000 0.000 0.249 287 V C 2.056 178.185 176.094 0.059 0.000 1.059 287 V CA 2.039 64.429 62.300 0.151 0.000 1.051 287 V CB -0.503 31.360 31.823 0.067 0.000 0.658 287 V HN 0.379 nan 8.190 nan 0.000 0.455 288 E N -0.260 119.953 120.200 0.023 0.000 2.046 288 E HA -0.174 4.176 4.350 0.000 0.000 0.190 288 E C 2.171 178.765 176.600 -0.010 0.000 0.982 288 E CA 0.753 57.153 56.400 0.001 0.000 0.800 288 E CB -0.041 29.652 29.700 -0.011 0.000 0.756 288 E HN 0.321 nan 8.360 nan 0.000 0.449 289 L N 1.039 122.217 121.223 -0.074 0.000 2.129 289 L HA -0.207 4.134 4.340 0.000 0.000 0.212 289 L C 2.198 179.108 176.870 0.067 0.000 1.087 289 L CA 1.416 56.176 54.840 -0.134 0.000 0.757 289 L CB -0.879 40.885 42.059 -0.493 0.000 0.896 289 L HN 0.311 nan 8.230 nan 0.000 0.434 290 L N -1.038 120.254 121.223 0.117 0.000 2.265 290 L HA -0.207 4.134 4.340 0.000 0.000 0.215 290 L C 2.325 179.358 176.870 0.271 0.000 1.117 290 L CA 0.488 55.481 54.840 0.255 0.000 0.782 290 L CB -0.324 41.807 42.059 0.120 0.000 0.914 290 L HN 0.220 nan 8.230 nan 0.000 0.441 291 E N 0.514 120.792 120.200 0.131 0.000 2.267 291 E HA -0.197 4.153 4.350 0.000 0.000 0.197 291 E C 1.945 178.580 176.600 0.059 0.000 0.998 291 E CA 1.072 57.518 56.400 0.077 0.000 0.830 291 E CB -0.195 29.522 29.700 0.029 0.000 0.751 291 E HN 0.461 nan 8.360 nan 0.000 0.491 292 L N -0.672 120.571 121.223 0.033 0.000 2.554 292 L HA 0.091 4.432 4.340 0.000 0.000 0.226 292 L C 0.077 176.799 176.870 -0.247 0.000 1.137 292 L CA -0.124 54.604 54.840 -0.185 0.000 0.863 292 L CB 0.008 41.817 42.059 -0.416 0.000 0.985 292 L HN -0.022 nan 8.230 nan 0.000 0.451 293 F N -0.675 119.308 119.950 0.054 0.000 2.483 293 F HA 0.300 4.827 4.527 0.000 0.000 0.329 293 F C 1.214 177.055 175.800 0.068 0.000 1.064 293 F CA -1.235 56.815 58.000 0.082 0.000 0.986 293 F CB 0.942 40.004 39.000 0.103 0.000 1.218 293 F HN -0.184 nan 8.300 nan 0.000 0.484 294 T N -2.031 112.688 114.554 0.275 0.000 2.908 294 T HA -0.004 4.346 4.350 0.000 0.000 0.325 294 T C 1.143 175.935 174.700 0.152 0.000 1.092 294 T CA -0.131 62.076 62.100 0.178 0.000 1.125 294 T CB 0.511 69.485 68.868 0.178 0.000 1.016 294 T HN 0.691 nan 8.240 nan 0.000 0.550 295 T N 3.632 118.245 114.554 0.098 0.000 2.624 295 T HA -0.076 4.274 4.350 0.000 0.000 0.268 295 T C -0.668 174.050 174.700 0.030 0.000 1.041 295 T CA 1.861 63.996 62.100 0.057 0.000 1.159 295 T CB -1.530 67.363 68.868 0.041 0.000 0.863 295 T HN 0.611 nan 8.240 nan 0.000 0.434 296 P HA -0.049 nan 4.420 nan 0.000 0.216 296 P C 1.652 178.917 177.300 -0.059 0.000 1.153 296 P CA 0.689 63.816 63.100 0.045 0.000 0.858 296 P CB -0.239 31.553 31.700 0.153 0.000 0.789 297 V N -0.168 119.787 119.914 0.068 0.000 2.323 297 V HA -0.198 3.922 4.120 0.000 0.000 0.244 297 V C 2.723 178.720 176.094 -0.162 0.000 1.041 297 V CA 1.820 64.146 62.300 0.043 0.000 1.025 297 V CB -1.005 30.971 31.823 0.255 0.000 0.656 297 V HN 0.045 nan 8.190 nan 0.000 0.451 298 R N 0.137 120.619 120.500 -0.030 0.000 2.080 298 R HA -0.206 4.134 4.340 0.000 0.000 0.236 298 R C 2.350 178.570 176.300 -0.132 0.000 1.137 298 R CA 1.986 58.068 56.100 -0.030 0.000 0.943 298 R CB -0.280 30.053 30.300 0.054 0.000 0.846 298 R HN 0.424 nan 8.270 nan 0.000 0.431 299 E N -0.254 119.851 120.200 -0.158 0.000 2.077 299 E HA -0.123 4.227 4.350 0.000 0.000 0.193 299 E C 1.908 178.308 176.600 -0.333 0.000 0.989 299 E CA 1.392 57.678 56.400 -0.191 0.000 0.800 299 E CB -0.622 28.995 29.700 -0.138 0.000 0.746 299 E HN 0.615 nan 8.360 nan 0.000 0.452 300 G N 1.662 110.076 108.800 -0.644 0.000 2.514 300 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 300 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 300 G C 1.641 176.138 174.900 -0.672 0.000 1.198 300 G CA 0.629 45.007 45.100 -1.204 0.000 0.780 300 G HN 0.225 nan 8.290 nan 0.000 0.565 301 L N -0.024 120.923 121.223 -0.460 0.000 2.083 301 L HA -0.005 4.335 4.340 0.000 0.000 0.209 301 L C 3.164 180.085 176.870 0.086 0.000 1.083 301 L CA 1.083 55.938 54.840 0.025 0.000 0.752 301 L CB -0.331 41.795 42.059 0.112 0.000 0.899 301 L HN 0.260 nan 8.230 nan 0.000 0.433 302 R N -0.989 119.462 120.500 -0.082 0.000 2.096 302 R HA -0.152 4.189 4.340 0.000 0.000 0.235 302 R C 2.026 178.178 176.300 -0.246 0.000 1.127 302 R CA 1.867 57.843 56.100 -0.206 0.000 0.968 302 R CB -0.385 29.808 30.300 -0.180 0.000 0.861 302 R HN 0.365 nan 8.270 nan 0.000 0.440 303 T N 0.181 114.638 114.554 -0.161 0.000 2.778 303 T HA -0.190 4.160 4.350 0.000 0.000 0.269 303 T C 1.837 176.492 174.700 -0.075 0.000 1.050 303 T CA 1.178 63.206 62.100 -0.120 0.000 1.137 303 T CB -0.366 68.447 68.868 -0.091 0.000 0.860 303 T HN 0.390 nan 8.240 nan 0.000 0.468 304 C N 1.721 121.029 119.300 0.013 0.000 2.443 304 C HA -0.030 4.430 4.460 0.000 0.000 0.290 304 C C 2.655 177.689 174.990 0.072 0.000 1.476 304 C CA 0.147 59.257 59.018 0.153 0.000 1.772 304 C CB -1.405 26.569 27.740 0.389 0.000 1.714 304 C HN 0.619 nan 8.230 nan 0.000 0.562 305 Q N 0.087 119.697 119.800 -0.317 0.000 2.172 305 Q HA -0.086 4.254 4.340 0.000 0.000 0.200 305 Q C 2.268 178.155 176.000 -0.189 0.000 0.964 305 Q CA 1.123 56.617 55.803 -0.513 0.000 0.855 305 Q CB -0.014 28.233 28.738 -0.818 0.000 0.918 305 Q HN 0.695 nan 8.270 nan 0.000 0.444 306 R N 0.043 120.467 120.500 -0.127 0.000 2.142 306 R HA 0.149 4.489 4.340 0.000 0.000 0.204 306 R C 0.592 176.886 176.300 -0.010 0.000 1.059 306 R CA 0.434 56.496 56.100 -0.063 0.000 1.055 306 R CB 0.513 30.768 30.300 -0.076 0.000 0.976 306 R HN 0.089 nan 8.270 nan 0.000 0.483 307 R N 0.471 120.976 120.500 0.008 0.000 2.680 307 R HA 0.414 4.754 4.340 0.000 0.000 0.269 307 R C -3.220 173.128 176.300 0.081 0.000 1.026 307 R CA -2.141 53.982 56.100 0.039 0.000 0.889 307 R CB 1.393 31.699 30.300 0.009 0.000 1.241 307 R HN -0.252 nan 8.270 nan 0.000 0.463 308 P HA 0.174 nan 4.420 nan 0.000 0.267 308 P C -1.227 176.158 177.300 0.142 0.000 1.205 308 P CA -0.004 63.213 63.100 0.194 0.000 0.765 308 P CB 1.168 33.015 31.700 0.245 0.000 0.828 309 A N 3.165 126.105 122.820 0.201 0.000 2.422 309 A HA 0.717 5.037 4.320 0.000 0.000 0.302 309 A C -0.487 177.279 177.584 0.303 0.000 1.041 309 A CA -0.480 51.605 52.037 0.080 0.000 0.708 309 A CB 0.531 19.597 19.000 0.111 0.000 1.257 309 A HN 0.558 nan 8.150 nan 0.000 0.414 310 F N -0.097 119.953 119.950 0.167 0.000 3.043 310 F HA 0.240 4.767 4.527 0.000 0.000 0.400 310 F C 0.894 176.523 175.800 -0.285 0.000 1.022 310 F CA -0.274 57.629 58.000 -0.161 0.000 1.005 310 F CB -0.363 38.539 39.000 -0.163 0.000 1.338 310 F HN 0.368 nan 8.300 nan 0.000 0.543 311 N N 2.294 120.840 118.700 -0.257 0.000 2.192 311 N HA -0.199 4.541 4.740 0.000 0.000 0.188 311 N C 1.716 177.215 175.510 -0.018 0.000 1.013 311 N CA 2.181 55.176 53.050 -0.092 0.000 0.863 311 N CB -0.699 37.717 38.487 -0.119 0.000 0.990 311 N HN 0.636 nan 8.380 nan 0.000 0.430 312 F N -0.375 119.581 119.950 0.011 0.000 2.333 312 F HA 0.076 4.603 4.527 0.000 0.000 0.300 312 F C 1.238 177.100 175.800 0.104 0.000 1.083 312 F CA 0.306 58.338 58.000 0.052 0.000 1.395 312 F CB -0.468 38.559 39.000 0.044 0.000 1.056 312 F HN -0.125 nan 8.300 nan 0.000 0.529 313 M N 3.345 122.487 119.600 -0.763 0.000 3.590 313 M HA 0.214 4.694 4.480 0.000 0.000 0.214 313 M C -0.619 175.611 176.300 -0.117 0.000 1.306 313 M CA -1.145 53.868 55.300 -0.478 0.000 1.479 313 M CB -1.342 30.808 32.600 -0.751 0.000 1.083 313 M HN 0.328 nan 8.290 nan 0.000 0.617 314 D N -0.971 119.448 120.400 0.031 0.000 2.447 314 D HA 0.040 4.680 4.640 0.000 0.000 0.265 314 D C 0.806 177.240 176.300 0.222 0.000 1.250 314 D CA -0.273 53.790 54.000 0.105 0.000 1.046 314 D CB 0.343 41.214 40.800 0.118 0.000 1.095 314 D HN 0.468 nan 8.370 nan 0.000 0.555 315 E N -1.275 119.079 120.200 0.256 0.000 2.086 315 E HA -0.263 4.087 4.350 0.000 0.000 0.205 315 E C 1.879 178.745 176.600 0.443 0.000 1.027 315 E CA 1.645 58.253 56.400 0.348 0.000 0.830 315 E CB -0.028 29.801 29.700 0.215 0.000 0.751 315 E HN 0.357 nan 8.360 nan 0.000 0.456 316 M N -0.284 119.508 119.600 0.320 0.000 2.200 316 M HA -0.011 4.469 4.480 0.000 0.000 0.265 316 M C 2.258 178.729 176.300 0.284 0.000 1.066 316 M CA 1.277 56.757 55.300 0.300 0.000 1.127 316 M CB -1.167 31.566 32.600 0.222 0.000 1.379 316 M HN 0.189 nan 8.290 nan 0.000 0.420 317 A N -0.495 122.497 122.820 0.286 0.000 1.908 317 A HA -0.234 4.086 4.320 0.000 0.000 0.218 317 A C 2.202 180.001 177.584 0.359 0.000 1.181 317 A CA 1.496 53.715 52.037 0.304 0.000 0.627 317 A CB -1.314 17.868 19.000 0.304 0.000 0.818 317 A HN 0.756 nan 8.150 nan 0.000 0.445 318 W N 0.532 121.941 121.300 0.183 0.000 2.388 318 W HA -0.115 4.545 4.660 0.000 0.000 0.294 318 W C 2.235 178.848 176.519 0.156 0.000 1.212 318 W CA 1.469 58.921 57.345 0.177 0.000 1.271 318 W CB -0.090 29.483 29.460 0.188 0.000 1.126 318 W HN 0.432 nan 8.180 nan 0.000 0.535 319 A N 0.997 123.861 122.820 0.074 0.000 1.898 319 A HA -0.080 4.240 4.320 0.000 0.000 0.216 319 A C 2.119 179.678 177.584 -0.041 0.000 1.181 319 A CA 2.349 54.259 52.037 -0.212 0.000 0.620 319 A CB -1.271 17.632 19.000 -0.163 0.000 0.819 319 A HN 0.304 nan 8.150 nan 0.000 0.442 320 A N -0.898 121.994 122.820 0.120 0.000 1.877 320 A HA -0.102 4.218 4.320 0.000 0.000 0.216 320 A C 2.304 179.986 177.584 0.163 0.000 1.186 320 A CA 2.329 54.476 52.037 0.183 0.000 0.620 320 A CB -1.342 17.776 19.000 0.197 0.000 0.822 320 A HN 0.420 nan 8.150 nan 0.000 0.443 321 T N -1.714 112.922 114.554 0.137 0.000 2.720 321 T HA -0.182 4.168 4.350 0.000 0.000 0.268 321 T C 1.751 176.420 174.700 -0.053 0.000 1.037 321 T CA 1.690 63.897 62.100 0.178 0.000 1.144 321 T CB -0.428 68.492 68.868 0.087 0.000 0.864 321 T HN 0.543 nan 8.240 nan 0.000 0.444 322 Y N 1.085 121.090 120.300 -0.491 0.000 2.181 322 Y HA -0.230 4.320 4.550 0.000 0.000 0.288 322 Y C 2.723 178.436 175.900 -0.311 0.000 1.146 322 Y CA 1.557 59.309 58.100 -0.580 0.000 1.164 322 Y CB -0.124 37.851 38.460 -0.808 0.000 0.982 322 Y HN 0.350 nan 8.280 nan 0.000 0.515 323 H N -1.613 117.482 119.070 0.042 0.000 2.357 323 H HA -0.141 4.415 4.556 0.000 0.000 0.301 323 H C 2.441 177.761 175.328 -0.013 0.000 1.082 323 H CA 1.744 57.802 56.048 0.017 0.000 1.342 323 H CB -0.510 29.245 29.762 -0.012 0.000 1.389 323 H HN 0.274 nan 8.280 nan 0.000 0.511 324 V N 1.333 121.302 119.914 0.092 0.000 2.295 324 V HA -0.231 3.890 4.120 0.000 0.000 0.246 324 V C 2.849 178.948 176.094 0.008 0.000 1.049 324 V CA 1.274 63.569 62.300 -0.008 0.000 1.024 324 V CB -0.688 30.948 31.823 -0.311 0.000 0.648 324 V HN 0.224 nan 8.190 nan 0.000 0.447 325 L N -0.776 120.454 121.223 0.011 0.000 2.012 325 L HA -0.219 4.121 4.340 0.000 0.000 0.210 325 L C 2.440 179.367 176.870 0.095 0.000 1.073 325 L CA 1.602 56.433 54.840 -0.016 0.000 0.748 325 L CB -0.544 41.282 42.059 -0.388 0.000 0.891 325 L HN 0.290 nan 8.230 nan 0.000 0.431 326 L N -0.544 120.740 121.223 0.101 0.000 2.127 326 L HA -0.258 4.082 4.340 0.000 0.000 0.211 326 L C 2.558 179.390 176.870 -0.063 0.000 1.089 326 L CA 1.442 56.301 54.840 0.031 0.000 0.757 326 L CB -0.344 41.706 42.059 -0.015 0.000 0.899 326 L HN 0.381 nan 8.230 nan 0.000 0.434 327 E N -1.342 118.797 120.200 -0.101 0.000 2.276 327 E HA -0.111 4.239 4.350 0.000 0.000 0.193 327 E C 1.334 177.655 176.600 -0.465 0.000 0.983 327 E CA 0.514 56.754 56.400 -0.266 0.000 0.861 327 E CB 0.318 29.838 29.700 -0.300 0.000 0.817 327 E HN 0.609 nan 8.360 nan 0.000 0.485 328 H N -1.942 117.005 119.070 -0.205 0.000 3.255 328 H HA 0.156 4.712 4.556 0.000 0.000 0.256 328 H C -0.444 174.349 175.328 -0.892 0.000 1.049 328 H CA -0.457 55.366 56.048 -0.375 0.000 1.202 328 H CB 0.441 30.062 29.762 -0.235 0.000 1.497 328 H HN 0.015 nan 8.280 nan 0.000 0.503 329 F N 3.202 122.645 119.950 -0.847 0.000 2.571 329 F HA 0.067 4.594 4.527 0.000 0.000 0.384 329 F C 0.056 175.433 175.800 -0.705 0.000 1.058 329 F CA -0.205 57.151 58.000 -1.073 0.000 1.200 329 F CB 0.577 39.394 39.000 -0.305 0.000 1.077 329 F HN 0.012 nan 8.300 nan 0.000 0.558 330 Q N 8.611 127.517 119.800 -1.490 0.000 2.390 330 Q HA 0.296 4.636 4.340 0.000 0.000 0.249 330 Q C -2.347 173.153 176.000 -0.834 0.000 0.996 330 Q CA -2.109 53.224 55.803 -0.785 0.000 0.899 330 Q CB 1.207 29.710 28.738 -0.392 0.000 1.216 330 Q HN 0.413 nan 8.270 nan 0.000 0.465 331 P HA 0.036 nan 4.420 nan 0.000 0.265 331 P C 0.769 178.006 177.300 -0.106 0.000 1.193 331 P CA 0.751 63.769 63.100 -0.137 0.000 0.765 331 P CB 0.703 32.466 31.700 0.104 0.000 0.823 332 G N 1.904 110.682 108.800 -0.036 0.000 2.241 332 G HA2 -0.221 3.739 3.960 0.000 0.000 0.244 332 G HA3 -0.221 3.739 3.960 0.000 0.000 0.244 332 G C 0.152 175.041 174.900 -0.019 0.000 0.998 332 G CA 0.031 45.124 45.100 -0.011 0.000 0.621 332 G HN 0.655 nan 8.290 nan 0.000 0.519 333 D N 1.571 121.942 120.400 -0.048 0.000 2.325 333 D HA 0.421 5.061 4.640 0.000 0.000 0.251 333 D C -0.553 175.766 176.300 0.032 0.000 1.196 333 D CA -1.812 52.197 54.000 0.016 0.000 0.866 333 D CB 1.413 42.276 40.800 0.105 0.000 1.101 333 D HN 0.140 nan 8.370 nan 0.000 0.476 334 P HA -0.080 nan 4.420 nan 0.000 0.218 334 P C 0.737 178.033 177.300 -0.007 0.000 1.149 334 P CA 0.724 63.823 63.100 -0.001 0.000 0.817 334 P CB 0.456 32.142 31.700 -0.022 0.000 0.785 335 D N -1.910 118.473 120.400 -0.030 0.000 2.149 335 D HA -0.108 4.532 4.640 0.000 0.000 0.201 335 D C 1.898 178.128 176.300 -0.117 0.000 0.972 335 D CA 0.965 54.903 54.000 -0.105 0.000 0.835 335 D CB -0.612 40.084 40.800 -0.174 0.000 0.966 335 D HN 0.244 nan 8.370 nan 0.000 0.476 336 W N 1.713 122.985 121.300 -0.048 0.000 2.388 336 W HA -0.067 4.593 4.660 0.000 0.000 0.294 336 W C 2.461 179.066 176.519 0.144 0.000 1.212 336 W CA 0.560 57.889 57.345 -0.026 0.000 1.271 336 W CB -0.022 29.236 29.460 -0.336 0.000 1.126 336 W HN 0.026 nan 8.180 nan 0.000 0.535 337 E N -0.082 120.317 120.200 0.332 0.000 2.072 337 E HA -0.257 4.093 4.350 0.000 0.000 0.191 337 E C 1.865 178.610 176.600 0.242 0.000 0.985 337 E CA 1.425 58.041 56.400 0.360 0.000 0.801 337 E CB -0.180 29.644 29.700 0.207 0.000 0.750 337 E HN 0.086 nan 8.360 nan 0.000 0.452 338 E N 0.909 121.178 120.200 0.115 0.000 2.110 338 E HA -0.176 4.174 4.350 0.000 0.000 0.193 338 E C 1.838 178.481 176.600 0.072 0.000 0.988 338 E CA 0.631 57.069 56.400 0.063 0.000 0.804 338 E CB -0.142 29.523 29.700 -0.058 0.000 0.745 338 E HN 0.114 nan 8.360 nan 0.000 0.458 339 L N -0.085 121.165 121.223 0.044 0.000 2.056 339 L HA -0.021 4.319 4.340 0.000 0.000 0.207 339 L C 2.266 179.209 176.870 0.121 0.000 1.078 339 L CA 1.414 56.256 54.840 0.003 0.000 0.749 339 L CB -0.798 41.232 42.059 -0.048 0.000 0.901 339 L HN 0.350 nan 8.230 nan 0.000 0.433 340 L N -1.147 120.232 121.223 0.260 0.000 2.012 340 L HA -0.257 4.083 4.340 0.000 0.000 0.210 340 L C 2.362 179.340 176.870 0.180 0.000 1.073 340 L CA 1.993 56.930 54.840 0.162 0.000 0.748 340 L CB -0.952 41.139 42.059 0.053 0.000 0.891 340 L HN 0.351 nan 8.230 nan 0.000 0.431 341 F N 0.296 120.290 119.950 0.074 0.000 2.095 341 F HA -0.272 4.255 4.527 0.000 0.000 0.298 341 F C 2.335 178.232 175.800 0.163 0.000 1.104 341 F CA 2.030 60.095 58.000 0.107 0.000 1.232 341 F CB -0.149 38.877 39.000 0.044 0.000 0.987 341 F HN 0.034 nan 8.300 nan 0.000 0.475 342 K N -0.186 120.183 120.400 -0.052 0.000 2.057 342 K HA -0.137 4.183 4.320 0.000 0.000 0.206 342 K C 1.920 178.480 176.600 -0.066 0.000 1.050 342 K CA 1.034 57.228 56.287 -0.155 0.000 0.935 342 K CB -0.464 31.961 32.500 -0.126 0.000 0.715 342 K HN 0.216 nan 8.250 nan 0.000 0.439 343 L N 0.357 121.605 121.223 0.042 0.000 1.971 343 L HA -0.219 4.121 4.340 0.000 0.000 0.215 343 L C 2.188 179.175 176.870 0.195 0.000 1.072 343 L CA 1.744 56.679 54.840 0.160 0.000 0.758 343 L CB -1.291 40.877 42.059 0.181 0.000 0.889 343 L HN 0.345 nan 8.230 nan 0.000 0.433 344 W N 0.437 121.734 121.300 -0.004 0.000 2.318 344 W HA -0.265 4.395 4.660 0.000 0.000 0.313 344 W C 2.572 178.847 176.519 -0.405 0.000 1.221 344 W CA 2.526 59.729 57.345 -0.236 0.000 1.266 344 W CB -0.634 28.748 29.460 -0.130 0.000 1.150 344 W HN 0.084 nan 8.180 nan 0.000 0.496 345 T N 0.028 114.315 114.554 -0.444 0.000 2.699 345 T HA -0.295 4.055 4.350 0.000 0.000 0.268 345 T C 1.756 176.137 174.700 -0.532 0.000 1.036 345 T CA 2.967 64.658 62.100 -0.682 0.000 1.147 345 T CB -0.941 67.547 68.868 -0.632 0.000 0.862 345 T HN 0.461 nan 8.240 nan 0.000 0.446 346 T N 0.512 114.876 114.554 -0.317 0.000 2.788 346 T HA -0.103 4.248 4.350 0.000 0.000 0.268 346 T C 1.988 176.451 174.700 -0.395 0.000 1.044 346 T CA 1.160 63.113 62.100 -0.244 0.000 1.139 346 T CB -0.241 68.574 68.868 -0.089 0.000 0.867 346 T HN 0.166 nan 8.240 nan 0.000 0.454 347 R N 1.348 121.534 120.500 -0.523 0.000 2.073 347 R HA 0.034 4.374 4.340 0.000 0.000 0.234 347 R C 2.317 178.255 176.300 -0.604 0.000 1.134 347 R CA 1.552 57.270 56.100 -0.636 0.000 0.952 347 R CB -1.314 28.290 30.300 -1.160 0.000 0.850 347 R HN 0.372 nan 8.270 nan 0.000 0.433 348 V N 0.880 120.313 119.914 -0.802 0.000 2.332 348 V HA -0.250 3.870 4.120 0.000 0.000 0.248 348 V C 2.372 178.221 176.094 -0.407 0.000 1.055 348 V CA 1.993 63.884 62.300 -0.681 0.000 1.038 348 V CB -0.493 30.694 31.823 -1.060 0.000 0.651 348 V HN 0.297 nan 8.190 nan 0.000 0.450 349 L N 0.256 121.179 121.223 -0.500 0.000 2.056 349 L HA -0.175 4.165 4.340 0.000 0.000 0.207 349 L C 2.587 179.111 176.870 -0.577 0.000 1.078 349 L CA 1.824 56.307 54.840 -0.595 0.000 0.749 349 L CB -0.746 40.778 42.059 -0.893 0.000 0.901 349 L HN 0.454 nan 8.230 nan 0.000 0.433 350 N N 0.038 118.521 118.700 -0.362 0.000 2.084 350 N HA -0.291 4.449 4.740 0.000 0.000 0.190 350 N C 2.082 177.500 175.510 -0.153 0.000 1.030 350 N CA 1.814 54.788 53.050 -0.127 0.000 0.849 350 N CB -0.176 38.248 38.487 -0.105 0.000 1.012 350 N HN 0.367 nan 8.380 nan 0.000 0.423 351 Y N 1.773 121.889 120.300 -0.308 0.000 2.181 351 Y HA -0.152 4.399 4.550 0.000 0.000 0.288 351 Y C 2.425 178.156 175.900 -0.283 0.000 1.146 351 Y CA 2.253 60.159 58.100 -0.323 0.000 1.164 351 Y CB -0.815 37.451 38.460 -0.324 0.000 0.982 351 Y HN -0.005 nan 8.280 nan 0.000 0.515 352 T N 1.308 115.668 114.554 -0.323 0.000 2.652 352 T HA -0.205 4.145 4.350 0.000 0.000 0.267 352 T C 1.769 176.249 174.700 -0.368 0.000 1.039 352 T CA 2.143 64.026 62.100 -0.361 0.000 1.153 352 T CB -0.226 68.549 68.868 -0.154 0.000 0.863 352 T HN 0.316 nan 8.240 nan 0.000 0.428 353 M N 1.342 120.770 119.600 -0.287 0.000 2.334 353 M HA 0.061 4.541 4.480 0.000 0.000 0.266 353 M C 2.599 178.786 176.300 -0.188 0.000 1.082 353 M CA 1.318 56.506 55.300 -0.187 0.000 1.141 353 M CB -1.656 30.915 32.600 -0.048 0.000 1.380 353 M HN 0.458 nan 8.290 nan 0.000 0.440 354 T N -3.035 111.385 114.554 -0.224 0.000 3.037 354 T HA 0.191 4.542 4.350 0.000 0.000 0.252 354 T C 1.640 176.140 174.700 -0.333 0.000 1.073 354 T CA 0.318 62.283 62.100 -0.224 0.000 1.091 354 T CB -0.032 68.745 68.868 -0.152 0.000 0.935 354 T HN 0.097 nan 8.240 nan 0.000 0.488 355 V N 0.933 120.559 119.914 -0.479 0.000 3.001 355 V HA 0.456 4.576 4.120 0.000 0.000 0.228 355 V C 3.035 178.824 176.094 -0.507 0.000 1.204 355 V CA 0.573 62.557 62.300 -0.526 0.000 1.247 355 V CB -0.816 30.514 31.823 -0.823 0.000 1.093 355 V HN 0.461 nan 8.190 nan 0.000 0.504 356 A N 0.088 122.443 122.820 -0.775 0.000 1.940 356 A HA -0.189 4.131 4.320 0.000 0.000 0.219 356 A C 2.012 179.420 177.584 -0.294 0.000 1.176 356 A CA 1.879 53.592 52.037 -0.541 0.000 0.631 356 A CB -0.582 18.074 19.000 -0.573 0.000 0.814 356 A HN 0.398 nan 8.150 nan 0.000 0.446 357 L N -0.397 120.648 121.223 -0.296 0.000 2.549 357 L HA 0.013 4.353 4.340 0.000 0.000 0.229 357 L C 2.067 178.819 176.870 -0.198 0.000 1.158 357 L CA 1.199 55.913 54.840 -0.211 0.000 0.842 357 L CB -0.628 41.311 42.059 -0.200 0.000 0.952 357 L HN 0.328 nan 8.230 nan 0.000 0.452 358 R N -0.765 119.587 120.500 -0.246 0.000 2.300 358 R HA 0.381 4.721 4.340 0.000 0.000 0.199 358 R C 0.474 176.700 176.300 -0.125 0.000 0.920 358 R CA 0.536 56.469 56.100 -0.278 0.000 1.046 358 R CB 0.193 30.120 30.300 -0.620 0.000 0.984 358 R HN 0.387 nan 8.270 nan 0.000 0.493 359 G N -0.476 108.292 108.800 -0.053 0.000 2.428 359 G HA2 -0.261 3.699 3.960 0.000 0.000 0.681 359 G HA3 -0.261 3.699 3.960 0.000 0.000 0.681 359 G C -0.403 174.551 174.900 0.090 0.000 1.340 359 G CA -0.571 44.552 45.100 0.039 0.000 0.915 359 G HN 0.110 nan 8.290 nan 0.000 0.645 360 Y N 0.513 120.830 120.300 0.029 0.000 2.114 360 Y HA -0.109 4.441 4.550 0.000 0.000 0.284 360 Y C 2.497 178.438 175.900 0.069 0.000 1.143 360 Y CA 2.798 60.924 58.100 0.044 0.000 1.135 360 Y CB 0.072 38.558 38.460 0.044 0.000 0.980 360 Y HN 0.572 nan 8.280 nan 0.000 0.499 361 D N -0.780 119.716 120.400 0.160 0.000 2.097 361 D HA -0.252 4.388 4.640 0.000 0.000 0.195 361 D C 1.973 178.283 176.300 0.017 0.000 0.989 361 D CA 1.774 55.826 54.000 0.087 0.000 0.827 361 D CB -0.965 39.925 40.800 0.149 0.000 0.966 361 D HN 0.503 nan 8.370 nan 0.000 0.456 362 Y N 1.665 121.944 120.300 -0.035 0.000 2.151 362 Y HA -0.283 4.267 4.550 0.000 0.000 0.284 362 Y C 2.313 178.171 175.900 -0.071 0.000 1.166 362 Y CA 2.074 60.147 58.100 -0.045 0.000 1.163 362 Y CB -0.249 38.175 38.460 -0.060 0.000 0.974 362 Y HN -0.037 nan 8.280 nan 0.000 0.511 363 A N 0.111 122.937 122.820 0.011 0.000 1.883 363 A HA -0.237 4.083 4.320 0.000 0.000 0.217 363 A C 2.137 179.615 177.584 -0.178 0.000 1.186 363 A CA 1.860 53.848 52.037 -0.081 0.000 0.624 363 A CB -0.698 18.211 19.000 -0.152 0.000 0.822 363 A HN 0.581 nan 8.150 nan 0.000 0.444 364 Q N -0.431 119.198 119.800 -0.287 0.000 2.020 364 Q HA -0.277 4.064 4.340 0.000 0.000 0.202 364 Q C 2.346 178.281 176.000 -0.108 0.000 0.982 364 Q CA 2.151 57.810 55.803 -0.241 0.000 0.838 364 Q CB -0.513 28.128 28.738 -0.161 0.000 0.899 364 Q HN 0.986 nan 8.270 nan 0.000 0.423 365 Q N -0.254 119.486 119.800 -0.100 0.000 2.135 365 Q HA -0.225 4.115 4.340 0.000 0.000 0.204 365 Q C 1.883 177.773 176.000 -0.183 0.000 0.981 365 Q CA 1.878 57.623 55.803 -0.096 0.000 0.856 365 Q CB -1.052 27.603 28.738 -0.138 0.000 0.902 365 Q HN 0.444 nan 8.270 nan 0.000 0.425 366 Y N 0.793 120.851 120.300 -0.403 0.000 2.145 366 Y HA -0.159 4.391 4.550 0.000 0.000 0.286 366 Y C 1.798 177.498 175.900 -0.332 0.000 1.145 366 Y CA 1.840 59.719 58.100 -0.368 0.000 1.148 366 Y CB -0.159 38.100 38.460 -0.335 0.000 0.981 366 Y HN 0.150 nan 8.280 nan 0.000 0.507 367 L N -1.217 119.753 121.223 -0.423 0.000 2.046 367 L HA -0.264 4.076 4.340 0.000 0.000 0.208 367 L C 2.250 178.722 176.870 -0.662 0.000 1.077 367 L CA 1.459 55.811 54.840 -0.813 0.000 0.747 367 L CB -0.795 40.282 42.059 -1.637 0.000 0.896 367 L HN 0.258 nan 8.230 nan 0.000 0.432 368 Y N 0.102 120.215 120.300 -0.312 0.000 2.145 368 Y HA -0.232 4.318 4.550 0.000 0.000 0.286 368 Y C 2.769 178.529 175.900 -0.233 0.000 1.145 368 Y CA 1.273 59.290 58.100 -0.138 0.000 1.148 368 Y CB -0.502 37.922 38.460 -0.060 0.000 0.981 368 Y HN 0.022 nan 8.280 nan 0.000 0.507 369 R N -0.466 119.938 120.500 -0.160 0.000 2.127 369 R HA -0.216 4.124 4.340 0.000 0.000 0.238 369 R C 2.384 178.458 176.300 -0.376 0.000 1.134 369 R CA 1.650 57.603 56.100 -0.244 0.000 0.975 369 R CB -0.413 29.733 30.300 -0.257 0.000 0.865 369 R HN 0.420 nan 8.270 nan 0.000 0.447 370 M N 0.783 120.035 119.600 -0.580 0.000 2.067 370 M HA -0.182 4.298 4.480 0.000 0.000 0.260 370 M C 1.926 177.883 176.300 -0.571 0.000 1.069 370 M CA 1.761 56.625 55.300 -0.726 0.000 1.117 370 M CB -0.053 32.038 32.600 -0.848 0.000 1.334 370 M HN 0.153 nan 8.290 nan 0.000 0.407 371 L N -0.170 120.882 121.223 -0.285 0.000 2.042 371 L HA -0.167 4.173 4.340 0.000 0.000 0.210 371 L C 2.672 179.472 176.870 -0.116 0.000 1.076 371 L CA 1.471 56.244 54.840 -0.111 0.000 0.749 371 L CB -1.595 40.427 42.059 -0.061 0.000 0.893 371 L HN 0.519 nan 8.230 nan 0.000 0.432 372 G N -0.199 108.511 108.800 -0.150 0.000 2.421 372 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 372 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 372 G C 1.744 176.636 174.900 -0.012 0.000 1.171 372 G CA 0.553 45.607 45.100 -0.077 0.000 0.775 372 G HN 0.279 nan 8.290 nan 0.000 0.543 373 R N -0.748 119.696 120.500 -0.094 0.000 2.083 373 R HA -0.065 4.275 4.340 0.000 0.000 0.237 373 R C 2.395 178.777 176.300 0.137 0.000 1.137 373 R CA 1.508 57.596 56.100 -0.020 0.000 0.951 373 R CB -0.563 29.663 30.300 -0.124 0.000 0.851 373 R HN 0.557 nan 8.270 nan 0.000 0.434 374 Y N 0.244 120.556 120.300 0.021 0.000 2.145 374 Y HA -0.234 4.316 4.550 0.000 0.000 0.286 374 Y C 2.719 178.632 175.900 0.022 0.000 1.145 374 Y CA 0.745 58.856 58.100 0.019 0.000 1.148 374 Y CB -0.096 38.352 38.460 -0.020 0.000 0.981 374 Y HN 0.054 nan 8.280 nan 0.000 0.507 375 R N -0.687 119.918 120.500 0.175 0.000 2.083 375 R HA -0.247 4.093 4.340 0.000 0.000 0.237 375 R C 2.151 178.509 176.300 0.097 0.000 1.137 375 R CA 2.047 58.203 56.100 0.092 0.000 0.951 375 R CB -0.730 29.610 30.300 0.067 0.000 0.851 375 R HN 0.421 nan 8.270 nan 0.000 0.434 376 Y N 1.562 121.879 120.300 0.028 0.000 2.114 376 Y HA -0.314 4.236 4.550 0.000 0.000 0.284 376 Y C 2.802 178.729 175.900 0.044 0.000 1.143 376 Y CA 1.943 60.061 58.100 0.030 0.000 1.135 376 Y CB -0.148 38.332 38.460 0.034 0.000 0.980 376 Y HN 0.098 nan 8.280 nan 0.000 0.499 377 Q N 0.263 120.160 119.800 0.162 0.000 2.077 377 Q HA -0.277 4.064 4.340 0.000 0.000 0.206 377 Q C 2.305 178.300 176.000 -0.008 0.000 0.989 377 Q CA 1.864 57.715 55.803 0.080 0.000 0.853 377 Q CB -0.429 28.419 28.738 0.185 0.000 0.907 377 Q HN 0.609 nan 8.270 nan 0.000 0.418 378 A N 0.792 123.621 122.820 0.015 0.000 1.902 378 A HA -0.114 4.206 4.320 0.000 0.000 0.217 378 A C 2.298 179.852 177.584 -0.051 0.000 1.181 378 A CA 1.823 53.852 52.037 -0.015 0.000 0.623 378 A CB -0.942 18.051 19.000 -0.012 0.000 0.818 378 A HN 0.581 nan 8.150 nan 0.000 0.443 379 A N -0.434 122.330 122.820 -0.094 0.000 1.972 379 A HA -0.002 4.318 4.320 0.000 0.000 0.219 379 A C 2.133 179.661 177.584 -0.095 0.000 1.169 379 A CA 1.289 53.283 52.037 -0.072 0.000 0.635 379 A CB -0.529 18.395 19.000 -0.127 0.000 0.810 379 A HN 0.487 nan 8.150 nan 0.000 0.446 380 L N 0.102 121.210 121.223 -0.192 0.000 1.971 380 L HA -0.257 4.083 4.340 0.000 0.000 0.215 380 L C 3.004 179.828 176.870 -0.077 0.000 1.072 380 L CA 2.126 56.868 54.840 -0.163 0.000 0.758 380 L CB -0.643 41.310 42.059 -0.177 0.000 0.889 380 L HN 0.657 nan 8.230 nan 0.000 0.433 381 E N 0.408 120.571 120.200 -0.062 0.000 2.005 381 E HA -0.047 4.303 4.350 0.000 0.000 0.191 381 E C 0.926 177.508 176.600 -0.029 0.000 0.987 381 E CA 1.312 57.683 56.400 -0.048 0.000 0.814 381 E CB -0.582 29.078 29.700 -0.067 0.000 0.772 381 E HN 0.571 nan 8.360 nan 0.000 0.453 382 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