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 2y4k_1_B 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 DTLYTFVTVA DATA SEQUENCE AGVSIYECYI PEGKAXXXYG GLDDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.479 174.600 -0.202 0.000 1.055 2 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 2 S CB 0.000 63.212 63.200 0.019 0.000 0.593 3 L N 3.636 124.865 121.223 0.010 0.000 2.292 3 L HA 0.761 5.102 4.340 0.002 0.000 0.284 3 L C -1.009 175.797 176.870 -0.108 0.000 1.065 3 L CA -0.075 54.768 54.840 0.004 0.000 0.806 3 L CB 1.112 43.322 42.059 0.251 0.000 1.175 3 L HN 0.483 nan 8.230 nan 0.000 0.431 4 V N 6.094 125.912 119.914 -0.160 0.000 2.384 4 V HA 0.497 4.619 4.120 0.002 0.000 0.287 4 V C -0.381 175.491 176.094 -0.371 0.000 1.020 4 V CA -0.639 61.494 62.300 -0.278 0.000 0.850 4 V CB 1.730 33.389 31.823 -0.274 0.000 0.987 4 V HN 0.544 nan 8.190 nan 0.000 0.436 5 V N 5.434 125.012 119.914 -0.559 0.000 2.513 5 V HA 0.557 4.679 4.120 0.002 0.000 0.299 5 V C -0.818 175.003 176.094 -0.454 0.000 1.035 5 V CA -0.522 61.509 62.300 -0.448 0.000 0.889 5 V CB 1.698 33.159 31.823 -0.604 0.000 0.988 5 V HN 0.694 nan 8.190 nan 0.000 0.440 6 F N 5.690 125.671 119.950 0.052 0.000 2.430 6 F HA 0.478 5.006 4.527 0.002 0.000 0.362 6 F C -2.261 173.679 175.800 0.234 0.000 1.103 6 F CA -2.525 55.547 58.000 0.119 0.000 1.045 6 F CB 1.896 40.907 39.000 0.017 0.000 1.276 6 F HN 0.292 nan 8.300 nan 0.000 0.444 7 P HA 0.223 nan 4.420 nan 0.000 0.276 7 P C -0.977 176.532 177.300 0.348 0.000 1.230 7 P CA -0.045 63.238 63.100 0.304 0.000 0.776 7 P CB 0.706 32.539 31.700 0.221 0.000 0.888 8 F N 1.062 121.087 119.950 0.126 0.000 2.601 8 F HA 0.690 5.218 4.527 0.002 0.000 0.309 8 F C 0.180 176.041 175.800 0.101 0.000 1.089 8 F CA -1.046 57.011 58.000 0.095 0.000 0.940 8 F CB 1.909 40.948 39.000 0.065 0.000 1.273 8 F HN 0.218 nan 8.300 nan 0.000 0.450 9 K N 0.668 121.146 120.400 0.130 0.000 2.847 9 K HA 0.344 4.665 4.320 0.002 0.000 0.251 9 K C 0.068 176.740 176.600 0.121 0.000 1.299 9 K CA 0.429 56.733 56.287 0.029 0.000 0.926 9 K CB -0.080 32.338 32.500 -0.136 0.000 1.824 9 K HN 0.941 nan 8.250 nan 0.000 0.388 10 H N 2.077 121.177 119.070 0.051 0.000 2.432 10 H HA 0.371 4.928 4.556 0.002 0.000 0.226 10 H C -1.006 174.310 175.328 -0.020 0.000 1.634 10 H CA -0.754 55.311 56.048 0.028 0.000 1.253 10 H CB -0.023 29.726 29.762 -0.023 0.000 1.584 10 H HN 0.187 nan 8.280 nan 0.000 0.545 11 E N 0.885 121.110 120.200 0.041 0.000 2.222 11 E HA 0.229 4.580 4.350 0.002 0.000 0.272 11 E C -0.590 175.958 176.600 -0.087 0.000 0.982 11 E CA -1.033 55.342 56.400 -0.041 0.000 0.842 11 E CB 1.028 30.756 29.700 0.047 0.000 1.144 11 E HN 0.706 nan 8.360 nan 0.000 0.397 12 H N 2.599 121.671 119.070 0.003 0.000 2.848 12 H HA 0.037 4.594 4.556 0.002 0.000 0.317 12 H C -1.359 173.932 175.328 -0.061 0.000 1.046 12 H CA -1.611 54.424 56.048 -0.021 0.000 1.470 12 H CB 0.374 30.119 29.762 -0.028 0.000 1.483 12 H HN 0.206 nan 8.280 nan 0.000 0.548 13 P HA -0.214 nan 4.420 nan 0.000 0.215 13 P C 1.343 178.600 177.300 -0.071 0.000 1.157 13 P CA 1.462 64.535 63.100 -0.045 0.000 0.874 13 P CB 0.396 32.083 31.700 -0.022 0.000 0.790 14 E N 0.320 120.500 120.200 -0.035 0.000 2.077 14 E HA -0.100 4.251 4.350 0.002 0.000 0.193 14 E C 2.032 178.599 176.600 -0.055 0.000 0.989 14 E CA 1.251 57.618 56.400 -0.054 0.000 0.800 14 E CB -1.609 28.053 29.700 -0.063 0.000 0.746 14 E HN 0.085 nan 8.360 nan 0.000 0.452 15 V N 1.774 121.665 119.914 -0.038 0.000 2.287 15 V HA -0.269 3.852 4.120 0.002 0.000 0.248 15 V C 2.612 178.633 176.094 -0.122 0.000 1.053 15 V CA 1.965 64.240 62.300 -0.043 0.000 1.027 15 V CB -0.789 31.033 31.823 -0.003 0.000 0.646 15 V HN 0.197 nan 8.190 nan 0.000 0.447 16 L N -0.570 120.536 121.223 -0.195 0.000 2.072 16 L HA -0.017 4.324 4.340 0.002 0.000 0.205 16 L C 2.192 178.812 176.870 -0.416 0.000 1.079 16 L CA 1.632 56.247 54.840 -0.376 0.000 0.752 16 L CB -0.495 41.321 42.059 -0.406 0.000 0.906 16 L HN 0.171 nan 8.230 nan 0.000 0.436 17 L N -0.644 120.416 121.223 -0.271 0.000 2.079 17 L HA -0.279 4.062 4.340 0.002 0.000 0.210 17 L C 2.708 179.477 176.870 -0.168 0.000 1.081 17 L CA 1.697 56.407 54.840 -0.217 0.000 0.752 17 L CB -0.956 41.020 42.059 -0.138 0.000 0.896 17 L HN 0.532 nan 8.230 nan 0.000 0.433 18 H N 0.590 119.535 119.070 -0.208 0.000 2.290 18 H HA -0.196 4.361 4.556 0.002 0.000 0.298 18 H C 1.987 177.203 175.328 -0.187 0.000 1.087 18 H CA 2.084 58.034 56.048 -0.163 0.000 1.291 18 H CB 0.206 29.889 29.762 -0.133 0.000 1.369 18 H HN 0.358 nan 8.280 nan 0.000 0.492 19 N N 0.442 118.888 118.700 -0.423 0.000 2.149 19 N HA -0.133 4.608 4.740 0.002 0.000 0.188 19 N C 2.213 177.402 175.510 -0.536 0.000 1.019 19 N CA 1.143 53.846 53.050 -0.577 0.000 0.857 19 N CB -0.541 37.375 38.487 -0.951 0.000 0.997 19 N HN 0.194 nan 8.380 nan 0.000 0.426 20 V N 1.431 120.978 119.914 -0.612 0.000 2.343 20 V HA -0.192 3.929 4.120 0.002 0.000 0.247 20 V C 2.358 178.371 176.094 -0.135 0.000 1.051 20 V CA 1.506 63.610 62.300 -0.327 0.000 1.036 20 V CB -0.367 31.274 31.823 -0.304 0.000 0.654 20 V HN 0.277 nan 8.190 nan 0.000 0.451 21 R N -0.605 119.793 120.500 -0.170 0.000 2.092 21 R HA -0.086 4.255 4.340 0.002 0.000 0.231 21 R C 2.258 178.498 176.300 -0.100 0.000 1.119 21 R CA 1.208 57.242 56.100 -0.111 0.000 0.970 21 R CB -0.455 29.790 30.300 -0.091 0.000 0.864 21 R HN 0.401 nan 8.270 nan 0.000 0.440 22 V N 0.983 120.802 119.914 -0.159 0.000 2.295 22 V HA -0.265 3.857 4.120 0.002 0.000 0.246 22 V C 2.412 178.516 176.094 0.017 0.000 1.049 22 V CA 2.113 64.348 62.300 -0.108 0.000 1.024 22 V CB -0.669 31.059 31.823 -0.158 0.000 0.648 22 V HN 0.414 nan 8.190 nan 0.000 0.447 23 A N -0.264 122.642 122.820 0.143 0.000 1.930 23 A HA -0.015 4.307 4.320 0.002 0.000 0.217 23 A C 2.394 180.014 177.584 0.060 0.000 1.175 23 A CA 1.791 53.916 52.037 0.147 0.000 0.627 23 A CB -0.691 18.478 19.000 0.282 0.000 0.815 23 A HN 0.562 nan 8.150 nan 0.000 0.443 24 A N -0.137 122.707 122.820 0.040 0.000 1.933 24 A HA 0.194 4.515 4.320 0.002 0.000 0.218 24 A C 2.348 179.936 177.584 0.006 0.000 1.175 24 A CA 1.824 53.869 52.037 0.013 0.000 0.628 24 A CB -0.779 18.222 19.000 0.002 0.000 0.814 24 A HN 1.044 nan 8.150 nan 0.000 0.444 25 A N -1.674 121.148 122.820 0.003 0.000 2.167 25 A HA 0.013 4.335 4.320 0.002 0.000 0.214 25 A C 1.170 178.748 177.584 -0.011 0.000 1.151 25 A CA 0.187 52.216 52.037 -0.013 0.000 0.735 25 A CB -0.562 18.419 19.000 -0.031 0.000 0.802 25 A HN 0.622 nan 8.150 nan 0.000 0.467 26 H N 0.409 119.432 119.070 -0.078 0.000 2.722 26 H HA 0.169 4.727 4.556 0.002 0.000 0.328 26 H C -1.881 173.393 175.328 -0.091 0.000 1.067 26 H CA -1.546 54.449 56.048 -0.089 0.000 1.447 26 H CB 1.255 30.953 29.762 -0.108 0.000 1.469 26 H HN 0.017 nan 8.280 nan 0.000 0.544 27 P HA -0.062 nan 4.420 nan 0.000 0.226 27 P C 0.710 177.986 177.300 -0.038 0.000 1.146 27 P CA 1.213 64.226 63.100 -0.145 0.000 0.773 27 P CB 0.240 31.815 31.700 -0.207 0.000 0.772 28 R N -1.840 118.755 120.500 0.158 0.000 2.437 28 R HA 0.194 4.535 4.340 0.002 0.000 0.257 28 R C -0.249 175.919 176.300 -0.221 0.000 0.927 28 R CA -0.025 56.085 56.100 0.017 0.000 1.078 28 R CB 0.748 31.149 30.300 0.168 0.000 1.161 28 R HN 0.023 nan 8.270 nan 0.000 0.529 29 V N 1.759 121.573 119.914 -0.166 0.000 2.368 29 V HA 0.079 4.200 4.120 0.002 0.000 0.266 29 V C 0.741 176.615 176.094 -0.366 0.000 1.045 29 V CA -0.187 61.945 62.300 -0.280 0.000 0.899 29 V CB 0.937 32.665 31.823 -0.158 0.000 1.006 29 V HN 0.294 nan 8.190 nan 0.000 0.470 30 H N 2.441 121.251 119.070 -0.433 0.000 2.428 30 H HA 0.139 4.697 4.556 0.002 0.000 0.296 30 H C 0.916 175.960 175.328 -0.474 0.000 1.062 30 H CA 1.093 56.723 56.048 -0.697 0.000 1.350 30 H CB 0.639 29.319 29.762 -1.803 0.000 1.403 30 H HN 0.670 nan 8.280 nan 0.000 0.533 31 E N 0.265 120.308 120.200 -0.262 0.000 2.363 31 E HA 0.335 4.686 4.350 0.002 0.000 0.281 31 E C -1.797 174.806 176.600 0.004 0.000 0.953 31 E CA -0.581 55.815 56.400 -0.007 0.000 0.778 31 E CB 1.997 31.854 29.700 0.262 0.000 1.220 31 E HN -0.123 nan 8.360 nan 0.000 0.431 32 V N 3.954 123.896 119.914 0.047 0.000 2.435 32 V HA 0.500 4.621 4.120 0.002 0.000 0.290 32 V C -0.570 175.546 176.094 0.037 0.000 1.030 32 V CA -0.800 61.529 62.300 0.049 0.000 0.881 32 V CB 1.308 33.188 31.823 0.095 0.000 0.983 32 V HN 0.584 nan 8.190 nan 0.000 0.445 33 L N 5.560 126.782 121.223 -0.001 0.000 2.349 33 L HA 0.667 5.008 4.340 0.002 0.000 0.278 33 L C -0.500 176.395 176.870 0.043 0.000 0.996 33 L CA 0.170 54.969 54.840 -0.068 0.000 0.825 33 L CB 1.292 43.214 42.059 -0.229 0.000 1.243 33 L HN 0.759 nan 8.230 nan 0.000 0.412 34 C N 5.448 124.789 119.300 0.068 0.000 2.307 34 C HA 0.596 5.058 4.460 0.002 0.000 0.340 34 C C 0.143 175.286 174.990 0.255 0.000 1.275 34 C CA -0.712 58.439 59.018 0.223 0.000 1.811 34 C CB 0.199 28.001 27.740 0.103 0.000 2.372 34 C HN 0.728 nan 8.230 nan 0.000 0.531 35 I N 3.306 124.051 120.570 0.292 0.000 2.354 35 I HA 0.608 4.779 4.170 0.002 0.000 0.286 35 I C 0.479 176.493 176.117 -0.172 0.000 1.007 35 I CA 0.439 61.804 61.300 0.107 0.000 1.167 35 I CB 0.666 38.731 38.000 0.108 0.000 1.320 35 I HN 0.763 nan 8.210 nan 0.000 0.458 36 G N 4.997 113.553 108.800 -0.406 0.000 2.389 36 G HA2 0.162 4.123 3.960 0.002 0.000 0.317 36 G HA3 0.162 4.123 3.960 0.002 0.000 0.317 36 G C -0.071 174.603 174.900 -0.377 0.000 1.137 36 G CA -0.351 44.120 45.100 -1.049 0.000 0.870 36 G HN 0.664 nan 8.290 nan 0.000 0.496 37 Y N 0.792 120.809 120.300 -0.471 0.000 2.114 37 Y HA -0.022 4.529 4.550 0.002 0.000 0.284 37 Y C 1.308 177.123 175.900 -0.141 0.000 1.143 37 Y CA 2.090 60.051 58.100 -0.232 0.000 1.135 37 Y CB 0.310 38.657 38.460 -0.189 0.000 0.980 37 Y HN 0.650 nan 8.280 nan 0.000 0.499 38 E N -0.604 119.510 120.200 -0.144 0.000 2.445 38 E HA 0.216 4.567 4.350 0.002 0.000 0.279 38 E C -1.120 175.421 176.600 -0.098 0.000 1.018 38 E CA -1.165 55.120 56.400 -0.191 0.000 0.816 38 E CB 0.906 30.494 29.700 -0.185 0.000 1.356 38 E HN 0.108 nan 8.360 nan 0.000 0.462 39 R N 1.623 121.951 120.500 -0.287 0.000 2.474 39 R HA 0.018 4.359 4.340 0.002 0.000 0.339 39 R C -0.816 175.439 176.300 -0.074 0.000 1.033 39 R CA 0.714 56.567 56.100 -0.411 0.000 0.997 39 R CB -0.213 29.789 30.300 -0.496 0.000 0.963 39 R HN 0.545 nan 8.270 nan 0.000 0.438 40 D N 1.884 122.357 120.400 0.122 0.000 2.758 40 D HA 0.017 4.658 4.640 0.002 0.000 0.279 40 D C 0.326 176.732 176.300 0.177 0.000 1.111 40 D CA -0.563 53.525 54.000 0.147 0.000 1.109 40 D CB 0.372 41.277 40.800 0.175 0.000 1.428 40 D HN 0.365 nan 8.370 nan 0.000 0.586 41 Q N -0.737 119.144 119.800 0.135 0.000 2.135 41 Q HA -0.105 4.237 4.340 0.002 0.000 0.204 41 Q C 1.755 177.825 176.000 0.117 0.000 0.981 41 Q CA 2.336 58.205 55.803 0.110 0.000 0.856 41 Q CB -0.311 28.477 28.738 0.083 0.000 0.902 41 Q HN 0.575 nan 8.270 nan 0.000 0.425 42 T N 0.088 114.728 114.554 0.143 0.000 2.701 42 T HA -0.194 4.157 4.350 0.002 0.000 0.263 42 T C 1.437 176.186 174.700 0.082 0.000 1.040 42 T CA 1.280 63.423 62.100 0.073 0.000 1.147 42 T CB -0.553 68.356 68.868 0.069 0.000 0.865 42 T HN 0.329 nan 8.240 nan 0.000 0.426 43 Y N 2.040 122.450 120.300 0.184 0.000 2.081 43 Y HA -0.222 4.329 4.550 0.002 0.000 0.280 43 Y C 2.345 178.296 175.900 0.085 0.000 1.163 43 Y CA 1.676 59.918 58.100 0.237 0.000 1.135 43 Y CB -0.350 38.293 38.460 0.305 0.000 0.970 43 Y HN 0.305 nan 8.280 nan 0.000 0.498 44 E N -0.536 119.882 120.200 0.364 0.000 2.106 44 E HA -0.142 4.209 4.350 0.002 0.000 0.192 44 E C 2.355 179.011 176.600 0.092 0.000 0.984 44 E CA 0.847 57.384 56.400 0.228 0.000 0.806 44 E CB -0.347 29.450 29.700 0.161 0.000 0.750 44 E HN 0.548 nan 8.360 nan 0.000 0.458 45 A N 0.709 123.558 122.820 0.048 0.000 1.978 45 A HA -0.169 4.152 4.320 0.002 0.000 0.220 45 A C 2.394 179.944 177.584 -0.057 0.000 1.170 45 A CA 1.304 53.336 52.037 -0.009 0.000 0.636 45 A CB -0.472 18.515 19.000 -0.023 0.000 0.810 45 A HN 0.136 nan 8.150 nan 0.000 0.448 46 V N -0.653 119.195 119.914 -0.110 0.000 2.488 46 V HA -0.165 3.956 4.120 0.002 0.000 0.246 46 V C 2.347 178.371 176.094 -0.117 0.000 1.046 46 V CA 1.861 64.057 62.300 -0.173 0.000 1.053 46 V CB -0.668 30.960 31.823 -0.326 0.000 0.679 46 V HN 0.692 nan 8.190 nan 0.000 0.458 47 E N 0.144 120.297 120.200 -0.077 0.000 2.153 47 E HA -0.225 4.127 4.350 0.002 0.000 0.194 47 E C 2.431 179.033 176.600 0.004 0.000 0.988 47 E CA 1.110 57.497 56.400 -0.021 0.000 0.811 47 E CB 0.041 29.784 29.700 0.072 0.000 0.746 47 E HN 0.458 nan 8.360 nan 0.000 0.466 48 R N -0.454 120.050 120.500 0.007 0.000 2.073 48 R HA 0.013 4.354 4.340 0.002 0.000 0.229 48 R C 2.205 178.501 176.300 -0.007 0.000 1.120 48 R CA 1.117 57.222 56.100 0.008 0.000 0.967 48 R CB -0.113 30.194 30.300 0.013 0.000 0.862 48 R HN 0.097 nan 8.270 nan 0.000 0.436 49 A N 0.638 123.442 122.820 -0.026 0.000 2.121 49 A HA -0.019 4.302 4.320 0.002 0.000 0.218 49 A C 2.181 179.746 177.584 -0.031 0.000 1.154 49 A CA 1.299 53.316 52.037 -0.033 0.000 0.679 49 A CB -0.488 18.481 19.000 -0.053 0.000 0.795 49 A HN 0.418 nan 8.150 nan 0.000 0.458 50 A N 0.985 123.786 122.820 -0.032 0.000 1.859 50 A HA -0.122 4.200 4.320 0.002 0.000 0.217 50 A C 0.206 177.788 177.584 -0.003 0.000 1.198 50 A CA 2.080 54.103 52.037 -0.023 0.000 0.629 50 A CB -1.701 17.287 19.000 -0.020 0.000 0.830 50 A HN 0.469 nan 8.150 nan 0.000 0.446 51 P HA 0.108 nan 4.420 nan 0.000 0.225 51 P C 1.506 178.811 177.300 0.009 0.000 1.156 51 P CA 1.736 64.844 63.100 0.014 0.000 0.787 51 P CB -0.117 31.595 31.700 0.019 0.000 0.802 52 E N 0.124 120.325 120.200 0.002 0.000 2.106 52 E HA -0.144 4.208 4.350 0.002 0.000 0.192 52 E C 1.823 178.421 176.600 -0.004 0.000 0.984 52 E CA 1.153 57.553 56.400 -0.001 0.000 0.806 52 E CB -1.527 28.170 29.700 -0.006 0.000 0.750 52 E HN 0.239 nan 8.360 nan 0.000 0.458 53 I N 0.479 121.044 120.570 -0.009 0.000 2.277 53 I HA -0.160 4.011 4.170 0.002 0.000 0.243 53 I C 2.731 178.848 176.117 0.001 0.000 1.094 53 I CA 1.171 62.465 61.300 -0.011 0.000 1.393 53 I CB -0.003 37.982 38.000 -0.025 0.000 1.078 53 I HN 0.185 nan 8.210 nan 0.000 0.417 54 S N 0.620 116.325 115.700 0.009 0.000 2.383 54 S HA -0.266 4.205 4.470 0.002 0.000 0.229 54 S C 2.500 177.114 174.600 0.023 0.000 1.030 54 S CA 1.897 60.111 58.200 0.023 0.000 1.002 54 S CB -0.651 62.569 63.200 0.034 0.000 0.829 54 S HN 0.554 nan 8.310 nan 0.000 0.467 55 R N 1.225 121.736 120.500 0.017 0.000 2.061 55 R HA 0.234 4.576 4.340 0.002 0.000 0.230 55 R C 2.494 178.802 176.300 0.013 0.000 1.140 55 R CA 1.783 57.893 56.100 0.017 0.000 0.940 55 R CB -1.616 28.692 30.300 0.013 0.000 0.839 55 R HN 0.483 nan 8.270 nan 0.000 0.429 56 A N 0.600 123.424 122.820 0.007 0.000 2.070 56 A HA -0.089 4.233 4.320 0.002 0.000 0.220 56 A C 2.326 179.911 177.584 0.002 0.000 1.159 56 A CA 2.311 54.350 52.037 0.003 0.000 0.656 56 A CB -0.484 18.514 19.000 -0.002 0.000 0.800 56 A HN 0.766 nan 8.150 nan 0.000 0.453 57 T N -6.477 108.080 114.554 0.005 0.000 2.975 57 T HA 0.433 4.784 4.350 0.002 0.000 0.257 57 T C 1.409 176.116 174.700 0.012 0.000 1.003 57 T CA 1.030 63.132 62.100 0.003 0.000 0.932 57 T CB 0.365 69.233 68.868 -0.001 0.000 1.087 57 T HN 1.639 nan 8.240 nan 0.000 0.512 58 G N 1.430 110.243 108.800 0.021 0.000 2.184 58 G HA2 -0.235 3.726 3.960 0.002 0.000 0.264 58 G HA3 -0.235 3.726 3.960 0.002 0.000 0.264 58 G C 0.121 175.049 174.900 0.047 0.000 0.975 58 G CA 0.347 45.468 45.100 0.035 0.000 0.642 58 G HN 0.777 nan 8.290 nan 0.000 0.536 59 T N 3.400 117.977 114.554 0.037 0.000 2.758 59 T HA 0.574 4.925 4.350 0.002 0.000 0.285 59 T C -2.241 172.495 174.700 0.060 0.000 0.981 59 T CA -1.009 61.117 62.100 0.044 0.000 0.965 59 T CB 2.618 71.496 68.868 0.015 0.000 0.927 59 T HN 0.170 nan 8.240 nan 0.000 0.448 60 P HA 0.279 nan 4.420 nan 0.000 0.268 60 P C -0.932 176.425 177.300 0.094 0.000 1.205 60 P CA -0.310 62.856 63.100 0.110 0.000 0.771 60 P CB 0.665 32.467 31.700 0.170 0.000 0.858 61 V N 2.826 122.781 119.914 0.068 0.000 2.588 61 V HA 0.419 4.540 4.120 0.002 0.000 0.304 61 V C -0.095 176.014 176.094 0.026 0.000 1.042 61 V CA -0.313 62.010 62.300 0.038 0.000 0.877 61 V CB 1.971 33.798 31.823 0.007 0.000 0.996 61 V HN 0.578 nan 8.190 nan 0.000 0.425 62 S N 2.899 118.598 115.700 -0.001 0.000 2.548 62 S HA 0.824 5.295 4.470 0.002 0.000 0.286 62 S C -0.678 173.871 174.600 -0.085 0.000 1.098 62 S CA -0.789 57.392 58.200 -0.031 0.000 0.930 62 S CB 2.209 65.389 63.200 -0.034 0.000 1.070 62 S HN 0.468 nan 8.310 nan 0.000 0.480 63 V N 2.292 122.142 119.914 -0.107 0.000 2.581 63 V HA 0.727 4.848 4.120 0.002 0.000 0.303 63 V C -0.160 175.884 176.094 -0.084 0.000 1.041 63 V CA -0.808 61.373 62.300 -0.198 0.000 0.907 63 V CB 1.398 32.912 31.823 -0.514 0.000 0.994 63 V HN 0.767 nan 8.190 nan 0.000 0.442 64 R N 2.643 123.140 120.500 -0.004 0.000 2.739 64 R HA 0.614 4.955 4.340 0.002 0.000 0.271 64 R C -1.484 174.965 176.300 0.248 0.000 1.010 64 R CA -0.846 55.343 56.100 0.148 0.000 0.897 64 R CB 2.319 32.656 30.300 0.061 0.000 1.236 64 R HN 0.577 nan 8.270 nan 0.000 0.466 65 L N 2.291 123.664 121.223 0.249 0.000 2.350 65 L HA 0.293 4.634 4.340 0.002 0.000 0.275 65 L C 1.067 177.970 176.870 0.056 0.000 1.099 65 L CA -0.522 54.402 54.840 0.140 0.000 0.808 65 L CB 1.082 43.166 42.059 0.041 0.000 1.149 65 L HN 0.508 nan 8.230 nan 0.000 0.442 66 Q N 2.158 121.956 119.800 -0.002 0.000 2.395 66 Q HA 0.172 4.513 4.340 0.002 0.000 0.271 66 Q C -0.889 175.107 176.000 -0.007 0.000 1.026 66 Q CA -0.024 55.781 55.803 0.002 0.000 0.900 66 Q CB 1.074 29.799 28.738 -0.021 0.000 1.266 66 Q HN 0.512 nan 8.270 nan 0.000 0.430 67 E N 1.322 121.539 120.200 0.029 0.000 2.249 67 E HA 0.267 4.618 4.350 0.002 0.000 0.263 67 E C -0.946 175.665 176.600 0.018 0.000 0.950 67 E CA -1.195 55.219 56.400 0.023 0.000 0.827 67 E CB 1.491 31.226 29.700 0.057 0.000 1.220 67 E HN 0.507 nan 8.360 nan 0.000 0.411 68 R N 2.076 122.580 120.500 0.006 0.000 2.612 68 R HA 0.108 4.449 4.340 0.002 0.000 0.273 68 R C 0.305 176.615 176.300 0.018 0.000 1.376 68 R CA 0.286 56.386 56.100 0.000 0.000 1.171 68 R CB -0.616 29.676 30.300 -0.014 0.000 1.151 68 R HN 0.504 nan 8.270 nan 0.000 0.560 69 L N 1.533 122.775 121.223 0.031 0.000 2.513 69 L HA 0.360 4.702 4.340 0.002 0.000 0.222 69 L C 1.230 178.106 176.870 0.010 0.000 1.096 69 L CA 0.345 55.208 54.840 0.039 0.000 0.857 69 L CB 0.299 42.410 42.059 0.086 0.000 1.026 69 L HN 0.683 nan 8.230 nan 0.000 0.469 70 G N -0.829 107.972 108.800 0.002 0.000 3.209 70 G HA2 0.413 4.374 3.960 0.002 0.000 0.236 70 G HA3 0.413 4.374 3.960 0.002 0.000 0.236 70 G C 0.213 175.105 174.900 -0.013 0.000 1.329 70 G CA 0.550 45.644 45.100 -0.009 0.000 1.015 70 G HN 0.009 nan 8.290 nan 0.000 0.571 71 T N -2.183 112.362 114.554 -0.016 0.000 3.209 71 T HA 0.434 4.785 4.350 0.002 0.000 0.295 71 T C 0.177 174.869 174.700 -0.014 0.000 0.977 71 T CA -0.148 61.944 62.100 -0.014 0.000 0.922 71 T CB 0.073 68.932 68.868 -0.014 0.000 1.152 71 T HN 0.167 nan 8.240 nan 0.000 0.527 72 L N 1.316 122.529 121.223 -0.017 0.000 2.687 72 L HA 0.591 4.932 4.340 0.002 0.000 0.252 72 L C 0.802 177.662 176.870 -0.016 0.000 1.115 72 L CA -1.538 53.293 54.840 -0.014 0.000 0.893 72 L CB 0.556 42.605 42.059 -0.015 0.000 1.670 72 L HN 0.198 nan 8.230 nan 0.000 0.531 73 R N 1.000 121.492 120.500 -0.013 0.000 2.619 73 R HA 0.009 4.350 4.340 0.002 0.000 0.268 73 R C -2.232 174.049 176.300 -0.032 0.000 0.990 73 R CA -0.816 55.274 56.100 -0.017 0.000 1.092 73 R CB 0.128 30.417 30.300 -0.017 0.000 0.935 73 R HN 0.241 nan 8.270 nan 0.000 0.415 74 P HA 0.209 nan 4.420 nan 0.000 0.284 74 P C -0.760 176.553 177.300 0.021 0.000 1.343 74 P CA -0.098 63.002 63.100 -0.001 0.000 0.826 74 P CB 1.522 33.227 31.700 0.008 0.000 0.956 75 G N 2.420 111.173 108.800 -0.080 0.000 3.085 75 G HA2 0.180 4.141 3.960 0.002 0.000 0.264 75 G HA3 0.180 4.141 3.960 0.002 0.000 0.264 75 G C 0.531 175.284 174.900 -0.245 0.000 1.206 75 G CA -0.455 44.509 45.100 -0.227 0.000 0.809 75 G HN 0.226 nan 8.290 nan 0.000 0.592 76 K N -0.352 119.773 120.400 -0.459 0.000 2.160 76 K HA -0.096 4.225 4.320 0.002 0.000 0.206 76 K C 2.308 178.791 176.600 -0.194 0.000 1.047 76 K CA 1.895 57.984 56.287 -0.330 0.000 0.930 76 K CB -0.747 31.491 32.500 -0.436 0.000 0.720 76 K HN 0.442 nan 8.250 nan 0.000 0.450 77 G N 1.078 109.761 108.800 -0.196 0.000 2.440 77 G HA2 -0.262 3.699 3.960 0.002 0.000 0.218 77 G HA3 -0.262 3.699 3.960 0.002 0.000 0.218 77 G C 1.104 175.972 174.900 -0.054 0.000 1.154 77 G CA 1.050 46.065 45.100 -0.142 0.000 0.767 77 G HN 0.323 nan 8.290 nan 0.000 0.552 78 D N 0.552 120.928 120.400 -0.040 0.000 2.144 78 D HA -0.041 4.600 4.640 0.002 0.000 0.200 78 D C 2.655 178.980 176.300 0.043 0.000 0.978 78 D CA 1.154 55.161 54.000 0.011 0.000 0.833 78 D CB -0.712 40.086 40.800 -0.005 0.000 0.961 78 D HN 0.284 nan 8.370 nan 0.000 0.470 79 G N 0.787 109.597 108.800 0.017 0.000 2.480 79 G HA2 -0.274 3.688 3.960 0.002 0.000 0.216 79 G HA3 -0.274 3.688 3.960 0.002 0.000 0.216 79 G C 1.683 176.666 174.900 0.138 0.000 1.200 79 G CA 0.826 45.960 45.100 0.056 0.000 0.782 79 G HN 0.202 nan 8.290 nan 0.000 0.554 80 M N 0.392 120.055 119.600 0.104 0.000 2.086 80 M HA -0.054 4.427 4.480 0.002 0.000 0.261 80 M C 2.446 178.933 176.300 0.311 0.000 1.067 80 M CA 1.135 56.535 55.300 0.167 0.000 1.116 80 M CB -0.447 32.064 32.600 -0.148 0.000 1.348 80 M HN 0.122 nan 8.290 nan 0.000 0.407 81 N N -0.015 118.836 118.700 0.251 0.000 2.223 81 N HA -0.099 4.642 4.740 0.002 0.000 0.185 81 N C 1.644 177.358 175.510 0.341 0.000 1.016 81 N CA 1.588 54.841 53.050 0.338 0.000 0.863 81 N CB -0.562 38.081 38.487 0.259 0.000 0.983 81 N HN 0.328 nan 8.380 nan 0.000 0.429 82 T N 0.904 115.610 114.554 0.253 0.000 2.746 82 T HA -0.047 4.304 4.350 0.002 0.000 0.267 82 T C 1.974 176.819 174.700 0.241 0.000 1.039 82 T CA 1.309 63.543 62.100 0.223 0.000 1.142 82 T CB -0.309 68.653 68.868 0.157 0.000 0.866 82 T HN 0.324 nan 8.240 nan 0.000 0.444 83 A N 1.324 124.308 122.820 0.274 0.000 1.908 83 A HA -0.049 4.272 4.320 0.002 0.000 0.218 83 A C 2.194 179.972 177.584 0.323 0.000 1.181 83 A CA 1.217 53.423 52.037 0.281 0.000 0.627 83 A CB -0.847 18.340 19.000 0.311 0.000 0.818 83 A HN 0.338 nan 8.150 nan 0.000 0.445 84 L N -0.300 121.136 121.223 0.356 0.000 2.042 84 L HA -0.164 4.177 4.340 0.002 0.000 0.210 84 L C 2.551 179.426 176.870 0.008 0.000 1.076 84 L CA 2.234 57.244 54.840 0.284 0.000 0.749 84 L CB -0.892 41.369 42.059 0.338 0.000 0.893 84 L HN 0.517 nan 8.230 nan 0.000 0.432 85 R N -1.812 118.602 120.500 -0.144 0.000 2.080 85 R HA -0.263 4.078 4.340 0.002 0.000 0.236 85 R C 2.459 178.709 176.300 -0.084 0.000 1.137 85 R CA 1.914 57.787 56.100 -0.377 0.000 0.943 85 R CB -0.641 29.594 30.300 -0.108 0.000 0.846 85 R HN 0.352 nan 8.270 nan 0.000 0.431 86 Y N 0.397 120.694 120.300 -0.006 0.000 2.151 86 Y HA -0.313 4.238 4.550 0.002 0.000 0.284 86 Y C 1.947 177.891 175.900 0.073 0.000 1.166 86 Y CA 2.101 60.228 58.100 0.044 0.000 1.163 86 Y CB -0.543 37.976 38.460 0.098 0.000 0.974 86 Y HN 0.189 nan 8.280 nan 0.000 0.511 87 F N 0.311 120.356 119.950 0.158 0.000 2.075 87 F HA -0.223 4.305 4.527 0.002 0.000 0.297 87 F C 1.781 177.539 175.800 -0.069 0.000 1.113 87 F CA 1.926 59.985 58.000 0.098 0.000 1.218 87 F CB -0.724 38.346 39.000 0.116 0.000 0.984 87 F HN 0.047 nan 8.300 nan 0.000 0.472 88 L N -0.612 120.446 121.223 -0.275 0.000 2.313 88 L HA -0.042 4.299 4.340 0.002 0.000 0.214 88 L C 2.051 178.717 176.870 -0.341 0.000 1.119 88 L CA 1.104 55.697 54.840 -0.410 0.000 0.809 88 L CB -0.431 41.457 42.059 -0.285 0.000 0.933 88 L HN 0.188 nan 8.230 nan 0.000 0.449 89 E N -0.424 119.593 120.200 -0.306 0.000 2.256 89 E HA -0.014 4.338 4.350 0.002 0.000 0.198 89 E C 1.170 177.588 176.600 -0.304 0.000 0.908 89 E CA 0.157 56.403 56.400 -0.257 0.000 0.915 89 E CB 0.428 30.016 29.700 -0.187 0.000 0.890 89 E HN 0.406 nan 8.360 nan 0.000 0.484 90 E N 0.780 120.720 120.200 -0.434 0.000 2.463 90 E HA 0.035 4.386 4.350 0.002 0.000 0.193 90 E C 0.051 176.319 176.600 -0.553 0.000 1.041 90 E CA 0.175 56.261 56.400 -0.524 0.000 0.879 90 E CB 0.882 30.134 29.700 -0.746 0.000 0.997 90 E HN 0.085 nan 8.360 nan 0.000 0.478 91 T N -3.016 111.222 114.554 -0.526 0.000 2.816 91 T HA 0.219 4.570 4.350 0.002 0.000 0.299 91 T C 0.007 174.325 174.700 -0.637 0.000 1.230 91 T CA -0.833 60.887 62.100 -0.634 0.000 1.007 91 T CB 1.925 70.424 68.868 -0.614 0.000 1.289 91 T HN -0.252 nan 8.240 nan 0.000 0.508 92 Q N -0.074 119.250 119.800 -0.792 0.000 2.159 92 Q HA 0.174 4.515 4.340 0.002 0.000 0.217 92 Q C -0.626 175.185 176.000 -0.316 0.000 0.818 92 Q CA -0.257 55.229 55.803 -0.528 0.000 1.008 92 Q CB 0.377 28.852 28.738 -0.437 0.000 1.148 92 Q HN 0.724 nan 8.270 nan 0.000 0.491 93 W N 1.529 122.791 121.300 -0.062 0.000 2.231 93 W HA 0.009 4.670 4.660 0.001 0.000 0.341 93 W C 1.525 178.160 176.519 0.193 0.000 1.298 93 W CA -0.595 56.836 57.345 0.144 0.000 1.266 93 W CB 0.816 30.510 29.460 0.389 0.000 1.172 93 W HN 0.027 nan 8.180 nan 0.000 0.568 94 E N 1.521 122.020 120.200 0.498 0.000 2.208 94 E HA -0.044 4.307 4.350 0.002 0.000 0.193 94 E C 0.361 177.222 176.600 0.434 0.000 0.988 94 E CA 1.107 57.717 56.400 0.349 0.000 0.828 94 E CB 0.166 30.021 29.700 0.258 0.000 0.763 94 E HN 0.464 nan 8.360 nan 0.000 0.478 95 R N -0.389 120.409 120.500 0.497 0.000 2.668 95 R HA 0.533 4.874 4.340 0.002 0.000 0.272 95 R C -0.833 175.463 176.300 -0.007 0.000 1.019 95 R CA -0.469 55.771 56.100 0.234 0.000 0.894 95 R CB 2.393 32.759 30.300 0.109 0.000 1.228 95 R HN -0.057 nan 8.270 nan 0.000 0.460 96 I N 2.008 122.345 120.570 -0.388 0.000 2.533 96 I HA 0.413 4.585 4.170 0.002 0.000 0.290 96 I C -0.809 175.065 176.117 -0.405 0.000 1.056 96 I CA -0.633 60.299 61.300 -0.614 0.000 1.057 96 I CB 1.463 38.629 38.000 -1.391 0.000 1.240 96 I HN 0.685 nan 8.210 nan 0.000 0.423 97 H N 6.588 125.410 119.070 -0.412 0.000 2.479 97 H HA 0.411 4.968 4.556 0.002 0.000 0.335 97 H C -1.445 173.474 175.328 -0.682 0.000 1.142 97 H CA -0.464 55.353 56.048 -0.385 0.000 1.234 97 H CB 1.851 31.481 29.762 -0.221 0.000 1.503 97 H HN 0.376 nan 8.280 nan 0.000 0.510 98 F N 1.313 121.059 119.950 -0.340 0.000 2.495 98 F HA 0.343 4.872 4.527 0.002 0.000 0.327 98 F C -0.728 174.654 175.800 -0.697 0.000 1.103 98 F CA -0.634 57.148 58.000 -0.363 0.000 0.949 98 F CB 1.264 40.191 39.000 -0.122 0.000 1.142 98 F HN 0.404 nan 8.300 nan 0.000 0.457 99 Y N 0.359 120.656 120.300 -0.005 0.000 2.492 99 Y HA 0.317 4.869 4.550 0.002 0.000 0.346 99 Y C -0.480 175.508 175.900 0.145 0.000 0.997 99 Y CA -1.544 56.584 58.100 0.048 0.000 1.025 99 Y CB 1.188 39.552 38.460 -0.161 0.000 1.263 99 Y HN 0.433 nan 8.280 nan 0.000 0.454 100 D N 0.988 121.600 120.400 0.354 0.000 2.443 100 D HA 0.180 4.821 4.640 0.002 0.000 0.239 100 D C 0.842 177.316 176.300 0.290 0.000 1.136 100 D CA 0.428 54.605 54.000 0.295 0.000 0.879 100 D CB 1.523 42.462 40.800 0.231 0.000 1.195 100 D HN 0.778 nan 8.370 nan 0.000 0.443 101 A N 2.560 125.538 122.820 0.264 0.000 2.015 101 A HA -0.157 4.164 4.320 0.002 0.000 0.219 101 A C 1.294 178.874 177.584 -0.007 0.000 1.163 101 A CA 1.174 53.289 52.037 0.130 0.000 0.646 101 A CB -0.099 19.006 19.000 0.175 0.000 0.806 101 A HN 0.596 nan 8.150 nan 0.000 0.448 102 D N -0.704 119.723 120.400 0.045 0.000 2.342 102 D HA 0.135 4.776 4.640 0.002 0.000 0.221 102 D C 0.294 176.595 176.300 0.003 0.000 1.101 102 D CA -0.367 53.642 54.000 0.016 0.000 0.837 102 D CB -0.593 40.230 40.800 0.039 0.000 0.938 102 D HN 0.408 nan 8.370 nan 0.000 0.508 103 I N 1.447 122.008 120.570 -0.015 0.000 2.648 103 I HA -0.027 4.144 4.170 0.002 0.000 0.284 103 I C 1.546 177.641 176.117 -0.036 0.000 1.153 103 I CA 0.531 61.816 61.300 -0.025 0.000 1.426 103 I CB 1.166 39.124 38.000 -0.070 0.000 1.381 103 I HN 0.039 nan 8.210 nan 0.000 0.571 104 T N -1.538 113.020 114.554 0.007 0.000 3.003 104 T HA 0.061 4.412 4.350 0.002 0.000 0.261 104 T C 0.911 175.640 174.700 0.048 0.000 1.003 104 T CA 0.254 62.368 62.100 0.023 0.000 0.917 104 T CB 0.059 68.934 68.868 0.012 0.000 1.084 104 T HN 0.599 nan 8.240 nan 0.000 0.522 105 S N 0.327 116.065 115.700 0.063 0.000 2.568 105 S HA 0.390 4.861 4.470 0.002 0.000 0.232 105 S C -0.001 174.578 174.600 -0.034 0.000 0.975 105 S CA -0.815 57.461 58.200 0.126 0.000 0.949 105 S CB -0.707 62.672 63.200 0.297 0.000 0.829 105 S HN 0.370 nan 8.310 nan 0.000 0.479 106 F N 3.097 122.705 119.950 -0.570 0.000 2.553 106 F HA 0.512 5.040 4.527 0.002 0.000 0.356 106 F C 0.824 176.210 175.800 -0.689 0.000 1.142 106 F CA 0.570 57.861 58.000 -1.182 0.000 1.322 106 F CB 0.219 38.698 39.000 -0.869 0.000 1.126 106 F HN 0.320 nan 8.300 nan 0.000 0.599 107 G N 4.706 112.732 108.800 -1.290 0.000 2.623 107 G HA2 0.380 4.341 3.960 0.002 0.000 0.290 107 G HA3 0.380 4.341 3.960 0.002 0.000 0.290 107 G C -2.687 171.806 174.900 -0.677 0.000 1.437 107 G CA -0.877 43.828 45.100 -0.658 0.000 0.798 107 G HN 0.294 nan 8.290 nan 0.000 0.488 108 P HA -0.037 nan 4.420 nan 0.000 0.219 108 P C 0.682 177.993 177.300 0.019 0.000 1.146 108 P CA 1.053 64.089 63.100 -0.106 0.000 0.808 108 P CB 0.290 32.010 31.700 0.032 0.000 0.779 109 D N -1.317 119.130 120.400 0.078 0.000 2.269 109 D HA -0.127 4.515 4.640 0.002 0.000 0.208 109 D C 1.755 178.197 176.300 0.236 0.000 0.963 109 D CA 0.714 54.812 54.000 0.164 0.000 0.864 109 D CB -0.698 40.187 40.800 0.141 0.000 0.936 109 D HN 0.221 nan 8.370 nan 0.000 0.505 110 W N 1.395 122.619 121.300 -0.127 0.000 2.338 110 W HA -0.032 4.630 4.660 0.002 0.000 0.304 110 W C 2.345 178.960 176.519 0.160 0.000 1.212 110 W CA 0.211 57.556 57.345 0.001 0.000 1.264 110 W CB -0.933 28.366 29.460 -0.269 0.000 1.142 110 W HN -0.018 nan 8.180 nan 0.000 0.512 111 I N -0.725 119.926 120.570 0.134 0.000 2.233 111 I HA -0.250 3.921 4.170 0.002 0.000 0.243 111 I C 2.214 178.392 176.117 0.102 0.000 1.093 111 I CA 1.605 62.919 61.300 0.023 0.000 1.380 111 I CB -1.074 36.550 38.000 -0.627 0.000 1.067 111 I HN -0.107 nan 8.210 nan 0.000 0.413 112 T N 0.853 115.489 114.554 0.137 0.000 2.708 112 T HA -0.186 4.165 4.350 0.002 0.000 0.266 112 T C 1.918 176.728 174.700 0.183 0.000 1.037 112 T CA 1.380 63.618 62.100 0.230 0.000 1.146 112 T CB -0.179 68.846 68.868 0.262 0.000 0.865 112 T HN 0.271 nan 8.240 nan 0.000 0.435 113 K N 1.073 121.581 120.400 0.181 0.000 2.057 113 K HA 0.010 4.332 4.320 0.002 0.000 0.207 113 K C 2.658 179.331 176.600 0.121 0.000 1.049 113 K CA 1.255 57.622 56.287 0.134 0.000 0.931 113 K CB -0.303 32.262 32.500 0.108 0.000 0.714 113 K HN 0.285 nan 8.250 nan 0.000 0.440 114 A N 1.575 124.503 122.820 0.179 0.000 1.873 114 A HA -0.178 4.143 4.320 0.002 0.000 0.215 114 A C 1.946 179.590 177.584 0.100 0.000 1.186 114 A CA 1.374 53.475 52.037 0.108 0.000 0.616 114 A CB -0.303 18.814 19.000 0.195 0.000 0.823 114 A HN 0.175 nan 8.150 nan 0.000 0.442 115 E N 0.097 120.395 120.200 0.164 0.000 2.085 115 E HA -0.213 4.138 4.350 0.002 0.000 0.194 115 E C 1.874 178.543 176.600 0.115 0.000 0.994 115 E CA 1.505 57.985 56.400 0.134 0.000 0.801 115 E CB -0.316 29.486 29.700 0.170 0.000 0.743 115 E HN 0.776 nan 8.360 nan 0.000 0.453 116 E N 0.335 120.602 120.200 0.111 0.000 2.152 116 E HA -0.063 4.288 4.350 0.002 0.000 0.192 116 E C 1.998 178.651 176.600 0.088 0.000 0.983 116 E CA 0.705 57.162 56.400 0.096 0.000 0.818 116 E CB -0.004 29.744 29.700 0.079 0.000 0.758 116 E HN 0.179 nan 8.360 nan 0.000 0.467 117 A N 1.385 124.234 122.820 0.049 0.000 1.930 117 A HA -0.067 4.254 4.320 0.002 0.000 0.217 117 A C 2.347 180.073 177.584 0.237 0.000 1.175 117 A CA 1.467 53.526 52.037 0.038 0.000 0.627 117 A CB -0.466 18.480 19.000 -0.090 0.000 0.815 117 A HN 0.285 nan 8.150 nan 0.000 0.443 118 A N 0.350 123.268 122.820 0.163 0.000 1.877 118 A HA -0.192 4.129 4.320 0.002 0.000 0.216 118 A C 1.746 179.410 177.584 0.134 0.000 1.186 118 A CA 1.861 53.991 52.037 0.154 0.000 0.620 118 A CB -0.674 18.378 19.000 0.088 0.000 0.822 118 A HN 0.437 nan 8.150 nan 0.000 0.443 119 D N -0.996 119.479 120.400 0.125 0.000 2.172 119 D HA -0.187 4.454 4.640 0.002 0.000 0.196 119 D C 1.498 177.854 176.300 0.093 0.000 0.999 119 D CA 1.373 55.433 54.000 0.100 0.000 0.856 119 D CB -0.455 40.407 40.800 0.104 0.000 0.934 119 D HN 0.509 nan 8.370 nan 0.000 0.453 120 F N -0.296 119.642 119.950 -0.020 0.000 2.502 120 F HA 0.098 4.626 4.527 0.002 0.000 0.298 120 F C 1.655 177.354 175.800 -0.169 0.000 1.111 120 F CA 1.466 59.421 58.000 -0.074 0.000 1.445 120 F CB 0.471 39.436 39.000 -0.059 0.000 1.081 120 F HN 0.093 nan 8.300 nan 0.000 0.558 121 G N -1.889 106.873 108.800 -0.064 0.000 2.370 121 G HA2 -0.197 3.764 3.960 0.002 0.000 0.174 121 G HA3 -0.197 3.764 3.960 0.002 0.000 0.174 121 G C -0.278 174.513 174.900 -0.182 0.000 1.002 121 G CA -0.416 44.564 45.100 -0.200 0.000 0.730 121 G HN 0.193 nan 8.290 nan 0.000 0.497 122 Y N 0.935 121.287 120.300 0.087 0.000 2.346 122 Y HA 0.452 5.003 4.550 0.002 0.000 0.330 122 Y C 1.810 177.742 175.900 0.054 0.000 1.178 122 Y CA 1.103 59.255 58.100 0.086 0.000 1.331 122 Y CB 1.488 40.020 38.460 0.120 0.000 1.253 122 Y HN 0.040 nan 8.280 nan 0.000 0.529 123 G N 2.561 111.482 108.800 0.201 0.000 2.494 123 G HA2 0.031 3.992 3.960 0.002 0.000 0.216 123 G HA3 0.031 3.992 3.960 0.002 0.000 0.216 123 G C -0.044 174.916 174.900 0.101 0.000 1.140 123 G CA 0.200 45.370 45.100 0.115 0.000 0.801 123 G HN 0.455 nan 8.290 nan 0.000 0.536 124 L N 1.151 122.450 121.223 0.127 0.000 2.436 124 L HA 0.595 4.936 4.340 0.002 0.000 0.268 124 L C -1.606 175.300 176.870 0.061 0.000 0.974 124 L CA -0.541 54.337 54.840 0.063 0.000 0.826 124 L CB 2.405 44.483 42.059 0.032 0.000 1.291 124 L HN -0.166 nan 8.230 nan 0.000 0.406 125 V N 5.372 125.293 119.914 0.012 0.000 2.407 125 V HA 0.519 4.640 4.120 0.002 0.000 0.291 125 V C -0.143 175.903 176.094 -0.080 0.000 1.018 125 V CA -0.655 61.624 62.300 -0.034 0.000 0.842 125 V CB 1.882 33.677 31.823 -0.046 0.000 0.996 125 V HN 0.715 nan 8.190 nan 0.000 0.426 126 R N 3.605 124.051 120.500 -0.089 0.000 2.346 126 R HA 0.535 4.876 4.340 0.002 0.000 0.311 126 R C -0.572 175.678 176.300 -0.084 0.000 0.983 126 R CA -0.698 55.384 56.100 -0.030 0.000 0.880 126 R CB 1.261 31.562 30.300 0.002 0.000 1.100 126 R HN 0.706 nan 8.270 nan 0.000 0.453 127 H N 3.475 122.556 119.070 0.017 0.000 2.620 127 H HA 0.112 4.670 4.556 0.002 0.000 0.313 127 H C -0.589 174.573 175.328 -0.276 0.000 1.075 127 H CA -0.167 55.776 56.048 -0.174 0.000 1.397 127 H CB 0.958 30.613 29.762 -0.179 0.000 1.446 127 H HN 0.580 nan 8.280 nan 0.000 0.493 128 Y N 1.686 121.672 120.300 -0.523 0.000 2.570 128 Y HA 0.645 5.196 4.550 0.002 0.000 0.345 128 Y C -1.867 173.571 175.900 -0.770 0.000 1.014 128 Y CA -1.758 56.074 58.100 -0.447 0.000 1.063 128 Y CB 1.097 39.513 38.460 -0.074 0.000 1.272 128 Y HN 0.263 nan 8.280 nan 0.000 0.477 129 F N 1.280 121.185 119.950 -0.075 0.000 2.613 129 F HA 0.671 5.199 4.527 0.002 0.000 0.314 129 F C -2.485 173.316 175.800 0.002 0.000 1.075 129 F CA -2.509 55.347 58.000 -0.241 0.000 0.945 129 F CB 2.041 40.994 39.000 -0.078 0.000 1.310 129 F HN 0.336 nan 8.300 nan 0.000 0.467 130 P HA 0.285 nan 4.420 nan 0.000 0.271 130 P C -1.080 176.398 177.300 0.296 0.000 1.216 130 P CA -0.225 63.054 63.100 0.298 0.000 0.776 130 P CB 0.927 32.746 31.700 0.199 0.000 0.881 131 R N 1.083 121.805 120.500 0.369 0.000 2.744 131 R HA 0.671 5.012 4.340 0.002 0.000 0.279 131 R C -0.367 176.173 176.300 0.400 0.000 0.977 131 R CA -1.046 55.257 56.100 0.337 0.000 0.906 131 R CB 2.392 32.901 30.300 0.348 0.000 1.197 131 R HN 0.515 nan 8.270 nan 0.000 0.463 132 A N 0.784 123.793 122.820 0.315 0.000 2.445 132 A HA 0.103 4.424 4.320 0.002 0.000 0.242 132 A C 1.265 179.014 177.584 0.274 0.000 1.075 132 A CA 0.127 52.367 52.037 0.338 0.000 0.777 132 A CB 0.399 19.532 19.000 0.222 0.000 1.013 132 A HN 0.926 nan 8.150 nan 0.000 0.493 133 S N 0.462 116.295 115.700 0.221 0.000 2.465 133 S HA -0.160 4.311 4.470 0.002 0.000 0.241 133 S C 1.126 175.843 174.600 0.194 0.000 1.000 133 S CA 1.773 60.016 58.200 0.072 0.000 0.964 133 S CB -0.732 62.467 63.200 -0.002 0.000 0.763 133 S HN 1.338 nan 8.310 nan 0.000 0.512 134 T N -2.179 112.497 114.554 0.203 0.000 3.129 134 T HA 0.322 4.674 4.350 0.002 0.000 0.267 134 T C -0.245 174.602 174.700 0.245 0.000 1.018 134 T CA -0.655 61.599 62.100 0.256 0.000 0.903 134 T CB 0.041 69.057 68.868 0.246 0.000 1.067 134 T HN 0.098 nan 8.240 nan 0.000 0.549 135 D N 1.481 122.020 120.400 0.231 0.000 2.388 135 D HA 0.587 5.228 4.640 0.002 0.000 0.254 135 D C 0.954 177.392 176.300 0.230 0.000 1.111 135 D CA 0.339 54.484 54.000 0.242 0.000 0.993 135 D CB 1.191 42.145 40.800 0.257 0.000 1.118 135 D HN 0.306 nan 8.370 nan 0.000 0.502 136 A N 0.631 123.580 122.820 0.216 0.000 2.872 136 A HA -0.212 4.109 4.320 0.002 0.000 0.273 136 A C 1.441 179.185 177.584 0.266 0.000 1.442 136 A CA 0.737 52.908 52.037 0.223 0.000 0.801 136 A CB -1.699 17.479 19.000 0.297 0.000 1.031 136 A HN 0.432 nan 8.150 nan 0.000 0.582 137 M N -1.207 118.515 119.600 0.204 0.000 2.394 137 M HA 0.009 4.490 4.480 0.002 0.000 0.264 137 M C 2.004 178.553 176.300 0.415 0.000 1.073 137 M CA 1.622 57.046 55.300 0.208 0.000 1.111 137 M CB -0.883 31.706 32.600 -0.019 0.000 1.401 137 M HN 0.716 nan 8.290 nan 0.000 0.448 138 I N -0.371 120.372 120.570 0.289 0.000 2.162 138 I HA -0.248 3.923 4.170 0.002 0.000 0.238 138 I C 2.283 178.415 176.117 0.026 0.000 1.076 138 I CA 1.260 62.590 61.300 0.050 0.000 1.353 138 I CB -0.882 36.993 38.000 -0.208 0.000 1.063 138 I HN 0.214 nan 8.210 nan 0.000 0.408 139 T N 0.111 114.647 114.554 -0.029 0.000 2.620 139 T HA -0.275 4.076 4.350 0.002 0.000 0.267 139 T C 1.425 176.000 174.700 -0.207 0.000 1.044 139 T CA 2.261 64.263 62.100 -0.162 0.000 1.161 139 T CB -0.521 68.200 68.868 -0.244 0.000 0.862 139 T HN 0.395 nan 8.240 nan 0.000 0.438 140 W N 0.303 121.584 121.300 -0.032 0.000 2.441 140 W HA 0.166 4.827 4.660 0.002 0.000 0.302 140 W C 2.392 178.924 176.519 0.023 0.000 1.191 140 W CA 0.234 57.537 57.345 -0.069 0.000 1.327 140 W CB -0.172 29.180 29.460 -0.181 0.000 1.128 140 W HN 0.119 nan 8.180 nan 0.000 0.522 141 M N -0.829 118.964 119.600 0.322 0.000 2.509 141 M HA 0.059 4.540 4.480 0.002 0.000 0.250 141 M C 1.300 177.989 176.300 0.648 0.000 1.132 141 M CA 0.914 56.458 55.300 0.407 0.000 1.080 141 M CB -0.613 32.057 32.600 0.117 0.000 1.408 141 M HN 0.018 nan 8.290 nan 0.000 0.484 142 I N -0.824 119.986 120.570 0.399 0.000 3.523 142 I HA 0.014 4.186 4.170 0.002 0.000 0.244 142 I C 2.066 178.268 176.117 0.143 0.000 1.110 142 I CA 1.059 62.593 61.300 0.391 0.000 1.517 142 I CB -1.308 36.781 38.000 0.149 0.000 1.505 142 I HN 0.123 nan 8.210 nan 0.000 0.460 143 T N 1.921 116.426 114.554 -0.082 0.000 2.639 143 T HA -0.092 4.259 4.350 0.002 0.000 0.261 143 T C 2.000 176.427 174.700 -0.455 0.000 1.053 143 T CA 1.267 63.142 62.100 -0.375 0.000 1.158 143 T CB -0.300 68.351 68.868 -0.362 0.000 0.863 143 T HN 0.202 nan 8.240 nan 0.000 0.413 144 R N 0.692 121.042 120.500 -0.249 0.000 2.092 144 R HA -0.024 4.317 4.340 0.002 0.000 0.231 144 R C 2.744 179.025 176.300 -0.031 0.000 1.119 144 R CA 1.408 57.431 56.100 -0.128 0.000 0.970 144 R CB -0.768 29.366 30.300 -0.276 0.000 0.864 144 R HN 0.328 nan 8.270 nan 0.000 0.440 145 T N 0.146 114.691 114.554 -0.014 0.000 2.746 145 T HA -0.099 4.253 4.350 0.002 0.000 0.267 145 T C 1.904 176.389 174.700 -0.358 0.000 1.039 145 T CA 1.550 63.623 62.100 -0.046 0.000 1.142 145 T CB -0.408 68.492 68.868 0.054 0.000 0.866 145 T HN 0.532 nan 8.240 nan 0.000 0.444 146 G N 0.776 109.321 108.800 -0.426 0.000 2.421 146 G HA2 -0.136 3.825 3.960 0.002 0.000 0.216 146 G HA3 -0.136 3.825 3.960 0.002 0.000 0.216 146 G C 1.240 176.146 174.900 0.010 0.000 1.171 146 G CA 0.329 45.200 45.100 -0.382 0.000 0.775 146 G HN 0.375 nan 8.290 nan 0.000 0.543 147 F N 1.978 121.993 119.950 0.109 0.000 2.154 147 F HA -0.049 4.479 4.527 0.002 0.000 0.301 147 F C 2.995 178.902 175.800 0.179 0.000 1.087 147 F CA 0.406 58.579 58.000 0.288 0.000 1.274 147 F CB -0.969 38.145 39.000 0.191 0.000 1.009 147 F HN 0.275 nan 8.300 nan 0.000 0.485 148 A N -0.199 122.749 122.820 0.213 0.000 1.897 148 A HA -0.062 4.259 4.320 0.002 0.000 0.215 148 A C 2.316 179.919 177.584 0.031 0.000 1.181 148 A CA 1.118 53.225 52.037 0.116 0.000 0.620 148 A CB -0.943 18.120 19.000 0.105 0.000 0.821 148 A HN 0.366 nan 8.150 nan 0.000 0.443 149 L N -0.995 120.160 121.223 -0.113 0.000 2.179 149 L HA -0.031 4.311 4.340 0.002 0.000 0.208 149 L C 2.277 179.038 176.870 -0.182 0.000 1.096 149 L CA 0.684 55.408 54.840 -0.193 0.000 0.779 149 L CB -0.247 41.548 42.059 -0.440 0.000 0.922 149 L HN 0.349 nan 8.230 nan 0.000 0.443 150 L N -2.342 118.725 121.223 -0.261 0.000 2.316 150 L HA 0.016 4.357 4.340 0.002 0.000 0.207 150 L C 0.595 177.019 176.870 -0.742 0.000 1.070 150 L CA 0.275 54.720 54.840 -0.659 0.000 0.820 150 L CB 0.129 41.428 42.059 -1.267 0.000 0.992 150 L HN 0.306 nan 8.230 nan 0.000 0.466 151 W N 0.656 122.029 121.300 0.123 0.000 1.506 151 W HA 0.295 4.957 4.660 0.002 0.000 0.296 151 W C -1.924 174.654 176.519 0.098 0.000 0.847 151 W CA -1.317 56.102 57.345 0.123 0.000 2.203 151 W CB -0.004 29.532 29.460 0.128 0.000 2.219 151 W HN -0.027 nan 8.180 nan 0.000 0.464 152 P HA -0.199 nan 4.420 nan 0.000 0.219 152 P C 1.013 178.333 177.300 0.033 0.000 1.146 152 P CA 1.702 64.833 63.100 0.052 0.000 0.808 152 P CB 0.233 31.865 31.700 -0.113 0.000 0.779 153 H N -0.786 118.411 119.070 0.212 0.000 2.539 153 H HA 0.123 4.680 4.556 0.002 0.000 0.269 153 H C 1.036 176.465 175.328 0.167 0.000 0.980 153 H CA 0.712 56.867 56.048 0.178 0.000 1.152 153 H CB 0.034 29.871 29.762 0.125 0.000 1.407 153 H HN 0.245 nan 8.280 nan 0.000 0.564 154 T N -1.903 112.818 114.554 0.279 0.000 2.897 154 T HA 0.159 4.510 4.350 0.002 0.000 0.278 154 T C 1.168 175.987 174.700 0.199 0.000 0.981 154 T CA -0.729 61.470 62.100 0.166 0.000 0.973 154 T CB 2.347 71.262 68.868 0.077 0.000 1.092 154 T HN -0.072 nan 8.240 nan 0.000 0.543 155 E N -0.292 119.953 120.200 0.075 0.000 2.482 155 E HA 0.115 4.467 4.350 0.002 0.000 0.196 155 E C 1.730 178.387 176.600 0.095 0.000 1.047 155 E CA 0.400 56.868 56.400 0.115 0.000 0.869 155 E CB -0.754 28.930 29.700 -0.027 0.000 0.836 155 E HN 0.680 nan 8.360 nan 0.000 0.520 156 L N 0.129 121.297 121.223 -0.092 0.000 2.013 156 L HA -0.237 4.104 4.340 0.002 0.000 0.212 156 L C 2.300 179.105 176.870 -0.109 0.000 1.073 156 L CA 1.766 56.370 54.840 -0.393 0.000 0.753 156 L CB -0.604 40.962 42.059 -0.822 0.000 0.890 156 L HN 0.230 nan 8.230 nan 0.000 0.432 157 S N -2.175 113.602 115.700 0.128 0.000 2.607 157 S HA -0.106 4.365 4.470 0.002 0.000 0.224 157 S C 1.205 175.776 174.600 -0.048 0.000 0.969 157 S CA -0.114 58.171 58.200 0.142 0.000 0.927 157 S CB -0.538 62.718 63.200 0.094 0.000 0.772 157 S HN 0.472 nan 8.310 nan 0.000 0.533 158 W N 1.283 122.619 121.300 0.059 0.000 3.077 158 W HA 0.465 5.127 4.660 0.002 0.000 0.266 158 W C 0.315 176.886 176.519 0.087 0.000 1.300 158 W CA -0.901 56.510 57.345 0.110 0.000 1.586 158 W CB 0.027 29.591 29.460 0.174 0.000 1.103 158 W HN 0.143 nan 8.180 nan 0.000 0.652 159 I N 2.279 122.917 120.570 0.113 0.000 2.683 159 I HA -0.089 4.082 4.170 0.002 0.000 0.286 159 I C 1.489 177.581 176.117 -0.041 0.000 1.175 159 I CA 0.361 61.641 61.300 -0.033 0.000 1.429 159 I CB 0.685 38.616 38.000 -0.115 0.000 1.371 159 I HN 0.089 nan 8.210 nan 0.000 0.569 160 E N 4.486 124.625 120.200 -0.101 0.000 2.047 160 E HA -0.126 4.225 4.350 0.002 0.000 0.191 160 E C 0.361 176.878 176.600 -0.138 0.000 0.987 160 E CA 1.325 57.629 56.400 -0.160 0.000 0.799 160 E CB 0.174 29.640 29.700 -0.390 0.000 0.752 160 E HN 0.586 nan 8.360 nan 0.000 0.449 161 Q N 0.157 119.925 119.800 -0.054 0.000 3.122 161 Q HA 0.142 4.483 4.340 0.002 0.000 0.282 161 Q C -2.017 174.003 176.000 0.034 0.000 0.947 161 Q CA -1.224 54.587 55.803 0.014 0.000 0.812 161 Q CB 1.699 30.538 28.738 0.168 0.000 1.333 161 Q HN 0.022 nan 8.270 nan 0.000 0.430 162 P HA -0.112 nan 4.420 nan 0.000 0.226 162 P C 0.588 177.934 177.300 0.076 0.000 1.153 162 P CA 0.811 63.961 63.100 0.085 0.000 0.777 162 P CB 0.415 32.237 31.700 0.203 0.000 0.794 163 L N -1.067 120.176 121.223 0.034 0.000 2.592 163 L HA 0.241 4.582 4.340 0.002 0.000 0.227 163 L C 1.366 178.287 176.870 0.085 0.000 1.127 163 L CA -0.321 54.540 54.840 0.035 0.000 0.884 163 L CB -0.633 41.416 42.059 -0.017 0.000 1.065 163 L HN -0.078 nan 8.230 nan 0.000 0.457 164 G N -0.310 108.567 108.800 0.128 0.000 2.406 164 G HA2 0.323 4.285 3.960 0.002 0.000 0.251 164 G HA3 0.323 4.285 3.960 0.002 0.000 0.251 164 G C 0.813 175.830 174.900 0.194 0.000 1.271 164 G CA 0.008 45.231 45.100 0.205 0.000 0.859 164 G HN 0.249 nan 8.290 nan 0.000 0.540 165 G N 0.893 109.826 108.800 0.222 0.000 3.337 165 G HA2 0.295 4.256 3.960 0.002 0.000 0.246 165 G HA3 0.295 4.256 3.960 0.002 0.000 0.246 165 G C 0.169 175.205 174.900 0.228 0.000 1.131 165 G CA -0.194 45.017 45.100 0.185 0.000 0.773 165 G HN 0.513 nan 8.290 nan 0.000 0.544 166 E N 0.460 120.846 120.200 0.311 0.000 2.109 166 E HA 0.602 4.953 4.350 0.002 0.000 0.278 166 E C -0.422 176.388 176.600 0.349 0.000 0.954 166 E CA -0.422 56.152 56.400 0.290 0.000 0.779 166 E CB 1.741 31.750 29.700 0.515 0.000 1.093 166 E HN 0.274 nan 8.360 nan 0.000 0.401 167 L N 0.337 121.674 121.223 0.189 0.000 2.940 167 L HA 0.618 4.959 4.340 0.002 0.000 0.270 167 L C -1.686 175.212 176.870 0.046 0.000 1.030 167 L CA -1.047 53.908 54.840 0.192 0.000 0.928 167 L CB 0.913 43.063 42.059 0.152 0.000 1.506 167 L HN 0.450 nan 8.230 nan 0.000 0.405 168 L N 1.096 122.301 121.223 -0.029 0.000 2.385 168 L HA 0.862 5.204 4.340 0.002 0.000 0.273 168 L C -1.385 175.428 176.870 -0.096 0.000 0.990 168 L CA -0.534 54.192 54.840 -0.189 0.000 0.821 168 L CB 1.946 43.782 42.059 -0.372 0.000 1.279 168 L HN 0.849 nan 8.230 nan 0.000 0.412 169 M N 3.478 123.016 119.600 -0.104 0.000 2.535 169 M HA 0.570 5.051 4.480 0.002 0.000 0.314 169 M C -0.500 175.797 176.300 -0.005 0.000 1.153 169 M CA -0.665 54.613 55.300 -0.037 0.000 0.924 169 M CB 2.196 34.782 32.600 -0.024 0.000 1.710 169 M HN 0.492 nan 8.290 nan 0.000 0.451 170 R N 0.531 121.063 120.500 0.053 0.000 2.641 170 R HA 0.192 4.533 4.340 0.002 0.000 0.269 170 R C 1.253 177.666 176.300 0.187 0.000 1.074 170 R CA -0.052 56.115 56.100 0.111 0.000 1.133 170 R CB 0.587 30.942 30.300 0.091 0.000 1.029 170 R HN 0.646 nan 8.270 nan 0.000 0.488 171 R N 2.276 122.945 120.500 0.282 0.000 2.162 171 R HA -0.328 4.014 4.340 0.002 0.000 0.245 171 R C 1.546 177.955 176.300 0.180 0.000 1.129 171 R CA 2.664 58.950 56.100 0.310 0.000 0.940 171 R CB -0.217 30.167 30.300 0.140 0.000 0.875 171 R HN 0.856 nan 8.270 nan 0.000 0.437 172 E N -0.449 119.816 120.200 0.108 0.000 2.118 172 E HA -0.167 4.184 4.350 0.002 0.000 0.195 172 E C 1.910 178.555 176.600 0.074 0.000 0.992 172 E CA 1.626 58.068 56.400 0.070 0.000 0.804 172 E CB -0.341 29.386 29.700 0.045 0.000 0.741 172 E HN 0.275 nan 8.360 nan 0.000 0.458 173 V N 1.718 121.679 119.914 0.078 0.000 2.307 173 V HA -0.250 3.872 4.120 0.002 0.000 0.245 173 V C 2.629 178.754 176.094 0.052 0.000 1.045 173 V CA 1.828 64.156 62.300 0.047 0.000 1.024 173 V CB -0.753 31.087 31.823 0.028 0.000 0.651 173 V HN 0.508 nan 8.190 nan 0.000 0.449 174 A N 0.081 122.969 122.820 0.114 0.000 1.883 174 A HA -0.166 4.156 4.320 0.002 0.000 0.217 174 A C 2.443 180.135 177.584 0.180 0.000 1.186 174 A CA 2.291 54.422 52.037 0.157 0.000 0.624 174 A CB -0.891 18.319 19.000 0.349 0.000 0.822 174 A HN 0.574 nan 8.150 nan 0.000 0.444 175 A N -0.711 122.207 122.820 0.164 0.000 1.865 175 A HA -0.205 4.116 4.320 0.002 0.000 0.217 175 A C 2.259 179.930 177.584 0.146 0.000 1.191 175 A CA 2.168 54.294 52.037 0.148 0.000 0.623 175 A CB -0.619 18.430 19.000 0.082 0.000 0.826 175 A HN 0.534 nan 8.150 nan 0.000 0.444 176 M N -0.343 119.313 119.600 0.093 0.000 2.106 176 M HA -0.157 4.324 4.480 0.002 0.000 0.259 176 M C 2.000 178.345 176.300 0.075 0.000 1.068 176 M CA 1.847 57.187 55.300 0.067 0.000 1.100 176 M CB -0.711 31.911 32.600 0.037 0.000 1.351 176 M HN 0.452 nan 8.290 nan 0.000 0.404 177 L N -1.522 119.746 121.223 0.074 0.000 2.109 177 L HA -0.207 4.135 4.340 0.002 0.000 0.207 177 L C 2.461 179.423 176.870 0.153 0.000 1.086 177 L CA 0.947 55.831 54.840 0.072 0.000 0.760 177 L CB -0.945 41.073 42.059 -0.068 0.000 0.910 177 L HN 0.264 nan 8.230 nan 0.000 0.437 178 Y N 0.954 121.295 120.300 0.068 0.000 2.403 178 Y HA -0.233 4.318 4.550 0.002 0.000 0.291 178 Y C 2.297 178.242 175.900 0.074 0.000 1.143 178 Y CA 1.422 59.579 58.100 0.095 0.000 1.257 178 Y CB 0.085 38.609 38.460 0.107 0.000 0.984 178 Y HN 0.129 nan 8.280 nan 0.000 0.550 179 E N 0.162 120.391 120.200 0.049 0.000 2.442 179 E HA -0.035 4.317 4.350 0.002 0.000 0.195 179 E C -0.093 176.483 176.600 -0.040 0.000 1.030 179 E CA 0.149 56.533 56.400 -0.027 0.000 0.869 179 E CB -0.021 29.709 29.700 0.051 0.000 0.857 179 E HN 0.288 nan 8.360 nan 0.000 0.505 180 D N 0.313 120.710 120.400 -0.006 0.000 2.277 180 D HA 0.007 4.648 4.640 0.002 0.000 0.249 180 D C 0.268 176.563 176.300 -0.010 0.000 1.134 180 D CA 0.099 54.106 54.000 0.011 0.000 0.863 180 D CB 1.025 41.855 40.800 0.050 0.000 1.143 180 D HN 0.088 nan 8.370 nan 0.000 0.458 181 E N 2.441 122.633 120.200 -0.015 0.000 2.150 181 E HA -0.185 4.166 4.350 0.002 0.000 0.193 181 E C 1.682 178.277 176.600 -0.010 0.000 0.985 181 E CA 0.979 57.364 56.400 -0.025 0.000 0.814 181 E CB 0.314 30.002 29.700 -0.021 0.000 0.752 181 E HN 0.406 nan 8.360 nan 0.000 0.466 182 R N 0.185 120.691 120.500 0.009 0.000 2.115 182 R HA -0.071 4.270 4.340 0.002 0.000 0.230 182 R C 2.267 178.578 176.300 0.018 0.000 1.111 182 R CA 0.713 56.818 56.100 0.007 0.000 0.976 182 R CB -0.565 29.739 30.300 0.005 0.000 0.870 182 R HN 0.012 nan 8.270 nan 0.000 0.445 183 V N 0.785 120.729 119.914 0.050 0.000 2.307 183 V HA -0.179 3.942 4.120 0.002 0.000 0.245 183 V C 2.326 178.453 176.094 0.056 0.000 1.045 183 V CA 1.800 64.154 62.300 0.089 0.000 1.024 183 V CB -0.429 31.501 31.823 0.178 0.000 0.651 183 V HN 0.141 nan 8.190 nan 0.000 0.449 184 R N 0.402 120.911 120.500 0.014 0.000 2.096 184 R HA -0.129 4.212 4.340 0.002 0.000 0.235 184 R C 2.415 178.707 176.300 -0.014 0.000 1.127 184 R CA 1.522 57.610 56.100 -0.020 0.000 0.968 184 R CB -0.542 29.694 30.300 -0.106 0.000 0.861 184 R HN 0.416 nan 8.270 nan 0.000 0.440 185 R N -0.201 120.289 120.500 -0.017 0.000 2.152 185 R HA -0.036 4.305 4.340 0.002 0.000 0.232 185 R C 0.226 176.513 176.300 -0.021 0.000 1.117 185 R CA 0.913 57.002 56.100 -0.019 0.000 0.981 185 R CB 0.037 30.325 30.300 -0.019 0.000 0.870 185 R HN -0.091 nan 8.270 nan 0.000 0.451 186 R N 0.798 121.284 120.500 -0.023 0.000 3.266 186 R HA 0.035 4.376 4.340 0.002 0.000 0.224 186 R C 0.689 176.955 176.300 -0.057 0.000 1.525 186 R CA 0.077 56.153 56.100 -0.040 0.000 1.364 186 R CB 0.377 30.647 30.300 -0.050 0.000 1.276 186 R HN 0.230 nan 8.270 nan 0.000 0.660 187 S N -0.443 115.227 115.700 -0.049 0.000 2.558 187 S HA -0.028 4.443 4.470 0.002 0.000 0.217 187 S C 0.639 175.177 174.600 -0.102 0.000 0.975 187 S CA 0.008 58.172 58.200 -0.059 0.000 0.912 187 S CB -0.163 63.014 63.200 -0.038 0.000 0.776 187 S HN 0.559 nan 8.310 nan 0.000 0.526 188 D N 0.189 120.529 120.400 -0.100 0.000 2.466 188 D HA 0.169 4.810 4.640 0.002 0.000 0.271 188 D C 0.614 176.824 176.300 -0.150 0.000 1.193 188 D CA -1.007 52.906 54.000 -0.144 0.000 1.103 188 D CB -0.672 40.095 40.800 -0.055 0.000 1.184 188 D HN 0.272 nan 8.370 nan 0.000 0.593 189 W N -0.401 120.862 121.300 -0.061 0.000 2.611 189 W HA 0.215 4.876 4.660 0.002 0.000 0.251 189 W C 2.167 178.625 176.519 -0.100 0.000 1.265 189 W CA 0.326 57.625 57.345 -0.078 0.000 1.295 189 W CB 0.075 29.494 29.460 -0.069 0.000 1.129 189 W HN 0.534 nan 8.180 nan 0.000 0.630 190 G N 0.145 109.005 108.800 0.101 0.000 2.848 190 G HA2 -0.200 3.761 3.960 0.002 0.000 0.208 190 G HA3 -0.200 3.761 3.960 0.002 0.000 0.208 190 G C 1.273 176.139 174.900 -0.057 0.000 1.152 190 G CA 0.292 45.402 45.100 0.017 0.000 0.789 190 G HN 0.184 nan 8.290 nan 0.000 0.531 191 I N 1.393 121.894 120.570 -0.115 0.000 2.194 191 I HA -0.178 3.993 4.170 0.002 0.000 0.246 191 I C 1.962 177.817 176.117 -0.437 0.000 1.093 191 I CA 1.503 62.617 61.300 -0.309 0.000 1.355 191 I CB -0.088 37.671 38.000 -0.401 0.000 1.046 191 I HN 0.136 nan 8.210 nan 0.000 0.413 192 D N -0.637 119.613 120.400 -0.250 0.000 2.144 192 D HA -0.141 4.500 4.640 0.002 0.000 0.200 192 D C 2.052 178.344 176.300 -0.014 0.000 0.978 192 D CA 1.867 55.771 54.000 -0.160 0.000 0.833 192 D CB -0.339 40.446 40.800 -0.026 0.000 0.961 192 D HN 0.365 nan 8.370 nan 0.000 0.470 193 T N 2.005 116.565 114.554 0.010 0.000 2.720 193 T HA -0.119 4.232 4.350 0.002 0.000 0.268 193 T C 2.013 176.813 174.700 0.167 0.000 1.037 193 T CA 0.494 62.654 62.100 0.100 0.000 1.144 193 T CB -0.072 68.809 68.868 0.022 0.000 0.864 193 T HN 0.071 nan 8.240 nan 0.000 0.444 194 L N -0.179 121.085 121.223 0.069 0.000 2.056 194 L HA -0.031 4.310 4.340 0.002 0.000 0.207 194 L C 2.472 179.494 176.870 0.253 0.000 1.078 194 L CA 1.768 56.685 54.840 0.128 0.000 0.749 194 L CB -1.191 40.897 42.059 0.049 0.000 0.901 194 L HN 0.287 nan 8.230 nan 0.000 0.433 195 Y N 0.766 121.100 120.300 0.056 0.000 2.114 195 Y HA -0.241 4.310 4.550 0.002 0.000 0.282 195 Y C 2.885 178.801 175.900 0.026 0.000 1.165 195 Y CA 1.383 59.500 58.100 0.029 0.000 1.148 195 Y CB -1.602 36.851 38.460 -0.011 0.000 0.972 195 Y HN 0.221 nan 8.280 nan 0.000 0.504 196 T N 0.459 115.147 114.554 0.224 0.000 2.674 196 T HA -0.220 4.131 4.350 0.002 0.000 0.265 196 T C 1.756 176.454 174.700 -0.004 0.000 1.039 196 T CA 1.511 63.676 62.100 0.107 0.000 1.150 196 T CB -0.870 68.102 68.868 0.174 0.000 0.864 196 T HN 0.285 nan 8.240 nan 0.000 0.427 197 F N 1.716 121.626 119.950 -0.067 0.000 2.095 197 F HA -0.166 4.362 4.527 0.002 0.000 0.298 197 F C 2.246 177.925 175.800 -0.201 0.000 1.104 197 F CA 1.146 59.003 58.000 -0.238 0.000 1.232 197 F CB -0.489 38.416 39.000 -0.159 0.000 0.987 197 F HN -0.084 nan 8.300 nan 0.000 0.475 198 V N 0.252 120.197 119.914 0.052 0.000 2.379 198 V HA -0.277 3.845 4.120 0.002 0.000 0.245 198 V C 2.559 178.576 176.094 -0.128 0.000 1.044 198 V CA 2.141 64.431 62.300 -0.016 0.000 1.036 198 V CB -1.414 30.485 31.823 0.127 0.000 0.664 198 V HN 0.609 nan 8.190 nan 0.000 0.453 199 T N -1.159 113.343 114.554 -0.087 0.000 2.665 199 T HA -0.220 4.131 4.350 0.002 0.000 0.268 199 T C 1.839 176.432 174.700 -0.178 0.000 1.035 199 T CA 1.895 63.933 62.100 -0.103 0.000 1.151 199 T CB -0.822 68.004 68.868 -0.070 0.000 0.862 199 T HN 0.234 nan 8.240 nan 0.000 0.438 200 V N 2.284 122.032 119.914 -0.277 0.000 2.295 200 V HA -0.055 4.066 4.120 0.002 0.000 0.246 200 V C 3.260 179.124 176.094 -0.384 0.000 1.049 200 V CA 1.636 63.731 62.300 -0.342 0.000 1.024 200 V CB -1.431 30.118 31.823 -0.457 0.000 0.648 200 V HN 0.707 nan 8.190 nan 0.000 0.447 201 A N -0.068 122.423 122.820 -0.549 0.000 1.933 201 A HA -0.043 4.278 4.320 0.002 0.000 0.218 201 A C 2.221 179.649 177.584 -0.259 0.000 1.175 201 A CA 1.763 53.490 52.037 -0.516 0.000 0.628 201 A CB -0.597 17.969 19.000 -0.723 0.000 0.814 201 A HN 0.595 nan 8.150 nan 0.000 0.444 202 A N -1.467 121.239 122.820 -0.191 0.000 2.235 202 A HA 0.402 4.723 4.320 0.002 0.000 0.208 202 A C 1.709 179.240 177.584 -0.088 0.000 1.172 202 A CA 1.117 53.091 52.037 -0.106 0.000 0.786 202 A CB -1.148 17.811 19.000 -0.068 0.000 0.804 202 A HN 1.897 nan 8.150 nan 0.000 0.479 203 G N -0.805 107.927 108.800 -0.113 0.000 2.198 203 G HA2 -0.200 3.762 3.960 0.002 0.000 0.260 203 G HA3 -0.200 3.762 3.960 0.002 0.000 0.260 203 G C 0.218 175.091 174.900 -0.044 0.000 1.025 203 G CA 0.210 45.264 45.100 -0.076 0.000 0.769 203 G HN 0.730 nan 8.290 nan 0.000 0.507 204 V N 0.773 120.660 119.914 -0.046 0.000 2.963 204 V HA 0.458 4.579 4.120 0.002 0.000 0.306 204 V C 1.286 177.399 176.094 0.032 0.000 1.077 204 V CA 0.486 62.782 62.300 -0.007 0.000 1.124 204 V CB 1.572 33.388 31.823 -0.012 0.000 0.987 204 V HN 1.131 nan 8.190 nan 0.000 0.487 205 S N 4.674 120.428 115.700 0.089 0.000 2.457 205 S HA 0.716 5.188 4.470 0.002 0.000 0.289 205 S C -0.838 173.963 174.600 0.336 0.000 1.163 205 S CA -0.634 57.680 58.200 0.190 0.000 1.078 205 S CB 0.615 63.902 63.200 0.145 0.000 0.987 205 S HN 0.465 nan 8.310 nan 0.000 0.482 206 I N 3.715 124.486 120.570 0.335 0.000 2.436 206 I HA 0.386 4.557 4.170 0.002 0.000 0.289 206 I C -1.149 175.012 176.117 0.073 0.000 1.010 206 I CA -0.824 60.587 61.300 0.186 0.000 1.098 206 I CB 1.557 39.586 38.000 0.049 0.000 1.266 206 I HN 0.740 nan 8.210 nan 0.000 0.434 207 Y N 5.660 125.701 120.300 -0.433 0.000 2.377 207 Y HA 0.438 4.989 4.550 0.002 0.000 0.339 207 Y C -0.517 175.206 175.900 -0.295 0.000 1.011 207 Y CA -0.686 57.002 58.100 -0.685 0.000 1.093 207 Y CB 1.568 39.188 38.460 -1.400 0.000 1.201 207 Y HN 0.480 nan 8.280 nan 0.000 0.455 208 E N 5.647 125.383 120.200 -0.773 0.000 2.114 208 E HA 0.346 4.697 4.350 0.002 0.000 0.266 208 E C -1.009 175.295 176.600 -0.494 0.000 0.896 208 E CA -0.788 55.343 56.400 -0.448 0.000 0.750 208 E CB 0.772 30.264 29.700 -0.347 0.000 1.121 208 E HN 0.675 nan 8.360 nan 0.000 0.413 209 C N 2.043 121.194 119.300 -0.249 0.000 2.401 209 C HA 0.459 4.920 4.460 0.002 0.000 0.365 209 C C 0.017 174.928 174.990 -0.132 0.000 1.250 209 C CA -1.071 57.875 59.018 -0.120 0.000 2.131 209 C CB -0.657 27.057 27.740 -0.043 0.000 2.445 209 C HN 0.718 nan 8.230 nan 0.000 0.550 210 Y N 3.841 123.931 120.300 -0.350 0.000 2.327 210 Y HA 0.610 5.162 4.550 0.002 0.000 0.336 210 Y C -0.047 175.480 175.900 -0.620 0.000 1.035 210 Y CA -1.177 56.491 58.100 -0.720 0.000 1.165 210 Y CB 0.488 38.559 38.460 -0.648 0.000 1.181 210 Y HN 0.653 nan 8.280 nan 0.000 0.494 211 I N 10.143 129.911 120.570 -1.337 0.000 2.371 211 I HA 0.206 4.377 4.170 0.002 0.000 0.282 211 I C -1.915 173.585 176.117 -1.029 0.000 1.031 211 I CA -2.368 58.300 61.300 -1.053 0.000 1.180 211 I CB 1.181 38.475 38.000 -1.177 0.000 1.336 211 I HN 0.556 nan 8.210 nan 0.000 0.467 212 P HA -0.134 nan 4.420 nan 0.000 0.216 212 P C 1.103 178.307 177.300 -0.159 0.000 1.150 212 P CA 1.313 64.140 63.100 -0.456 0.000 0.837 212 P CB 0.438 32.018 31.700 -0.201 0.000 0.786 213 E N -0.545 119.627 120.200 -0.048 0.000 2.267 213 E HA 0.079 4.430 4.350 0.002 0.000 0.197 213 E C 1.327 178.017 176.600 0.150 0.000 0.998 213 E CA 0.965 57.440 56.400 0.125 0.000 0.830 213 E CB -0.829 29.016 29.700 0.242 0.000 0.751 213 E HN 0.232 nan 8.360 nan 0.000 0.491 214 G N 0.663 109.538 108.800 0.125 0.000 2.741 214 G HA2 -0.323 3.638 3.960 0.002 0.000 0.222 214 G HA3 -0.323 3.638 3.960 0.002 0.000 0.222 214 G C -0.624 174.344 174.900 0.114 0.000 1.364 214 G CA -0.146 45.065 45.100 0.185 0.000 0.866 214 G HN 0.167 nan 8.290 nan 0.000 0.555 215 K N 0.189 120.486 120.400 -0.173 0.000 2.413 215 K HA 0.641 4.962 4.320 0.002 0.000 0.257 215 K C 0.948 177.494 176.600 -0.089 0.000 0.946 215 K CA 0.153 56.251 56.287 -0.316 0.000 0.823 215 K CB 1.167 33.073 32.500 -0.991 0.000 1.109 215 K HN 2.128 nan 8.250 nan 0.000 0.427 221 G N 1.017 109.976 108.800 0.265 0.000 3.287 221 G HA2 0.450 4.411 3.960 0.002 0.000 0.172 221 G HA3 0.450 4.411 3.960 0.002 0.000 0.172 221 G C 0.716 175.763 174.900 0.245 0.000 1.922 221 G CA 0.055 45.277 45.100 0.204 0.000 0.952 221 G HN 0.959 nan 8.290 nan 0.000 0.520 222 G N -1.065 107.858 108.800 0.205 0.000 2.716 222 G HA2 0.285 4.246 3.960 0.002 0.000 0.251 222 G HA3 0.285 4.246 3.960 0.002 0.000 0.251 222 G C 0.947 175.957 174.900 0.183 0.000 1.224 222 G CA -0.526 44.697 45.100 0.204 0.000 0.891 222 G HN 0.362 nan 8.290 nan 0.000 0.561 223 L N 0.311 121.614 121.223 0.134 0.000 2.362 223 L HA -0.051 4.290 4.340 0.002 0.000 0.219 223 L C 2.608 179.731 176.870 0.422 0.000 1.134 223 L CA 1.281 56.207 54.840 0.143 0.000 0.807 223 L CB -0.321 41.666 42.059 -0.120 0.000 0.927 223 L HN 0.804 nan 8.230 nan 0.000 0.447 224 D N -0.357 120.267 120.400 0.374 0.000 2.309 224 D HA -0.232 4.409 4.640 0.002 0.000 0.212 224 D C 0.912 177.178 176.300 -0.056 0.000 0.968 224 D CA 1.016 54.999 54.000 -0.029 0.000 0.882 224 D CB -0.203 40.472 40.800 -0.208 0.000 0.918 224 D HN 0.353 nan 8.370 nan 0.000 0.503 225 D N 0.967 121.400 120.400 0.055 0.000 2.263 225 D HA -0.071 4.571 4.640 0.002 0.000 0.208 225 D C 1.991 178.293 176.300 0.003 0.000 0.971 225 D CA 0.441 54.478 54.000 0.062 0.000 0.867 225 D CB -0.035 40.881 40.800 0.193 0.000 0.929 225 D HN 0.411 nan 8.370 nan 0.000 0.492 226 L N -0.029 121.181 121.223 -0.022 0.000 2.607 226 L HA 0.192 4.533 4.340 0.002 0.000 0.228 226 L C 2.282 179.063 176.870 -0.148 0.000 1.123 226 L CA -0.186 54.575 54.840 -0.133 0.000 0.890 226 L CB 0.122 42.072 42.059 -0.183 0.000 1.103 226 L HN -0.136 nan 8.230 nan 0.000 0.468 227 R N 0.187 120.628 120.500 -0.098 0.000 2.083 227 R HA -0.163 4.178 4.340 0.002 0.000 0.237 227 R C 2.108 178.350 176.300 -0.096 0.000 1.137 227 R CA 2.241 58.265 56.100 -0.126 0.000 0.951 227 R CB -0.133 29.959 30.300 -0.347 0.000 0.851 227 R HN 0.233 nan 8.270 nan 0.000 0.434 228 T N 0.796 115.315 114.554 -0.058 0.000 2.777 228 T HA -0.159 4.192 4.350 0.002 0.000 0.266 228 T C 1.686 176.410 174.700 0.040 0.000 1.040 228 T CA 1.435 63.559 62.100 0.040 0.000 1.141 228 T CB -0.144 68.806 68.868 0.137 0.000 0.868 228 T HN 0.275 nan 8.240 nan 0.000 0.444 229 M N 0.694 120.199 119.600 -0.159 0.000 2.108 229 M HA -0.083 4.398 4.480 0.002 0.000 0.261 229 M C 2.170 178.288 176.300 -0.302 0.000 1.066 229 M CA 1.502 56.541 55.300 -0.435 0.000 1.107 229 M CB -0.246 31.836 32.600 -0.864 0.000 1.356 229 M HN 0.244 nan 8.290 nan 0.000 0.406 230 L N 0.195 121.211 121.223 -0.344 0.000 2.017 230 L HA -0.126 4.215 4.340 0.002 0.000 0.208 230 L C 2.372 179.106 176.870 -0.226 0.000 1.073 230 L CA 2.075 56.655 54.840 -0.435 0.000 0.745 230 L CB -0.905 40.764 42.059 -0.649 0.000 0.894 230 L HN 0.376 nan 8.230 nan 0.000 0.432 231 V N -1.950 117.915 119.914 -0.082 0.000 2.427 231 V HA -0.193 3.929 4.120 0.002 0.000 0.248 231 V C 2.156 178.317 176.094 0.110 0.000 1.051 231 V CA 1.966 64.305 62.300 0.065 0.000 1.048 231 V CB -0.697 31.271 31.823 0.243 0.000 0.666 231 V HN 0.642 nan 8.190 nan 0.000 0.456 232 E N -0.398 119.852 120.200 0.084 0.000 2.107 232 E HA -0.118 4.233 4.350 0.002 0.000 0.191 232 E C 2.292 178.917 176.600 0.041 0.000 0.982 232 E CA 1.496 57.959 56.400 0.105 0.000 0.809 232 E CB -0.311 29.498 29.700 0.183 0.000 0.756 232 E HN 0.723 nan 8.360 nan 0.000 0.459 233 C N 0.571 119.863 119.300 -0.014 0.000 2.429 233 C HA -0.132 4.329 4.460 0.002 0.000 0.277 233 C C 2.418 177.352 174.990 -0.094 0.000 1.262 233 C CA 0.408 59.384 59.018 -0.070 0.000 1.733 233 C CB -0.904 26.758 27.740 -0.130 0.000 2.010 233 C HN 0.425 nan 8.230 nan 0.000 0.483 234 F N 2.133 121.941 119.950 -0.235 0.000 2.186 234 F HA 0.009 4.538 4.527 0.002 0.000 0.299 234 F C 2.315 177.976 175.800 -0.231 0.000 1.090 234 F CA 1.280 59.095 58.000 -0.307 0.000 1.307 234 F CB -0.427 38.261 39.000 -0.520 0.000 1.019 234 F HN 0.143 nan 8.300 nan 0.000 0.489 235 A N 0.559 123.327 122.820 -0.086 0.000 1.908 235 A HA -0.104 4.217 4.320 0.002 0.000 0.218 235 A C 2.447 179.930 177.584 -0.169 0.000 1.181 235 A CA 1.807 53.818 52.037 -0.043 0.000 0.627 235 A CB -1.574 17.507 19.000 0.135 0.000 0.818 235 A HN 0.500 nan 8.150 nan 0.000 0.445 236 A N 0.230 122.963 122.820 -0.145 0.000 1.873 236 A HA -0.144 4.178 4.320 0.002 0.000 0.218 236 A C 2.056 179.517 177.584 -0.205 0.000 1.193 236 A CA 1.788 53.740 52.037 -0.141 0.000 0.629 236 A CB -0.575 18.369 19.000 -0.094 0.000 0.826 236 A HN 0.427 nan 8.150 nan 0.000 0.447 237 I N -0.229 120.167 120.570 -0.289 0.000 2.179 237 I HA -0.273 3.899 4.170 0.002 0.000 0.242 237 I C 2.680 178.599 176.117 -0.330 0.000 1.088 237 I CA 1.997 63.134 61.300 -0.273 0.000 1.357 237 I CB -1.490 36.310 38.000 -0.334 0.000 1.051 237 I HN 0.576 nan 8.210 nan 0.000 0.409 238 Q N 0.876 120.335 119.800 -0.568 0.000 2.152 238 Q HA -0.237 4.104 4.340 0.002 0.000 0.206 238 Q C 2.315 178.161 176.000 -0.257 0.000 0.985 238 Q CA 2.681 58.207 55.803 -0.461 0.000 0.863 238 Q CB 0.042 28.506 28.738 -0.456 0.000 0.904 238 Q HN 0.617 nan 8.270 nan 0.000 0.422 239 S N -0.702 114.877 115.700 -0.202 0.000 2.453 239 S HA -0.051 4.420 4.470 0.002 0.000 0.231 239 S C 1.620 176.140 174.600 -0.134 0.000 1.005 239 S CA 0.591 58.712 58.200 -0.133 0.000 0.949 239 S CB -0.074 63.064 63.200 -0.105 0.000 0.774 239 S HN 0.435 nan 8.310 nan 0.000 0.510 240 L N 1.422 122.544 121.223 -0.168 0.000 2.607 240 L HA 0.189 4.530 4.340 0.002 0.000 0.228 240 L C 2.634 179.533 176.870 0.048 0.000 1.123 240 L CA 0.290 55.013 54.840 -0.194 0.000 0.890 240 L CB -0.302 41.451 42.059 -0.511 0.000 1.103 240 L HN 0.477 nan 8.230 nan 0.000 0.468 241 Q N -0.555 119.187 119.800 -0.097 0.000 2.364 241 Q HA -0.208 4.133 4.340 0.002 0.000 0.209 241 Q C 1.144 176.954 176.000 -0.317 0.000 0.977 241 Q CA 1.399 57.049 55.803 -0.255 0.000 0.885 241 Q CB -0.178 28.289 28.738 -0.452 0.000 0.941 241 Q HN 0.533 nan 8.270 nan 0.000 0.464 242 H N 0.184 119.302 119.070 0.079 0.000 2.586 242 H HA 0.248 4.806 4.556 0.002 0.000 0.273 242 H C 0.055 175.497 175.328 0.189 0.000 0.997 242 H CA -0.027 56.074 56.048 0.087 0.000 1.177 242 H CB 0.417 30.197 29.762 0.030 0.000 1.471 242 H HN 0.287 nan 8.280 nan 0.000 0.538 243 E N 1.225 121.636 120.200 0.351 0.000 2.409 243 E HA 0.155 4.506 4.350 0.002 0.000 0.257 243 E C -0.004 176.924 176.600 0.547 0.000 1.150 243 E CA -0.182 56.439 56.400 0.368 0.000 0.942 243 E CB 1.847 31.698 29.700 0.252 0.000 0.979 243 E HN -0.121 nan 8.360 nan 0.000 0.447 244 V N 1.422 121.569 119.914 0.387 0.000 2.680 244 V HA 0.258 4.379 4.120 0.002 0.000 0.309 244 V C -0.537 175.660 176.094 0.172 0.000 1.052 244 V CA -0.783 61.713 62.300 0.326 0.000 0.908 244 V CB 2.293 34.239 31.823 0.205 0.000 1.001 244 V HN 0.349 nan 8.190 nan 0.000 0.431 245 V N 4.004 123.979 119.914 0.102 0.000 2.357 245 V HA 0.523 4.645 4.120 0.002 0.000 0.284 245 V C 0.944 177.024 176.094 -0.024 0.000 1.018 245 V CA 0.307 62.547 62.300 -0.100 0.000 0.841 245 V CB 1.229 32.899 31.823 -0.255 0.000 0.991 245 V HN 0.996 nan 8.190 nan 0.000 0.437 246 G N 3.983 112.755 108.800 -0.048 0.000 3.044 246 G HA2 0.245 4.206 3.960 0.002 0.000 0.223 246 G HA3 0.245 4.206 3.960 0.002 0.000 0.223 246 G C 0.287 175.173 174.900 -0.024 0.000 1.123 246 G CA 0.143 45.235 45.100 -0.014 0.000 0.765 246 G HN 0.684 nan 8.290 nan 0.000 0.546 247 Q N -0.021 119.751 119.800 -0.048 0.000 2.534 247 Q HA 0.551 4.892 4.340 0.002 0.000 0.290 247 Q C -3.175 172.793 176.000 -0.054 0.000 0.991 247 Q CA -1.705 54.073 55.803 -0.042 0.000 0.783 247 Q CB 1.883 30.595 28.738 -0.044 0.000 1.470 247 Q HN 0.007 nan 8.270 nan 0.000 0.406 248 P HA 0.614 nan 4.420 nan 0.000 0.293 248 P C -1.354 175.919 177.300 -0.046 0.000 1.304 248 P CA -0.468 62.608 63.100 -0.040 0.000 0.767 248 P CB 0.951 32.637 31.700 -0.023 0.000 1.247 249 A N -0.010 122.788 122.820 -0.036 0.000 2.486 249 A HA 0.567 4.888 4.320 0.002 0.000 0.300 249 A C -0.361 177.245 177.584 0.036 0.000 1.048 249 A CA -0.824 51.203 52.037 -0.015 0.000 0.696 249 A CB 0.651 19.619 19.000 -0.053 0.000 1.278 249 A HN 0.442 nan 8.150 nan 0.000 0.405 250 I N 3.262 123.873 120.570 0.069 0.000 2.517 250 I HA 0.108 4.280 4.170 0.002 0.000 0.285 250 I C 0.361 176.619 176.117 0.235 0.000 1.106 250 I CA 0.684 62.060 61.300 0.126 0.000 1.402 250 I CB 0.181 38.258 38.000 0.129 0.000 1.399 250 I HN 0.712 nan 8.210 nan 0.000 0.535 251 H N 7.882 126.992 119.070 0.067 0.000 2.823 251 H HA 0.519 5.076 4.556 0.002 0.000 0.332 251 H C -1.124 174.219 175.328 0.026 0.000 0.980 251 H CA -0.933 55.139 56.048 0.039 0.000 1.286 251 H CB 0.922 30.665 29.762 -0.032 0.000 1.541 251 H HN 0.591 nan 8.280 nan 0.000 0.521 252 R N 3.640 124.056 120.500 -0.141 0.000 2.807 252 R HA 0.326 4.668 4.340 0.002 0.000 0.276 252 R C -1.044 174.981 176.300 -0.459 0.000 0.979 252 R CA -1.053 54.910 56.100 -0.227 0.000 0.928 252 R CB 2.819 33.208 30.300 0.149 0.000 1.191 252 R HN 0.644 nan 8.270 nan 0.000 0.471 253 Q N 0.936 120.486 119.800 -0.417 0.000 2.304 253 Q HA 0.220 4.562 4.340 0.002 0.000 0.270 253 Q C -1.074 174.770 176.000 -0.260 0.000 1.035 253 Q CA -0.723 54.804 55.803 -0.461 0.000 0.781 253 Q CB 2.907 31.441 28.738 -0.340 0.000 1.261 253 Q HN 0.465 nan 8.270 nan 0.000 0.444 254 E N 1.948 121.952 120.200 -0.326 0.000 2.608 254 E HA -0.143 4.208 4.350 0.002 0.000 0.259 254 E C -0.663 175.986 176.600 0.081 0.000 0.951 254 E CA 0.105 56.511 56.400 0.009 0.000 0.945 254 E CB 0.440 30.177 29.700 0.063 0.000 0.916 254 E HN 0.501 nan 8.360 nan 0.000 0.477 255 H N 5.830 124.904 119.070 0.007 0.000 3.004 255 H HA 0.080 4.637 4.556 0.002 0.000 0.316 255 H C -2.017 173.231 175.328 -0.133 0.000 1.014 255 H CA -1.180 54.849 56.048 -0.033 0.000 1.454 255 H CB 0.572 30.320 29.762 -0.025 0.000 1.472 255 H HN 0.294 nan 8.280 nan 0.000 0.571 256 P HA 0.085 nan 4.420 nan 0.000 0.275 256 P C -0.570 176.323 177.300 -0.677 0.000 1.227 256 P CA -0.262 62.175 63.100 -1.105 0.000 0.781 256 P CB 0.878 32.090 31.700 -0.813 0.000 0.906 257 H N 0.707 119.273 119.070 -0.839 0.000 2.730 257 H HA 0.193 4.750 4.556 0.002 0.000 0.376 257 H C 0.877 176.118 175.328 -0.145 0.000 1.299 257 H CA 0.032 55.954 56.048 -0.209 0.000 1.447 257 H CB 0.044 29.862 29.762 0.092 0.000 1.493 257 H HN 0.326 nan 8.280 nan 0.000 0.619 258 R N 0.339 120.899 120.500 0.101 0.000 2.623 258 R HA 0.091 4.432 4.340 0.002 0.000 0.271 258 R C -0.860 175.492 176.300 0.086 0.000 1.043 258 R CA -0.088 56.053 56.100 0.067 0.000 1.083 258 R CB 0.030 30.357 30.300 0.045 0.000 0.974 258 R HN 0.391 nan 8.270 nan 0.000 0.436 259 V N 7.923 127.843 119.914 0.009 0.000 2.585 259 V HA 0.128 4.249 4.120 0.002 0.000 0.296 259 V C -1.744 174.294 176.094 -0.094 0.000 1.035 259 V CA -1.043 61.221 62.300 -0.060 0.000 1.084 259 V CB 0.623 32.249 31.823 -0.328 0.000 0.953 259 V HN 0.855 nan 8.190 nan 0.000 0.483 260 P HA 0.091 nan 4.420 nan 0.000 0.268 260 P C 1.040 178.227 177.300 -0.188 0.000 1.204 260 P CA -0.022 63.014 63.100 -0.106 0.000 0.768 260 P CB 0.641 32.238 31.700 -0.170 0.000 0.842 261 V N 3.200 123.066 119.914 -0.081 0.000 2.278 261 V HA -0.317 3.805 4.120 0.002 0.000 0.251 261 V C 2.354 178.419 176.094 -0.048 0.000 1.062 261 V CA 2.490 64.757 62.300 -0.056 0.000 1.038 261 V CB -1.442 30.390 31.823 0.015 0.000 0.646 261 V HN 0.793 nan 8.190 nan 0.000 0.447 262 H N -1.221 117.846 119.070 -0.006 0.000 2.491 262 H HA -0.062 4.495 4.556 0.002 0.000 0.290 262 H C 2.143 177.480 175.328 0.015 0.000 1.050 262 H CA 1.915 57.967 56.048 0.006 0.000 1.309 262 H CB -0.266 29.504 29.762 0.014 0.000 1.392 262 H HN 0.451 nan 8.280 nan 0.000 0.554 263 I N 1.260 121.542 120.570 -0.480 0.000 2.400 263 I HA -0.067 4.104 4.170 0.002 0.000 0.248 263 I C 2.970 179.033 176.117 -0.090 0.000 1.109 263 I CA 0.842 62.002 61.300 -0.234 0.000 1.425 263 I CB -0.278 37.582 38.000 -0.233 0.000 1.094 263 I HN 0.288 nan 8.210 nan 0.000 0.425 264 A N 0.189 122.899 122.820 -0.183 0.000 1.986 264 A HA -0.215 4.107 4.320 0.002 0.000 0.220 264 A C 1.879 179.462 177.584 -0.000 0.000 1.171 264 A CA 1.669 53.598 52.037 -0.180 0.000 0.640 264 A CB -0.528 18.239 19.000 -0.389 0.000 0.811 264 A HN 0.490 nan 8.150 nan 0.000 0.451 265 E N -0.721 119.476 120.200 -0.006 0.000 2.437 265 E HA 0.079 4.430 4.350 0.002 0.000 0.195 265 E C 0.299 176.922 176.600 0.038 0.000 1.029 265 E CA -0.365 56.049 56.400 0.023 0.000 0.948 265 E CB 0.114 29.826 29.700 0.021 0.000 1.082 265 E HN 0.707 nan 8.360 nan 0.000 0.456 266 R N -0.375 120.156 120.500 0.053 0.000 2.598 266 R HA 0.496 4.838 4.340 0.002 0.000 0.279 266 R C -0.738 175.593 176.300 0.053 0.000 0.984 266 R CA -0.589 55.545 56.100 0.056 0.000 0.999 266 R CB 1.281 31.624 30.300 0.072 0.000 1.114 266 R HN -0.193 nan 8.270 nan 0.000 0.493 267 V N 3.015 122.946 119.914 0.028 0.000 2.384 267 V HA 0.285 4.406 4.120 0.002 0.000 0.287 267 V C 1.189 177.304 176.094 0.035 0.000 1.020 267 V CA -0.120 62.173 62.300 -0.012 0.000 0.850 267 V CB 1.469 33.238 31.823 -0.091 0.000 0.987 267 V HN 1.107 nan 8.190 nan 0.000 0.436 268 G N 4.310 113.170 108.800 0.100 0.000 2.470 268 G HA2 -0.063 3.899 3.960 0.002 0.000 0.220 268 G HA3 -0.063 3.899 3.960 0.002 0.000 0.220 268 G C 0.289 175.442 174.900 0.421 0.000 1.121 268 G CA 1.454 46.728 45.100 0.290 0.000 0.766 268 G HN 0.867 nan 8.290 nan 0.000 0.553 269 Y N -2.678 117.695 120.300 0.123 0.000 2.656 269 Y HA 0.566 5.117 4.550 0.002 0.000 0.334 269 Y C -1.771 174.162 175.900 0.055 0.000 1.179 269 Y CA -2.247 55.921 58.100 0.113 0.000 1.050 269 Y CB 0.707 39.198 38.460 0.052 0.000 1.308 269 Y HN -0.141 nan 8.280 nan 0.000 0.456 270 D N 1.558 122.068 120.400 0.184 0.000 2.352 270 D HA 0.212 4.854 4.640 0.002 0.000 0.245 270 D C 0.838 177.203 176.300 0.110 0.000 1.224 270 D CA 0.084 54.132 54.000 0.079 0.000 0.879 270 D CB 1.681 42.557 40.800 0.126 0.000 1.057 270 D HN 0.555 nan 8.370 nan 0.000 0.491 271 V N 4.319 124.182 119.914 -0.084 0.000 2.287 271 V HA -0.218 3.904 4.120 0.002 0.000 0.248 271 V C 2.370 178.501 176.094 0.062 0.000 1.053 271 V CA 1.858 64.142 62.300 -0.027 0.000 1.027 271 V CB -0.540 31.191 31.823 -0.152 0.000 0.646 271 V HN 0.655 nan 8.190 nan 0.000 0.447 272 E N 0.296 120.523 120.200 0.046 0.000 2.058 272 E HA -0.251 4.101 4.350 0.002 0.000 0.194 272 E C 2.240 178.921 176.600 0.135 0.000 0.997 272 E CA 1.512 57.955 56.400 0.072 0.000 0.801 272 E CB -0.232 29.496 29.700 0.046 0.000 0.746 272 E HN 0.562 nan 8.360 nan 0.000 0.450 273 A N 0.114 123.025 122.820 0.152 0.000 1.969 273 A HA -0.135 4.186 4.320 0.002 0.000 0.218 273 A C 2.336 180.037 177.584 0.195 0.000 1.169 273 A CA 1.849 54.005 52.037 0.199 0.000 0.635 273 A CB -0.742 18.362 19.000 0.174 0.000 0.810 273 A HN 0.312 nan 8.150 nan 0.000 0.445 274 T N 0.429 115.090 114.554 0.179 0.000 2.777 274 T HA -0.059 4.292 4.350 0.002 0.000 0.266 274 T C 1.782 176.546 174.700 0.106 0.000 1.040 274 T CA 1.437 63.615 62.100 0.129 0.000 1.141 274 T CB -0.340 68.598 68.868 0.116 0.000 0.868 274 T HN 0.378 nan 8.240 nan 0.000 0.444 275 L N -0.026 121.273 121.223 0.126 0.000 2.056 275 L HA -0.088 4.253 4.340 0.002 0.000 0.207 275 L C 2.553 179.555 176.870 0.219 0.000 1.078 275 L CA 1.447 56.375 54.840 0.146 0.000 0.749 275 L CB -0.628 41.516 42.059 0.142 0.000 0.901 275 L HN 0.448 nan 8.230 nan 0.000 0.433 276 H N 0.072 119.208 119.070 0.109 0.000 2.387 276 H HA -0.210 4.347 4.556 0.002 0.000 0.299 276 H C 2.399 177.812 175.328 0.143 0.000 1.090 276 H CA 1.271 57.387 56.048 0.114 0.000 1.332 276 H CB 0.373 30.192 29.762 0.095 0.000 1.386 276 H HN 0.057 nan 8.280 nan 0.000 0.516 277 R N 0.724 121.291 120.500 0.111 0.000 2.148 277 R HA -0.072 4.270 4.340 0.002 0.000 0.227 277 R C 2.078 178.481 176.300 0.171 0.000 1.103 277 R CA 0.571 56.723 56.100 0.087 0.000 0.983 277 R CB -0.674 29.734 30.300 0.181 0.000 0.874 277 R HN 0.308 nan 8.270 nan 0.000 0.451 278 L N -0.145 121.185 121.223 0.178 0.000 2.456 278 L HA 0.084 4.425 4.340 0.002 0.000 0.224 278 L C 1.285 178.352 176.870 0.329 0.000 1.148 278 L CA 1.592 56.551 54.840 0.198 0.000 0.825 278 L CB -0.109 42.059 42.059 0.180 0.000 0.937 278 L HN 0.279 nan 8.230 nan 0.000 0.450 279 M N -1.868 117.918 119.600 0.312 0.000 2.333 279 M HA 0.158 4.639 4.480 0.002 0.000 0.257 279 M C 0.160 176.691 176.300 0.385 0.000 1.078 279 M CA 0.105 55.642 55.300 0.395 0.000 1.005 279 M CB 0.440 33.202 32.600 0.271 0.000 1.444 279 M HN 0.108 nan 8.290 nan 0.000 0.496 280 Q N -1.032 118.909 119.800 0.235 0.000 2.306 280 Q HA 0.377 4.719 4.340 0.002 0.000 0.269 280 Q C -0.502 175.542 176.000 0.074 0.000 1.053 280 Q CA -0.801 55.056 55.803 0.089 0.000 0.879 280 Q CB 1.062 29.754 28.738 -0.077 0.000 1.344 280 Q HN 0.245 nan 8.270 nan 0.000 0.464 281 H N -2.107 116.987 119.070 0.040 0.000 2.820 281 H HA -0.190 4.368 4.556 0.002 0.000 0.295 281 H C -1.258 174.028 175.328 -0.070 0.000 1.187 281 H CA 0.385 56.415 56.048 -0.029 0.000 1.144 281 H CB -1.444 28.262 29.762 -0.094 0.000 1.354 281 H HN 0.437 nan 8.280 nan 0.000 0.395 282 W N 0.587 121.921 121.300 0.056 0.000 2.150 282 W HA 0.386 5.048 4.660 0.002 0.000 0.341 282 W C 0.781 177.311 176.519 0.017 0.000 1.276 282 W CA 0.900 58.266 57.345 0.035 0.000 1.238 282 W CB 0.892 30.360 29.460 0.013 0.000 1.128 282 W HN 0.246 nan 8.180 nan 0.000 0.581 283 T N -0.834 113.897 114.554 0.296 0.000 2.894 283 T HA 0.317 4.668 4.350 0.002 0.000 0.309 283 T C -2.364 172.437 174.700 0.168 0.000 1.208 283 T CA -1.944 60.255 62.100 0.165 0.000 1.016 283 T CB 2.004 70.918 68.868 0.076 0.000 1.192 283 T HN 0.017 nan 8.240 nan 0.000 0.491 284 P HA -0.030 nan 4.420 nan 0.000 0.218 284 P C 1.513 178.841 177.300 0.045 0.000 1.148 284 P CA 0.730 63.868 63.100 0.063 0.000 0.822 284 P CB 0.138 31.857 31.700 0.031 0.000 0.784 285 R N -0.008 120.505 120.500 0.023 0.000 2.075 285 R HA -0.133 4.208 4.340 0.002 0.000 0.232 285 R C 2.307 178.572 176.300 -0.059 0.000 1.126 285 R CA 1.460 57.545 56.100 -0.025 0.000 0.963 285 R CB -0.620 29.653 30.300 -0.045 0.000 0.858 285 R HN 0.138 nan 8.270 nan 0.000 0.435 286 Q N -0.416 119.367 119.800 -0.028 0.000 2.077 286 Q HA -0.188 4.154 4.340 0.002 0.000 0.206 286 Q C 2.074 178.125 176.000 0.085 0.000 0.989 286 Q CA 2.177 57.955 55.803 -0.041 0.000 0.853 286 Q CB -0.109 28.608 28.738 -0.035 0.000 0.907 286 Q HN 0.222 nan 8.270 nan 0.000 0.418 287 V N 0.682 120.719 119.914 0.204 0.000 2.490 287 V HA -0.249 3.872 4.120 0.002 0.000 0.250 287 V C 2.115 178.246 176.094 0.061 0.000 1.061 287 V CA 1.991 64.389 62.300 0.163 0.000 1.064 287 V CB -0.485 31.387 31.823 0.081 0.000 0.670 287 V HN 0.343 nan 8.190 nan 0.000 0.461 288 E N 0.455 120.667 120.200 0.020 0.000 2.076 288 E HA -0.103 4.249 4.350 0.002 0.000 0.190 288 E C 2.027 178.616 176.600 -0.018 0.000 0.979 288 E CA 1.068 57.466 56.400 -0.002 0.000 0.807 288 E CB -0.360 29.334 29.700 -0.012 0.000 0.761 288 E HN 0.539 nan 8.360 nan 0.000 0.454 289 L N 0.273 121.444 121.223 -0.087 0.000 2.187 289 L HA -0.164 4.177 4.340 0.002 0.000 0.213 289 L C 2.351 179.254 176.870 0.055 0.000 1.100 289 L CA 0.789 55.536 54.840 -0.155 0.000 0.765 289 L CB -0.410 41.315 42.059 -0.556 0.000 0.904 289 L HN 0.239 nan 8.230 nan 0.000 0.437 290 L N -0.442 120.844 121.223 0.105 0.000 2.265 290 L HA -0.200 4.142 4.340 0.002 0.000 0.215 290 L C 2.400 179.442 176.870 0.286 0.000 1.117 290 L CA 0.581 55.572 54.840 0.250 0.000 0.782 290 L CB -0.303 41.827 42.059 0.118 0.000 0.914 290 L HN 0.233 nan 8.230 nan 0.000 0.441 291 E N 0.537 120.822 120.200 0.140 0.000 2.267 291 E HA -0.209 4.143 4.350 0.002 0.000 0.197 291 E C 2.076 178.718 176.600 0.069 0.000 0.998 291 E CA 0.980 57.431 56.400 0.086 0.000 0.830 291 E CB -0.183 29.539 29.700 0.035 0.000 0.751 291 E HN 0.442 nan 8.360 nan 0.000 0.491 292 L N -0.465 120.789 121.223 0.051 0.000 2.275 292 L HA -0.033 4.308 4.340 0.002 0.000 0.215 292 L C 0.287 177.030 176.870 -0.212 0.000 1.119 292 L CA 0.111 54.856 54.840 -0.158 0.000 0.790 292 L CB -0.147 41.700 42.059 -0.353 0.000 0.919 292 L HN 0.028 nan 8.230 nan 0.000 0.443 293 F N -0.587 119.401 119.950 0.063 0.000 2.408 293 F HA 0.244 4.772 4.527 0.002 0.000 0.325 293 F C 1.309 177.152 175.800 0.072 0.000 1.082 293 F CA -1.301 56.753 58.000 0.090 0.000 1.032 293 F CB 0.509 39.578 39.000 0.115 0.000 1.259 293 F HN -0.182 nan 8.300 nan 0.000 0.503 294 T N -2.279 112.435 114.554 0.268 0.000 2.908 294 T HA 0.003 4.354 4.350 0.002 0.000 0.325 294 T C 1.128 175.919 174.700 0.152 0.000 1.092 294 T CA -0.082 62.126 62.100 0.179 0.000 1.125 294 T CB 0.426 69.402 68.868 0.181 0.000 1.016 294 T HN 0.676 nan 8.240 nan 0.000 0.550 295 T N 3.284 117.898 114.554 0.099 0.000 2.665 295 T HA -0.062 4.289 4.350 0.002 0.000 0.268 295 T C -0.758 173.960 174.700 0.030 0.000 1.035 295 T CA 1.743 63.878 62.100 0.058 0.000 1.151 295 T CB -1.489 67.404 68.868 0.043 0.000 0.862 295 T HN 0.604 nan 8.240 nan 0.000 0.438 296 P HA 0.055 nan 4.420 nan 0.000 0.219 296 P C 1.598 178.852 177.300 -0.077 0.000 1.150 296 P CA 0.432 63.550 63.100 0.030 0.000 0.814 296 P CB -0.182 31.602 31.700 0.140 0.000 0.787 297 V N -0.005 119.953 119.914 0.073 0.000 2.453 297 V HA -0.159 3.962 4.120 0.002 0.000 0.247 297 V C 2.719 178.738 176.094 -0.124 0.000 1.048 297 V CA 1.586 63.924 62.300 0.063 0.000 1.049 297 V CB -0.943 31.063 31.823 0.305 0.000 0.672 297 V HN 0.052 nan 8.190 nan 0.000 0.457 298 R N 0.367 120.856 120.500 -0.018 0.000 2.062 298 R HA -0.178 4.164 4.340 0.002 0.000 0.231 298 R C 2.279 178.508 176.300 -0.119 0.000 1.136 298 R CA 2.003 58.094 56.100 -0.015 0.000 0.948 298 R CB -0.235 30.099 30.300 0.056 0.000 0.845 298 R HN 0.570 nan 8.270 nan 0.000 0.430 299 E N -0.746 119.359 120.200 -0.159 0.000 2.051 299 E HA -0.137 4.215 4.350 0.002 0.000 0.192 299 E C 1.915 178.318 176.600 -0.328 0.000 0.991 299 E CA 1.154 57.439 56.400 -0.192 0.000 0.799 299 E CB -0.246 29.364 29.700 -0.149 0.000 0.748 299 E HN 0.617 nan 8.360 nan 0.000 0.449 300 G N 1.512 109.920 108.800 -0.654 0.000 2.459 300 G HA2 -0.255 3.706 3.960 0.002 0.000 0.217 300 G HA3 -0.255 3.706 3.960 0.002 0.000 0.217 300 G C 1.509 176.013 174.900 -0.660 0.000 1.183 300 G CA 0.309 44.689 45.100 -1.200 0.000 0.776 300 G HN 0.131 nan 8.290 nan 0.000 0.552 301 L N 0.029 120.985 121.223 -0.445 0.000 2.156 301 L HA 0.068 4.409 4.340 0.002 0.000 0.208 301 L C 3.092 180.030 176.870 0.113 0.000 1.095 301 L CA 0.947 55.820 54.840 0.055 0.000 0.770 301 L CB -0.398 41.747 42.059 0.143 0.000 0.914 301 L HN 0.260 nan 8.230 nan 0.000 0.439 302 R N -0.952 119.505 120.500 -0.072 0.000 2.096 302 R HA -0.142 4.200 4.340 0.002 0.000 0.235 302 R C 2.021 178.166 176.300 -0.258 0.000 1.127 302 R CA 1.826 57.794 56.100 -0.220 0.000 0.968 302 R CB -0.423 29.765 30.300 -0.187 0.000 0.861 302 R HN 0.353 nan 8.270 nan 0.000 0.440 303 T N 0.438 114.894 114.554 -0.164 0.000 2.737 303 T HA -0.215 4.136 4.350 0.002 0.000 0.269 303 T C 1.921 176.578 174.700 -0.072 0.000 1.040 303 T CA 1.334 63.362 62.100 -0.120 0.000 1.142 303 T CB -0.443 68.369 68.868 -0.094 0.000 0.861 303 T HN 0.389 nan 8.240 nan 0.000 0.456 304 C N 1.537 120.852 119.300 0.025 0.000 2.430 304 C HA -0.054 4.407 4.460 0.002 0.000 0.288 304 C C 2.716 177.754 174.990 0.080 0.000 1.448 304 C CA 0.239 59.360 59.018 0.171 0.000 1.784 304 C CB -1.400 26.585 27.740 0.409 0.000 1.776 304 C HN 0.608 nan 8.230 nan 0.000 0.547 305 Q N -0.006 119.598 119.800 -0.327 0.000 2.224 305 Q HA -0.114 4.227 4.340 0.002 0.000 0.203 305 Q C 2.280 178.163 176.000 -0.195 0.000 0.970 305 Q CA 1.246 56.727 55.803 -0.537 0.000 0.865 305 Q CB 0.005 28.248 28.738 -0.826 0.000 0.922 305 Q HN 0.699 nan 8.270 nan 0.000 0.445 306 R N -0.306 120.120 120.500 -0.123 0.000 2.221 306 R HA 0.165 4.507 4.340 0.002 0.000 0.195 306 R C 0.254 176.554 176.300 0.000 0.000 0.956 306 R CA 0.338 56.402 56.100 -0.060 0.000 1.064 306 R CB 0.622 30.876 30.300 -0.076 0.000 1.049 306 R HN 0.068 nan 8.270 nan 0.000 0.534 307 R N -0.123 120.391 120.500 0.024 0.000 2.664 307 R HA 0.372 4.713 4.340 0.002 0.000 0.266 307 R C -3.274 173.085 176.300 0.098 0.000 1.046 307 R CA -1.985 54.148 56.100 0.056 0.000 0.885 307 R CB 0.970 31.283 30.300 0.021 0.000 1.254 307 R HN -0.268 nan 8.270 nan 0.000 0.465 308 P HA 0.195 nan 4.420 nan 0.000 0.267 308 P C -1.170 176.227 177.300 0.161 0.000 1.205 308 P CA 0.013 63.243 63.100 0.217 0.000 0.765 308 P CB 1.160 33.025 31.700 0.275 0.000 0.828 309 A N 3.047 126.001 122.820 0.222 0.000 2.449 309 A HA 0.754 5.076 4.320 0.002 0.000 0.302 309 A C -0.493 177.273 177.584 0.303 0.000 1.048 309 A CA -0.468 51.627 52.037 0.096 0.000 0.708 309 A CB 0.590 19.668 19.000 0.131 0.000 1.274 309 A HN 0.580 nan 8.150 nan 0.000 0.410 310 F N -0.435 119.615 119.950 0.167 0.000 3.064 310 F HA 0.209 4.737 4.527 0.002 0.000 0.406 310 F C 0.837 176.485 175.800 -0.254 0.000 1.027 310 F CA -0.248 57.668 58.000 -0.139 0.000 0.960 310 F CB -0.466 38.437 39.000 -0.161 0.000 1.418 310 F HN 0.360 nan 8.300 nan 0.000 0.536 311 N N 2.319 120.845 118.700 -0.290 0.000 2.132 311 N HA -0.204 4.537 4.740 0.002 0.000 0.191 311 N C 1.673 177.158 175.510 -0.042 0.000 1.015 311 N CA 2.316 55.297 53.050 -0.114 0.000 0.864 311 N CB -0.717 37.697 38.487 -0.122 0.000 1.006 311 N HN 0.649 nan 8.380 nan 0.000 0.430 312 F N -0.585 119.366 119.950 0.002 0.000 2.293 312 F HA 0.111 4.639 4.527 0.002 0.000 0.300 312 F C 1.291 177.151 175.800 0.100 0.000 1.086 312 F CA 0.275 58.302 58.000 0.046 0.000 1.375 312 F CB -0.575 38.450 39.000 0.042 0.000 1.045 312 F HN -0.126 nan 8.300 nan 0.000 0.516 313 M N 3.519 122.583 119.600 -0.893 0.000 3.690 313 M HA 0.173 4.654 4.480 0.002 0.000 0.209 313 M C -0.426 175.786 176.300 -0.147 0.000 1.403 313 M CA -1.223 53.744 55.300 -0.555 0.000 1.621 313 M CB -1.677 30.452 32.600 -0.784 0.000 1.056 313 M HN 0.368 nan 8.290 nan 0.000 0.593 314 D N -0.962 119.443 120.400 0.009 0.000 2.440 314 D HA 0.010 4.651 4.640 0.002 0.000 0.269 314 D C 0.813 177.239 176.300 0.210 0.000 1.249 314 D CA -0.210 53.842 54.000 0.087 0.000 1.055 314 D CB 0.251 41.111 40.800 0.100 0.000 1.104 314 D HN 0.471 nan 8.370 nan 0.000 0.561 315 E N -0.921 119.426 120.200 0.246 0.000 2.058 315 E HA -0.230 4.121 4.350 0.002 0.000 0.194 315 E C 2.102 178.967 176.600 0.441 0.000 0.997 315 E CA 1.389 57.997 56.400 0.346 0.000 0.801 315 E CB -0.076 29.761 29.700 0.228 0.000 0.746 315 E HN 0.467 nan 8.360 nan 0.000 0.450 316 M N -0.132 119.661 119.600 0.323 0.000 2.099 316 M HA -0.121 4.361 4.480 0.002 0.000 0.262 316 M C 2.414 178.889 176.300 0.291 0.000 1.067 316 M CA 1.483 56.962 55.300 0.298 0.000 1.124 316 M CB -0.099 32.633 32.600 0.220 0.000 1.353 316 M HN 0.203 nan 8.290 nan 0.000 0.410 317 A N -0.378 122.618 122.820 0.293 0.000 2.019 317 A HA -0.214 4.107 4.320 0.002 0.000 0.219 317 A C 2.013 179.815 177.584 0.363 0.000 1.164 317 A CA 1.075 53.297 52.037 0.307 0.000 0.644 317 A CB -1.139 18.050 19.000 0.316 0.000 0.805 317 A HN 0.835 nan 8.150 nan 0.000 0.449 318 W N 0.483 121.894 121.300 0.184 0.000 2.443 318 W HA -0.056 4.605 4.660 0.002 0.000 0.296 318 W C 2.229 178.845 176.519 0.161 0.000 1.202 318 W CA 1.202 58.654 57.345 0.178 0.000 1.312 318 W CB -0.131 29.443 29.460 0.189 0.000 1.120 318 W HN 0.419 nan 8.180 nan 0.000 0.536 319 A N 1.442 124.305 122.820 0.071 0.000 1.865 319 A HA -0.187 4.134 4.320 0.002 0.000 0.217 319 A C 2.139 179.671 177.584 -0.086 0.000 1.191 319 A CA 2.943 54.846 52.037 -0.223 0.000 0.623 319 A CB -1.447 17.487 19.000 -0.111 0.000 0.826 319 A HN 0.341 nan 8.150 nan 0.000 0.444 320 A N -1.157 121.726 122.820 0.104 0.000 1.883 320 A HA -0.115 4.206 4.320 0.002 0.000 0.217 320 A C 2.309 179.982 177.584 0.149 0.000 1.186 320 A CA 2.418 54.559 52.037 0.173 0.000 0.624 320 A CB -1.424 17.691 19.000 0.190 0.000 0.822 320 A HN 0.457 nan 8.150 nan 0.000 0.444 321 T N -1.682 112.954 114.554 0.135 0.000 2.720 321 T HA -0.196 4.155 4.350 0.002 0.000 0.268 321 T C 1.764 176.416 174.700 -0.080 0.000 1.037 321 T CA 1.749 63.952 62.100 0.171 0.000 1.144 321 T CB -0.430 68.519 68.868 0.136 0.000 0.864 321 T HN 0.533 nan 8.240 nan 0.000 0.444 322 Y N 1.087 121.073 120.300 -0.523 0.000 2.224 322 Y HA -0.196 4.355 4.550 0.002 0.000 0.289 322 Y C 2.623 178.328 175.900 -0.326 0.000 1.146 322 Y CA 1.381 59.128 58.100 -0.588 0.000 1.182 322 Y CB -0.180 37.795 38.460 -0.808 0.000 0.983 322 Y HN 0.360 nan 8.280 nan 0.000 0.524 323 H N -1.725 117.356 119.070 0.020 0.000 2.363 323 H HA -0.093 4.464 4.556 0.002 0.000 0.301 323 H C 2.467 177.772 175.328 -0.039 0.000 1.074 323 H CA 1.689 57.735 56.048 -0.004 0.000 1.354 323 H CB -0.516 29.230 29.762 -0.026 0.000 1.397 323 H HN 0.236 nan 8.280 nan 0.000 0.516 324 V N 1.425 121.375 119.914 0.060 0.000 2.332 324 V HA -0.242 3.879 4.120 0.002 0.000 0.248 324 V C 2.808 178.878 176.094 -0.040 0.000 1.055 324 V CA 1.378 63.643 62.300 -0.058 0.000 1.038 324 V CB -0.710 30.861 31.823 -0.421 0.000 0.651 324 V HN 0.222 nan 8.190 nan 0.000 0.450 325 L N -0.892 120.323 121.223 -0.014 0.000 2.046 325 L HA -0.170 4.171 4.340 0.002 0.000 0.208 325 L C 2.421 179.325 176.870 0.056 0.000 1.077 325 L CA 1.449 56.268 54.840 -0.035 0.000 0.747 325 L CB -0.516 41.306 42.059 -0.394 0.000 0.896 325 L HN 0.275 nan 8.230 nan 0.000 0.432 326 L N -0.447 120.809 121.223 0.056 0.000 2.127 326 L HA -0.253 4.088 4.340 0.002 0.000 0.211 326 L C 2.570 179.389 176.870 -0.086 0.000 1.089 326 L CA 1.405 56.240 54.840 -0.008 0.000 0.757 326 L CB -0.326 41.705 42.059 -0.047 0.000 0.899 326 L HN 0.366 nan 8.230 nan 0.000 0.434 327 E N -1.162 118.961 120.200 -0.128 0.000 2.190 327 E HA -0.132 4.219 4.350 0.002 0.000 0.191 327 E C 1.473 177.785 176.600 -0.479 0.000 0.978 327 E CA 0.694 56.914 56.400 -0.299 0.000 0.839 327 E CB 0.258 29.733 29.700 -0.376 0.000 0.787 327 E HN 0.596 nan 8.360 nan 0.000 0.473 328 H N -1.938 116.996 119.070 -0.227 0.000 3.046 328 H HA 0.165 4.722 4.556 0.002 0.000 0.262 328 H C -0.411 174.334 175.328 -0.972 0.000 1.044 328 H CA -0.456 55.352 56.048 -0.398 0.000 1.209 328 H CB 0.506 30.136 29.762 -0.220 0.000 1.507 328 H HN 0.031 nan 8.280 nan 0.000 0.507 329 F N 2.632 122.032 119.950 -0.917 0.000 2.484 329 F HA 0.176 4.704 4.527 0.002 0.000 0.360 329 F C -0.272 175.106 175.800 -0.705 0.000 1.101 329 F CA -0.103 57.215 58.000 -1.137 0.000 1.251 329 F CB 0.610 39.382 39.000 -0.380 0.000 1.132 329 F HN -0.005 nan 8.300 nan 0.000 0.570 330 Q N 7.841 126.767 119.800 -1.458 0.000 2.363 330 Q HA 0.317 4.659 4.340 0.002 0.000 0.265 330 Q C -2.416 173.000 176.000 -0.973 0.000 1.032 330 Q CA -2.334 52.951 55.803 -0.863 0.000 0.746 330 Q CB 1.461 29.944 28.738 -0.426 0.000 1.237 330 Q HN 0.402 nan 8.270 nan 0.000 0.475 331 P HA -0.076 nan 4.420 nan 0.000 0.264 331 P C 0.848 178.044 177.300 -0.173 0.000 1.183 331 P CA 1.109 64.047 63.100 -0.271 0.000 0.763 331 P CB 0.660 32.378 31.700 0.029 0.000 0.807 332 G N 1.840 110.587 108.800 -0.089 0.000 2.268 332 G HA2 -0.219 3.742 3.960 0.002 0.000 0.240 332 G HA3 -0.219 3.742 3.960 0.002 0.000 0.240 332 G C 0.112 174.989 174.900 -0.038 0.000 1.010 332 G CA 0.079 45.152 45.100 -0.045 0.000 0.618 332 G HN 0.674 nan 8.290 nan 0.000 0.516 333 D N 1.750 122.114 120.400 -0.059 0.000 2.336 333 D HA 0.401 5.042 4.640 0.002 0.000 0.249 333 D C -0.587 175.735 176.300 0.037 0.000 1.213 333 D CA -1.647 52.365 54.000 0.021 0.000 0.870 333 D CB 1.429 42.307 40.800 0.130 0.000 1.076 333 D HN 0.123 nan 8.370 nan 0.000 0.483 334 P HA -0.116 nan 4.420 nan 0.000 0.216 334 P C 0.770 178.071 177.300 0.001 0.000 1.150 334 P CA 0.881 63.984 63.100 0.004 0.000 0.837 334 P CB 0.420 32.114 31.700 -0.010 0.000 0.786 335 D N -1.882 118.506 120.400 -0.021 0.000 2.117 335 D HA -0.132 4.509 4.640 0.002 0.000 0.198 335 D C 2.001 178.246 176.300 -0.091 0.000 0.982 335 D CA 1.008 54.954 54.000 -0.091 0.000 0.828 335 D CB -0.704 40.001 40.800 -0.158 0.000 0.967 335 D HN 0.270 nan 8.370 nan 0.000 0.464 336 W N 1.935 123.225 121.300 -0.017 0.000 2.358 336 W HA -0.098 4.563 4.660 0.002 0.000 0.303 336 W C 2.506 179.134 176.519 0.182 0.000 1.208 336 W CA 0.667 58.027 57.345 0.025 0.000 1.274 336 W CB -0.038 29.289 29.460 -0.221 0.000 1.138 336 W HN 0.023 nan 8.180 nan 0.000 0.515 337 E N -0.128 120.277 120.200 0.342 0.000 2.077 337 E HA -0.265 4.086 4.350 0.002 0.000 0.193 337 E C 1.830 178.573 176.600 0.240 0.000 0.989 337 E CA 1.484 58.101 56.400 0.362 0.000 0.800 337 E CB -0.270 29.539 29.700 0.183 0.000 0.746 337 E HN 0.159 nan 8.360 nan 0.000 0.452 338 E N 1.070 121.332 120.200 0.104 0.000 2.150 338 E HA -0.159 4.192 4.350 0.002 0.000 0.193 338 E C 1.867 178.500 176.600 0.055 0.000 0.985 338 E CA 0.519 56.942 56.400 0.039 0.000 0.814 338 E CB -0.110 29.541 29.700 -0.080 0.000 0.752 338 E HN 0.107 nan 8.360 nan 0.000 0.466 339 L N -0.026 121.215 121.223 0.030 0.000 2.109 339 L HA 0.011 4.353 4.340 0.002 0.000 0.207 339 L C 2.207 179.125 176.870 0.079 0.000 1.086 339 L CA 1.329 56.152 54.840 -0.029 0.000 0.760 339 L CB -0.640 41.383 42.059 -0.061 0.000 0.910 339 L HN 0.372 nan 8.230 nan 0.000 0.437 340 L N -1.381 119.969 121.223 0.212 0.000 2.046 340 L HA -0.199 4.142 4.340 0.002 0.000 0.208 340 L C 2.305 179.235 176.870 0.100 0.000 1.077 340 L CA 1.846 56.733 54.840 0.077 0.000 0.747 340 L CB -0.911 41.082 42.059 -0.110 0.000 0.896 340 L HN 0.328 nan 8.230 nan 0.000 0.432 341 F N 0.383 120.346 119.950 0.022 0.000 2.134 341 F HA -0.164 4.364 4.527 0.002 0.000 0.299 341 F C 2.267 178.127 175.800 0.099 0.000 1.097 341 F CA 1.816 59.853 58.000 0.062 0.000 1.264 341 F CB -0.239 38.763 39.000 0.002 0.000 1.001 341 F HN 0.021 nan 8.300 nan 0.000 0.479 342 K N 0.312 120.677 120.400 -0.059 0.000 2.097 342 K HA -0.108 4.214 4.320 0.002 0.000 0.205 342 K C 2.115 178.647 176.600 -0.112 0.000 1.050 342 K CA 1.605 57.789 56.287 -0.171 0.000 0.938 342 K CB -0.352 32.068 32.500 -0.133 0.000 0.718 342 K HN 0.350 nan 8.250 nan 0.000 0.442 343 L N -0.625 120.593 121.223 -0.007 0.000 2.017 343 L HA -0.194 4.147 4.340 0.002 0.000 0.208 343 L C 2.398 179.344 176.870 0.126 0.000 1.073 343 L CA 1.283 56.189 54.840 0.110 0.000 0.745 343 L CB -0.471 41.667 42.059 0.133 0.000 0.894 343 L HN 0.364 nan 8.230 nan 0.000 0.432 344 W N 0.897 122.127 121.300 -0.117 0.000 2.358 344 W HA -0.205 4.456 4.660 0.002 0.000 0.303 344 W C 2.487 178.709 176.519 -0.496 0.000 1.208 344 W CA 2.027 59.177 57.345 -0.325 0.000 1.274 344 W CB -0.506 28.817 29.460 -0.228 0.000 1.138 344 W HN -0.032 nan 8.180 nan 0.000 0.515 345 T N 0.033 114.240 114.554 -0.578 0.000 2.699 345 T HA -0.291 4.060 4.350 0.002 0.000 0.268 345 T C 1.738 176.086 174.700 -0.586 0.000 1.036 345 T CA 2.925 64.562 62.100 -0.772 0.000 1.147 345 T CB -0.940 67.513 68.868 -0.692 0.000 0.862 345 T HN 0.435 nan 8.240 nan 0.000 0.446 346 T N 0.195 114.530 114.554 -0.366 0.000 2.904 346 T HA -0.007 4.344 4.350 0.002 0.000 0.267 346 T C 1.983 176.435 174.700 -0.413 0.000 1.059 346 T CA 0.833 62.774 62.100 -0.265 0.000 1.137 346 T CB -0.152 68.651 68.868 -0.110 0.000 0.879 346 T HN 0.130 nan 8.240 nan 0.000 0.467 347 R N 1.356 121.517 120.500 -0.566 0.000 2.066 347 R HA 0.103 4.444 4.340 0.002 0.000 0.232 347 R C 2.287 178.199 176.300 -0.646 0.000 1.131 347 R CA 1.338 57.022 56.100 -0.693 0.000 0.955 347 R CB -1.278 28.259 30.300 -1.272 0.000 0.851 347 R HN 0.353 nan 8.270 nan 0.000 0.432 348 V N 0.960 120.366 119.914 -0.847 0.000 2.343 348 V HA -0.240 3.882 4.120 0.002 0.000 0.247 348 V C 2.339 178.163 176.094 -0.450 0.000 1.051 348 V CA 1.942 63.809 62.300 -0.723 0.000 1.036 348 V CB -0.490 30.649 31.823 -1.140 0.000 0.654 348 V HN 0.280 nan 8.190 nan 0.000 0.451 349 L N 0.438 121.333 121.223 -0.548 0.000 2.046 349 L HA -0.185 4.156 4.340 0.002 0.000 0.208 349 L C 2.565 179.110 176.870 -0.542 0.000 1.077 349 L CA 1.871 56.333 54.840 -0.630 0.000 0.747 349 L CB -0.795 40.652 42.059 -1.021 0.000 0.896 349 L HN 0.453 nan 8.230 nan 0.000 0.432 350 N N 0.033 118.541 118.700 -0.320 0.000 2.120 350 N HA -0.278 4.463 4.740 0.002 0.000 0.188 350 N C 2.074 177.487 175.510 -0.162 0.000 1.024 350 N CA 1.619 54.612 53.050 -0.096 0.000 0.852 350 N CB -0.100 38.330 38.487 -0.095 0.000 1.003 350 N HN 0.402 nan 8.380 nan 0.000 0.424 351 Y N 1.699 121.810 120.300 -0.314 0.000 2.200 351 Y HA -0.100 4.451 4.550 0.002 0.000 0.290 351 Y C 2.347 178.076 175.900 -0.285 0.000 1.137 351 Y CA 2.103 60.002 58.100 -0.334 0.000 1.163 351 Y CB -0.761 37.491 38.460 -0.346 0.000 0.988 351 Y HN -0.022 nan 8.280 nan 0.000 0.518 352 T N 1.246 115.565 114.554 -0.391 0.000 2.708 352 T HA -0.173 4.178 4.350 0.002 0.000 0.266 352 T C 1.749 176.224 174.700 -0.376 0.000 1.037 352 T CA 1.987 63.846 62.100 -0.402 0.000 1.146 352 T CB -0.213 68.555 68.868 -0.166 0.000 0.865 352 T HN 0.278 nan 8.240 nan 0.000 0.435 353 M N 1.591 121.024 119.600 -0.279 0.000 2.349 353 M HA 0.064 4.546 4.480 0.002 0.000 0.266 353 M C 2.439 178.627 176.300 -0.187 0.000 1.076 353 M CA 1.239 56.435 55.300 -0.173 0.000 1.126 353 M CB -1.671 30.926 32.600 -0.004 0.000 1.392 353 M HN 0.463 nan 8.290 nan 0.000 0.440 354 T N -3.996 110.416 114.554 -0.237 0.000 3.001 354 T HA 0.286 4.637 4.350 0.002 0.000 0.251 354 T C 1.507 176.008 174.700 -0.331 0.000 1.040 354 T CA 0.099 62.062 62.100 -0.229 0.000 0.985 354 T CB 0.146 68.916 68.868 -0.164 0.000 1.011 354 T HN 0.087 nan 8.240 nan 0.000 0.509 355 V N 0.564 120.193 119.914 -0.476 0.000 3.161 355 V HA 0.480 4.601 4.120 0.002 0.000 0.221 355 V C 2.885 178.692 176.094 -0.479 0.000 1.296 355 V CA 0.530 62.534 62.300 -0.493 0.000 1.306 355 V CB -0.566 30.800 31.823 -0.761 0.000 1.171 355 V HN 0.431 nan 8.190 nan 0.000 0.513 356 A N -0.016 122.362 122.820 -0.737 0.000 1.969 356 A HA -0.129 4.192 4.320 0.002 0.000 0.218 356 A C 1.997 179.415 177.584 -0.277 0.000 1.169 356 A CA 1.674 53.415 52.037 -0.493 0.000 0.635 356 A CB -0.474 18.224 19.000 -0.503 0.000 0.810 356 A HN 0.384 nan 8.150 nan 0.000 0.445 357 L N -0.047 121.002 121.223 -0.290 0.000 2.362 357 L HA -0.008 4.333 4.340 0.002 0.000 0.219 357 L C 2.055 178.807 176.870 -0.197 0.000 1.134 357 L CA 1.342 56.056 54.840 -0.209 0.000 0.807 357 L CB -0.649 41.288 42.059 -0.203 0.000 0.927 357 L HN 0.361 nan 8.230 nan 0.000 0.447 358 R N -0.455 119.891 120.500 -0.258 0.000 2.313 358 R HA 0.379 4.720 4.340 0.002 0.000 0.199 358 R C 0.591 176.812 176.300 -0.133 0.000 0.958 358 R CA 0.515 56.441 56.100 -0.289 0.000 1.047 358 R CB -0.104 29.805 30.300 -0.651 0.000 0.955 358 R HN 0.384 nan 8.270 nan 0.000 0.481 359 G N -0.253 108.510 108.800 -0.062 0.000 2.587 359 G HA2 -0.288 3.673 3.960 0.002 0.000 0.686 359 G HA3 -0.288 3.673 3.960 0.002 0.000 0.686 359 G C -0.225 174.735 174.900 0.100 0.000 1.236 359 G CA -0.549 44.573 45.100 0.038 0.000 0.820 359 G HN 0.108 nan 8.290 nan 0.000 0.645 360 Y N 0.521 120.842 120.300 0.035 0.000 2.069 360 Y HA -0.200 4.351 4.550 0.002 0.000 0.278 360 Y C 2.572 178.519 175.900 0.078 0.000 1.175 360 Y CA 3.004 61.136 58.100 0.053 0.000 1.134 360 Y CB 0.116 38.605 38.460 0.049 0.000 0.965 360 Y HN 0.589 nan 8.280 nan 0.000 0.498 361 D N -1.593 118.944 120.400 0.228 0.000 2.149 361 D HA -0.191 4.450 4.640 0.002 0.000 0.201 361 D C 1.879 178.228 176.300 0.082 0.000 0.972 361 D CA 1.301 55.400 54.000 0.164 0.000 0.835 361 D CB -0.730 40.170 40.800 0.166 0.000 0.966 361 D HN 0.470 nan 8.370 nan 0.000 0.476 362 Y N 1.802 122.100 120.300 -0.004 0.000 2.163 362 Y HA -0.134 4.417 4.550 0.002 0.000 0.288 362 Y C 2.308 178.186 175.900 -0.036 0.000 1.136 362 Y CA 1.686 59.775 58.100 -0.018 0.000 1.147 362 Y CB -0.300 38.136 38.460 -0.040 0.000 0.987 362 Y HN -0.060 nan 8.280 nan 0.000 0.509 363 A N -0.012 122.859 122.820 0.085 0.000 1.883 363 A HA -0.289 4.032 4.320 0.002 0.000 0.217 363 A C 2.142 179.653 177.584 -0.121 0.000 1.186 363 A CA 2.014 54.040 52.037 -0.019 0.000 0.624 363 A CB -1.029 17.905 19.000 -0.110 0.000 0.822 363 A HN 0.573 nan 8.150 nan 0.000 0.444 364 Q N -0.447 119.215 119.800 -0.230 0.000 2.045 364 Q HA -0.258 4.083 4.340 0.002 0.000 0.206 364 Q C 2.308 178.295 176.000 -0.021 0.000 0.991 364 Q CA 2.448 58.149 55.803 -0.170 0.000 0.851 364 Q CB -0.391 28.279 28.738 -0.114 0.000 0.911 364 Q HN 0.756 nan 8.270 nan 0.000 0.418 365 Q N -1.062 118.706 119.800 -0.053 0.000 2.061 365 Q HA -0.253 4.089 4.340 0.002 0.000 0.204 365 Q C 2.056 177.971 176.000 -0.141 0.000 0.984 365 Q CA 1.905 57.664 55.803 -0.074 0.000 0.846 365 Q CB -0.474 28.166 28.738 -0.163 0.000 0.902 365 Q HN 0.652 nan 8.270 nan 0.000 0.421 366 Y N 0.976 121.070 120.300 -0.344 0.000 2.165 366 Y HA -0.232 4.319 4.550 0.002 0.000 0.286 366 Y C 2.029 177.755 175.900 -0.290 0.000 1.155 366 Y CA 1.748 59.652 58.100 -0.326 0.000 1.164 366 Y CB -0.346 37.941 38.460 -0.289 0.000 0.978 366 Y HN 0.106 nan 8.280 nan 0.000 0.513 367 L N -1.192 119.809 121.223 -0.369 0.000 2.017 367 L HA -0.267 4.074 4.340 0.002 0.000 0.208 367 L C 2.233 178.743 176.870 -0.601 0.000 1.073 367 L CA 1.612 56.004 54.840 -0.747 0.000 0.745 367 L CB -0.827 40.289 42.059 -1.573 0.000 0.894 367 L HN 0.242 nan 8.230 nan 0.000 0.432 368 Y N -0.120 119.997 120.300 -0.304 0.000 2.224 368 Y HA -0.214 4.337 4.550 0.002 0.000 0.289 368 Y C 2.765 178.520 175.900 -0.241 0.000 1.146 368 Y CA 1.275 59.289 58.100 -0.143 0.000 1.182 368 Y CB -0.316 38.097 38.460 -0.079 0.000 0.983 368 Y HN 0.031 nan 8.280 nan 0.000 0.524 369 R N -0.599 119.785 120.500 -0.192 0.000 2.115 369 R HA -0.144 4.197 4.340 0.002 0.000 0.226 369 R C 2.360 178.420 176.300 -0.400 0.000 1.100 369 R CA 1.265 57.207 56.100 -0.263 0.000 0.980 369 R CB -0.345 29.793 30.300 -0.271 0.000 0.875 369 R HN 0.397 nan 8.270 nan 0.000 0.445 370 M N 0.927 120.147 119.600 -0.633 0.000 2.080 370 M HA -0.223 4.258 4.480 0.002 0.000 0.260 370 M C 1.934 177.894 176.300 -0.567 0.000 1.068 370 M CA 1.789 56.640 55.300 -0.748 0.000 1.109 370 M CB -0.075 32.032 32.600 -0.822 0.000 1.342 370 M HN 0.166 nan 8.290 nan 0.000 0.405 371 L N -0.403 120.637 121.223 -0.304 0.000 2.012 371 L HA -0.169 4.172 4.340 0.002 0.000 0.210 371 L C 2.677 179.471 176.870 -0.128 0.000 1.073 371 L CA 1.569 56.324 54.840 -0.142 0.000 0.748 371 L CB -1.615 40.361 42.059 -0.139 0.000 0.891 371 L HN 0.519 nan 8.230 nan 0.000 0.431 372 G N -0.193 108.509 108.800 -0.163 0.000 2.476 372 G HA2 -0.272 3.690 3.960 0.002 0.000 0.218 372 G HA3 -0.272 3.690 3.960 0.002 0.000 0.218 372 G C 1.752 176.641 174.900 -0.019 0.000 1.164 372 G CA 0.638 45.689 45.100 -0.081 0.000 0.768 372 G HN 0.307 nan 8.290 nan 0.000 0.560 373 R N -1.156 119.286 120.500 -0.097 0.000 2.092 373 R HA -0.012 4.329 4.340 0.002 0.000 0.231 373 R C 2.372 178.773 176.300 0.169 0.000 1.119 373 R CA 0.967 57.062 56.100 -0.008 0.000 0.970 373 R CB -0.381 29.852 30.300 -0.113 0.000 0.864 373 R HN 0.374 nan 8.270 nan 0.000 0.440 374 Y N 1.042 121.355 120.300 0.021 0.000 2.181 374 Y HA -0.147 4.404 4.550 0.002 0.000 0.288 374 Y C 2.327 178.240 175.900 0.022 0.000 1.146 374 Y CA 0.925 59.034 58.100 0.016 0.000 1.164 374 Y CB -0.493 37.948 38.460 -0.031 0.000 0.982 374 Y HN -0.023 nan 8.280 nan 0.000 0.515 375 R N -1.302 119.305 120.500 0.179 0.000 2.073 375 R HA -0.240 4.102 4.340 0.002 0.000 0.234 375 R C 2.213 178.572 176.300 0.098 0.000 1.134 375 R CA 1.881 58.040 56.100 0.099 0.000 0.952 375 R CB -0.879 29.472 30.300 0.085 0.000 0.850 375 R HN 0.407 nan 8.270 nan 0.000 0.433 376 Y N 1.696 122.016 120.300 0.034 0.000 2.181 376 Y HA -0.253 4.299 4.550 0.002 0.000 0.288 376 Y C 2.219 178.146 175.900 0.045 0.000 1.146 376 Y CA 1.645 59.765 58.100 0.034 0.000 1.164 376 Y CB -0.063 38.420 38.460 0.039 0.000 0.982 376 Y HN 0.055 nan 8.280 nan 0.000 0.515 377 Q N -0.017 119.882 119.800 0.164 0.000 2.050 377 Q HA -0.192 4.150 4.340 0.002 0.000 0.202 377 Q C 2.532 178.513 176.000 -0.031 0.000 0.980 377 Q CA 1.725 57.566 55.803 0.063 0.000 0.840 377 Q CB -0.409 28.439 28.738 0.183 0.000 0.898 377 Q HN 0.628 nan 8.270 nan 0.000 0.424 378 A N 0.673 123.494 122.820 0.002 0.000 1.930 378 A HA -0.077 4.245 4.320 0.002 0.000 0.217 378 A C 2.188 179.738 177.584 -0.056 0.000 1.175 378 A CA 1.509 53.530 52.037 -0.026 0.000 0.627 378 A CB -0.652 18.335 19.000 -0.020 0.000 0.815 378 A HN 0.398 nan 8.150 nan 0.000 0.443 379 A N -0.798 121.967 122.820 -0.092 0.000 2.119 379 A HA 0.202 4.523 4.320 0.002 0.000 0.217 379 A C 2.031 179.569 177.584 -0.076 0.000 1.153 379 A CA 0.938 52.936 52.037 -0.065 0.000 0.692 379 A CB -0.370 18.555 19.000 -0.125 0.000 0.799 379 A HN 0.462 nan 8.150 nan 0.000 0.458 380 L N -1.044 120.071 121.223 -0.180 0.000 2.162 380 L HA -0.038 4.304 4.340 0.002 0.000 0.205 380 L C 3.048 179.865 176.870 -0.089 0.000 1.086 380 L CA 1.219 55.957 54.840 -0.171 0.000 0.778 380 L CB -0.464 41.435 42.059 -0.266 0.000 0.928 380 L HN 0.558 nan 8.230 nan 0.000 0.446 381 E N 0.778 120.931 120.200 -0.078 0.000 2.347 381 E HA -0.038 4.314 4.350 0.002 0.000 0.196 381 E C 0.997 177.567 176.600 -0.049 0.000 1.008 381 E CA 0.894 57.255 56.400 -0.064 0.000 0.852 381 E CB -1.385 28.266 29.700 -0.081 0.000 0.783 381 E HN 0.685 nan 8.360 nan 0.000 0.505 382 N N 0.000 118.682 118.700 -0.029 0.000 1.763 382 N HA 0.000 4.741 4.740 0.002 0.000 0.220 382 N CA 0.000 53.046 53.050 -0.007 0.000 0.885 382 N CB 0.000 38.506 38.487 0.031 0.000 1.341 382 N HN 0.000 nan 8.380 nan 0.000 0.667