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 2bo6_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLVVFPFKHE HPEVLLHNVR VAAAHPRVHE VLCIGYERDQ TYEAVERAAP DATA SEQUENCE EISRATGTPV SVRLQERLGT LRPGKGDGMN TALRYFLEET QWERIHFYDA DATA SEQUENCE DITSFGPDWI TKAEEAADFG YGLVRHYFPR ASTDAMITWM ITRTGFALLW DATA SEQUENCE PHTELSWIEQ PLGGELLMRR EVAAMLYEDE RVRRRSDWGI DTLYTFVTVQ DATA SEQUENCE QGVSIYECYI PEGKAHRLYG GLDDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.462 174.600 -0.230 0.000 1.055 2 S CA 0.000 58.135 58.200 -0.109 0.000 1.107 2 S CB 0.000 63.200 63.200 -0.001 0.000 0.593 3 L N 3.523 124.709 121.223 -0.062 0.000 2.380 3 L HA 0.662 5.002 4.340 0.001 0.000 0.273 3 L C -0.880 175.913 176.870 -0.128 0.000 1.138 3 L CA 0.301 55.115 54.840 -0.044 0.000 0.832 3 L CB 0.806 42.969 42.059 0.172 0.000 1.124 3 L HN 0.507 nan 8.230 nan 0.000 0.454 4 V N 6.099 125.917 119.914 -0.159 0.000 2.380 4 V HA 0.378 4.498 4.120 0.001 0.000 0.286 4 V C -0.399 175.499 176.094 -0.327 0.000 1.015 4 V CA -0.706 61.449 62.300 -0.241 0.000 0.834 4 V CB 1.599 33.292 31.823 -0.216 0.000 1.009 4 V HN 0.525 nan 8.190 nan 0.000 0.428 5 V N 5.406 125.028 119.914 -0.486 0.000 2.439 5 V HA 0.510 4.631 4.120 0.001 0.000 0.282 5 V C -0.561 175.291 176.094 -0.403 0.000 1.039 5 V CA -0.310 61.753 62.300 -0.395 0.000 0.913 5 V CB 1.520 33.016 31.823 -0.544 0.000 0.983 5 V HN 0.706 nan 8.190 nan 0.000 0.460 6 F N 5.418 125.398 119.950 0.050 0.000 2.434 6 F HA 0.433 4.960 4.527 0.000 0.000 0.367 6 F C -2.345 173.578 175.800 0.205 0.000 1.093 6 F CA -2.269 55.794 58.000 0.104 0.000 1.085 6 F CB 1.845 40.852 39.000 0.011 0.000 1.322 6 F HN 0.344 nan 8.300 nan 0.000 0.452 7 P HA 0.141 nan 4.420 nan 0.000 0.276 7 P C -0.902 176.562 177.300 0.273 0.000 1.253 7 P CA 0.008 63.252 63.100 0.240 0.000 0.766 7 P CB 0.283 32.085 31.700 0.170 0.000 0.845 8 F N 1.905 121.901 119.950 0.076 0.000 2.611 8 F HA 0.795 5.322 4.527 0.001 0.000 0.324 8 F C 0.219 176.018 175.800 -0.002 0.000 1.061 8 F CA -1.115 56.906 58.000 0.035 0.000 0.954 8 F CB 1.727 40.731 39.000 0.007 0.000 1.301 8 F HN 0.137 nan 8.300 nan 0.000 0.482 9 K N -0.878 119.575 120.400 0.088 0.000 3.271 9 K HA 0.348 4.668 4.320 0.001 0.000 0.309 9 K C -0.517 176.056 176.600 -0.046 0.000 0.985 9 K CA -0.578 55.626 56.287 -0.138 0.000 1.306 9 K CB 0.427 32.804 32.500 -0.205 0.000 3.443 9 K HN 0.757 nan 8.250 nan 0.000 1.110 10 H N 2.185 121.323 119.070 0.113 0.000 2.483 10 H HA 0.274 4.831 4.556 0.001 0.000 0.224 10 H C -0.686 174.648 175.328 0.008 0.000 1.690 10 H CA -0.084 56.008 56.048 0.074 0.000 1.217 10 H CB -0.065 29.719 29.762 0.036 0.000 1.619 10 H HN 0.304 nan 8.280 nan 0.000 0.528 11 E N 0.729 120.997 120.200 0.113 0.000 2.280 11 E HA 0.145 4.496 4.350 0.001 0.000 0.264 11 E C 0.116 176.691 176.600 -0.041 0.000 1.064 11 E CA -0.933 55.478 56.400 0.017 0.000 0.900 11 E CB 1.442 31.180 29.700 0.063 0.000 1.123 11 E HN 0.401 nan 8.360 nan 0.000 0.418 12 H N 2.480 121.576 119.070 0.042 0.000 3.046 12 H HA -0.004 4.553 4.556 0.001 0.000 0.303 12 H C -1.370 173.943 175.328 -0.024 0.000 1.002 12 H CA -1.138 54.917 56.048 0.012 0.000 1.460 12 H CB 0.351 30.114 29.762 0.002 0.000 1.493 12 H HN 0.272 nan 8.280 nan 0.000 0.559 13 P HA -0.092 nan 4.420 nan 0.000 0.223 13 P C 1.048 178.318 177.300 -0.051 0.000 1.151 13 P CA 0.814 63.896 63.100 -0.030 0.000 0.787 13 P CB 0.615 32.301 31.700 -0.023 0.000 0.788 14 E N -0.134 120.060 120.200 -0.009 0.000 2.158 14 E HA -0.035 4.316 4.350 0.001 0.000 0.191 14 E C 2.106 178.685 176.600 -0.037 0.000 0.982 14 E CA 0.659 57.036 56.400 -0.039 0.000 0.823 14 E CB -0.460 29.211 29.700 -0.047 0.000 0.766 14 E HN 0.120 nan 8.360 nan 0.000 0.468 15 V N 1.612 121.523 119.914 -0.005 0.000 2.427 15 V HA -0.218 3.902 4.120 0.001 0.000 0.248 15 V C 2.395 178.439 176.094 -0.083 0.000 1.051 15 V CA 1.198 63.496 62.300 -0.002 0.000 1.048 15 V CB -0.431 31.419 31.823 0.046 0.000 0.666 15 V HN 0.174 nan 8.190 nan 0.000 0.456 16 L N -0.163 120.975 121.223 -0.142 0.000 2.023 16 L HA -0.055 4.285 4.340 0.001 0.000 0.205 16 L C 2.166 178.817 176.870 -0.367 0.000 1.073 16 L CA 1.835 56.494 54.840 -0.302 0.000 0.745 16 L CB -0.694 41.185 42.059 -0.299 0.000 0.900 16 L HN 0.175 nan 8.230 nan 0.000 0.435 17 L N -0.679 120.398 121.223 -0.243 0.000 2.187 17 L HA -0.261 4.079 4.340 0.001 0.000 0.213 17 L C 2.618 179.408 176.870 -0.134 0.000 1.100 17 L CA 1.463 56.180 54.840 -0.206 0.000 0.765 17 L CB -0.731 41.244 42.059 -0.140 0.000 0.904 17 L HN 0.566 nan 8.230 nan 0.000 0.437 18 H N 0.354 119.299 119.070 -0.210 0.000 2.293 18 H HA -0.164 4.393 4.556 0.001 0.000 0.300 18 H C 1.843 177.064 175.328 -0.178 0.000 1.082 18 H CA 1.703 57.656 56.048 -0.158 0.000 1.308 18 H CB 0.327 30.011 29.762 -0.130 0.000 1.375 18 H HN 0.346 nan 8.280 nan 0.000 0.495 19 N N 0.463 118.907 118.700 -0.426 0.000 2.289 19 N HA -0.113 4.627 4.740 0.001 0.000 0.184 19 N C 2.022 177.190 175.510 -0.570 0.000 1.016 19 N CA 0.852 53.530 53.050 -0.620 0.000 0.872 19 N CB -0.260 37.580 38.487 -1.078 0.000 0.973 19 N HN 0.210 nan 8.380 nan 0.000 0.433 20 V N 0.647 120.225 119.914 -0.560 0.000 2.453 20 V HA -0.094 4.027 4.120 0.001 0.000 0.247 20 V C 2.432 178.471 176.094 -0.092 0.000 1.048 20 V CA 1.257 63.371 62.300 -0.309 0.000 1.049 20 V CB -0.322 31.324 31.823 -0.294 0.000 0.672 20 V HN 0.195 nan 8.190 nan 0.000 0.457 21 R N -0.341 120.104 120.500 -0.092 0.000 2.093 21 R HA -0.057 4.284 4.340 0.001 0.000 0.224 21 R C 2.175 178.476 176.300 0.002 0.000 1.101 21 R CA 0.978 57.062 56.100 -0.027 0.000 0.979 21 R CB -0.193 30.104 30.300 -0.006 0.000 0.877 21 R HN 0.357 nan 8.270 nan 0.000 0.441 22 V N 0.635 120.540 119.914 -0.015 0.000 2.407 22 V HA -0.208 3.912 4.120 0.001 0.000 0.248 22 V C 2.248 178.389 176.094 0.079 0.000 1.055 22 V CA 1.989 64.290 62.300 0.002 0.000 1.049 22 V CB -0.438 31.335 31.823 -0.083 0.000 0.662 22 V HN 0.505 nan 8.190 nan 0.000 0.455 23 A N -0.408 122.504 122.820 0.153 0.000 1.970 23 A HA 0.123 4.444 4.320 0.001 0.000 0.216 23 A C 2.317 179.949 177.584 0.080 0.000 1.170 23 A CA 1.464 53.593 52.037 0.152 0.000 0.645 23 A CB -0.478 18.688 19.000 0.278 0.000 0.816 23 A HN 0.530 nan 8.150 nan 0.000 0.447 24 A N -0.423 122.435 122.820 0.063 0.000 2.067 24 A HA 0.359 4.680 4.320 0.001 0.000 0.217 24 A C 2.257 179.859 177.584 0.030 0.000 1.156 24 A CA 1.460 53.517 52.037 0.033 0.000 0.683 24 A CB -0.543 18.470 19.000 0.022 0.000 0.808 24 A HN 0.875 nan 8.150 nan 0.000 0.455 25 A N -1.599 121.243 122.820 0.037 0.000 2.072 25 A HA 0.048 4.369 4.320 0.001 0.000 0.216 25 A C 1.178 178.771 177.584 0.016 0.000 1.156 25 A CA 0.003 52.051 52.037 0.019 0.000 0.701 25 A CB -0.581 18.424 19.000 0.008 0.000 0.816 25 A HN 0.582 nan 8.150 nan 0.000 0.458 26 H N 1.242 120.281 119.070 -0.052 0.000 3.070 26 H HA 0.043 4.599 4.556 0.001 0.000 0.313 26 H C -1.465 173.812 175.328 -0.085 0.000 0.997 26 H CA -0.640 55.366 56.048 -0.070 0.000 1.438 26 H CB 1.167 30.878 29.762 -0.085 0.000 1.455 26 H HN 0.176 nan 8.280 nan 0.000 0.575 27 P HA -0.056 nan 4.420 nan 0.000 0.226 27 P C 0.808 178.076 177.300 -0.053 0.000 1.153 27 P CA 0.925 63.976 63.100 -0.080 0.000 0.777 27 P CB 0.261 31.889 31.700 -0.120 0.000 0.794 28 R N -0.590 119.953 120.500 0.072 0.000 2.280 28 R HA 0.176 4.516 4.340 0.001 0.000 0.195 28 R C 0.378 176.496 176.300 -0.304 0.000 0.935 28 R CA 0.043 56.110 56.100 -0.055 0.000 1.033 28 R CB 0.143 30.511 30.300 0.113 0.000 0.964 28 R HN 0.069 nan 8.270 nan 0.000 0.489 29 V N 1.882 121.663 119.914 -0.221 0.000 2.461 29 V HA 0.039 4.160 4.120 0.001 0.000 0.275 29 V C 0.752 176.616 176.094 -0.385 0.000 1.047 29 V CA -0.165 61.948 62.300 -0.312 0.000 0.955 29 V CB 1.266 32.990 31.823 -0.164 0.000 0.988 29 V HN 0.249 nan 8.190 nan 0.000 0.471 30 H N 2.691 121.511 119.070 -0.417 0.000 2.604 30 H HA 0.372 4.928 4.556 0.001 0.000 0.273 30 H C 0.610 175.648 175.328 -0.483 0.000 0.971 30 H CA 0.330 56.001 56.048 -0.629 0.000 1.249 30 H CB 1.077 29.973 29.762 -1.443 0.000 1.449 30 H HN 0.706 nan 8.280 nan 0.000 0.512 31 E N 0.130 120.158 120.200 -0.287 0.000 2.412 31 E HA 0.464 4.815 4.350 0.001 0.000 0.279 31 E C -1.665 174.926 176.600 -0.015 0.000 0.984 31 E CA -0.580 55.799 56.400 -0.035 0.000 0.788 31 E CB 2.665 32.485 29.700 0.200 0.000 1.277 31 E HN -0.187 nan 8.360 nan 0.000 0.455 32 V N 3.160 123.100 119.914 0.042 0.000 2.531 32 V HA 0.441 4.561 4.120 0.001 0.000 0.301 32 V C -0.945 175.171 176.094 0.037 0.000 1.034 32 V CA -0.774 61.551 62.300 0.041 0.000 0.865 32 V CB 1.512 33.382 31.823 0.078 0.000 0.995 32 V HN 0.563 nan 8.190 nan 0.000 0.424 33 L N 5.455 126.681 121.223 0.005 0.000 2.329 33 L HA 0.758 5.098 4.340 0.001 0.000 0.279 33 L C -0.672 176.221 176.870 0.039 0.000 1.014 33 L CA 0.186 54.994 54.840 -0.053 0.000 0.814 33 L CB 1.494 43.460 42.059 -0.155 0.000 1.257 33 L HN 0.765 nan 8.230 nan 0.000 0.424 34 C N 5.912 125.245 119.300 0.054 0.000 2.340 34 C HA 0.613 5.074 4.460 0.001 0.000 0.323 34 C C -0.027 175.129 174.990 0.276 0.000 1.260 34 C CA -0.937 58.205 59.018 0.207 0.000 1.464 34 C CB 0.242 28.023 27.740 0.068 0.000 2.156 34 C HN 0.676 nan 8.230 nan 0.000 0.476 35 I N 2.937 123.677 120.570 0.283 0.000 2.433 35 I HA 0.683 4.854 4.170 0.001 0.000 0.292 35 I C 0.573 176.494 176.117 -0.327 0.000 1.001 35 I CA 0.333 61.680 61.300 0.078 0.000 1.119 35 I CB 1.701 39.742 38.000 0.069 0.000 1.289 35 I HN 0.815 nan 8.210 nan 0.000 0.438 36 G N 3.197 111.768 108.800 -0.381 0.000 2.642 36 G HA2 0.263 4.224 3.960 0.001 0.000 0.293 36 G HA3 0.263 4.224 3.960 0.001 0.000 0.293 36 G C -0.599 174.220 174.900 -0.136 0.000 1.341 36 G CA -0.313 44.383 45.100 -0.673 0.000 0.916 36 G HN 0.522 nan 8.290 nan 0.000 0.474 37 Y N 0.365 120.514 120.300 -0.252 0.000 2.184 37 Y HA 0.131 4.681 4.550 0.001 0.000 0.290 37 Y C 1.235 177.053 175.900 -0.136 0.000 1.129 37 Y CA 1.803 59.807 58.100 -0.160 0.000 1.144 37 Y CB 0.331 38.694 38.460 -0.163 0.000 0.995 37 Y HN 0.628 nan 8.280 nan 0.000 0.513 38 E N -0.497 119.643 120.200 -0.100 0.000 2.369 38 E HA 0.319 4.670 4.350 0.001 0.000 0.270 38 E C -0.864 175.583 176.600 -0.255 0.000 0.909 38 E CA -1.148 55.137 56.400 -0.192 0.000 0.775 38 E CB 1.395 31.103 29.700 0.015 0.000 1.270 38 E HN 0.010 nan 8.360 nan 0.000 0.445 39 R N 2.107 122.387 120.500 -0.366 0.000 3.710 39 R HA 0.040 4.380 4.340 0.001 0.000 0.201 39 R C -0.739 175.541 176.300 -0.033 0.000 1.641 39 R CA -0.104 55.773 56.100 -0.371 0.000 1.390 39 R CB -0.459 29.622 30.300 -0.366 0.000 1.341 39 R HN 0.539 nan 8.270 nan 0.000 0.728 40 D N 0.148 120.621 120.400 0.120 0.000 2.539 40 D HA -0.014 4.627 4.640 0.001 0.000 0.276 40 D C 0.627 177.046 176.300 0.198 0.000 1.206 40 D CA -0.462 53.638 54.000 0.166 0.000 1.081 40 D CB 0.474 41.420 40.800 0.243 0.000 1.142 40 D HN 0.167 nan 8.370 nan 0.000 0.595 41 Q N -0.960 118.936 119.800 0.160 0.000 2.096 41 Q HA -0.115 4.225 4.340 0.001 0.000 0.204 41 Q C 1.963 178.056 176.000 0.154 0.000 0.982 41 Q CA 2.074 57.955 55.803 0.130 0.000 0.850 41 Q CB -0.378 28.412 28.738 0.088 0.000 0.901 41 Q HN 0.571 nan 8.270 nan 0.000 0.422 42 T N 0.018 114.695 114.554 0.204 0.000 2.833 42 T HA -0.193 4.157 4.350 0.001 0.000 0.269 42 T C 1.354 176.164 174.700 0.183 0.000 1.054 42 T CA 1.200 63.410 62.100 0.182 0.000 1.135 42 T CB -0.332 68.696 68.868 0.266 0.000 0.869 42 T HN 0.344 nan 8.240 nan 0.000 0.466 43 Y N 1.842 122.272 120.300 0.216 0.000 2.220 43 Y HA -0.002 4.548 4.550 0.001 0.000 0.291 43 Y C 2.283 178.237 175.900 0.091 0.000 1.129 43 Y CA 1.000 59.247 58.100 0.245 0.000 1.161 43 Y CB -0.088 38.547 38.460 0.291 0.000 0.997 43 Y HN 0.250 nan 8.280 nan 0.000 0.522 44 E N -0.300 120.086 120.200 0.310 0.000 2.268 44 E HA -0.134 4.216 4.350 0.001 0.000 0.195 44 E C 2.245 178.888 176.600 0.070 0.000 0.995 44 E CA 0.668 57.186 56.400 0.196 0.000 0.836 44 E CB -0.159 29.628 29.700 0.145 0.000 0.763 44 E HN 0.547 nan 8.360 nan 0.000 0.491 45 A N 1.179 124.016 122.820 0.027 0.000 1.873 45 A HA -0.118 4.203 4.320 0.001 0.000 0.215 45 A C 2.521 180.048 177.584 -0.095 0.000 1.186 45 A CA 1.019 53.037 52.037 -0.031 0.000 0.616 45 A CB -0.594 18.383 19.000 -0.039 0.000 0.823 45 A HN 0.105 nan 8.150 nan 0.000 0.442 46 V N -0.090 119.712 119.914 -0.187 0.000 2.407 46 V HA -0.251 3.869 4.120 0.001 0.000 0.248 46 V C 2.440 178.423 176.094 -0.184 0.000 1.055 46 V CA 2.292 64.430 62.300 -0.271 0.000 1.049 46 V CB -0.752 30.764 31.823 -0.511 0.000 0.662 46 V HN 0.709 nan 8.190 nan 0.000 0.455 47 E N -0.018 120.101 120.200 -0.135 0.000 2.150 47 E HA -0.216 4.134 4.350 0.001 0.000 0.193 47 E C 2.427 179.017 176.600 -0.017 0.000 0.985 47 E CA 0.928 57.298 56.400 -0.049 0.000 0.814 47 E CB -0.042 29.689 29.700 0.051 0.000 0.752 47 E HN 0.465 nan 8.360 nan 0.000 0.466 48 R N -0.447 120.044 120.500 -0.014 0.000 2.153 48 R HA 0.021 4.361 4.340 0.001 0.000 0.218 48 R C 1.799 178.087 176.300 -0.020 0.000 1.072 48 R CA 1.048 57.145 56.100 -0.006 0.000 0.990 48 R CB 0.017 30.318 30.300 0.002 0.000 0.889 48 R HN 0.119 nan 8.270 nan 0.000 0.452 49 A N 0.002 122.796 122.820 -0.043 0.000 2.132 49 A HA 0.213 4.533 4.320 0.001 0.000 0.213 49 A C 2.087 179.644 177.584 -0.045 0.000 1.154 49 A CA 0.742 52.750 52.037 -0.048 0.000 0.753 49 A CB -0.150 18.807 19.000 -0.072 0.000 0.826 49 A HN 0.434 nan 8.150 nan 0.000 0.469 50 A N 1.170 123.963 122.820 -0.046 0.000 1.902 50 A HA -0.033 4.287 4.320 0.001 0.000 0.217 50 A C 0.135 177.712 177.584 -0.013 0.000 1.181 50 A CA 1.851 53.865 52.037 -0.037 0.000 0.623 50 A CB -1.495 17.484 19.000 -0.035 0.000 0.818 50 A HN 0.448 nan 8.150 nan 0.000 0.443 51 P HA -0.130 nan 4.420 nan 0.000 0.218 51 P C 1.493 178.794 177.300 0.002 0.000 1.149 51 P CA 1.113 64.216 63.100 0.005 0.000 0.817 51 P CB 0.024 31.729 31.700 0.008 0.000 0.785 52 E N -0.064 120.132 120.200 -0.006 0.000 2.072 52 E HA -0.104 4.246 4.350 0.001 0.000 0.190 52 E C 1.959 178.554 176.600 -0.007 0.000 0.982 52 E CA 0.979 57.374 56.400 -0.007 0.000 0.803 52 E CB -0.502 29.190 29.700 -0.013 0.000 0.755 52 E HN 0.214 nan 8.360 nan 0.000 0.453 53 I N 0.701 121.263 120.570 -0.013 0.000 2.394 53 I HA -0.209 3.961 4.170 0.001 0.000 0.251 53 I C 2.310 178.427 176.117 0.001 0.000 1.136 53 I CA 0.665 61.958 61.300 -0.012 0.000 1.425 53 I CB -0.078 37.907 38.000 -0.025 0.000 1.079 53 I HN -0.044 nan 8.210 nan 0.000 0.425 54 S N 0.084 115.787 115.700 0.006 0.000 2.423 54 S HA -0.129 4.341 4.470 0.001 0.000 0.231 54 S C 2.030 176.642 174.600 0.020 0.000 1.014 54 S CA 0.976 59.187 58.200 0.019 0.000 0.965 54 S CB -0.192 63.023 63.200 0.026 0.000 0.785 54 S HN 0.372 nan 8.310 nan 0.000 0.495 55 R N 1.036 121.544 120.500 0.013 0.000 2.066 55 R HA 0.136 4.477 4.340 0.001 0.000 0.224 55 R C 2.394 178.700 176.300 0.011 0.000 1.122 55 R CA 1.031 57.139 56.100 0.013 0.000 0.974 55 R CB -0.385 29.921 30.300 0.010 0.000 0.871 55 R HN 0.347 nan 8.270 nan 0.000 0.435 56 A N -0.273 122.551 122.820 0.006 0.000 1.969 56 A HA -0.118 4.202 4.320 0.001 0.000 0.218 56 A C 1.950 179.537 177.584 0.005 0.000 1.169 56 A CA 1.889 53.928 52.037 0.004 0.000 0.635 56 A CB -0.445 18.555 19.000 -0.001 0.000 0.810 56 A HN 0.579 nan 8.150 nan 0.000 0.445 57 T N -5.645 108.914 114.554 0.008 0.000 3.001 57 T HA 0.414 4.765 4.350 0.001 0.000 0.251 57 T C 1.369 176.079 174.700 0.016 0.000 1.040 57 T CA 1.092 63.198 62.100 0.010 0.000 0.985 57 T CB 0.206 69.081 68.868 0.010 0.000 1.011 57 T HN 1.655 nan 8.240 nan 0.000 0.509 58 G N 1.302 110.115 108.800 0.021 0.000 2.153 58 G HA2 -0.220 3.740 3.960 0.001 0.000 0.252 58 G HA3 -0.220 3.740 3.960 0.001 0.000 0.252 58 G C 0.059 174.984 174.900 0.041 0.000 0.994 58 G CA 0.380 45.498 45.100 0.031 0.000 0.698 58 G HN 0.763 nan 8.290 nan 0.000 0.521 59 T N 2.573 117.149 114.554 0.036 0.000 2.792 59 T HA 0.584 4.934 4.350 0.001 0.000 0.280 59 T C -2.311 172.420 174.700 0.051 0.000 0.990 59 T CA -0.994 61.130 62.100 0.041 0.000 0.960 59 T CB 2.883 71.763 68.868 0.021 0.000 0.939 59 T HN 0.123 nan 8.240 nan 0.000 0.439 60 P HA 0.236 nan 4.420 nan 0.000 0.268 60 P C -0.937 176.409 177.300 0.076 0.000 1.205 60 P CA -0.299 62.855 63.100 0.090 0.000 0.771 60 P CB 0.641 32.425 31.700 0.140 0.000 0.858 61 V N 2.988 122.935 119.914 0.055 0.000 2.357 61 V HA 0.181 4.301 4.120 0.001 0.000 0.281 61 V C 0.185 176.290 176.094 0.018 0.000 1.015 61 V CA -0.264 62.054 62.300 0.030 0.000 0.827 61 V CB 1.290 33.114 31.823 0.002 0.000 1.018 61 V HN 0.506 nan 8.190 nan 0.000 0.432 62 S N 3.485 119.192 115.700 0.012 0.000 2.646 62 S HA 0.781 5.251 4.470 0.001 0.000 0.276 62 S C -0.312 174.249 174.600 -0.066 0.000 1.222 62 S CA -0.642 57.546 58.200 -0.021 0.000 1.014 62 S CB 2.048 65.220 63.200 -0.047 0.000 0.991 62 S HN 0.468 nan 8.310 nan 0.000 0.533 63 V N 2.854 122.737 119.914 -0.052 0.000 2.524 63 V HA 0.529 4.650 4.120 0.001 0.000 0.297 63 V C -0.399 175.727 176.094 0.053 0.000 1.035 63 V CA -0.826 61.435 62.300 -0.064 0.000 0.867 63 V CB 1.355 33.061 31.823 -0.195 0.000 1.004 63 V HN 0.725 nan 8.190 nan 0.000 0.426 64 R N 3.295 123.846 120.500 0.085 0.000 2.854 64 R HA 0.642 4.983 4.340 0.001 0.000 0.271 64 R C -1.236 175.220 176.300 0.260 0.000 0.996 64 R CA -1.015 55.175 56.100 0.150 0.000 0.961 64 R CB 2.310 32.620 30.300 0.016 0.000 1.182 64 R HN 0.377 nan 8.270 nan 0.000 0.479 65 L N 1.677 123.008 121.223 0.179 0.000 2.418 65 L HA 0.224 4.565 4.340 0.001 0.000 0.265 65 L C 0.756 177.644 176.870 0.030 0.000 1.143 65 L CA 0.045 54.926 54.840 0.067 0.000 0.809 65 L CB 0.586 42.603 42.059 -0.071 0.000 1.124 65 L HN 0.533 nan 8.230 nan 0.000 0.456 66 Q N 1.785 121.580 119.800 -0.008 0.000 2.286 66 Q HA 0.055 4.395 4.340 0.001 0.000 0.267 66 Q C -0.597 175.405 176.000 0.004 0.000 1.028 66 Q CA -0.096 55.720 55.803 0.022 0.000 0.901 66 Q CB 0.700 29.483 28.738 0.075 0.000 1.183 66 Q HN 0.484 nan 8.270 nan 0.000 0.392 67 E N 2.625 122.850 120.200 0.042 0.000 2.248 67 E HA 0.189 4.539 4.350 0.001 0.000 0.272 67 E C -1.151 175.485 176.600 0.059 0.000 1.008 67 E CA -0.716 55.708 56.400 0.041 0.000 0.856 67 E CB 0.944 30.682 29.700 0.063 0.000 1.120 67 E HN 0.522 nan 8.360 nan 0.000 0.397 68 R N 4.257 124.786 120.500 0.047 0.000 2.429 68 R HA 0.177 4.517 4.340 0.001 0.000 0.302 68 R C -0.167 176.165 176.300 0.054 0.000 1.268 68 R CA 0.389 56.519 56.100 0.051 0.000 1.090 68 R CB -0.497 29.826 30.300 0.040 0.000 1.102 68 R HN 0.682 nan 8.270 nan 0.000 0.522 69 L N 2.226 123.489 121.223 0.068 0.000 2.556 69 L HA 0.404 4.745 4.340 0.001 0.000 0.226 69 L C 1.234 178.130 176.870 0.043 0.000 1.089 69 L CA 0.109 54.995 54.840 0.076 0.000 0.864 69 L CB 0.410 42.554 42.059 0.141 0.000 1.067 69 L HN 0.685 nan 8.230 nan 0.000 0.477 70 G N -0.527 108.291 108.800 0.030 0.000 2.887 70 G HA2 0.439 4.399 3.960 0.001 0.000 0.277 70 G HA3 0.439 4.399 3.960 0.001 0.000 0.277 70 G C 0.328 175.229 174.900 0.001 0.000 1.346 70 G CA 0.433 45.538 45.100 0.009 0.000 1.058 70 G HN 0.041 nan 8.290 nan 0.000 0.535 71 T N -2.016 112.533 114.554 -0.008 0.000 3.111 71 T HA 0.391 4.742 4.350 0.001 0.000 0.284 71 T C 0.408 175.099 174.700 -0.014 0.000 0.983 71 T CA -0.195 61.899 62.100 -0.009 0.000 0.900 71 T CB 0.066 68.928 68.868 -0.010 0.000 1.132 71 T HN 0.134 nan 8.240 nan 0.000 0.531 72 L N 1.271 122.481 121.223 -0.020 0.000 2.874 72 L HA 0.557 4.897 4.340 0.001 0.000 0.229 72 L C 0.882 177.732 176.870 -0.033 0.000 1.200 72 L CA -1.364 53.462 54.840 -0.024 0.000 0.976 72 L CB 0.180 42.223 42.059 -0.026 0.000 1.887 72 L HN 0.153 nan 8.230 nan 0.000 0.543 73 R N 1.995 122.470 120.500 -0.042 0.000 2.538 73 R HA 0.049 4.390 4.340 0.001 0.000 0.282 73 R C -2.199 174.044 176.300 -0.094 0.000 1.009 73 R CA -1.033 55.028 56.100 -0.065 0.000 1.063 73 R CB 0.163 30.420 30.300 -0.071 0.000 0.945 73 R HN 0.258 nan 8.270 nan 0.000 0.414 74 P HA 0.122 nan 4.420 nan 0.000 0.273 74 P C -0.679 176.493 177.300 -0.214 0.000 1.319 74 P CA 0.110 63.154 63.100 -0.095 0.000 0.885 74 P CB 1.237 32.930 31.700 -0.012 0.000 1.015 75 G N 2.920 111.580 108.800 -0.234 0.000 3.003 75 G HA2 0.185 4.145 3.960 0.001 0.000 0.243 75 G HA3 0.185 4.145 3.960 0.001 0.000 0.243 75 G C 0.626 175.311 174.900 -0.358 0.000 1.176 75 G CA -0.408 44.462 45.100 -0.384 0.000 0.812 75 G HN 0.284 nan 8.290 nan 0.000 0.584 76 K N -0.404 119.680 120.400 -0.526 0.000 2.063 76 K HA -0.039 4.281 4.320 0.001 0.000 0.208 76 K C 2.337 178.802 176.600 -0.226 0.000 1.048 76 K CA 2.171 58.218 56.287 -0.400 0.000 0.928 76 K CB -0.867 31.324 32.500 -0.515 0.000 0.713 76 K HN 0.432 nan 8.250 nan 0.000 0.442 77 G N 1.163 109.831 108.800 -0.220 0.000 2.476 77 G HA2 -0.308 3.653 3.960 0.001 0.000 0.218 77 G HA3 -0.308 3.653 3.960 0.001 0.000 0.218 77 G C 1.108 175.973 174.900 -0.057 0.000 1.164 77 G CA 1.308 46.315 45.100 -0.154 0.000 0.768 77 G HN 0.354 nan 8.290 nan 0.000 0.560 78 D N 0.524 120.896 120.400 -0.046 0.000 2.123 78 D HA -0.086 4.554 4.640 0.001 0.000 0.196 78 D C 2.673 179.004 176.300 0.051 0.000 0.992 78 D CA 1.376 55.389 54.000 0.021 0.000 0.833 78 D CB -0.784 40.030 40.800 0.024 0.000 0.954 78 D HN 0.314 nan 8.370 nan 0.000 0.455 79 G N 0.211 109.020 108.800 0.014 0.000 2.418 79 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 79 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 79 G C 1.667 176.641 174.900 0.124 0.000 1.158 79 G CA 0.518 45.647 45.100 0.048 0.000 0.771 79 G HN 0.221 nan 8.290 nan 0.000 0.545 80 M N 0.114 119.771 119.600 0.096 0.000 2.236 80 M HA 0.022 4.503 4.480 0.001 0.000 0.266 80 M C 2.250 178.719 176.300 0.282 0.000 1.070 80 M CA 0.970 56.361 55.300 0.152 0.000 1.137 80 M CB -0.272 32.261 32.600 -0.112 0.000 1.378 80 M HN 0.258 nan 8.290 nan 0.000 0.426 81 N N -0.632 118.210 118.700 0.236 0.000 2.396 81 N HA -0.079 4.661 4.740 0.001 0.000 0.180 81 N C 1.359 177.008 175.510 0.232 0.000 1.028 81 N CA 1.104 54.337 53.050 0.305 0.000 0.893 81 N CB 0.085 38.764 38.487 0.319 0.000 0.967 81 N HN 0.236 nan 8.380 nan 0.000 0.440 82 T N 0.198 114.868 114.554 0.193 0.000 2.904 82 T HA -0.020 4.330 4.350 0.001 0.000 0.267 82 T C 2.001 176.799 174.700 0.163 0.000 1.059 82 T CA 1.002 63.195 62.100 0.155 0.000 1.137 82 T CB -0.107 68.839 68.868 0.131 0.000 0.879 82 T HN 0.299 nan 8.240 nan 0.000 0.467 83 A N 1.002 123.955 122.820 0.222 0.000 1.929 83 A HA 0.086 4.406 4.320 0.001 0.000 0.216 83 A C 2.104 179.835 177.584 0.246 0.000 1.176 83 A CA 0.877 53.054 52.037 0.232 0.000 0.628 83 A CB -0.599 18.546 19.000 0.241 0.000 0.816 83 A HN 0.327 nan 8.150 nan 0.000 0.444 84 L N -0.063 121.302 121.223 0.236 0.000 2.046 84 L HA -0.122 4.218 4.340 0.001 0.000 0.208 84 L C 2.507 179.291 176.870 -0.143 0.000 1.077 84 L CA 2.220 57.143 54.840 0.138 0.000 0.747 84 L CB -0.939 41.188 42.059 0.114 0.000 0.896 84 L HN 0.576 nan 8.230 nan 0.000 0.432 85 R N -1.423 118.856 120.500 -0.369 0.000 2.070 85 R HA -0.268 4.072 4.340 0.001 0.000 0.233 85 R C 2.456 178.690 176.300 -0.110 0.000 1.137 85 R CA 1.859 57.669 56.100 -0.483 0.000 0.945 85 R CB -0.923 29.225 30.300 -0.253 0.000 0.845 85 R HN 0.334 nan 8.270 nan 0.000 0.430 86 Y N 0.161 120.438 120.300 -0.039 0.000 2.165 86 Y HA -0.269 4.281 4.550 0.000 0.000 0.286 86 Y C 1.896 177.838 175.900 0.070 0.000 1.155 86 Y CA 2.131 60.251 58.100 0.033 0.000 1.164 86 Y CB -0.526 37.982 38.460 0.079 0.000 0.978 86 Y HN 0.250 nan 8.280 nan 0.000 0.513 87 F N 0.042 120.017 119.950 0.043 0.000 2.171 87 F HA -0.164 4.363 4.527 0.001 0.000 0.300 87 F C 1.560 177.298 175.800 -0.103 0.000 1.090 87 F CA 1.625 59.635 58.000 0.017 0.000 1.293 87 F CB -0.468 38.573 39.000 0.068 0.000 1.013 87 F HN 0.078 nan 8.300 nan 0.000 0.486 88 L N -0.703 120.347 121.223 -0.288 0.000 2.298 88 L HA 0.041 4.381 4.340 0.001 0.000 0.209 88 L C 2.016 178.712 176.870 -0.290 0.000 1.084 88 L CA 0.856 55.474 54.840 -0.371 0.000 0.816 88 L CB -0.332 41.605 42.059 -0.202 0.000 0.967 88 L HN 0.046 nan 8.230 nan 0.000 0.460 89 E N -0.527 119.524 120.200 -0.247 0.000 2.340 89 E HA -0.031 4.320 4.350 0.001 0.000 0.198 89 E C 1.338 177.784 176.600 -0.258 0.000 0.961 89 E CA 0.264 56.546 56.400 -0.197 0.000 0.905 89 E CB 0.508 30.141 29.700 -0.111 0.000 0.884 89 E HN 0.380 nan 8.360 nan 0.000 0.491 90 E N 0.171 120.131 120.200 -0.401 0.000 2.473 90 E HA 0.023 4.374 4.350 0.001 0.000 0.204 90 E C 0.486 176.777 176.600 -0.517 0.000 0.994 90 E CA 0.332 56.438 56.400 -0.490 0.000 0.945 90 E CB 1.012 30.269 29.700 -0.739 0.000 0.990 90 E HN 0.099 nan 8.360 nan 0.000 0.493 91 T N -2.596 111.640 114.554 -0.531 0.000 2.773 91 T HA 0.418 4.768 4.350 0.001 0.000 0.278 91 T C -0.044 174.268 174.700 -0.646 0.000 1.011 91 T CA -0.734 61.019 62.100 -0.580 0.000 1.014 91 T CB 1.807 70.398 68.868 -0.462 0.000 1.293 91 T HN -0.144 nan 8.240 nan 0.000 0.554 92 Q N -0.724 118.535 119.800 -0.902 0.000 2.074 92 Q HA 0.334 4.674 4.340 0.001 0.000 0.265 92 Q C -1.749 173.967 176.000 -0.474 0.000 0.855 92 Q CA -0.528 54.893 55.803 -0.637 0.000 1.083 92 Q CB 0.270 28.706 28.738 -0.503 0.000 1.260 92 Q HN 0.722 nan 8.270 nan 0.000 0.427 93 W N 0.173 121.462 121.300 -0.017 0.000 2.237 93 W HA 0.296 4.956 4.660 0.000 0.000 0.335 93 W C 1.333 177.971 176.519 0.199 0.000 1.230 93 W CA -0.820 56.625 57.345 0.167 0.000 1.253 93 W CB 0.838 30.511 29.460 0.354 0.000 1.129 93 W HN 0.109 nan 8.180 nan 0.000 0.590 94 E N 0.916 121.398 120.200 0.472 0.000 2.208 94 E HA 0.004 4.354 4.350 0.001 0.000 0.193 94 E C 0.246 177.083 176.600 0.395 0.000 0.988 94 E CA 0.867 57.462 56.400 0.325 0.000 0.828 94 E CB 0.097 29.938 29.700 0.234 0.000 0.763 94 E HN 0.363 nan 8.360 nan 0.000 0.478 95 R N -0.679 120.087 120.500 0.444 0.000 2.837 95 R HA 0.626 4.966 4.340 0.001 0.000 0.271 95 R C -0.771 175.525 176.300 -0.007 0.000 0.993 95 R CA -0.678 55.557 56.100 0.224 0.000 0.931 95 R CB 2.444 32.813 30.300 0.115 0.000 1.206 95 R HN -0.033 nan 8.270 nan 0.000 0.474 96 I N 0.841 121.174 120.570 -0.395 0.000 2.619 96 I HA 0.402 4.572 4.170 0.001 0.000 0.292 96 I C -0.886 174.949 176.117 -0.471 0.000 1.100 96 I CA -0.594 60.302 61.300 -0.673 0.000 1.043 96 I CB 1.711 38.863 38.000 -1.413 0.000 1.239 96 I HN 0.635 nan 8.210 nan 0.000 0.420 97 H N 5.927 124.692 119.070 -0.507 0.000 2.595 97 H HA 0.513 5.069 4.556 0.001 0.000 0.346 97 H C -1.586 173.294 175.328 -0.747 0.000 1.181 97 H CA -0.438 55.324 56.048 -0.475 0.000 1.242 97 H CB 2.208 31.784 29.762 -0.310 0.000 1.652 97 H HN 0.380 nan 8.280 nan 0.000 0.548 98 F N 1.070 120.751 119.950 -0.449 0.000 2.573 98 F HA 0.279 4.806 4.527 0.001 0.000 0.316 98 F C -1.216 174.255 175.800 -0.548 0.000 1.148 98 F CA -0.559 57.225 58.000 -0.361 0.000 0.940 98 F CB 1.261 40.169 39.000 -0.153 0.000 1.214 98 F HN 0.363 nan 8.300 nan 0.000 0.448 99 Y N 1.256 121.604 120.300 0.080 0.000 2.433 99 Y HA 0.324 4.875 4.550 0.000 0.000 0.337 99 Y C -0.372 175.631 175.900 0.171 0.000 1.026 99 Y CA -1.579 56.581 58.100 0.100 0.000 1.037 99 Y CB 1.403 39.752 38.460 -0.185 0.000 1.245 99 Y HN 0.436 nan 8.280 nan 0.000 0.443 100 D N 1.189 121.824 120.400 0.392 0.000 2.423 100 D HA 0.270 4.911 4.640 0.001 0.000 0.238 100 D C 0.867 177.335 176.300 0.280 0.000 1.142 100 D CA 0.586 54.771 54.000 0.308 0.000 0.884 100 D CB 1.419 42.376 40.800 0.262 0.000 1.199 100 D HN 0.724 nan 8.370 nan 0.000 0.438 101 A N 2.578 125.543 122.820 0.243 0.000 1.897 101 A HA -0.155 4.165 4.320 0.001 0.000 0.215 101 A C 1.613 179.194 177.584 -0.006 0.000 1.181 101 A CA 1.365 53.467 52.037 0.108 0.000 0.620 101 A CB -0.333 18.748 19.000 0.134 0.000 0.821 101 A HN 0.683 nan 8.150 nan 0.000 0.443 102 D N 1.120 121.552 120.400 0.055 0.000 2.310 102 D HA -0.109 4.531 4.640 0.001 0.000 0.212 102 D C 1.063 177.373 176.300 0.016 0.000 0.965 102 D CA 0.530 54.556 54.000 0.043 0.000 0.879 102 D CB -1.227 39.620 40.800 0.078 0.000 0.921 102 D HN 0.679 nan 8.370 nan 0.000 0.510 103 I N 0.607 121.175 120.570 -0.002 0.000 2.978 103 I HA -0.033 4.137 4.170 0.001 0.000 0.293 103 I C 0.676 176.753 176.117 -0.068 0.000 1.218 103 I CA 0.579 61.858 61.300 -0.036 0.000 1.393 103 I CB -0.013 37.951 38.000 -0.061 0.000 1.394 103 I HN -0.137 nan 8.210 nan 0.000 0.541 104 T N 0.265 114.807 114.554 -0.021 0.000 3.144 104 T HA 0.105 4.456 4.350 0.001 0.000 0.249 104 T C 1.167 175.875 174.700 0.014 0.000 1.089 104 T CA 0.257 62.359 62.100 0.004 0.000 0.989 104 T CB 0.182 69.058 68.868 0.013 0.000 0.992 104 T HN 0.674 nan 8.240 nan 0.000 0.540 105 S N 0.239 115.939 115.700 -0.000 0.000 2.540 105 S HA 0.373 4.843 4.470 0.001 0.000 0.218 105 S C -0.001 174.564 174.600 -0.059 0.000 0.977 105 S CA -0.830 57.411 58.200 0.068 0.000 0.918 105 S CB -0.338 62.996 63.200 0.224 0.000 0.806 105 S HN 0.623 nan 8.310 nan 0.000 0.496 106 F N 2.656 122.239 119.950 -0.612 0.000 2.571 106 F HA 0.464 4.992 4.527 0.000 0.000 0.384 106 F C 0.828 176.228 175.800 -0.666 0.000 1.058 106 F CA -0.047 57.240 58.000 -1.189 0.000 1.200 106 F CB 0.044 38.426 39.000 -1.029 0.000 1.077 106 F HN 0.081 nan 8.300 nan 0.000 0.558 107 G N 5.991 114.247 108.800 -0.907 0.000 3.013 107 G HA2 0.431 4.391 3.960 0.001 0.000 0.278 107 G HA3 0.431 4.391 3.960 0.001 0.000 0.278 107 G C -2.370 172.121 174.900 -0.682 0.000 1.353 107 G CA -1.068 43.712 45.100 -0.533 0.000 1.043 107 G HN 0.351 nan 8.290 nan 0.000 0.523 108 P HA -0.005 nan 4.420 nan 0.000 0.223 108 P C 0.689 177.970 177.300 -0.032 0.000 1.151 108 P CA 0.688 63.697 63.100 -0.151 0.000 0.787 108 P CB 0.428 32.131 31.700 0.005 0.000 0.788 109 D N -1.061 119.343 120.400 0.007 0.000 2.263 109 D HA -0.134 4.507 4.640 0.001 0.000 0.208 109 D C 1.571 177.928 176.300 0.095 0.000 0.971 109 D CA 0.792 54.840 54.000 0.081 0.000 0.867 109 D CB -0.346 40.504 40.800 0.082 0.000 0.929 109 D HN 0.159 nan 8.370 nan 0.000 0.492 110 W N 0.821 121.928 121.300 -0.321 0.000 2.379 110 W HA 0.031 4.691 4.660 0.001 0.000 0.307 110 W C 2.365 178.848 176.519 -0.060 0.000 1.200 110 W CA 0.215 57.373 57.345 -0.312 0.000 1.297 110 W CB -0.805 28.310 29.460 -0.575 0.000 1.140 110 W HN -0.039 nan 8.180 nan 0.000 0.507 111 I N -0.629 119.984 120.570 0.072 0.000 2.761 111 I HA -0.190 3.981 4.170 0.001 0.000 0.261 111 I C 2.022 178.173 176.117 0.055 0.000 1.198 111 I CA 1.125 62.441 61.300 0.026 0.000 1.482 111 I CB -0.507 37.174 38.000 -0.531 0.000 1.100 111 I HN -0.112 nan 8.210 nan 0.000 0.445 112 T N 0.368 115.003 114.554 0.134 0.000 2.809 112 T HA -0.091 4.260 4.350 0.001 0.000 0.260 112 T C 1.881 176.687 174.700 0.176 0.000 1.039 112 T CA 1.036 63.267 62.100 0.219 0.000 1.141 112 T CB -0.041 68.964 68.868 0.229 0.000 0.869 112 T HN 0.249 nan 8.240 nan 0.000 0.437 113 K N 1.196 121.698 120.400 0.170 0.000 2.211 113 K HA 0.156 4.476 4.320 0.001 0.000 0.203 113 K C 2.504 179.231 176.600 0.211 0.000 1.050 113 K CA 0.904 57.293 56.287 0.170 0.000 0.945 113 K CB -0.120 32.469 32.500 0.147 0.000 0.732 113 K HN 0.251 nan 8.250 nan 0.000 0.451 114 A N 1.416 124.415 122.820 0.298 0.000 1.930 114 A HA -0.107 4.214 4.320 0.001 0.000 0.215 114 A C 1.826 179.508 177.584 0.164 0.000 1.176 114 A CA 1.065 53.266 52.037 0.273 0.000 0.632 114 A CB -0.058 19.193 19.000 0.419 0.000 0.819 114 A HN 0.132 nan 8.150 nan 0.000 0.445 115 E N -0.039 120.276 120.200 0.191 0.000 2.158 115 E HA -0.111 4.239 4.350 0.001 0.000 0.191 115 E C 1.748 178.407 176.600 0.100 0.000 0.982 115 E CA 0.776 57.262 56.400 0.143 0.000 0.823 115 E CB -0.159 29.638 29.700 0.161 0.000 0.766 115 E HN 0.725 nan 8.360 nan 0.000 0.468 116 E N 0.884 121.141 120.200 0.095 0.000 2.106 116 E HA -0.108 4.242 4.350 0.001 0.000 0.192 116 E C 2.040 178.680 176.600 0.066 0.000 0.984 116 E CA 0.810 57.240 56.400 0.051 0.000 0.806 116 E CB -0.003 29.730 29.700 0.055 0.000 0.750 116 E HN 0.141 nan 8.360 nan 0.000 0.458 117 A N 1.388 124.252 122.820 0.073 0.000 1.930 117 A HA -0.045 4.275 4.320 0.001 0.000 0.217 117 A C 2.328 180.046 177.584 0.223 0.000 1.175 117 A CA 1.469 53.526 52.037 0.034 0.000 0.627 117 A CB -0.419 18.444 19.000 -0.229 0.000 0.815 117 A HN 0.270 nan 8.150 nan 0.000 0.443 118 A N -0.289 122.624 122.820 0.155 0.000 2.168 118 A HA -0.049 4.272 4.320 0.001 0.000 0.215 118 A C 1.527 179.187 177.584 0.127 0.000 1.152 118 A CA 1.503 53.640 52.037 0.166 0.000 0.716 118 A CB -0.401 18.656 19.000 0.095 0.000 0.794 118 A HN 0.460 nan 8.150 nan 0.000 0.465 119 D N -0.279 120.172 120.400 0.085 0.000 2.084 119 D HA -0.112 4.529 4.640 0.001 0.000 0.196 119 D C 1.452 177.744 176.300 -0.013 0.000 0.985 119 D CA 0.944 54.945 54.000 0.001 0.000 0.826 119 D CB -0.610 40.141 40.800 -0.082 0.000 0.978 119 D HN 0.498 nan 8.370 nan 0.000 0.456 120 F N 0.563 120.492 119.950 -0.035 0.000 2.158 120 F HA -0.254 4.274 4.527 0.001 0.000 0.299 120 F C 1.964 177.628 175.800 -0.227 0.000 1.060 120 F CA 1.591 59.527 58.000 -0.108 0.000 1.284 120 F CB -0.066 38.893 39.000 -0.068 0.000 1.035 120 F HN 0.233 nan 8.300 nan 0.000 0.496 121 G N -2.524 106.274 108.800 -0.004 0.000 2.183 121 G HA2 -0.227 3.733 3.960 0.001 0.000 0.168 121 G HA3 -0.227 3.733 3.960 0.001 0.000 0.168 121 G C -0.135 174.702 174.900 -0.105 0.000 1.008 121 G CA -0.589 44.466 45.100 -0.074 0.000 0.677 121 G HN 0.259 nan 8.290 nan 0.000 0.498 122 Y N 0.439 120.786 120.300 0.078 0.000 2.480 122 Y HA 0.359 4.909 4.550 0.001 0.000 0.338 122 Y C 1.873 177.795 175.900 0.036 0.000 1.220 122 Y CA 1.135 59.271 58.100 0.059 0.000 1.430 122 Y CB 1.202 39.709 38.460 0.079 0.000 1.311 122 Y HN 0.066 nan 8.280 nan 0.000 0.575 123 G N 2.653 111.561 108.800 0.180 0.000 2.603 123 G HA2 0.083 4.044 3.960 0.001 0.000 0.214 123 G HA3 0.083 4.044 3.960 0.001 0.000 0.214 123 G C -0.026 174.912 174.900 0.064 0.000 1.140 123 G CA 0.070 45.226 45.100 0.094 0.000 0.800 123 G HN 0.451 nan 8.290 nan 0.000 0.533 124 L N 1.061 122.330 121.223 0.077 0.000 2.401 124 L HA 0.632 4.973 4.340 0.001 0.000 0.266 124 L C -1.478 175.400 176.870 0.012 0.000 0.991 124 L CA -0.692 54.155 54.840 0.012 0.000 0.818 124 L CB 2.712 44.759 42.059 -0.021 0.000 1.321 124 L HN -0.188 nan 8.230 nan 0.000 0.413 125 V N 4.486 124.369 119.914 -0.052 0.000 2.482 125 V HA 0.503 4.624 4.120 0.001 0.000 0.295 125 V C -0.451 175.531 176.094 -0.187 0.000 1.026 125 V CA -0.667 61.584 62.300 -0.082 0.000 0.856 125 V CB 2.039 33.810 31.823 -0.086 0.000 1.001 125 V HN 0.729 nan 8.190 nan 0.000 0.424 126 R N 3.450 123.862 120.500 -0.147 0.000 2.460 126 R HA 0.605 4.945 4.340 0.001 0.000 0.303 126 R C -0.852 175.350 176.300 -0.163 0.000 0.968 126 R CA -0.876 55.137 56.100 -0.145 0.000 0.889 126 R CB 1.447 31.724 30.300 -0.039 0.000 1.123 126 R HN 0.658 nan 8.270 nan 0.000 0.455 127 H N 2.881 121.967 119.070 0.028 0.000 2.527 127 H HA 0.143 4.699 4.556 0.001 0.000 0.321 127 H C -0.512 174.618 175.328 -0.329 0.000 1.087 127 H CA -0.203 55.744 56.048 -0.169 0.000 1.337 127 H CB 0.929 30.552 29.762 -0.232 0.000 1.440 127 H HN 0.573 nan 8.280 nan 0.000 0.490 128 Y N 1.242 121.266 120.300 -0.459 0.000 2.562 128 Y HA 0.674 5.224 4.550 0.001 0.000 0.343 128 Y C -1.676 173.809 175.900 -0.691 0.000 1.025 128 Y CA -1.735 56.078 58.100 -0.478 0.000 1.082 128 Y CB 0.982 39.429 38.460 -0.022 0.000 1.264 128 Y HN 0.251 nan 8.280 nan 0.000 0.478 129 F N 0.805 120.832 119.950 0.128 0.000 2.620 129 F HA 0.701 5.228 4.527 0.001 0.000 0.320 129 F C -2.500 173.462 175.800 0.270 0.000 1.069 129 F CA -2.661 55.315 58.000 -0.040 0.000 0.953 129 F CB 1.652 40.669 39.000 0.028 0.000 1.322 129 F HN 0.324 nan 8.300 nan 0.000 0.479 130 P HA 0.334 nan 4.420 nan 0.000 0.271 130 P C -1.124 176.426 177.300 0.417 0.000 1.216 130 P CA -0.167 63.206 63.100 0.454 0.000 0.771 130 P CB 1.000 32.899 31.700 0.331 0.000 0.864 131 R N 1.164 121.932 120.500 0.447 0.000 2.836 131 R HA 0.737 5.077 4.340 0.001 0.000 0.269 131 R C -0.402 176.145 176.300 0.411 0.000 1.010 131 R CA -1.050 55.288 56.100 0.396 0.000 0.930 131 R CB 1.877 32.417 30.300 0.400 0.000 1.218 131 R HN 0.482 nan 8.270 nan 0.000 0.473 132 A N 0.416 123.411 122.820 0.292 0.000 2.304 132 A HA 0.216 4.537 4.320 0.001 0.000 0.271 132 A C 1.243 179.036 177.584 0.349 0.000 1.091 132 A CA 0.070 52.278 52.037 0.284 0.000 0.812 132 A CB 0.558 19.615 19.000 0.095 0.000 1.056 132 A HN 0.912 nan 8.150 nan 0.000 0.489 133 S N 0.239 116.159 115.700 0.367 0.000 2.402 133 S HA -0.201 4.270 4.470 0.001 0.000 0.233 133 S C 1.187 175.965 174.600 0.296 0.000 1.030 133 S CA 2.144 60.488 58.200 0.241 0.000 1.003 133 S CB -0.906 62.384 63.200 0.150 0.000 0.813 133 S HN 1.207 nan 8.310 nan 0.000 0.477 134 T N -1.537 113.174 114.554 0.261 0.000 3.092 134 T HA 0.312 4.662 4.350 0.001 0.000 0.258 134 T C -0.045 174.819 174.700 0.274 0.000 1.031 134 T CA -0.540 61.746 62.100 0.310 0.000 0.925 134 T CB -0.006 69.043 68.868 0.301 0.000 1.036 134 T HN 0.233 nan 8.240 nan 0.000 0.544 135 D N 1.295 121.838 120.400 0.240 0.000 2.432 135 D HA 0.558 5.199 4.640 0.001 0.000 0.258 135 D C 0.844 177.301 176.300 0.260 0.000 1.146 135 D CA 0.212 54.351 54.000 0.232 0.000 1.015 135 D CB 1.255 42.191 40.800 0.227 0.000 1.107 135 D HN 0.231 nan 8.370 nan 0.000 0.529 136 A N 0.489 123.461 122.820 0.253 0.000 2.872 136 A HA -0.200 4.121 4.320 0.001 0.000 0.273 136 A C 1.323 179.094 177.584 0.313 0.000 1.442 136 A CA 0.688 52.894 52.037 0.282 0.000 0.801 136 A CB -1.675 17.560 19.000 0.391 0.000 1.031 136 A HN 0.418 nan 8.150 nan 0.000 0.582 137 M N -1.172 118.582 119.600 0.256 0.000 2.419 137 M HA 0.097 4.577 4.480 0.001 0.000 0.264 137 M C 1.982 178.559 176.300 0.461 0.000 1.082 137 M CA 1.391 56.834 55.300 0.240 0.000 1.119 137 M CB -0.825 31.807 32.600 0.053 0.000 1.398 137 M HN 0.705 nan 8.290 nan 0.000 0.453 138 I N -0.557 120.221 120.570 0.347 0.000 2.206 138 I HA -0.212 3.959 4.170 0.001 0.000 0.239 138 I C 2.244 178.412 176.117 0.085 0.000 1.078 138 I CA 1.092 62.469 61.300 0.128 0.000 1.367 138 I CB -0.934 36.997 38.000 -0.115 0.000 1.078 138 I HN 0.187 nan 8.210 nan 0.000 0.413 139 T N 0.292 114.863 114.554 0.028 0.000 2.635 139 T HA -0.286 4.064 4.350 0.001 0.000 0.265 139 T C 1.417 176.052 174.700 -0.108 0.000 1.058 139 T CA 2.398 64.443 62.100 -0.092 0.000 1.162 139 T CB -0.504 68.275 68.868 -0.149 0.000 0.859 139 T HN 0.396 nan 8.240 nan 0.000 0.449 140 W N 0.251 121.560 121.300 0.016 0.000 2.488 140 W HA 0.193 4.854 4.660 0.001 0.000 0.304 140 W C 2.385 178.939 176.519 0.058 0.000 1.175 140 W CA 0.170 57.499 57.345 -0.026 0.000 1.365 140 W CB -0.130 29.248 29.460 -0.136 0.000 1.131 140 W HN 0.102 nan 8.180 nan 0.000 0.520 141 M N -0.660 119.147 119.600 0.345 0.000 2.556 141 M HA 0.148 4.628 4.480 0.001 0.000 0.245 141 M C 1.252 177.976 176.300 0.706 0.000 1.128 141 M CA 1.191 56.761 55.300 0.450 0.000 1.069 141 M CB -0.650 32.026 32.600 0.126 0.000 1.469 141 M HN 0.178 nan 8.290 nan 0.000 0.494 142 I N -1.230 119.606 120.570 0.445 0.000 3.650 142 I HA -0.036 4.134 4.170 0.001 0.000 0.261 142 I C 1.930 178.136 176.117 0.149 0.000 1.154 142 I CA 0.522 62.077 61.300 0.424 0.000 1.418 142 I CB 0.083 38.223 38.000 0.233 0.000 1.539 142 I HN 0.073 nan 8.210 nan 0.000 0.449 143 T N 1.130 115.643 114.554 -0.069 0.000 2.668 143 T HA -0.061 4.290 4.350 0.001 0.000 0.258 143 T C 1.950 176.311 174.700 -0.564 0.000 1.051 143 T CA 1.171 63.036 62.100 -0.393 0.000 1.155 143 T CB -0.256 68.406 68.868 -0.342 0.000 0.864 143 T HN 0.163 nan 8.240 nan 0.000 0.413 144 R N 0.671 121.001 120.500 -0.282 0.000 2.075 144 R HA -0.024 4.316 4.340 0.001 0.000 0.232 144 R C 2.800 179.089 176.300 -0.019 0.000 1.126 144 R CA 1.476 57.496 56.100 -0.133 0.000 0.963 144 R CB -0.845 29.325 30.300 -0.216 0.000 0.858 144 R HN 0.294 nan 8.270 nan 0.000 0.435 145 T N 0.197 114.769 114.554 0.029 0.000 2.720 145 T HA -0.132 4.218 4.350 0.001 0.000 0.268 145 T C 1.874 176.386 174.700 -0.314 0.000 1.037 145 T CA 1.639 63.763 62.100 0.040 0.000 1.144 145 T CB -0.456 68.528 68.868 0.192 0.000 0.864 145 T HN 0.556 nan 8.240 nan 0.000 0.444 146 G N 0.427 108.991 108.800 -0.394 0.000 2.408 146 G HA2 -0.115 3.845 3.960 0.001 0.000 0.217 146 G HA3 -0.115 3.845 3.960 0.001 0.000 0.217 146 G C 1.235 176.102 174.900 -0.055 0.000 1.150 146 G CA 0.252 45.091 45.100 -0.434 0.000 0.776 146 G HN 0.380 nan 8.290 nan 0.000 0.542 147 F N 1.914 121.906 119.950 0.069 0.000 2.134 147 F HA 0.041 4.569 4.527 0.001 0.000 0.299 147 F C 2.989 178.883 175.800 0.158 0.000 1.097 147 F CA 0.296 58.461 58.000 0.275 0.000 1.264 147 F CB -0.969 38.153 39.000 0.202 0.000 1.001 147 F HN 0.265 nan 8.300 nan 0.000 0.479 148 A N -0.077 122.860 122.820 0.195 0.000 1.930 148 A HA -0.090 4.230 4.320 0.001 0.000 0.217 148 A C 2.329 179.908 177.584 -0.009 0.000 1.175 148 A CA 1.203 53.293 52.037 0.089 0.000 0.627 148 A CB -0.991 18.064 19.000 0.091 0.000 0.815 148 A HN 0.368 nan 8.150 nan 0.000 0.443 149 L N -1.106 120.010 121.223 -0.178 0.000 2.156 149 L HA -0.059 4.282 4.340 0.001 0.000 0.208 149 L C 2.332 179.038 176.870 -0.273 0.000 1.095 149 L CA 0.804 55.472 54.840 -0.286 0.000 0.770 149 L CB -0.279 41.427 42.059 -0.588 0.000 0.914 149 L HN 0.352 nan 8.230 nan 0.000 0.439 150 L N -2.393 118.611 121.223 -0.365 0.000 2.316 150 L HA 0.019 4.360 4.340 0.001 0.000 0.207 150 L C 0.497 176.913 176.870 -0.756 0.000 1.070 150 L CA 0.226 54.626 54.840 -0.733 0.000 0.820 150 L CB 0.137 41.379 42.059 -1.363 0.000 0.992 150 L HN 0.293 nan 8.230 nan 0.000 0.466 151 W N 0.844 122.198 121.300 0.090 0.000 1.683 151 W HA 0.300 4.961 4.660 0.001 0.000 0.295 151 W C -1.978 174.599 176.519 0.096 0.000 0.865 151 W CA -1.396 56.014 57.345 0.109 0.000 2.079 151 W CB -0.012 29.517 29.460 0.116 0.000 2.263 151 W HN -0.028 nan 8.180 nan 0.000 0.427 152 P HA -0.194 nan 4.420 nan 0.000 0.217 152 P C 1.040 178.392 177.300 0.087 0.000 1.151 152 P CA 1.660 64.802 63.100 0.069 0.000 0.828 152 P CB 0.224 31.867 31.700 -0.095 0.000 0.788 153 H N -0.046 119.153 119.070 0.214 0.000 2.556 153 H HA 0.086 4.642 4.556 0.001 0.000 0.268 153 H C 1.129 176.566 175.328 0.182 0.000 0.996 153 H CA 0.938 57.099 56.048 0.189 0.000 1.157 153 H CB -0.318 29.523 29.762 0.132 0.000 1.355 153 H HN 0.297 nan 8.280 nan 0.000 0.597 154 T N -2.460 112.277 114.554 0.305 0.000 2.919 154 T HA 0.212 4.562 4.350 0.001 0.000 0.282 154 T C 1.074 175.922 174.700 0.246 0.000 1.020 154 T CA -0.819 61.398 62.100 0.195 0.000 0.994 154 T CB 2.369 71.302 68.868 0.109 0.000 1.180 154 T HN -0.093 nan 8.240 nan 0.000 0.566 155 E N -0.525 119.736 120.200 0.101 0.000 2.481 155 E HA 0.218 4.568 4.350 0.001 0.000 0.195 155 E C 1.726 178.420 176.600 0.157 0.000 1.047 155 E CA 0.372 56.859 56.400 0.145 0.000 0.867 155 E CB -0.737 28.934 29.700 -0.048 0.000 0.858 155 E HN 0.650 nan 8.360 nan 0.000 0.513 156 L N 0.078 121.288 121.223 -0.021 0.000 2.046 156 L HA -0.168 4.172 4.340 0.001 0.000 0.208 156 L C 2.221 179.065 176.870 -0.044 0.000 1.077 156 L CA 1.613 56.255 54.840 -0.330 0.000 0.747 156 L CB -0.473 41.144 42.059 -0.737 0.000 0.896 156 L HN 0.206 nan 8.230 nan 0.000 0.432 157 S N -2.030 113.760 115.700 0.149 0.000 2.607 157 S HA -0.109 4.362 4.470 0.001 0.000 0.224 157 S C 1.226 175.777 174.600 -0.081 0.000 0.969 157 S CA -0.087 58.181 58.200 0.114 0.000 0.927 157 S CB -0.515 62.688 63.200 0.005 0.000 0.772 157 S HN 0.477 nan 8.310 nan 0.000 0.533 158 W N 1.354 122.704 121.300 0.083 0.000 3.077 158 W HA 0.494 5.154 4.660 0.001 0.000 0.266 158 W C 0.453 177.033 176.519 0.102 0.000 1.300 158 W CA -0.967 56.442 57.345 0.107 0.000 1.586 158 W CB -0.100 29.442 29.460 0.136 0.000 1.103 158 W HN 0.145 nan 8.180 nan 0.000 0.652 159 I N 2.019 122.702 120.570 0.189 0.000 2.648 159 I HA -0.086 4.084 4.170 0.001 0.000 0.284 159 I C 1.598 177.706 176.117 -0.016 0.000 1.153 159 I CA 0.116 61.443 61.300 0.045 0.000 1.426 159 I CB 1.112 39.069 38.000 -0.072 0.000 1.381 159 I HN -0.023 nan 8.210 nan 0.000 0.571 160 E N 3.703 123.851 120.200 -0.086 0.000 2.033 160 E HA -0.137 4.213 4.350 0.001 0.000 0.189 160 E C 0.518 177.048 176.600 -0.116 0.000 0.979 160 E CA 1.317 57.626 56.400 -0.152 0.000 0.802 160 E CB 0.073 29.560 29.700 -0.355 0.000 0.763 160 E HN 0.494 nan 8.360 nan 0.000 0.449 161 Q N 0.135 119.925 119.800 -0.016 0.000 2.851 161 Q HA 0.145 4.485 4.340 0.001 0.000 0.331 161 Q C -2.016 174.022 176.000 0.064 0.000 0.979 161 Q CA -1.420 54.421 55.803 0.063 0.000 0.955 161 Q CB 1.289 30.150 28.738 0.206 0.000 1.298 161 Q HN 0.011 nan 8.270 nan 0.000 0.432 162 P HA -0.140 nan 4.420 nan 0.000 0.222 162 P C 0.403 177.762 177.300 0.097 0.000 1.147 162 P CA 1.022 64.183 63.100 0.101 0.000 0.790 162 P CB 0.350 32.163 31.700 0.187 0.000 0.780 163 L N -1.351 119.911 121.223 0.065 0.000 2.611 163 L HA 0.269 4.609 4.340 0.001 0.000 0.229 163 L C 1.368 178.314 176.870 0.128 0.000 1.137 163 L CA -0.384 54.500 54.840 0.073 0.000 0.901 163 L CB -0.647 41.430 42.059 0.029 0.000 1.098 163 L HN -0.101 nan 8.230 nan 0.000 0.456 164 G N -0.214 108.684 108.800 0.163 0.000 2.403 164 G HA2 0.337 4.297 3.960 0.001 0.000 0.259 164 G HA3 0.337 4.297 3.960 0.001 0.000 0.259 164 G C 0.839 175.871 174.900 0.219 0.000 1.244 164 G CA 0.030 45.275 45.100 0.243 0.000 0.849 164 G HN 0.246 nan 8.290 nan 0.000 0.532 165 G N 1.074 110.027 108.800 0.256 0.000 3.088 165 G HA2 0.210 4.171 3.960 0.001 0.000 0.217 165 G HA3 0.210 4.171 3.960 0.001 0.000 0.217 165 G C 0.296 175.354 174.900 0.263 0.000 1.159 165 G CA -0.187 45.037 45.100 0.208 0.000 0.760 165 G HN 0.540 nan 8.290 nan 0.000 0.550 166 E N 0.559 120.984 120.200 0.375 0.000 2.089 166 E HA 0.543 4.893 4.350 0.001 0.000 0.284 166 E C -0.397 176.345 176.600 0.236 0.000 1.023 166 E CA -0.290 56.375 56.400 0.443 0.000 0.819 166 E CB 1.269 31.494 29.700 0.875 0.000 1.076 166 E HN 0.321 nan 8.360 nan 0.000 0.396 167 L N 0.349 121.594 121.223 0.037 0.000 2.940 167 L HA 0.596 4.937 4.340 0.001 0.000 0.270 167 L C -1.645 175.114 176.870 -0.185 0.000 1.030 167 L CA -1.005 53.766 54.840 -0.114 0.000 0.928 167 L CB 0.848 42.881 42.059 -0.043 0.000 1.506 167 L HN 0.397 nan 8.230 nan 0.000 0.405 168 L N 1.486 122.562 121.223 -0.244 0.000 2.385 168 L HA 0.840 5.180 4.340 0.001 0.000 0.273 168 L C -1.044 175.720 176.870 -0.177 0.000 0.990 168 L CA -0.525 54.117 54.840 -0.330 0.000 0.821 168 L CB 1.737 43.541 42.059 -0.425 0.000 1.279 168 L HN 0.861 nan 8.230 nan 0.000 0.412 169 M N 3.557 123.063 119.600 -0.156 0.000 2.602 169 M HA 0.624 5.104 4.480 0.001 0.000 0.312 169 M C -0.706 175.578 176.300 -0.026 0.000 1.181 169 M CA -0.861 54.397 55.300 -0.072 0.000 0.910 169 M CB 1.993 34.561 32.600 -0.053 0.000 1.723 169 M HN 0.418 nan 8.290 nan 0.000 0.459 170 R N 0.523 121.049 120.500 0.045 0.000 2.577 170 R HA 0.342 4.682 4.340 0.001 0.000 0.269 170 R C 0.958 177.373 176.300 0.193 0.000 1.084 170 R CA -0.609 55.560 56.100 0.115 0.000 1.163 170 R CB 0.849 31.204 30.300 0.093 0.000 1.100 170 R HN 0.762 nan 8.270 nan 0.000 0.547 171 R N 1.426 122.082 120.500 0.259 0.000 2.103 171 R HA -0.182 4.158 4.340 0.001 0.000 0.242 171 R C 1.904 178.289 176.300 0.143 0.000 1.142 171 R CA 2.172 58.428 56.100 0.259 0.000 0.960 171 R CB 0.031 30.387 30.300 0.094 0.000 0.858 171 R HN 0.693 nan 8.270 nan 0.000 0.439 172 E N -0.223 120.032 120.200 0.093 0.000 2.152 172 E HA -0.112 4.238 4.350 0.001 0.000 0.192 172 E C 1.905 178.541 176.600 0.060 0.000 0.983 172 E CA 1.244 57.678 56.400 0.057 0.000 0.818 172 E CB -0.256 29.465 29.700 0.037 0.000 0.758 172 E HN 0.272 nan 8.360 nan 0.000 0.467 173 V N 2.035 121.988 119.914 0.065 0.000 2.379 173 V HA -0.140 3.980 4.120 0.001 0.000 0.245 173 V C 2.667 178.788 176.094 0.045 0.000 1.044 173 V CA 1.726 64.049 62.300 0.037 0.000 1.036 173 V CB -0.709 31.124 31.823 0.017 0.000 0.664 173 V HN 0.404 nan 8.190 nan 0.000 0.453 174 A N -0.060 122.820 122.820 0.101 0.000 2.015 174 A HA -0.008 4.312 4.320 0.001 0.000 0.219 174 A C 2.362 180.047 177.584 0.170 0.000 1.163 174 A CA 1.814 53.933 52.037 0.137 0.000 0.646 174 A CB -0.540 18.640 19.000 0.301 0.000 0.806 174 A HN 0.539 nan 8.150 nan 0.000 0.448 175 A N -0.711 122.197 122.820 0.147 0.000 1.897 175 A HA -0.046 4.274 4.320 0.001 0.000 0.215 175 A C 2.179 179.842 177.584 0.132 0.000 1.181 175 A CA 1.707 53.828 52.037 0.140 0.000 0.620 175 A CB -0.491 18.554 19.000 0.076 0.000 0.821 175 A HN 0.504 nan 8.150 nan 0.000 0.443 176 M N -0.201 119.450 119.600 0.085 0.000 2.159 176 M HA -0.073 4.408 4.480 0.001 0.000 0.263 176 M C 1.780 178.125 176.300 0.074 0.000 1.063 176 M CA 1.699 57.035 55.300 0.060 0.000 1.110 176 M CB -0.744 31.875 32.600 0.032 0.000 1.374 176 M HN 0.410 nan 8.290 nan 0.000 0.411 177 L N -1.223 120.054 121.223 0.091 0.000 2.095 177 L HA -0.188 4.153 4.340 0.001 0.000 0.204 177 L C 2.494 179.478 176.870 0.190 0.000 1.080 177 L CA 0.862 55.770 54.840 0.113 0.000 0.759 177 L CB -0.956 41.121 42.059 0.030 0.000 0.914 177 L HN 0.212 nan 8.230 nan 0.000 0.439 178 Y N 1.122 121.471 120.300 0.081 0.000 2.224 178 Y HA -0.265 4.285 4.550 0.001 0.000 0.289 178 Y C 2.428 178.372 175.900 0.073 0.000 1.146 178 Y CA 1.626 59.785 58.100 0.098 0.000 1.182 178 Y CB 0.036 38.558 38.460 0.103 0.000 0.983 178 Y HN 0.124 nan 8.280 nan 0.000 0.524 179 E N 0.372 120.575 120.200 0.005 0.000 2.358 179 E HA -0.068 4.282 4.350 0.001 0.000 0.195 179 E C 0.123 176.682 176.600 -0.068 0.000 1.010 179 E CA 0.300 56.654 56.400 -0.076 0.000 0.856 179 E CB -0.254 29.446 29.700 -0.001 0.000 0.795 179 E HN 0.311 nan 8.360 nan 0.000 0.504 180 D N 0.424 120.814 120.400 -0.017 0.000 2.383 180 D HA -0.057 4.584 4.640 0.001 0.000 0.252 180 D C 0.593 176.884 176.300 -0.015 0.000 1.166 180 D CA 0.177 54.179 54.000 0.003 0.000 0.879 180 D CB 0.968 41.796 40.800 0.047 0.000 1.164 180 D HN 0.133 nan 8.370 nan 0.000 0.462 181 E N 2.946 123.135 120.200 -0.018 0.000 2.204 181 E HA -0.165 4.186 4.350 0.001 0.000 0.194 181 E C 1.523 178.118 176.600 -0.008 0.000 0.989 181 E CA 0.765 57.149 56.400 -0.027 0.000 0.824 181 E CB 0.368 30.054 29.700 -0.023 0.000 0.756 181 E HN 0.379 nan 8.360 nan 0.000 0.477 182 R N -0.254 120.253 120.500 0.012 0.000 2.115 182 R HA -0.084 4.257 4.340 0.001 0.000 0.226 182 R C 2.490 178.803 176.300 0.022 0.000 1.100 182 R CA 1.193 57.303 56.100 0.016 0.000 0.980 182 R CB -0.427 29.891 30.300 0.031 0.000 0.875 182 R HN 0.196 nan 8.270 nan 0.000 0.445 183 V N -0.205 119.740 119.914 0.052 0.000 2.649 183 V HA -0.003 4.117 4.120 0.001 0.000 0.248 183 V C 2.154 178.286 176.094 0.063 0.000 1.054 183 V CA 1.131 63.478 62.300 0.078 0.000 1.073 183 V CB -0.111 31.836 31.823 0.206 0.000 0.699 183 V HN 0.059 nan 8.190 nan 0.000 0.463 184 R N 1.533 122.058 120.500 0.041 0.000 2.105 184 R HA -0.166 4.175 4.340 0.001 0.000 0.239 184 R C 2.540 178.844 176.300 0.007 0.000 1.135 184 R CA 2.448 58.556 56.100 0.013 0.000 0.967 184 R CB -0.773 29.479 30.300 -0.081 0.000 0.861 184 R HN 0.742 nan 8.270 nan 0.000 0.442 185 R N -0.612 119.884 120.500 -0.007 0.000 2.148 185 R HA 0.024 4.364 4.340 0.001 0.000 0.223 185 R C 0.516 176.805 176.300 -0.019 0.000 1.088 185 R CA 0.737 56.830 56.100 -0.012 0.000 0.985 185 R CB -0.058 30.233 30.300 -0.015 0.000 0.880 185 R HN -0.124 nan 8.270 nan 0.000 0.451 186 R N 1.516 122.000 120.500 -0.027 0.000 3.710 186 R HA 0.047 4.388 4.340 0.001 0.000 0.201 186 R C 0.490 176.749 176.300 -0.069 0.000 1.641 186 R CA 0.312 56.383 56.100 -0.050 0.000 1.390 186 R CB 0.103 30.362 30.300 -0.068 0.000 1.341 186 R HN 0.465 nan 8.270 nan 0.000 0.728 187 S N -0.610 115.056 115.700 -0.057 0.000 2.522 187 S HA -0.067 4.404 4.470 0.001 0.000 0.227 187 S C 0.662 175.184 174.600 -0.129 0.000 0.986 187 S CA 0.210 58.368 58.200 -0.070 0.000 0.929 187 S CB -0.260 62.914 63.200 -0.044 0.000 0.769 187 S HN 0.573 nan 8.310 nan 0.000 0.529 188 D N -0.146 120.178 120.400 -0.126 0.000 2.560 188 D HA 0.170 4.810 4.640 0.001 0.000 0.277 188 D C 0.757 176.954 176.300 -0.172 0.000 1.194 188 D CA -1.126 52.769 54.000 -0.175 0.000 1.092 188 D CB -0.615 40.137 40.800 -0.080 0.000 1.169 188 D HN 0.236 nan 8.370 nan 0.000 0.607 189 W N -0.396 120.858 121.300 -0.076 0.000 2.341 189 W HA 0.055 4.715 4.660 0.001 0.000 0.283 189 W C 2.328 178.789 176.519 -0.097 0.000 1.215 189 W CA 0.802 58.099 57.345 -0.080 0.000 1.211 189 W CB -0.176 29.243 29.460 -0.068 0.000 1.131 189 W HN 0.589 nan 8.180 nan 0.000 0.552 190 G N 0.115 108.981 108.800 0.109 0.000 2.625 190 G HA2 -0.224 3.736 3.960 0.001 0.000 0.214 190 G HA3 -0.224 3.736 3.960 0.001 0.000 0.214 190 G C 1.280 176.144 174.900 -0.061 0.000 1.132 190 G CA 0.502 45.614 45.100 0.020 0.000 0.782 190 G HN 0.366 nan 8.290 nan 0.000 0.538 191 I N 0.217 120.710 120.570 -0.128 0.000 2.286 191 I HA -0.133 4.037 4.170 0.001 0.000 0.248 191 I C 1.956 177.814 176.117 -0.432 0.000 1.115 191 I CA 1.388 62.492 61.300 -0.327 0.000 1.392 191 I CB 0.054 37.791 38.000 -0.438 0.000 1.065 191 I HN 0.099 nan 8.210 nan 0.000 0.418 192 D N -0.106 120.159 120.400 -0.224 0.000 2.144 192 D HA -0.155 4.485 4.640 0.001 0.000 0.200 192 D C 2.029 178.332 176.300 0.005 0.000 0.978 192 D CA 1.753 55.687 54.000 -0.109 0.000 0.833 192 D CB -0.258 40.555 40.800 0.021 0.000 0.961 192 D HN 0.378 nan 8.370 nan 0.000 0.470 193 T N 1.937 116.502 114.554 0.018 0.000 2.720 193 T HA -0.107 4.243 4.350 0.001 0.000 0.268 193 T C 2.018 176.809 174.700 0.152 0.000 1.037 193 T CA 0.422 62.586 62.100 0.106 0.000 1.144 193 T CB -0.063 68.825 68.868 0.033 0.000 0.864 193 T HN 0.071 nan 8.240 nan 0.000 0.444 194 L N -0.110 121.139 121.223 0.043 0.000 2.056 194 L HA -0.042 4.298 4.340 0.001 0.000 0.207 194 L C 2.434 179.429 176.870 0.208 0.000 1.078 194 L CA 1.830 56.723 54.840 0.090 0.000 0.749 194 L CB -1.140 40.916 42.059 -0.005 0.000 0.901 194 L HN 0.303 nan 8.230 nan 0.000 0.433 195 Y N 0.537 120.869 120.300 0.053 0.000 2.224 195 Y HA -0.172 4.378 4.550 0.001 0.000 0.289 195 Y C 2.853 178.761 175.900 0.012 0.000 1.146 195 Y CA 1.136 59.248 58.100 0.020 0.000 1.182 195 Y CB -1.453 36.993 38.460 -0.023 0.000 0.983 195 Y HN 0.203 nan 8.280 nan 0.000 0.524 196 T N 0.305 114.982 114.554 0.206 0.000 2.737 196 T HA -0.195 4.155 4.350 0.001 0.000 0.265 196 T C 1.773 176.467 174.700 -0.009 0.000 1.038 196 T CA 1.433 63.590 62.100 0.097 0.000 1.144 196 T CB -0.768 68.197 68.868 0.162 0.000 0.866 196 T HN 0.304 nan 8.240 nan 0.000 0.434 197 F N 2.256 122.155 119.950 -0.084 0.000 2.113 197 F HA -0.130 4.397 4.527 0.001 0.000 0.297 197 F C 2.368 178.037 175.800 -0.219 0.000 1.103 197 F CA 1.371 59.223 58.000 -0.247 0.000 1.248 197 F CB -0.391 38.509 39.000 -0.168 0.000 0.999 197 F HN 0.033 nan 8.300 nan 0.000 0.475 198 V N -1.254 118.647 119.914 -0.023 0.000 2.548 198 V HA -0.150 3.970 4.120 0.001 0.000 0.249 198 V C 2.280 178.272 176.094 -0.171 0.000 1.055 198 V CA 1.980 64.219 62.300 -0.100 0.000 1.065 198 V CB -1.719 30.161 31.823 0.096 0.000 0.681 198 V HN 0.553 nan 8.190 nan 0.000 0.462 199 T N -0.828 113.655 114.554 -0.118 0.000 2.720 199 T HA -0.180 4.171 4.350 0.001 0.000 0.268 199 T C 1.862 176.439 174.700 -0.206 0.000 1.037 199 T CA 1.951 63.974 62.100 -0.128 0.000 1.144 199 T CB -0.999 67.814 68.868 -0.091 0.000 0.864 199 T HN 0.380 nan 8.240 nan 0.000 0.444 200 V N 1.660 121.385 119.914 -0.314 0.000 2.515 200 V HA -0.133 3.988 4.120 0.001 0.000 0.250 200 V C 2.884 178.727 176.094 -0.419 0.000 1.058 200 V CA 1.899 63.972 62.300 -0.378 0.000 1.064 200 V CB -0.825 30.707 31.823 -0.486 0.000 0.675 200 V HN 0.556 nan 8.190 nan 0.000 0.461 201 Q N -0.630 118.847 119.800 -0.539 0.000 2.172 201 Q HA -0.148 4.193 4.340 0.001 0.000 0.200 201 Q C 1.871 177.717 176.000 -0.257 0.000 0.964 201 Q CA 0.935 56.450 55.803 -0.480 0.000 0.855 201 Q CB 0.139 28.523 28.738 -0.590 0.000 0.918 201 Q HN 0.548 nan 8.270 nan 0.000 0.444 202 Q N -0.957 118.722 119.800 -0.201 0.000 2.280 202 Q HA 0.124 4.465 4.340 0.001 0.000 0.202 202 Q C 0.506 176.447 176.000 -0.098 0.000 0.903 202 Q CA 0.650 56.382 55.803 -0.119 0.000 0.948 202 Q CB 1.028 29.715 28.738 -0.084 0.000 1.058 202 Q HN 0.539 nan 8.270 nan 0.000 0.493 203 G N 0.962 109.690 108.800 -0.120 0.000 2.221 203 G HA2 -0.265 3.696 3.960 0.001 0.000 0.265 203 G HA3 -0.265 3.696 3.960 0.001 0.000 0.265 203 G C 0.241 175.105 174.900 -0.060 0.000 1.041 203 G CA 0.267 45.314 45.100 -0.088 0.000 0.807 203 G HN 0.246 nan 8.290 nan 0.000 0.502 204 V N 1.279 121.153 119.914 -0.066 0.000 2.655 204 V HA 0.422 4.542 4.120 0.001 0.000 0.300 204 V C 1.301 177.391 176.094 -0.005 0.000 1.044 204 V CA 0.364 62.645 62.300 -0.032 0.000 1.095 204 V CB 1.369 33.168 31.823 -0.041 0.000 0.952 204 V HN 0.982 nan 8.190 nan 0.000 0.485 205 S N 6.140 121.871 115.700 0.051 0.000 2.523 205 S HA 0.683 5.153 4.470 0.001 0.000 0.275 205 S C -0.654 174.081 174.600 0.226 0.000 1.281 205 S CA -0.618 57.666 58.200 0.140 0.000 1.050 205 S CB 0.557 63.840 63.200 0.139 0.000 0.937 205 S HN 0.481 nan 8.310 nan 0.000 0.492 206 I N 3.052 123.745 120.570 0.205 0.000 2.466 206 I HA 0.378 4.548 4.170 0.001 0.000 0.289 206 I C -1.064 175.039 176.117 -0.024 0.000 1.026 206 I CA -0.869 60.478 61.300 0.078 0.000 1.078 206 I CB 1.567 39.521 38.000 -0.077 0.000 1.249 206 I HN 0.724 nan 8.210 nan 0.000 0.429 207 Y N 5.095 125.140 120.300 -0.425 0.000 2.409 207 Y HA 0.398 4.949 4.550 0.001 0.000 0.339 207 Y C -0.310 175.456 175.900 -0.224 0.000 1.033 207 Y CA -0.467 57.276 58.100 -0.595 0.000 1.094 207 Y CB 1.637 39.436 38.460 -1.101 0.000 1.210 207 Y HN 0.474 nan 8.280 nan 0.000 0.456 208 E N 5.141 125.073 120.200 -0.446 0.000 2.121 208 E HA 0.238 4.588 4.350 0.001 0.000 0.255 208 E C -0.753 175.876 176.600 0.049 0.000 0.906 208 E CA -0.517 55.812 56.400 -0.119 0.000 0.745 208 E CB 0.870 30.483 29.700 -0.146 0.000 1.155 208 E HN 0.578 nan 8.360 nan 0.000 0.424 209 C N 2.230 121.679 119.300 0.248 0.000 2.745 209 C HA 0.089 4.549 4.460 0.001 0.000 0.387 209 C C 0.043 175.160 174.990 0.213 0.000 1.312 209 C CA 0.129 59.352 59.018 0.340 0.000 2.204 209 C CB -0.493 27.509 27.740 0.436 0.000 2.686 209 C HN 0.699 nan 8.230 nan 0.000 0.705 210 Y N 1.458 121.692 120.300 -0.110 0.000 2.386 210 Y HA 0.636 5.187 4.550 0.001 0.000 0.334 210 Y C -0.606 175.086 175.900 -0.347 0.000 1.002 210 Y CA -0.826 56.994 58.100 -0.466 0.000 1.068 210 Y CB 0.635 38.742 38.460 -0.589 0.000 1.203 210 Y HN 0.574 nan 8.280 nan 0.000 0.443 211 I N 9.291 129.222 120.570 -1.065 0.000 2.304 211 I HA 0.311 4.481 4.170 0.001 0.000 0.291 211 I C -1.516 174.088 176.117 -0.856 0.000 1.018 211 I CA -1.978 58.812 61.300 -0.849 0.000 1.260 211 I CB 1.544 38.964 38.000 -0.967 0.000 1.390 211 I HN 0.560 nan 8.210 nan 0.000 0.475 212 P HA -0.171 nan 4.420 nan 0.000 0.216 212 P C 0.326 177.614 177.300 -0.020 0.000 1.153 212 P CA 1.232 64.293 63.100 -0.065 0.000 0.848 212 P CB 0.287 32.041 31.700 0.091 0.000 0.787 213 E N 0.235 120.443 120.200 0.012 0.000 2.134 213 E HA 0.417 4.768 4.350 0.001 0.000 0.278 213 E C 0.781 177.460 176.600 0.131 0.000 0.959 213 E CA -0.744 55.722 56.400 0.111 0.000 0.783 213 E CB 0.825 30.615 29.700 0.150 0.000 1.095 213 E HN -0.030 nan 8.360 nan 0.000 0.399 214 G N 3.985 112.864 108.800 0.132 0.000 2.467 214 G HA2 -0.017 3.944 3.960 0.001 0.000 0.243 214 G HA3 -0.017 3.944 3.960 0.001 0.000 0.243 214 G C 0.065 174.954 174.900 -0.018 0.000 1.521 214 G CA -0.208 44.958 45.100 0.109 0.000 1.055 214 G HN 0.511 nan 8.290 nan 0.000 0.553 215 K N -1.085 119.141 120.400 -0.290 0.000 2.440 215 K HA 0.545 4.865 4.320 0.001 0.000 0.252 215 K C 0.097 176.560 176.600 -0.227 0.000 1.044 215 K CA -0.281 55.854 56.287 -0.253 0.000 0.962 215 K CB 0.759 33.041 32.500 -0.364 0.000 1.269 215 K HN 0.446 nan 8.250 nan 0.000 0.505 216 A N 1.417 124.149 122.820 -0.147 0.000 2.276 216 A HA 0.271 4.591 4.320 0.001 0.000 0.316 216 A C -0.936 176.604 177.584 -0.074 0.000 1.229 216 A CA -0.574 51.379 52.037 -0.140 0.000 0.851 216 A CB 0.184 19.169 19.000 -0.026 0.000 1.165 216 A HN 0.568 nan 8.150 nan 0.000 0.513 217 H N 1.992 121.116 119.070 0.090 0.000 2.683 217 H HA 0.174 4.730 4.556 0.001 0.000 0.339 217 H C 1.036 176.426 175.328 0.104 0.000 1.081 217 H CA 0.259 56.367 56.048 0.100 0.000 1.432 217 H CB 0.780 30.612 29.762 0.117 0.000 1.462 217 H HN 0.857 nan 8.280 nan 0.000 0.557 218 R N 2.156 122.795 120.500 0.231 0.000 2.828 218 R HA 0.265 4.605 4.340 0.001 0.000 0.270 218 R C -0.215 176.194 176.300 0.180 0.000 1.244 218 R CA -0.702 55.501 56.100 0.171 0.000 1.143 218 R CB 0.117 30.500 30.300 0.138 0.000 1.128 218 R HN 0.346 nan 8.270 nan 0.000 0.587 219 L N 0.903 122.219 121.223 0.155 0.000 2.416 219 L HA 0.069 4.409 4.340 0.001 0.000 0.272 219 L C -0.083 176.905 176.870 0.198 0.000 1.161 219 L CA -0.335 54.605 54.840 0.167 0.000 0.845 219 L CB 0.265 42.403 42.059 0.131 0.000 1.119 219 L HN 0.522 nan 8.230 nan 0.000 0.464 220 Y N 3.481 123.831 120.300 0.083 0.000 2.680 220 Y HA 0.450 5.000 4.550 0.001 0.000 0.356 220 Y C 0.381 176.329 175.900 0.079 0.000 1.122 220 Y CA -0.081 58.063 58.100 0.074 0.000 1.509 220 Y CB -0.097 38.392 38.460 0.048 0.000 1.245 220 Y HN 0.495 nan 8.280 nan 0.000 0.513 221 G N 2.864 111.536 108.800 -0.213 0.000 2.727 221 G HA2 0.459 4.419 3.960 0.001 0.000 0.289 221 G HA3 0.459 4.419 3.960 0.001 0.000 0.289 221 G C -0.592 174.227 174.900 -0.135 0.000 1.418 221 G CA -0.664 44.299 45.100 -0.228 0.000 0.818 221 G HN 0.844 nan 8.290 nan 0.000 0.486 222 G N -0.609 108.153 108.800 -0.064 0.000 2.353 222 G HA2 0.368 4.329 3.960 0.001 0.000 0.239 222 G HA3 0.368 4.329 3.960 0.001 0.000 0.239 222 G C 1.127 176.095 174.900 0.113 0.000 1.295 222 G CA -0.354 44.770 45.100 0.039 0.000 0.884 222 G HN 0.526 nan 8.290 nan 0.000 0.537 223 L N 1.594 122.895 121.223 0.130 0.000 2.356 223 L HA -0.236 4.104 4.340 0.001 0.000 0.219 223 L C 2.491 179.635 176.870 0.456 0.000 1.095 223 L CA 1.873 56.860 54.840 0.246 0.000 0.784 223 L CB -0.526 41.575 42.059 0.069 0.000 0.890 223 L HN 0.694 nan 8.230 nan 0.000 0.441 224 D N -0.192 120.429 120.400 0.370 0.000 2.218 224 D HA -0.241 4.400 4.640 0.001 0.000 0.194 224 D C 1.600 177.868 176.300 -0.053 0.000 1.007 224 D CA 1.682 55.732 54.000 0.084 0.000 0.879 224 D CB 0.048 40.880 40.800 0.055 0.000 0.918 224 D HN 0.478 nan 8.370 nan 0.000 0.449 225 D N -0.518 119.902 120.400 0.032 0.000 2.149 225 D HA -0.099 4.541 4.640 0.001 0.000 0.201 225 D C 1.821 178.102 176.300 -0.031 0.000 0.972 225 D CA 0.163 54.164 54.000 0.002 0.000 0.835 225 D CB -0.140 40.680 40.800 0.034 0.000 0.966 225 D HN 0.239 nan 8.370 nan 0.000 0.476 226 L N 1.039 122.265 121.223 0.005 0.000 2.675 226 L HA 0.046 4.387 4.340 0.001 0.000 0.238 226 L C 2.112 178.883 176.870 -0.164 0.000 1.155 226 L CA 0.501 55.289 54.840 -0.086 0.000 0.881 226 L CB -0.999 41.062 42.059 0.003 0.000 1.008 226 L HN -0.051 nan 8.230 nan 0.000 0.443 227 R N -0.655 119.733 120.500 -0.186 0.000 2.070 227 R HA -0.148 4.192 4.340 0.001 0.000 0.233 227 R C 1.982 178.175 176.300 -0.179 0.000 1.137 227 R CA 1.976 57.899 56.100 -0.295 0.000 0.945 227 R CB -0.068 29.873 30.300 -0.599 0.000 0.845 227 R HN 0.268 nan 8.270 nan 0.000 0.430 228 T N 1.254 115.739 114.554 -0.115 0.000 2.684 228 T HA -0.214 4.136 4.350 0.001 0.000 0.267 228 T C 1.728 176.420 174.700 -0.014 0.000 1.036 228 T CA 1.698 63.797 62.100 -0.002 0.000 1.148 228 T CB -0.200 68.732 68.868 0.106 0.000 0.863 228 T HN 0.288 nan 8.240 nan 0.000 0.436 229 M N 0.437 119.892 119.600 -0.242 0.000 2.144 229 M HA -0.117 4.363 4.480 0.001 0.000 0.260 229 M C 2.142 178.260 176.300 -0.303 0.000 1.067 229 M CA 1.501 56.490 55.300 -0.517 0.000 1.095 229 M CB -0.231 31.805 32.600 -0.939 0.000 1.365 229 M HN 0.252 nan 8.290 nan 0.000 0.406 230 L N 0.157 121.182 121.223 -0.330 0.000 1.994 230 L HA -0.128 4.212 4.340 0.001 0.000 0.208 230 L C 2.388 179.133 176.870 -0.208 0.000 1.071 230 L CA 2.097 56.692 54.840 -0.407 0.000 0.745 230 L CB -0.956 40.756 42.059 -0.578 0.000 0.892 230 L HN 0.360 nan 8.230 nan 0.000 0.431 231 V N -2.567 117.306 119.914 -0.070 0.000 2.407 231 V HA -0.226 3.895 4.120 0.001 0.000 0.248 231 V C 2.160 178.337 176.094 0.137 0.000 1.055 231 V CA 2.054 64.413 62.300 0.098 0.000 1.049 231 V CB -1.085 30.900 31.823 0.269 0.000 0.662 231 V HN 0.623 nan 8.190 nan 0.000 0.455 232 E N -0.617 119.637 120.200 0.089 0.000 2.216 232 E HA -0.082 4.268 4.350 0.001 0.000 0.192 232 E C 2.187 178.819 176.600 0.054 0.000 0.988 232 E CA 1.372 57.837 56.400 0.108 0.000 0.834 232 E CB -0.179 29.625 29.700 0.174 0.000 0.772 232 E HN 0.723 nan 8.360 nan 0.000 0.479 233 C N 0.213 119.513 119.300 -0.001 0.000 2.486 233 C HA -0.046 4.415 4.460 0.001 0.000 0.279 233 C C 2.350 177.299 174.990 -0.069 0.000 1.302 233 C CA 0.025 59.015 59.018 -0.046 0.000 1.720 233 C CB -0.819 26.862 27.740 -0.099 0.000 2.030 233 C HN 0.441 nan 8.230 nan 0.000 0.490 234 F N 2.401 122.226 119.950 -0.209 0.000 2.171 234 F HA -0.044 4.484 4.527 0.001 0.000 0.300 234 F C 2.306 177.986 175.800 -0.200 0.000 1.090 234 F CA 1.444 59.270 58.000 -0.291 0.000 1.293 234 F CB -0.425 38.252 39.000 -0.538 0.000 1.013 234 F HN 0.153 nan 8.300 nan 0.000 0.486 235 A N 0.532 123.323 122.820 -0.048 0.000 1.902 235 A HA -0.082 4.238 4.320 0.001 0.000 0.217 235 A C 2.455 179.951 177.584 -0.147 0.000 1.181 235 A CA 1.781 53.807 52.037 -0.017 0.000 0.623 235 A CB -1.591 17.504 19.000 0.158 0.000 0.818 235 A HN 0.510 nan 8.150 nan 0.000 0.443 236 A N -0.058 122.688 122.820 -0.124 0.000 1.892 236 A HA -0.179 4.141 4.320 0.001 0.000 0.218 236 A C 2.179 179.650 177.584 -0.189 0.000 1.188 236 A CA 1.772 53.734 52.037 -0.126 0.000 0.631 236 A CB -0.634 18.315 19.000 -0.085 0.000 0.822 236 A HN 0.510 nan 8.150 nan 0.000 0.447 237 I N -0.937 119.479 120.570 -0.256 0.000 2.202 237 I HA -0.286 3.885 4.170 0.001 0.000 0.242 237 I C 2.838 178.754 176.117 -0.336 0.000 1.091 237 I CA 1.727 62.876 61.300 -0.250 0.000 1.368 237 I CB -0.333 37.510 38.000 -0.263 0.000 1.058 237 I HN 0.566 nan 8.210 nan 0.000 0.410 238 Q N 0.725 120.181 119.800 -0.574 0.000 2.112 238 Q HA -0.282 4.058 4.340 0.001 0.000 0.206 238 Q C 2.198 178.036 176.000 -0.271 0.000 0.987 238 Q CA 2.577 58.087 55.803 -0.489 0.000 0.858 238 Q CB -0.103 28.336 28.738 -0.499 0.000 0.905 238 Q HN 0.582 nan 8.270 nan 0.000 0.420 239 S N -0.588 114.990 115.700 -0.204 0.000 2.447 239 S HA -0.057 4.414 4.470 0.001 0.000 0.233 239 S C 1.605 176.135 174.600 -0.117 0.000 1.006 239 S CA 0.710 58.835 58.200 -0.124 0.000 0.957 239 S CB -0.094 63.048 63.200 -0.097 0.000 0.773 239 S HN 0.476 nan 8.310 nan 0.000 0.507 240 L N 1.468 122.591 121.223 -0.166 0.000 2.640 240 L HA 0.203 4.543 4.340 0.001 0.000 0.230 240 L C 2.622 179.516 176.870 0.041 0.000 1.123 240 L CA 0.226 54.957 54.840 -0.181 0.000 0.900 240 L CB -0.304 41.410 42.059 -0.575 0.000 1.146 240 L HN 0.479 nan 8.230 nan 0.000 0.484 241 Q N -0.096 119.635 119.800 -0.115 0.000 2.181 241 Q HA -0.230 4.110 4.340 0.001 0.000 0.205 241 Q C 1.148 176.988 176.000 -0.267 0.000 0.980 241 Q CA 1.597 57.226 55.803 -0.290 0.000 0.862 241 Q CB -0.247 28.182 28.738 -0.515 0.000 0.905 241 Q HN 0.544 nan 8.270 nan 0.000 0.429 242 H N 0.470 119.575 119.070 0.058 0.000 2.551 242 H HA 0.263 4.819 4.556 0.001 0.000 0.271 242 H C -0.030 175.405 175.328 0.178 0.000 0.984 242 H CA -0.042 56.052 56.048 0.076 0.000 1.164 242 H CB 0.314 30.094 29.762 0.029 0.000 1.437 242 H HN 0.336 nan 8.280 nan 0.000 0.550 243 E N 1.544 121.972 120.200 0.381 0.000 2.418 243 E HA 0.092 4.443 4.350 0.001 0.000 0.261 243 E C 0.032 176.942 176.600 0.516 0.000 1.070 243 E CA -0.041 56.605 56.400 0.411 0.000 0.931 243 E CB 1.957 31.924 29.700 0.444 0.000 0.954 243 E HN -0.077 nan 8.360 nan 0.000 0.439 244 V N 2.428 122.541 119.914 0.333 0.000 2.532 244 V HA 0.314 4.435 4.120 0.001 0.000 0.295 244 V C 0.014 176.191 176.094 0.139 0.000 1.041 244 V CA -0.605 61.859 62.300 0.274 0.000 0.926 244 V CB 1.909 33.828 31.823 0.159 0.000 0.992 244 V HN 0.345 nan 8.190 nan 0.000 0.457 245 V N 3.076 123.046 119.914 0.093 0.000 2.686 245 V HA 0.642 4.763 4.120 0.001 0.000 0.306 245 V C 0.591 176.662 176.094 -0.037 0.000 1.065 245 V CA -0.479 61.747 62.300 -0.124 0.000 0.894 245 V CB 1.848 33.409 31.823 -0.438 0.000 1.004 245 V HN 0.971 nan 8.190 nan 0.000 0.424 246 G N 1.671 110.425 108.800 -0.077 0.000 2.636 246 G HA2 0.278 4.239 3.960 0.001 0.000 0.246 246 G HA3 0.278 4.239 3.960 0.001 0.000 0.246 246 G C 0.501 175.385 174.900 -0.026 0.000 1.216 246 G CA 0.224 45.300 45.100 -0.040 0.000 0.854 246 G HN 0.829 nan 8.290 nan 0.000 0.572 247 Q N -0.172 119.625 119.800 -0.005 0.000 2.123 247 Q HA 0.052 4.392 4.340 0.001 0.000 0.199 247 Q C -1.146 174.842 176.000 -0.019 0.000 0.966 247 Q CA 0.550 56.361 55.803 0.012 0.000 0.845 247 Q CB -0.447 28.301 28.738 0.017 0.000 0.907 247 Q HN 0.491 nan 8.270 nan 0.000 0.439 248 P HA 0.472 nan 4.420 nan 0.000 0.294 248 P C -1.713 175.551 177.300 -0.060 0.000 1.294 248 P CA -0.416 62.659 63.100 -0.043 0.000 0.827 248 P CB 1.788 33.466 31.700 -0.036 0.000 0.992 249 A N 3.558 126.345 122.820 -0.055 0.000 2.294 249 A HA 0.291 4.611 4.320 0.001 0.000 0.309 249 A C -0.428 177.144 177.584 -0.020 0.000 1.002 249 A CA -0.633 51.370 52.037 -0.057 0.000 1.043 249 A CB -0.389 18.548 19.000 -0.105 0.000 1.358 249 A HN 0.439 nan 8.150 nan 0.000 0.361 250 I N 3.535 124.112 120.570 0.011 0.000 2.741 250 I HA 0.052 4.223 4.170 0.001 0.000 0.288 250 I C 0.659 176.860 176.117 0.140 0.000 1.192 250 I CA 1.136 62.471 61.300 0.058 0.000 1.426 250 I CB 0.216 38.257 38.000 0.069 0.000 1.367 250 I HN 0.736 nan 8.210 nan 0.000 0.563 251 H N 7.450 126.505 119.070 -0.025 0.000 3.017 251 H HA 0.536 5.092 4.556 0.001 0.000 0.340 251 H C -1.093 174.166 175.328 -0.116 0.000 1.014 251 H CA -0.928 55.077 56.048 -0.072 0.000 1.341 251 H CB 1.086 30.780 29.762 -0.113 0.000 1.739 251 H HN 0.602 nan 8.280 nan 0.000 0.506 252 R N 2.597 122.946 120.500 -0.252 0.000 2.869 252 R HA 0.332 4.672 4.340 0.001 0.000 0.263 252 R C -1.279 174.587 176.300 -0.723 0.000 1.066 252 R CA -1.045 54.787 56.100 -0.446 0.000 0.960 252 R CB 2.824 33.009 30.300 -0.192 0.000 1.221 252 R HN 0.721 nan 8.270 nan 0.000 0.474 253 Q N 0.077 119.435 119.800 -0.737 0.000 2.380 253 Q HA 0.178 4.518 4.340 0.001 0.000 0.245 253 Q C -1.249 174.500 176.000 -0.419 0.000 0.893 253 Q CA -0.813 54.566 55.803 -0.706 0.000 0.922 253 Q CB 1.812 30.278 28.738 -0.452 0.000 1.432 253 Q HN 0.628 nan 8.270 nan 0.000 0.434 254 E N 3.112 123.092 120.200 -0.366 0.000 2.604 254 E HA -0.182 4.168 4.350 0.001 0.000 0.267 254 E C -0.550 176.081 176.600 0.052 0.000 0.970 254 E CA 0.009 56.432 56.400 0.038 0.000 0.956 254 E CB 0.589 30.422 29.700 0.221 0.000 0.939 254 E HN 0.612 nan 8.360 nan 0.000 0.465 255 H N 5.142 124.189 119.070 -0.038 0.000 2.848 255 H HA 0.125 4.681 4.556 0.001 0.000 0.341 255 H C -2.035 173.172 175.328 -0.202 0.000 1.060 255 H CA -1.635 54.357 56.048 -0.093 0.000 1.444 255 H CB 0.677 30.380 29.762 -0.098 0.000 1.446 255 H HN 0.455 nan 8.280 nan 0.000 0.583 256 P HA 0.085 nan 4.420 nan 0.000 0.276 256 P C -0.189 176.806 177.300 -0.509 0.000 1.230 256 P CA -0.086 62.442 63.100 -0.953 0.000 0.776 256 P CB 0.970 32.251 31.700 -0.700 0.000 0.888 257 H N 2.924 121.746 119.070 -0.413 0.000 2.508 257 H HA 0.190 4.746 4.556 0.001 0.000 0.358 257 H C 0.710 176.057 175.328 0.033 0.000 1.212 257 H CA -0.631 55.416 56.048 -0.003 0.000 1.356 257 H CB 0.992 30.842 29.762 0.146 0.000 1.525 257 H HN 0.419 nan 8.280 nan 0.000 0.578 258 R N 1.603 122.372 120.500 0.449 0.000 2.585 258 R HA 0.097 4.437 4.340 0.001 0.000 0.275 258 R C -0.751 175.642 176.300 0.155 0.000 1.018 258 R CA -0.413 55.825 56.100 0.230 0.000 1.072 258 R CB -0.138 30.276 30.300 0.190 0.000 0.953 258 R HN 0.150 nan 8.270 nan 0.000 0.419 259 V N 5.354 125.353 119.914 0.141 0.000 2.694 259 V HA 0.056 4.176 4.120 0.001 0.000 0.306 259 V C -1.622 174.458 176.094 -0.023 0.000 1.054 259 V CA -0.913 61.428 62.300 0.068 0.000 1.161 259 V CB 0.379 32.185 31.823 -0.029 0.000 0.916 259 V HN 0.852 nan 8.190 nan 0.000 0.490 260 P HA 0.212 nan 4.420 nan 0.000 0.274 260 P C 0.968 178.174 177.300 -0.157 0.000 1.231 260 P CA -0.334 62.728 63.100 -0.063 0.000 0.790 260 P CB 0.719 32.415 31.700 -0.007 0.000 0.951 261 V N 2.112 122.007 119.914 -0.032 0.000 2.231 261 V HA -0.319 3.801 4.120 0.001 0.000 0.248 261 V C 2.421 178.480 176.094 -0.059 0.000 1.054 261 V CA 2.465 64.746 62.300 -0.032 0.000 1.015 261 V CB -1.704 30.139 31.823 0.035 0.000 0.638 261 V HN 0.792 nan 8.190 nan 0.000 0.444 262 H N -0.114 118.952 119.070 -0.005 0.000 2.466 262 H HA -0.185 4.371 4.556 0.001 0.000 0.297 262 H C 2.054 177.387 175.328 0.009 0.000 1.113 262 H CA 2.340 58.395 56.048 0.013 0.000 1.273 262 H CB -0.583 29.211 29.762 0.053 0.000 1.371 262 H HN 0.475 nan 8.280 nan 0.000 0.528 263 I N 0.835 121.111 120.570 -0.489 0.000 2.400 263 I HA -0.026 4.144 4.170 0.001 0.000 0.248 263 I C 3.002 178.933 176.117 -0.311 0.000 1.109 263 I CA 0.735 61.843 61.300 -0.321 0.000 1.425 263 I CB -0.354 37.479 38.000 -0.277 0.000 1.094 263 I HN 0.290 nan 8.210 nan 0.000 0.425 264 A N 0.629 123.183 122.820 -0.443 0.000 1.969 264 A HA -0.124 4.197 4.320 0.001 0.000 0.218 264 A C 1.404 178.872 177.584 -0.194 0.000 1.169 264 A CA 1.099 52.796 52.037 -0.568 0.000 0.635 264 A CB -0.483 18.159 19.000 -0.597 0.000 0.810 264 A HN 0.449 nan 8.150 nan 0.000 0.445 265 E N 0.121 120.242 120.200 -0.132 0.000 2.280 265 E HA 0.285 4.636 4.350 0.001 0.000 0.279 265 E C -0.417 176.147 176.600 -0.059 0.000 1.325 265 E CA -0.144 56.219 56.400 -0.063 0.000 1.486 265 E CB 0.133 29.810 29.700 -0.038 0.000 1.466 265 E HN 0.296 nan 8.360 nan 0.000 0.473 266 R N 0.785 121.244 120.500 -0.067 0.000 2.564 266 R HA 0.362 4.702 4.340 0.001 0.000 0.284 266 R C -1.162 175.112 176.300 -0.044 0.000 1.031 266 R CA -0.666 55.388 56.100 -0.078 0.000 0.904 266 R CB 2.187 32.390 30.300 -0.163 0.000 1.199 266 R HN 0.034 nan 8.270 nan 0.000 0.443 267 V N 2.394 122.285 119.914 -0.039 0.000 2.439 267 V HA 0.276 4.396 4.120 0.001 0.000 0.282 267 V C 1.198 177.319 176.094 0.045 0.000 1.039 267 V CA -0.150 62.133 62.300 -0.029 0.000 0.913 267 V CB 1.584 33.369 31.823 -0.063 0.000 0.983 267 V HN 1.073 nan 8.190 nan 0.000 0.460 268 G N 3.723 112.568 108.800 0.074 0.000 2.623 268 G HA2 0.104 4.064 3.960 0.001 0.000 0.214 268 G HA3 0.104 4.064 3.960 0.001 0.000 0.214 268 G C 0.186 175.251 174.900 0.275 0.000 1.138 268 G CA 0.782 46.000 45.100 0.197 0.000 0.794 268 G HN 0.843 nan 8.290 nan 0.000 0.535 269 Y N -2.475 117.856 120.300 0.051 0.000 2.656 269 Y HA 0.584 5.134 4.550 0.001 0.000 0.334 269 Y C -1.892 173.890 175.900 -0.196 0.000 1.179 269 Y CA -2.240 55.807 58.100 -0.089 0.000 1.050 269 Y CB 0.760 39.172 38.460 -0.079 0.000 1.308 269 Y HN -0.151 nan 8.280 nan 0.000 0.456 270 D N 1.518 121.730 120.400 -0.313 0.000 2.365 270 D HA 0.250 4.891 4.640 0.001 0.000 0.237 270 D C 0.703 176.955 176.300 -0.080 0.000 1.190 270 D CA 0.054 53.817 54.000 -0.395 0.000 0.867 270 D CB 1.766 42.272 40.800 -0.490 0.000 1.050 270 D HN 0.548 nan 8.370 nan 0.000 0.491 271 V N 4.249 124.085 119.914 -0.130 0.000 2.323 271 V HA -0.156 3.964 4.120 0.001 0.000 0.244 271 V C 2.375 178.478 176.094 0.015 0.000 1.041 271 V CA 1.302 63.563 62.300 -0.064 0.000 1.025 271 V CB -0.481 31.243 31.823 -0.166 0.000 0.656 271 V HN 0.628 nan 8.190 nan 0.000 0.451 272 E N 0.465 120.674 120.200 0.016 0.000 2.049 272 E HA -0.293 4.058 4.350 0.001 0.000 0.198 272 E C 2.248 178.899 176.600 0.085 0.000 1.007 272 E CA 1.783 58.211 56.400 0.046 0.000 0.809 272 E CB -0.222 29.507 29.700 0.048 0.000 0.749 272 E HN 0.554 nan 8.360 nan 0.000 0.450 273 A N -0.035 122.830 122.820 0.074 0.000 1.969 273 A HA -0.116 4.205 4.320 0.001 0.000 0.218 273 A C 2.293 179.937 177.584 0.099 0.000 1.169 273 A CA 1.772 53.870 52.037 0.102 0.000 0.635 273 A CB -0.577 18.450 19.000 0.045 0.000 0.810 273 A HN 0.292 nan 8.150 nan 0.000 0.445 274 T N 0.391 114.995 114.554 0.084 0.000 2.821 274 T HA -0.027 4.323 4.350 0.001 0.000 0.267 274 T C 1.770 176.489 174.700 0.033 0.000 1.046 274 T CA 1.311 63.443 62.100 0.053 0.000 1.139 274 T CB -0.308 68.598 68.868 0.063 0.000 0.871 274 T HN 0.371 nan 8.240 nan 0.000 0.454 275 L N 0.005 121.267 121.223 0.064 0.000 2.027 275 L HA -0.086 4.254 4.340 0.001 0.000 0.206 275 L C 2.544 179.512 176.870 0.164 0.000 1.074 275 L CA 1.521 56.416 54.840 0.093 0.000 0.745 275 L CB -0.624 41.492 42.059 0.095 0.000 0.898 275 L HN 0.431 nan 8.230 nan 0.000 0.433 276 H N -0.116 118.983 119.070 0.048 0.000 2.352 276 H HA -0.230 4.326 4.556 0.001 0.000 0.299 276 H C 2.441 177.800 175.328 0.052 0.000 1.097 276 H CA 1.314 57.392 56.048 0.048 0.000 1.311 276 H CB 0.328 30.112 29.762 0.037 0.000 1.377 276 H HN 0.024 nan 8.280 nan 0.000 0.504 277 R N 0.745 121.291 120.500 0.076 0.000 2.120 277 R HA -0.093 4.248 4.340 0.001 0.000 0.234 277 R C 2.208 178.549 176.300 0.069 0.000 1.123 277 R CA 0.764 56.872 56.100 0.013 0.000 0.975 277 R CB -0.820 29.548 30.300 0.113 0.000 0.866 277 R HN 0.338 nan 8.270 nan 0.000 0.446 278 L N -0.104 121.172 121.223 0.089 0.000 2.187 278 L HA -0.017 4.323 4.340 0.001 0.000 0.213 278 L C 1.528 178.548 176.870 0.250 0.000 1.100 278 L CA 1.739 56.645 54.840 0.110 0.000 0.765 278 L CB -0.198 41.930 42.059 0.115 0.000 0.904 278 L HN 0.273 nan 8.230 nan 0.000 0.437 279 M N -1.908 117.847 119.600 0.258 0.000 2.428 279 M HA 0.115 4.595 4.480 0.001 0.000 0.239 279 M C 0.413 176.914 176.300 0.335 0.000 1.121 279 M CA 0.193 55.707 55.300 0.357 0.000 1.019 279 M CB 0.220 32.965 32.600 0.243 0.000 1.485 279 M HN 0.132 nan 8.290 nan 0.000 0.484 280 Q N -0.654 119.221 119.800 0.124 0.000 2.240 280 Q HA 0.287 4.627 4.340 0.001 0.000 0.260 280 Q C -0.246 175.667 176.000 -0.145 0.000 1.018 280 Q CA -0.890 54.854 55.803 -0.098 0.000 0.898 280 Q CB 0.926 29.405 28.738 -0.431 0.000 1.301 280 Q HN 0.230 nan 8.270 nan 0.000 0.469 281 H N -1.673 117.427 119.070 0.049 0.000 2.741 281 H HA -0.197 4.359 4.556 0.001 0.000 0.305 281 H C -1.255 174.030 175.328 -0.073 0.000 1.169 281 H CA 0.613 56.653 56.048 -0.014 0.000 1.144 281 H CB -1.892 27.837 29.762 -0.054 0.000 1.397 281 H HN 0.477 nan 8.280 nan 0.000 0.409 282 W N 0.862 122.211 121.300 0.082 0.000 2.202 282 W HA 0.375 5.035 4.660 0.001 0.000 0.332 282 W C 0.851 177.393 176.519 0.038 0.000 1.263 282 W CA 0.774 58.148 57.345 0.048 0.000 1.223 282 W CB 1.090 30.563 29.460 0.022 0.000 1.128 282 W HN 0.257 nan 8.180 nan 0.000 0.573 283 T N 0.001 114.740 114.554 0.308 0.000 2.906 283 T HA 0.355 4.705 4.350 0.001 0.000 0.295 283 T C -2.219 172.591 174.700 0.185 0.000 1.061 283 T CA -2.081 60.130 62.100 0.184 0.000 1.000 283 T CB 2.014 70.932 68.868 0.084 0.000 1.103 283 T HN 0.029 nan 8.240 nan 0.000 0.486 284 P HA -0.094 nan 4.420 nan 0.000 0.216 284 P C 1.584 178.917 177.300 0.055 0.000 1.150 284 P CA 0.914 64.055 63.100 0.069 0.000 0.843 284 P CB 0.112 31.833 31.700 0.036 0.000 0.787 285 R N 0.008 120.527 120.500 0.031 0.000 2.081 285 R HA -0.169 4.171 4.340 0.001 0.000 0.235 285 R C 2.331 178.606 176.300 -0.042 0.000 1.131 285 R CA 1.627 57.718 56.100 -0.015 0.000 0.960 285 R CB -0.637 29.640 30.300 -0.039 0.000 0.856 285 R HN 0.192 nan 8.270 nan 0.000 0.436 286 Q N -0.582 119.213 119.800 -0.009 0.000 2.124 286 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 286 Q C 2.080 178.146 176.000 0.111 0.000 0.977 286 Q CA 1.736 57.525 55.803 -0.023 0.000 0.850 286 Q CB 0.050 28.775 28.738 -0.022 0.000 0.901 286 Q HN 0.214 nan 8.270 nan 0.000 0.429 287 V N 0.746 120.779 119.914 0.198 0.000 2.343 287 V HA -0.264 3.856 4.120 0.001 0.000 0.247 287 V C 2.073 178.199 176.094 0.054 0.000 1.051 287 V CA 2.097 64.483 62.300 0.143 0.000 1.036 287 V CB -0.410 31.442 31.823 0.048 0.000 0.654 287 V HN 0.341 nan 8.190 nan 0.000 0.451 288 E N -0.221 119.992 120.200 0.022 0.000 2.152 288 E HA -0.142 4.209 4.350 0.001 0.000 0.192 288 E C 1.898 178.495 176.600 -0.006 0.000 0.983 288 E CA 0.670 57.072 56.400 0.003 0.000 0.818 288 E CB -0.140 29.557 29.700 -0.005 0.000 0.758 288 E HN 0.353 nan 8.360 nan 0.000 0.467 289 L N 0.313 121.502 121.223 -0.056 0.000 2.201 289 L HA -0.036 4.305 4.340 0.001 0.000 0.212 289 L C 1.873 178.782 176.870 0.065 0.000 1.105 289 L CA 1.263 56.034 54.840 -0.116 0.000 0.775 289 L CB -0.458 41.337 42.059 -0.439 0.000 0.913 289 L HN 0.276 nan 8.230 nan 0.000 0.440 290 L N -1.056 120.228 121.223 0.102 0.000 2.450 290 L HA -0.186 4.154 4.340 0.001 0.000 0.224 290 L C 2.176 179.210 176.870 0.273 0.000 1.149 290 L CA 0.379 55.354 54.840 0.225 0.000 0.816 290 L CB -0.260 41.845 42.059 0.078 0.000 0.932 290 L HN 0.250 nan 8.230 nan 0.000 0.449 291 E N 0.305 120.590 120.200 0.141 0.000 2.265 291 E HA -0.171 4.179 4.350 0.001 0.000 0.196 291 E C 1.991 178.632 176.600 0.069 0.000 0.996 291 E CA 0.763 57.216 56.400 0.088 0.000 0.832 291 E CB -0.042 29.680 29.700 0.037 0.000 0.756 291 E HN 0.472 nan 8.360 nan 0.000 0.491 292 L N -0.297 120.953 121.223 0.045 0.000 2.552 292 L HA 0.054 4.394 4.340 0.001 0.000 0.227 292 L C 0.098 176.833 176.870 -0.226 0.000 1.146 292 L CA -0.049 54.687 54.840 -0.173 0.000 0.858 292 L CB -0.047 41.765 42.059 -0.412 0.000 0.969 292 L HN 0.017 nan 8.230 nan 0.000 0.451 293 F N -0.635 119.341 119.950 0.043 0.000 2.450 293 F HA 0.295 4.822 4.527 0.001 0.000 0.328 293 F C 1.262 177.099 175.800 0.062 0.000 1.068 293 F CA -1.156 56.889 58.000 0.075 0.000 1.007 293 F CB 0.845 39.904 39.000 0.099 0.000 1.251 293 F HN -0.199 nan 8.300 nan 0.000 0.492 294 T N -2.443 112.273 114.554 0.270 0.000 2.855 294 T HA 0.043 4.394 4.350 0.001 0.000 0.314 294 T C 1.049 175.838 174.700 0.148 0.000 1.077 294 T CA -0.273 61.929 62.100 0.171 0.000 1.095 294 T CB 0.696 69.664 68.868 0.168 0.000 0.987 294 T HN 0.641 nan 8.240 nan 0.000 0.546 295 T N 3.098 117.708 114.554 0.093 0.000 2.684 295 T HA -0.024 4.326 4.350 0.001 0.000 0.267 295 T C -0.747 173.967 174.700 0.024 0.000 1.036 295 T CA 1.610 63.742 62.100 0.053 0.000 1.148 295 T CB -1.335 67.554 68.868 0.036 0.000 0.863 295 T HN 0.604 nan 8.240 nan 0.000 0.436 296 P HA -0.003 nan 4.420 nan 0.000 0.216 296 P C 1.550 178.807 177.300 -0.073 0.000 1.150 296 P CA 0.592 63.708 63.100 0.027 0.000 0.837 296 P CB -0.172 31.607 31.700 0.132 0.000 0.786 297 V N -0.165 119.786 119.914 0.061 0.000 2.548 297 V HA -0.158 3.963 4.120 0.001 0.000 0.249 297 V C 2.673 178.663 176.094 -0.174 0.000 1.055 297 V CA 1.582 63.899 62.300 0.028 0.000 1.065 297 V CB -0.969 31.019 31.823 0.276 0.000 0.681 297 V HN 0.076 nan 8.190 nan 0.000 0.462 298 R N 0.114 120.576 120.500 -0.064 0.000 2.073 298 R HA -0.121 4.219 4.340 0.001 0.000 0.229 298 R C 2.256 178.467 176.300 -0.150 0.000 1.120 298 R CA 1.386 57.452 56.100 -0.057 0.000 0.967 298 R CB -0.090 30.230 30.300 0.035 0.000 0.862 298 R HN 0.409 nan 8.270 nan 0.000 0.436 299 E N -0.096 119.993 120.200 -0.185 0.000 2.072 299 E HA -0.076 4.274 4.350 0.001 0.000 0.190 299 E C 1.915 178.308 176.600 -0.345 0.000 0.982 299 E CA 1.276 57.553 56.400 -0.205 0.000 0.803 299 E CB -0.437 29.175 29.700 -0.147 0.000 0.755 299 E HN 0.581 nan 8.360 nan 0.000 0.453 300 G N 1.696 110.090 108.800 -0.677 0.000 2.459 300 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 300 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 300 G C 1.647 176.112 174.900 -0.725 0.000 1.183 300 G CA 0.437 44.768 45.100 -1.282 0.000 0.776 300 G HN 0.187 nan 8.290 nan 0.000 0.552 301 L N -0.159 120.771 121.223 -0.489 0.000 2.109 301 L HA 0.042 4.382 4.340 0.001 0.000 0.207 301 L C 3.172 180.104 176.870 0.103 0.000 1.086 301 L CA 0.903 55.761 54.840 0.030 0.000 0.760 301 L CB -0.280 41.850 42.059 0.119 0.000 0.910 301 L HN 0.238 nan 8.230 nan 0.000 0.437 302 R N -1.051 119.406 120.500 -0.071 0.000 2.120 302 R HA -0.130 4.210 4.340 0.001 0.000 0.234 302 R C 2.037 178.185 176.300 -0.253 0.000 1.123 302 R CA 1.676 57.645 56.100 -0.218 0.000 0.975 302 R CB -0.379 29.805 30.300 -0.194 0.000 0.866 302 R HN 0.349 nan 8.270 nan 0.000 0.446 303 T N 0.342 114.801 114.554 -0.158 0.000 2.737 303 T HA -0.214 4.136 4.350 0.001 0.000 0.269 303 T C 1.905 176.560 174.700 -0.075 0.000 1.040 303 T CA 1.347 63.377 62.100 -0.115 0.000 1.142 303 T CB -0.408 68.413 68.868 -0.078 0.000 0.861 303 T HN 0.395 nan 8.240 nan 0.000 0.456 304 C N 1.587 120.902 119.300 0.025 0.000 2.422 304 C HA -0.067 4.393 4.460 0.001 0.000 0.286 304 C C 2.741 177.772 174.990 0.068 0.000 1.412 304 C CA 0.256 59.371 59.018 0.162 0.000 1.786 304 C CB -1.403 26.576 27.740 0.399 0.000 1.835 304 C HN 0.613 nan 8.230 nan 0.000 0.533 305 Q N 0.089 119.675 119.800 -0.357 0.000 2.170 305 Q HA -0.147 4.193 4.340 0.001 0.000 0.203 305 Q C 2.306 178.184 176.000 -0.203 0.000 0.976 305 Q CA 1.379 56.848 55.803 -0.555 0.000 0.858 305 Q CB -0.046 28.198 28.738 -0.823 0.000 0.907 305 Q HN 0.697 nan 8.270 nan 0.000 0.433 306 R N -0.318 120.099 120.500 -0.137 0.000 2.195 306 R HA 0.142 4.483 4.340 0.001 0.000 0.197 306 R C 0.074 176.361 176.300 -0.021 0.000 0.990 306 R CA 0.392 56.447 56.100 -0.075 0.000 1.048 306 R CB 0.612 30.860 30.300 -0.087 0.000 0.997 306 R HN 0.088 nan 8.270 nan 0.000 0.502 307 R N -0.693 119.808 120.500 0.002 0.000 2.709 307 R HA 0.336 4.676 4.340 0.001 0.000 0.270 307 R C -3.240 173.108 176.300 0.080 0.000 1.038 307 R CA -1.930 54.192 56.100 0.037 0.000 0.872 307 R CB 0.296 30.602 30.300 0.011 0.000 1.259 307 R HN -0.262 nan 8.270 nan 0.000 0.473 308 P HA 0.284 nan 4.420 nan 0.000 0.271 308 P C -1.107 176.294 177.300 0.169 0.000 1.226 308 P CA -0.150 63.065 63.100 0.191 0.000 0.765 308 P CB 1.192 33.030 31.700 0.230 0.000 0.835 309 A N 3.234 126.186 122.820 0.220 0.000 2.386 309 A HA 0.777 5.097 4.320 0.001 0.000 0.311 309 A C -0.408 177.370 177.584 0.324 0.000 1.068 309 A CA -0.519 51.602 52.037 0.140 0.000 0.743 309 A CB 0.553 19.660 19.000 0.179 0.000 1.258 309 A HN 0.586 nan 8.150 nan 0.000 0.429 310 F N -0.396 119.612 119.950 0.097 0.000 3.196 310 F HA 0.227 4.755 4.527 0.001 0.000 0.379 310 F C 0.730 176.350 175.800 -0.299 0.000 1.175 310 F CA -0.389 57.488 58.000 -0.205 0.000 0.940 310 F CB -0.316 38.572 39.000 -0.187 0.000 1.548 310 F HN 0.352 nan 8.300 nan 0.000 0.508 311 N N 2.114 120.618 118.700 -0.326 0.000 2.309 311 N HA -0.114 4.626 4.740 0.001 0.000 0.182 311 N C 1.682 177.143 175.510 -0.083 0.000 1.018 311 N CA 1.931 54.878 53.050 -0.171 0.000 0.876 311 N CB -0.612 37.770 38.487 -0.175 0.000 0.972 311 N HN 0.642 nan 8.380 nan 0.000 0.434 312 F N -0.335 119.609 119.950 -0.009 0.000 2.407 312 F HA 0.172 4.699 4.527 0.001 0.000 0.299 312 F C 1.305 177.156 175.800 0.086 0.000 1.097 312 F CA 0.166 58.186 58.000 0.032 0.000 1.422 312 F CB -0.330 38.686 39.000 0.027 0.000 1.067 312 F HN -0.158 nan 8.300 nan 0.000 0.539 313 M N 3.550 122.680 119.600 -0.783 0.000 3.652 313 M HA 0.186 4.666 4.480 0.001 0.000 0.208 313 M C -0.329 175.897 176.300 -0.122 0.000 1.307 313 M CA -1.437 53.584 55.300 -0.464 0.000 1.524 313 M CB -1.707 30.412 32.600 -0.802 0.000 1.067 313 M HN 0.343 nan 8.290 nan 0.000 0.590 314 D N -0.821 119.589 120.400 0.016 0.000 2.314 314 D HA -0.067 4.573 4.640 0.001 0.000 0.252 314 D C 0.844 177.259 176.300 0.192 0.000 1.295 314 D CA 0.015 54.062 54.000 0.078 0.000 0.995 314 D CB 0.239 41.091 40.800 0.086 0.000 1.125 314 D HN 0.522 nan 8.370 nan 0.000 0.537 315 E N -1.280 119.045 120.200 0.209 0.000 2.072 315 E HA -0.162 4.188 4.350 0.001 0.000 0.191 315 E C 2.052 178.886 176.600 0.390 0.000 0.985 315 E CA 0.748 57.318 56.400 0.283 0.000 0.801 315 E CB 0.017 29.820 29.700 0.172 0.000 0.750 315 E HN 0.337 nan 8.360 nan 0.000 0.452 316 M N 0.440 120.216 119.600 0.294 0.000 2.132 316 M HA -0.073 4.408 4.480 0.001 0.000 0.263 316 M C 2.455 178.943 176.300 0.312 0.000 1.065 316 M CA 1.425 56.906 55.300 0.301 0.000 1.122 316 M CB -0.918 31.807 32.600 0.210 0.000 1.365 316 M HN 0.238 nan 8.290 nan 0.000 0.411 317 A N -0.646 122.355 122.820 0.301 0.000 1.969 317 A HA -0.205 4.115 4.320 0.001 0.000 0.218 317 A C 2.080 179.898 177.584 0.389 0.000 1.169 317 A CA 0.978 53.203 52.037 0.313 0.000 0.635 317 A CB -1.159 18.027 19.000 0.310 0.000 0.810 317 A HN 0.778 nan 8.150 nan 0.000 0.445 318 W N 0.645 122.082 121.300 0.228 0.000 2.418 318 W HA -0.090 4.570 4.660 0.001 0.000 0.292 318 W C 2.100 178.781 176.519 0.269 0.000 1.213 318 W CA 1.285 58.779 57.345 0.247 0.000 1.283 318 W CB -0.073 29.539 29.460 0.254 0.000 1.119 318 W HN 0.418 nan 8.180 nan 0.000 0.542 319 A N 1.073 124.033 122.820 0.232 0.000 1.933 319 A HA -0.078 4.243 4.320 0.001 0.000 0.218 319 A C 2.111 179.722 177.584 0.046 0.000 1.175 319 A CA 2.335 54.332 52.037 -0.067 0.000 0.628 319 A CB -1.209 17.831 19.000 0.068 0.000 0.814 319 A HN 0.301 nan 8.150 nan 0.000 0.444 320 A N -1.297 121.613 122.820 0.151 0.000 1.929 320 A HA -0.008 4.312 4.320 0.001 0.000 0.216 320 A C 2.264 179.955 177.584 0.178 0.000 1.176 320 A CA 2.060 54.199 52.037 0.170 0.000 0.628 320 A CB -1.041 18.063 19.000 0.174 0.000 0.816 320 A HN 0.402 nan 8.150 nan 0.000 0.444 321 T N -1.720 112.940 114.554 0.176 0.000 2.777 321 T HA -0.141 4.209 4.350 0.001 0.000 0.266 321 T C 1.749 176.455 174.700 0.011 0.000 1.040 321 T CA 1.582 63.820 62.100 0.230 0.000 1.141 321 T CB -0.398 68.599 68.868 0.216 0.000 0.868 321 T HN 0.555 nan 8.240 nan 0.000 0.444 322 Y N 0.906 120.960 120.300 -0.410 0.000 2.181 322 Y HA -0.220 4.330 4.550 0.001 0.000 0.288 322 Y C 2.720 178.466 175.900 -0.257 0.000 1.146 322 Y CA 1.505 59.301 58.100 -0.507 0.000 1.164 322 Y CB -0.093 37.920 38.460 -0.746 0.000 0.982 322 Y HN 0.341 nan 8.280 nan 0.000 0.515 323 H N -1.517 117.574 119.070 0.036 0.000 2.357 323 H HA -0.147 4.409 4.556 0.001 0.000 0.301 323 H C 2.404 177.717 175.328 -0.025 0.000 1.082 323 H CA 1.862 57.912 56.048 0.003 0.000 1.342 323 H CB -0.325 29.416 29.762 -0.035 0.000 1.389 323 H HN 0.263 nan 8.280 nan 0.000 0.511 324 V N 1.303 121.264 119.914 0.078 0.000 2.343 324 V HA -0.233 3.887 4.120 0.001 0.000 0.247 324 V C 2.810 178.887 176.094 -0.027 0.000 1.051 324 V CA 1.241 63.518 62.300 -0.037 0.000 1.036 324 V CB -0.595 31.008 31.823 -0.368 0.000 0.654 324 V HN 0.259 nan 8.190 nan 0.000 0.451 325 L N -0.914 120.294 121.223 -0.027 0.000 2.083 325 L HA -0.170 4.170 4.340 0.001 0.000 0.209 325 L C 2.343 179.250 176.870 0.062 0.000 1.083 325 L CA 1.356 56.167 54.840 -0.049 0.000 0.752 325 L CB -0.399 41.419 42.059 -0.402 0.000 0.899 325 L HN 0.305 nan 8.230 nan 0.000 0.433 326 L N -0.660 120.600 121.223 0.062 0.000 2.141 326 L HA -0.197 4.143 4.340 0.001 0.000 0.209 326 L C 2.517 179.335 176.870 -0.087 0.000 1.094 326 L CA 1.145 55.984 54.840 -0.001 0.000 0.763 326 L CB -0.235 41.768 42.059 -0.093 0.000 0.908 326 L HN 0.326 nan 8.230 nan 0.000 0.437 327 E N -1.159 118.968 120.200 -0.122 0.000 2.190 327 E HA -0.122 4.228 4.350 0.001 0.000 0.191 327 E C 1.480 177.818 176.600 -0.437 0.000 0.978 327 E CA 0.642 56.874 56.400 -0.279 0.000 0.839 327 E CB 0.303 29.788 29.700 -0.358 0.000 0.787 327 E HN 0.599 nan 8.360 nan 0.000 0.473 328 H N -1.919 117.015 119.070 -0.227 0.000 2.927 328 H HA 0.151 4.707 4.556 0.001 0.000 0.255 328 H C -0.272 174.467 175.328 -0.983 0.000 0.974 328 H CA -0.414 55.393 56.048 -0.402 0.000 1.199 328 H CB 0.380 29.992 29.762 -0.250 0.000 1.447 328 H HN 0.013 nan 8.280 nan 0.000 0.467 329 F N 3.195 122.552 119.950 -0.989 0.000 2.608 329 F HA 0.025 4.552 4.527 0.001 0.000 0.380 329 F C -0.113 175.298 175.800 -0.648 0.000 1.083 329 F CA 0.235 57.587 58.000 -1.081 0.000 1.266 329 F CB 0.446 39.242 39.000 -0.341 0.000 1.076 329 F HN 0.073 nan 8.300 nan 0.000 0.574 330 Q N 8.188 127.218 119.800 -1.284 0.000 2.381 330 Q HA 0.301 4.642 4.340 0.001 0.000 0.263 330 Q C -2.391 173.093 176.000 -0.859 0.000 1.030 330 Q CA -2.250 53.118 55.803 -0.726 0.000 0.772 330 Q CB 1.469 29.995 28.738 -0.353 0.000 1.232 330 Q HN 0.393 nan 8.270 nan 0.000 0.476 331 P HA -0.025 nan 4.420 nan 0.000 0.262 331 P C 0.719 177.908 177.300 -0.185 0.000 1.199 331 P CA 0.980 63.888 63.100 -0.320 0.000 0.763 331 P CB 0.619 32.302 31.700 -0.028 0.000 0.790 332 G N 2.389 111.115 108.800 -0.124 0.000 2.238 332 G HA2 -0.189 3.771 3.960 0.001 0.000 0.217 332 G HA3 -0.189 3.771 3.960 0.001 0.000 0.217 332 G C 0.028 174.905 174.900 -0.039 0.000 0.996 332 G CA -0.345 44.720 45.100 -0.057 0.000 0.632 332 G HN 0.581 nan 8.290 nan 0.000 0.503 333 D N 1.791 122.165 120.400 -0.044 0.000 2.344 333 D HA 0.349 4.989 4.640 0.001 0.000 0.253 333 D C -0.711 175.614 176.300 0.041 0.000 1.255 333 D CA -1.386 52.636 54.000 0.036 0.000 0.894 333 D CB 1.454 42.350 40.800 0.161 0.000 1.067 333 D HN 0.090 nan 8.370 nan 0.000 0.492 334 P HA -0.127 nan 4.420 nan 0.000 0.216 334 P C 0.769 178.071 177.300 0.002 0.000 1.150 334 P CA 0.909 64.010 63.100 0.001 0.000 0.843 334 P CB 0.442 32.131 31.700 -0.019 0.000 0.787 335 D N -2.200 118.186 120.400 -0.023 0.000 2.194 335 D HA -0.094 4.546 4.640 0.001 0.000 0.204 335 D C 1.969 178.214 176.300 -0.093 0.000 0.964 335 D CA 0.840 54.784 54.000 -0.094 0.000 0.846 335 D CB -0.523 40.178 40.800 -0.164 0.000 0.962 335 D HN 0.275 nan 8.370 nan 0.000 0.490 336 W N 1.959 123.258 121.300 -0.001 0.000 2.381 336 W HA -0.080 4.581 4.660 0.001 0.000 0.301 336 W C 2.464 179.103 176.519 0.201 0.000 1.205 336 W CA 0.555 57.928 57.345 0.046 0.000 1.285 336 W CB 0.036 29.392 29.460 -0.173 0.000 1.133 336 W HN -0.007 nan 8.180 nan 0.000 0.521 337 E N -0.078 120.338 120.200 0.360 0.000 2.077 337 E HA -0.265 4.085 4.350 0.001 0.000 0.193 337 E C 1.839 178.600 176.600 0.268 0.000 0.989 337 E CA 1.430 58.057 56.400 0.377 0.000 0.800 337 E CB -0.213 29.600 29.700 0.189 0.000 0.746 337 E HN 0.108 nan 8.360 nan 0.000 0.452 338 E N 0.897 121.183 120.200 0.142 0.000 2.110 338 E HA -0.171 4.179 4.350 0.001 0.000 0.193 338 E C 1.801 178.447 176.600 0.076 0.000 0.988 338 E CA 0.623 57.076 56.400 0.089 0.000 0.804 338 E CB -0.100 29.582 29.700 -0.031 0.000 0.745 338 E HN 0.100 nan 8.360 nan 0.000 0.458 339 L N -0.078 121.179 121.223 0.056 0.000 2.131 339 L HA 0.048 4.388 4.340 0.001 0.000 0.206 339 L C 2.142 179.070 176.870 0.096 0.000 1.087 339 L CA 1.163 55.999 54.840 -0.007 0.000 0.767 339 L CB -0.738 41.295 42.059 -0.044 0.000 0.917 339 L HN 0.332 nan 8.230 nan 0.000 0.441 340 L N -1.284 120.070 121.223 0.218 0.000 2.046 340 L HA -0.213 4.127 4.340 0.001 0.000 0.208 340 L C 2.345 179.308 176.870 0.154 0.000 1.077 340 L CA 1.819 56.717 54.840 0.097 0.000 0.747 340 L CB -0.892 41.123 42.059 -0.074 0.000 0.896 340 L HN 0.319 nan 8.230 nan 0.000 0.432 341 F N 0.160 120.147 119.950 0.062 0.000 2.134 341 F HA -0.221 4.307 4.527 0.001 0.000 0.299 341 F C 2.288 178.178 175.800 0.149 0.000 1.097 341 F CA 1.752 59.815 58.000 0.104 0.000 1.264 341 F CB -0.070 38.962 39.000 0.054 0.000 1.001 341 F HN 0.009 nan 8.300 nan 0.000 0.479 342 K N -0.235 120.107 120.400 -0.096 0.000 2.116 342 K HA -0.092 4.229 4.320 0.001 0.000 0.203 342 K C 1.883 178.430 176.600 -0.090 0.000 1.052 342 K CA 0.769 56.940 56.287 -0.192 0.000 0.952 342 K CB -0.297 32.107 32.500 -0.159 0.000 0.729 342 K HN 0.222 nan 8.250 nan 0.000 0.446 343 L N -0.024 121.212 121.223 0.021 0.000 2.046 343 L HA -0.173 4.167 4.340 0.001 0.000 0.208 343 L C 2.066 179.039 176.870 0.172 0.000 1.077 343 L CA 1.599 56.520 54.840 0.134 0.000 0.747 343 L CB -1.022 41.133 42.059 0.159 0.000 0.896 343 L HN 0.339 nan 8.230 nan 0.000 0.432 344 W N 0.007 121.276 121.300 -0.053 0.000 2.436 344 W HA -0.149 4.511 4.660 0.001 0.000 0.284 344 W C 2.287 178.553 176.519 -0.422 0.000 1.225 344 W CA 1.632 58.826 57.345 -0.251 0.000 1.271 344 W CB -0.243 29.146 29.460 -0.118 0.000 1.114 344 W HN 0.009 nan 8.180 nan 0.000 0.559 345 T N -0.155 114.123 114.554 -0.461 0.000 2.821 345 T HA -0.224 4.126 4.350 0.001 0.000 0.267 345 T C 1.817 176.167 174.700 -0.584 0.000 1.046 345 T CA 2.538 64.206 62.100 -0.720 0.000 1.139 345 T CB -0.712 67.758 68.868 -0.665 0.000 0.871 345 T HN 0.387 nan 8.240 nan 0.000 0.454 346 T N 0.282 114.617 114.554 -0.365 0.000 2.904 346 T HA -0.014 4.336 4.350 0.001 0.000 0.267 346 T C 2.002 176.466 174.700 -0.394 0.000 1.059 346 T CA 0.767 62.704 62.100 -0.271 0.000 1.137 346 T CB -0.155 68.638 68.868 -0.126 0.000 0.879 346 T HN 0.107 nan 8.240 nan 0.000 0.467 347 R N 1.312 121.496 120.500 -0.527 0.000 2.066 347 R HA 0.082 4.422 4.340 0.001 0.000 0.232 347 R C 2.285 178.216 176.300 -0.615 0.000 1.131 347 R CA 1.380 57.088 56.100 -0.653 0.000 0.955 347 R CB -1.297 28.283 30.300 -1.201 0.000 0.851 347 R HN 0.359 nan 8.270 nan 0.000 0.432 348 V N 0.746 120.172 119.914 -0.814 0.000 2.343 348 V HA -0.222 3.898 4.120 0.001 0.000 0.247 348 V C 2.318 178.143 176.094 -0.448 0.000 1.051 348 V CA 1.850 63.713 62.300 -0.729 0.000 1.036 348 V CB -0.431 30.695 31.823 -1.161 0.000 0.654 348 V HN 0.289 nan 8.190 nan 0.000 0.451 349 L N 0.112 121.010 121.223 -0.543 0.000 2.056 349 L HA -0.151 4.190 4.340 0.001 0.000 0.207 349 L C 2.560 179.128 176.870 -0.504 0.000 1.078 349 L CA 1.616 56.083 54.840 -0.622 0.000 0.749 349 L CB -0.693 40.762 42.059 -1.006 0.000 0.901 349 L HN 0.428 nan 8.230 nan 0.000 0.433 350 N N 0.113 118.655 118.700 -0.263 0.000 2.058 350 N HA -0.290 4.450 4.740 0.001 0.000 0.191 350 N C 2.059 177.496 175.510 -0.121 0.000 1.037 350 N CA 1.811 54.839 53.050 -0.037 0.000 0.848 350 N CB -0.205 38.229 38.487 -0.088 0.000 1.021 350 N HN 0.355 nan 8.380 nan 0.000 0.422 351 Y N 1.666 121.795 120.300 -0.285 0.000 2.165 351 Y HA -0.167 4.383 4.550 0.001 0.000 0.286 351 Y C 2.364 178.109 175.900 -0.259 0.000 1.155 351 Y CA 2.251 60.166 58.100 -0.308 0.000 1.164 351 Y CB -0.783 37.486 38.460 -0.319 0.000 0.978 351 Y HN 0.006 nan 8.280 nan 0.000 0.513 352 T N 0.833 115.204 114.554 -0.306 0.000 2.746 352 T HA -0.139 4.211 4.350 0.001 0.000 0.267 352 T C 1.643 176.164 174.700 -0.299 0.000 1.039 352 T CA 1.781 63.698 62.100 -0.305 0.000 1.142 352 T CB -0.158 68.664 68.868 -0.078 0.000 0.866 352 T HN 0.271 nan 8.240 nan 0.000 0.444 353 M N 1.347 120.815 119.600 -0.220 0.000 2.476 353 M HA 0.126 4.607 4.480 0.001 0.000 0.262 353 M C 2.334 178.535 176.300 -0.164 0.000 1.111 353 M CA 0.979 56.200 55.300 -0.132 0.000 1.127 353 M CB -1.337 31.287 32.600 0.039 0.000 1.376 353 M HN 0.413 nan 8.290 nan 0.000 0.465 354 T N -4.231 110.186 114.554 -0.230 0.000 3.001 354 T HA 0.288 4.638 4.350 0.001 0.000 0.251 354 T C 1.475 175.955 174.700 -0.366 0.000 1.040 354 T CA 0.125 62.074 62.100 -0.252 0.000 0.985 354 T CB 0.258 69.005 68.868 -0.202 0.000 1.011 354 T HN 0.070 nan 8.240 nan 0.000 0.509 355 V N 0.365 119.987 119.914 -0.487 0.000 3.279 355 V HA 0.491 4.612 4.120 0.001 0.000 0.213 355 V C 2.808 178.621 176.094 -0.470 0.000 1.335 355 V CA 0.538 62.527 62.300 -0.519 0.000 1.317 355 V CB -0.365 30.940 31.823 -0.864 0.000 1.209 355 V HN 0.424 nan 8.190 nan 0.000 0.525 356 A N -0.027 122.405 122.820 -0.646 0.000 1.930 356 A HA -0.120 4.200 4.320 0.001 0.000 0.217 356 A C 1.939 179.379 177.584 -0.241 0.000 1.175 356 A CA 1.830 53.611 52.037 -0.427 0.000 0.627 356 A CB -0.457 18.294 19.000 -0.415 0.000 0.815 356 A HN 0.409 nan 8.150 nan 0.000 0.443 357 L N -0.038 121.030 121.223 -0.258 0.000 2.551 357 L HA 0.026 4.367 4.340 0.001 0.000 0.228 357 L C 1.914 178.667 176.870 -0.194 0.000 1.153 357 L CA 1.114 55.839 54.840 -0.190 0.000 0.851 357 L CB -0.605 41.346 42.059 -0.179 0.000 0.959 357 L HN 0.316 nan 8.230 nan 0.000 0.451 358 R N 0.011 120.351 120.500 -0.265 0.000 2.313 358 R HA 0.342 4.683 4.340 0.001 0.000 0.199 358 R C 0.486 176.696 176.300 -0.151 0.000 0.958 358 R CA 0.542 56.454 56.100 -0.313 0.000 1.047 358 R CB -0.201 29.668 30.300 -0.719 0.000 0.955 358 R HN 0.413 nan 8.270 nan 0.000 0.481 359 G N 0.311 109.075 108.800 -0.060 0.000 2.784 359 G HA2 -0.293 3.668 3.960 0.001 0.000 0.686 359 G HA3 -0.293 3.668 3.960 0.001 0.000 0.686 359 G C -0.175 174.790 174.900 0.110 0.000 1.156 359 G CA -0.492 44.631 45.100 0.038 0.000 0.757 359 G HN 0.237 nan 8.290 nan 0.000 0.642 360 Y N 0.895 121.211 120.300 0.026 0.000 2.165 360 Y HA -0.169 4.381 4.550 0.001 0.000 0.286 360 Y C 2.432 178.375 175.900 0.072 0.000 1.155 360 Y CA 2.640 60.766 58.100 0.043 0.000 1.164 360 Y CB 0.142 38.626 38.460 0.040 0.000 0.978 360 Y HN 0.624 nan 8.280 nan 0.000 0.513 361 D N -0.801 119.693 120.400 0.157 0.000 2.149 361 D HA -0.258 4.383 4.640 0.001 0.000 0.198 361 D C 1.848 178.156 176.300 0.013 0.000 0.990 361 D CA 1.646 55.688 54.000 0.071 0.000 0.839 361 D CB -0.673 40.202 40.800 0.125 0.000 0.948 361 D HN 0.509 nan 8.370 nan 0.000 0.460 362 Y N 1.405 121.670 120.300 -0.059 0.000 2.274 362 Y HA -0.158 4.393 4.550 0.001 0.000 0.290 362 Y C 2.283 178.127 175.900 -0.094 0.000 1.145 362 Y CA 1.462 59.524 58.100 -0.064 0.000 1.203 362 Y CB -0.062 38.354 38.460 -0.073 0.000 0.984 362 Y HN -0.057 nan 8.280 nan 0.000 0.533 363 A N -0.080 122.736 122.820 -0.008 0.000 1.841 363 A HA -0.193 4.127 4.320 0.001 0.000 0.214 363 A C 2.109 179.563 177.584 -0.216 0.000 1.195 363 A CA 1.583 53.558 52.037 -0.103 0.000 0.611 363 A CB -0.738 18.155 19.000 -0.179 0.000 0.835 363 A HN 0.443 nan 8.150 nan 0.000 0.443 364 Q N -0.089 119.495 119.800 -0.359 0.000 2.029 364 Q HA -0.316 4.025 4.340 0.001 0.000 0.209 364 Q C 2.260 178.189 176.000 -0.120 0.000 0.999 364 Q CA 2.512 58.157 55.803 -0.263 0.000 0.857 364 Q CB -0.730 27.900 28.738 -0.181 0.000 0.926 364 Q HN 0.965 nan 8.270 nan 0.000 0.415 365 Q N -0.418 119.315 119.800 -0.112 0.000 2.084 365 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 365 Q C 1.952 177.828 176.000 -0.207 0.000 0.978 365 Q CA 1.823 57.557 55.803 -0.115 0.000 0.844 365 Q CB -1.250 27.390 28.738 -0.163 0.000 0.898 365 Q HN 0.475 nan 8.270 nan 0.000 0.426 366 Y N 0.816 120.885 120.300 -0.385 0.000 2.102 366 Y HA -0.243 4.307 4.550 0.001 0.000 0.280 366 Y C 1.752 177.482 175.900 -0.282 0.000 1.178 366 Y CA 2.111 60.011 58.100 -0.334 0.000 1.146 366 Y CB -0.118 38.195 38.460 -0.244 0.000 0.968 366 Y HN 0.168 nan 8.280 nan 0.000 0.504 367 L N -1.656 119.297 121.223 -0.449 0.000 2.109 367 L HA -0.200 4.141 4.340 0.001 0.000 0.207 367 L C 2.085 178.593 176.870 -0.602 0.000 1.086 367 L CA 0.999 55.371 54.840 -0.779 0.000 0.760 367 L CB -0.662 40.525 42.059 -1.453 0.000 0.910 367 L HN 0.220 nan 8.230 nan 0.000 0.437 368 Y N 0.073 120.203 120.300 -0.283 0.000 2.293 368 Y HA -0.182 4.369 4.550 0.001 0.000 0.291 368 Y C 2.644 178.434 175.900 -0.183 0.000 1.137 368 Y CA 1.147 59.192 58.100 -0.092 0.000 1.202 368 Y CB -0.243 38.199 38.460 -0.030 0.000 0.990 368 Y HN 0.017 nan 8.280 nan 0.000 0.537 369 R N -0.759 119.648 120.500 -0.155 0.000 2.193 369 R HA -0.071 4.269 4.340 0.001 0.000 0.213 369 R C 2.301 178.405 176.300 -0.326 0.000 1.055 369 R CA 0.936 56.908 56.100 -0.214 0.000 0.995 369 R CB -0.199 29.961 30.300 -0.233 0.000 0.893 369 R HN 0.363 nan 8.270 nan 0.000 0.459 370 M N 0.491 119.787 119.600 -0.507 0.000 2.156 370 M HA -0.122 4.358 4.480 0.001 0.000 0.264 370 M C 1.631 177.693 176.300 -0.396 0.000 1.067 370 M CA 1.685 56.624 55.300 -0.602 0.000 1.131 370 M CB 0.078 32.210 32.600 -0.781 0.000 1.368 370 M HN 0.161 nan 8.290 nan 0.000 0.416 371 L N -0.079 121.020 121.223 -0.208 0.000 2.046 371 L HA -0.127 4.213 4.340 0.001 0.000 0.208 371 L C 2.671 179.478 176.870 -0.105 0.000 1.077 371 L CA 1.345 56.133 54.840 -0.086 0.000 0.747 371 L CB -1.503 40.510 42.059 -0.077 0.000 0.896 371 L HN 0.497 nan 8.230 nan 0.000 0.432 372 G N -0.100 108.619 108.800 -0.136 0.000 2.469 372 G HA2 -0.268 3.693 3.960 0.001 0.000 0.219 372 G HA3 -0.268 3.693 3.960 0.001 0.000 0.219 372 G C 1.784 176.679 174.900 -0.008 0.000 1.150 372 G CA 0.611 45.665 45.100 -0.077 0.000 0.763 372 G HN 0.298 nan 8.290 nan 0.000 0.561 373 R N -1.073 119.392 120.500 -0.057 0.000 2.090 373 R HA 0.069 4.410 4.340 0.001 0.000 0.228 373 R C 2.355 178.744 176.300 0.149 0.000 1.110 373 R CA 0.885 56.996 56.100 0.018 0.000 0.973 373 R CB -0.393 29.859 30.300 -0.081 0.000 0.869 373 R HN 0.538 nan 8.270 nan 0.000 0.440 374 Y N 0.481 120.794 120.300 0.022 0.000 2.114 374 Y HA -0.218 4.332 4.550 0.001 0.000 0.284 374 Y C 2.673 178.579 175.900 0.009 0.000 1.143 374 Y CA 0.718 58.826 58.100 0.013 0.000 1.135 374 Y CB -0.058 38.388 38.460 -0.023 0.000 0.980 374 Y HN 0.018 nan 8.280 nan 0.000 0.499 375 R N -0.559 120.038 120.500 0.163 0.000 2.134 375 R HA -0.302 4.038 4.340 0.001 0.000 0.248 375 R C 2.156 178.511 176.300 0.093 0.000 1.143 375 R CA 2.395 58.547 56.100 0.086 0.000 0.957 375 R CB -0.809 29.529 30.300 0.063 0.000 0.867 375 R HN 0.445 nan 8.270 nan 0.000 0.441 376 Y N 1.087 121.398 120.300 0.019 0.000 2.163 376 Y HA -0.280 4.270 4.550 0.001 0.000 0.288 376 Y C 2.779 178.697 175.900 0.030 0.000 1.136 376 Y CA 1.878 59.988 58.100 0.017 0.000 1.147 376 Y CB -0.108 38.368 38.460 0.026 0.000 0.987 376 Y HN 0.137 nan 8.280 nan 0.000 0.509 377 Q N 0.185 120.032 119.800 0.078 0.000 2.077 377 Q HA -0.275 4.065 4.340 0.001 0.000 0.206 377 Q C 2.290 178.255 176.000 -0.058 0.000 0.989 377 Q CA 1.895 57.700 55.803 0.003 0.000 0.853 377 Q CB -0.396 28.416 28.738 0.124 0.000 0.907 377 Q HN 0.601 nan 8.270 nan 0.000 0.418 378 A N 0.462 123.269 122.820 -0.020 0.000 1.930 378 A HA -0.053 4.267 4.320 0.001 0.000 0.217 378 A C 2.233 179.781 177.584 -0.059 0.000 1.175 378 A CA 1.553 53.569 52.037 -0.035 0.000 0.627 378 A CB -0.795 18.185 19.000 -0.033 0.000 0.815 378 A HN 0.565 nan 8.150 nan 0.000 0.443 379 A N -0.339 122.415 122.820 -0.111 0.000 1.930 379 A HA 0.104 4.424 4.320 0.001 0.000 0.217 379 A C 1.588 179.132 177.584 -0.067 0.000 1.175 379 A CA 1.021 53.008 52.037 -0.082 0.000 0.627 379 A CB -0.426 18.448 19.000 -0.209 0.000 0.815 379 A HN 0.422 nan 8.150 nan 0.000 0.443 380 L N 0.371 121.468 121.223 -0.209 0.000 2.862 380 L HA 0.130 4.470 4.340 0.001 0.000 0.240 380 L C 0.325 177.127 176.870 -0.114 0.000 1.283 380 L CA 0.447 55.169 54.840 -0.198 0.000 1.117 380 L CB -0.682 41.154 42.059 -0.372 0.000 1.444 380 L HN 0.740 nan 8.230 nan 0.000 0.456 381 E N -2.060 118.098 120.200 -0.070 0.000 3.625 381 E HA 0.351 4.701 4.350 0.001 0.000 0.166 381 E C -0.273 176.309 176.600 -0.030 0.000 0.978 381 E CA -0.030 56.338 56.400 -0.052 0.000 1.429 381 E CB 0.053 29.713 29.700 -0.067 0.000 1.100 381 E HN 0.231 nan 8.360 nan 0.000 0.428 382 N N 0.000 118.695 118.700 -0.008 0.000 1.763 382 N HA 0.000 4.740 4.740 0.001 0.000 0.220 382 N CA 0.000 nan 53.050 nan 0.000 0.885 382 N CB 0.000 nan 38.487 nan 0.000 1.341 382 N HN 0.000 nan 8.380 nan 0.000 0.667