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 2y4m_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 DTLYTFVTVA DATA SEQUENCE AGVSIYECYI PEGKAHRLXX XLDDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE 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 0.000 174.452 174.600 -0.246 0.000 1.055 2 S CA 0.000 58.161 58.200 -0.064 0.000 1.107 2 S CB 0.000 63.211 63.200 0.018 0.000 0.593 3 L N 3.287 124.485 121.223 -0.041 0.000 2.295 3 L HA 0.831 5.171 4.340 -0.000 0.000 0.285 3 L C -1.164 175.637 176.870 -0.116 0.000 1.035 3 L CA -0.228 54.584 54.840 -0.048 0.000 0.806 3 L CB 1.348 43.537 42.059 0.216 0.000 1.214 3 L HN 0.455 nan 8.230 nan 0.000 0.426 4 V N 5.966 125.784 119.914 -0.160 0.000 2.417 4 V HA 0.530 4.650 4.120 -0.000 0.000 0.291 4 V C -0.405 175.477 176.094 -0.353 0.000 1.024 4 V CA -0.626 61.518 62.300 -0.259 0.000 0.861 4 V CB 1.823 33.503 31.823 -0.237 0.000 0.985 4 V HN 0.560 nan 8.190 nan 0.000 0.436 5 V N 5.533 125.126 119.914 -0.534 0.000 2.459 5 V HA 0.540 4.660 4.120 -0.000 0.000 0.295 5 V C -0.814 175.021 176.094 -0.432 0.000 1.029 5 V CA -0.498 61.553 62.300 -0.415 0.000 0.874 5 V CB 1.657 33.172 31.823 -0.514 0.000 0.985 5 V HN 0.694 nan 8.190 nan 0.000 0.438 6 F N 5.719 125.706 119.950 0.061 0.000 2.382 6 F HA 0.508 5.035 4.527 -0.000 0.000 0.361 6 F C -2.360 173.569 175.800 0.215 0.000 1.109 6 F CA -2.639 55.432 58.000 0.119 0.000 1.031 6 F CB 1.682 40.699 39.000 0.028 0.000 1.234 6 F HN 0.300 nan 8.300 nan 0.000 0.445 7 P HA 0.255 nan 4.420 nan 0.000 0.281 7 P C -1.013 176.476 177.300 0.314 0.000 1.252 7 P CA -0.235 63.027 63.100 0.271 0.000 0.778 7 P CB 0.479 32.288 31.700 0.180 0.000 0.895 8 F N 1.342 121.345 119.950 0.088 0.000 2.588 8 F HA 0.704 5.231 4.527 -0.000 0.000 0.310 8 F C 0.291 176.112 175.800 0.035 0.000 1.082 8 F CA -1.052 56.984 58.000 0.060 0.000 0.929 8 F CB 1.849 40.877 39.000 0.046 0.000 1.254 8 F HN 0.157 nan 8.300 nan 0.000 0.455 9 K N 0.730 121.160 120.400 0.050 0.000 3.233 9 K HA 0.353 4.673 4.320 -0.000 0.000 0.241 9 K C -0.578 175.994 176.600 -0.046 0.000 1.172 9 K CA -0.408 55.759 56.287 -0.201 0.000 1.272 9 K CB 0.246 32.496 32.500 -0.416 0.000 1.914 9 K HN 0.911 nan 8.250 nan 0.000 0.454 10 H N 1.576 120.693 119.070 0.078 0.000 2.539 10 H HA 0.257 4.813 4.556 -0.000 0.000 0.247 10 H C -1.030 174.298 175.328 -0.001 0.000 1.363 10 H CA -0.782 55.296 56.048 0.050 0.000 1.371 10 H CB 0.862 30.613 29.762 -0.019 0.000 1.438 10 H HN 0.149 nan 8.280 nan 0.000 0.523 11 E N 1.253 121.535 120.200 0.137 0.000 2.263 11 E HA 0.214 4.563 4.350 -0.000 0.000 0.264 11 E C -0.164 176.383 176.600 -0.088 0.000 0.923 11 E CA -0.926 55.474 56.400 0.002 0.000 0.802 11 E CB 1.463 31.202 29.700 0.065 0.000 1.228 11 E HN 0.552 nan 8.360 nan 0.000 0.417 12 H N 1.606 120.698 119.070 0.037 0.000 2.803 12 H HA 0.057 4.612 4.556 -0.000 0.000 0.330 12 H C -1.527 173.779 175.328 -0.037 0.000 1.057 12 H CA -1.350 54.700 56.048 0.004 0.000 1.458 12 H CB 0.469 30.229 29.762 -0.002 0.000 1.470 12 H HN 0.168 nan 8.280 nan 0.000 0.560 13 P HA -0.195 nan 4.420 nan 0.000 0.215 13 P C 1.626 178.899 177.300 -0.045 0.000 1.157 13 P CA 1.309 64.390 63.100 -0.032 0.000 0.868 13 P CB 0.327 32.016 31.700 -0.018 0.000 0.788 14 E N 0.327 120.522 120.200 -0.009 0.000 2.097 14 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 14 E C 1.907 178.491 176.600 -0.026 0.000 1.000 14 E CA 1.519 57.903 56.400 -0.027 0.000 0.804 14 E CB -1.656 28.023 29.700 -0.036 0.000 0.740 14 E HN 0.076 nan 8.360 nan 0.000 0.454 15 V N 1.692 121.602 119.914 -0.007 0.000 2.252 15 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 15 V C 2.668 178.714 176.094 -0.079 0.000 1.056 15 V CA 2.083 64.379 62.300 -0.006 0.000 1.022 15 V CB -0.784 31.067 31.823 0.047 0.000 0.641 15 V HN 0.246 nan 8.190 nan 0.000 0.445 16 L N -0.615 120.518 121.223 -0.151 0.000 2.044 16 L HA -0.037 4.303 4.340 -0.000 0.000 0.205 16 L C 2.197 178.846 176.870 -0.369 0.000 1.075 16 L CA 1.624 56.271 54.840 -0.322 0.000 0.747 16 L CB -0.591 41.250 42.059 -0.364 0.000 0.903 16 L HN 0.179 nan 8.230 nan 0.000 0.435 17 L N -0.452 120.630 121.223 -0.236 0.000 2.013 17 L HA -0.327 4.013 4.340 -0.000 0.000 0.212 17 L C 2.750 179.531 176.870 -0.149 0.000 1.073 17 L CA 1.956 56.683 54.840 -0.188 0.000 0.753 17 L CB -1.010 40.983 42.059 -0.110 0.000 0.890 17 L HN 0.542 nan 8.230 nan 0.000 0.432 18 H N 0.383 119.343 119.070 -0.182 0.000 2.319 18 H HA -0.207 4.349 4.556 -0.000 0.000 0.297 18 H C 1.985 177.214 175.328 -0.165 0.000 1.097 18 H CA 2.116 58.077 56.048 -0.144 0.000 1.285 18 H CB 0.176 29.869 29.762 -0.115 0.000 1.368 18 H HN 0.387 nan 8.280 nan 0.000 0.495 19 N N 0.383 118.827 118.700 -0.427 0.000 2.166 19 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 19 N C 2.224 177.439 175.510 -0.492 0.000 1.019 19 N CA 1.110 53.827 53.050 -0.556 0.000 0.856 19 N CB -0.456 37.494 38.487 -0.895 0.000 0.993 19 N HN 0.203 nan 8.380 nan 0.000 0.426 20 V N 1.344 120.922 119.914 -0.560 0.000 2.295 20 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 20 V C 2.378 178.406 176.094 -0.110 0.000 1.049 20 V CA 1.399 63.526 62.300 -0.288 0.000 1.024 20 V CB -0.417 31.250 31.823 -0.260 0.000 0.648 20 V HN 0.114 nan 8.190 nan 0.000 0.447 21 R N 0.139 120.555 120.500 -0.140 0.000 2.133 21 R HA -0.182 4.158 4.340 -0.000 0.000 0.245 21 R C 2.157 178.406 176.300 -0.085 0.000 1.137 21 R CA 1.880 57.924 56.100 -0.093 0.000 0.947 21 R CB -1.411 28.840 30.300 -0.083 0.000 0.865 21 R HN 0.412 nan 8.270 nan 0.000 0.437 22 V N 0.215 120.039 119.914 -0.150 0.000 2.287 22 V HA -0.281 3.838 4.120 -0.000 0.000 0.248 22 V C 2.272 178.359 176.094 -0.013 0.000 1.053 22 V CA 2.132 64.355 62.300 -0.128 0.000 1.027 22 V CB -0.907 30.783 31.823 -0.221 0.000 0.646 22 V HN 0.515 nan 8.190 nan 0.000 0.447 23 A N -0.356 122.534 122.820 0.116 0.000 1.930 23 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 23 A C 2.403 180.019 177.584 0.053 0.000 1.175 23 A CA 1.777 53.889 52.037 0.125 0.000 0.627 23 A CB -0.707 18.454 19.000 0.268 0.000 0.815 23 A HN 0.570 nan 8.150 nan 0.000 0.443 24 A N -0.076 122.769 122.820 0.041 0.000 1.933 24 A HA 0.157 4.476 4.320 -0.000 0.000 0.218 24 A C 2.324 179.912 177.584 0.008 0.000 1.175 24 A CA 1.918 53.965 52.037 0.016 0.000 0.628 24 A CB -0.798 18.206 19.000 0.007 0.000 0.814 24 A HN 1.083 nan 8.150 nan 0.000 0.444 25 A N -1.777 121.043 122.820 0.001 0.000 2.206 25 A HA 0.061 4.381 4.320 -0.000 0.000 0.211 25 A C 1.077 178.649 177.584 -0.020 0.000 1.158 25 A CA 0.083 52.109 52.037 -0.017 0.000 0.761 25 A CB -0.525 18.454 19.000 -0.035 0.000 0.801 25 A HN 0.617 nan 8.150 nan 0.000 0.473 26 H N 0.454 119.472 119.070 -0.086 0.000 2.646 26 H HA 0.212 4.768 4.556 -0.000 0.000 0.325 26 H C -1.979 173.292 175.328 -0.095 0.000 1.075 26 H CA -1.683 54.306 56.048 -0.098 0.000 1.421 26 H CB 1.359 31.045 29.762 -0.126 0.000 1.461 26 H HN 0.004 nan 8.280 nan 0.000 0.525 27 P HA -0.039 nan 4.420 nan 0.000 0.226 27 P C 0.546 177.847 177.300 0.001 0.000 1.146 27 P CA 1.160 64.201 63.100 -0.098 0.000 0.773 27 P CB 0.232 31.833 31.700 -0.165 0.000 0.772 28 R N -1.690 118.920 120.500 0.182 0.000 2.508 28 R HA 0.213 4.553 4.340 -0.000 0.000 0.300 28 R C -0.430 175.717 176.300 -0.254 0.000 0.970 28 R CA -0.092 55.997 56.100 -0.018 0.000 1.102 28 R CB 0.855 31.215 30.300 0.099 0.000 1.246 28 R HN 0.002 nan 8.270 nan 0.000 0.539 29 V N 1.154 120.945 119.914 -0.206 0.000 2.350 29 V HA 0.123 4.243 4.120 -0.000 0.000 0.276 29 V C 0.600 176.476 176.094 -0.363 0.000 1.028 29 V CA -0.338 61.785 62.300 -0.294 0.000 0.860 29 V CB 1.194 32.917 31.823 -0.167 0.000 0.990 29 V HN 0.316 nan 8.190 nan 0.000 0.453 30 H N 2.610 121.397 119.070 -0.471 0.000 2.448 30 H HA 0.220 4.775 4.556 -0.000 0.000 0.292 30 H C 0.860 175.851 175.328 -0.562 0.000 1.035 30 H CA 0.842 56.423 56.048 -0.779 0.000 1.349 30 H CB 0.782 29.383 29.762 -1.936 0.000 1.425 30 H HN 0.694 nan 8.280 nan 0.000 0.539 31 E N 0.079 120.090 120.200 -0.315 0.000 2.388 31 E HA 0.352 4.702 4.350 -0.000 0.000 0.280 31 E C -1.924 174.671 176.600 -0.008 0.000 1.019 31 E CA -0.606 55.777 56.400 -0.028 0.000 0.806 31 E CB 1.896 31.753 29.700 0.261 0.000 1.246 31 E HN -0.127 nan 8.360 nan 0.000 0.443 32 V N 3.173 123.117 119.914 0.050 0.000 2.540 32 V HA 0.531 4.651 4.120 -0.000 0.000 0.302 32 V C -0.913 175.205 176.094 0.041 0.000 1.035 32 V CA -0.824 61.507 62.300 0.052 0.000 0.873 32 V CB 1.461 33.345 31.823 0.102 0.000 0.992 32 V HN 0.590 nan 8.190 nan 0.000 0.428 33 L N 5.749 126.971 121.223 -0.001 0.000 2.349 33 L HA 0.694 5.034 4.340 -0.000 0.000 0.278 33 L C -0.454 176.439 176.870 0.039 0.000 0.996 33 L CA 0.077 54.872 54.840 -0.074 0.000 0.825 33 L CB 1.207 43.109 42.059 -0.263 0.000 1.243 33 L HN 0.743 nan 8.230 nan 0.000 0.412 34 C N 5.104 124.447 119.300 0.071 0.000 2.388 34 C HA 0.636 5.096 4.460 -0.000 0.000 0.362 34 C C 0.165 175.293 174.990 0.229 0.000 1.266 34 C CA -0.625 58.528 59.018 0.226 0.000 2.028 34 C CB 0.438 28.252 27.740 0.122 0.000 2.440 34 C HN 0.749 nan 8.230 nan 0.000 0.547 35 I N 2.860 123.590 120.570 0.267 0.000 2.466 35 I HA 0.569 4.738 4.170 -0.000 0.000 0.279 35 I C 0.407 176.312 176.117 -0.354 0.000 1.033 35 I CA 0.334 61.642 61.300 0.013 0.000 1.123 35 I CB 0.599 38.627 38.000 0.046 0.000 1.237 35 I HN 0.779 nan 8.210 nan 0.000 0.460 36 G N 4.744 113.149 108.800 -0.658 0.000 2.400 36 G HA2 0.159 4.119 3.960 -0.000 0.000 0.301 36 G HA3 0.159 4.119 3.960 -0.000 0.000 0.301 36 G C 0.024 174.646 174.900 -0.465 0.000 1.154 36 G CA -0.323 43.994 45.100 -1.304 0.000 0.852 36 G HN 0.650 nan 8.290 nan 0.000 0.511 37 Y N 0.834 120.819 120.300 -0.525 0.000 2.114 37 Y HA -0.016 4.534 4.550 -0.000 0.000 0.284 37 Y C 1.281 177.093 175.900 -0.146 0.000 1.143 37 Y CA 2.091 60.021 58.100 -0.283 0.000 1.135 37 Y CB 0.300 38.576 38.460 -0.307 0.000 0.980 37 Y HN 0.647 nan 8.280 nan 0.000 0.499 38 E N -0.485 119.730 120.200 0.026 0.000 2.412 38 E HA 0.212 4.562 4.350 -0.000 0.000 0.279 38 E C -1.147 175.521 176.600 0.113 0.000 0.984 38 E CA -1.126 55.276 56.400 0.004 0.000 0.788 38 E CB 0.900 30.640 29.700 0.067 0.000 1.277 38 E HN 0.137 nan 8.360 nan 0.000 0.455 39 R N 2.059 122.502 120.500 -0.094 0.000 2.498 39 R HA 0.016 4.356 4.340 -0.000 0.000 0.334 39 R C -0.746 175.557 176.300 0.006 0.000 1.106 39 R CA 0.592 56.521 56.100 -0.284 0.000 0.995 39 R CB -0.213 29.797 30.300 -0.484 0.000 0.989 39 R HN 0.575 nan 8.270 nan 0.000 0.455 40 D N 2.042 122.565 120.400 0.204 0.000 2.758 40 D HA 0.035 4.675 4.640 -0.000 0.000 0.262 40 D C 0.492 176.917 176.300 0.209 0.000 1.113 40 D CA -0.512 53.612 54.000 0.207 0.000 1.114 40 D CB 0.292 41.263 40.800 0.286 0.000 1.363 40 D HN 0.244 nan 8.370 nan 0.000 0.617 41 Q N -0.171 119.724 119.800 0.158 0.000 2.012 41 Q HA -0.155 4.184 4.340 -0.000 0.000 0.211 41 Q C 2.081 178.164 176.000 0.139 0.000 1.009 41 Q CA 2.677 58.553 55.803 0.121 0.000 0.866 41 Q CB -1.392 27.396 28.738 0.084 0.000 0.945 41 Q HN 0.682 nan 8.270 nan 0.000 0.414 42 T N 0.984 115.634 114.554 0.161 0.000 2.665 42 T HA -0.209 4.140 4.350 -0.000 0.000 0.268 42 T C 1.685 176.421 174.700 0.060 0.000 1.035 42 T CA 1.656 63.797 62.100 0.068 0.000 1.151 42 T CB -0.638 68.272 68.868 0.070 0.000 0.862 42 T HN 0.278 nan 8.240 nan 0.000 0.438 43 Y N 1.976 122.385 120.300 0.182 0.000 2.070 43 Y HA -0.165 4.385 4.550 -0.000 0.000 0.280 43 Y C 2.400 178.355 175.900 0.091 0.000 1.148 43 Y CA 1.493 59.733 58.100 0.233 0.000 1.125 43 Y CB -0.578 38.086 38.460 0.340 0.000 0.975 43 Y HN 0.283 nan 8.280 nan 0.000 0.492 44 E N -0.294 120.140 120.200 0.390 0.000 2.085 44 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 44 E C 2.360 179.037 176.600 0.128 0.000 0.994 44 E CA 1.244 57.786 56.400 0.238 0.000 0.801 44 E CB -0.433 29.349 29.700 0.137 0.000 0.743 44 E HN 0.545 nan 8.360 nan 0.000 0.453 45 A N 0.544 123.410 122.820 0.076 0.000 1.948 45 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 45 A C 2.418 179.987 177.584 -0.024 0.000 1.177 45 A CA 1.605 53.651 52.037 0.014 0.000 0.636 45 A CB -0.573 18.421 19.000 -0.010 0.000 0.815 45 A HN 0.154 nan 8.150 nan 0.000 0.449 46 V N -0.753 119.124 119.914 -0.062 0.000 2.379 46 V HA -0.167 3.953 4.120 -0.000 0.000 0.243 46 V C 2.355 178.420 176.094 -0.049 0.000 1.035 46 V CA 1.717 63.948 62.300 -0.115 0.000 1.035 46 V CB -0.759 30.910 31.823 -0.257 0.000 0.673 46 V HN 0.668 nan 8.190 nan 0.000 0.457 47 E N 0.213 120.420 120.200 0.012 0.000 2.147 47 E HA -0.312 4.038 4.350 -0.000 0.000 0.199 47 E C 2.438 179.071 176.600 0.055 0.000 1.005 47 E CA 1.780 58.223 56.400 0.072 0.000 0.810 47 E CB -0.014 29.807 29.700 0.201 0.000 0.736 47 E HN 0.431 nan 8.360 nan 0.000 0.460 48 R N -0.539 119.989 120.500 0.047 0.000 2.057 48 R HA -0.038 4.302 4.340 -0.000 0.000 0.229 48 R C 2.260 178.569 176.300 0.015 0.000 1.136 48 R CA 1.201 57.321 56.100 0.034 0.000 0.952 48 R CB -0.193 30.126 30.300 0.033 0.000 0.848 48 R HN 0.127 nan 8.270 nan 0.000 0.430 49 A N 0.636 123.455 122.820 -0.002 0.000 2.067 49 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 49 A C 2.197 179.776 177.584 -0.009 0.000 1.158 49 A CA 1.386 53.416 52.037 -0.012 0.000 0.661 49 A CB -0.603 18.378 19.000 -0.031 0.000 0.801 49 A HN 0.477 nan 8.150 nan 0.000 0.452 50 A N 1.163 123.979 122.820 -0.006 0.000 1.870 50 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 50 A C 0.506 178.099 177.584 0.016 0.000 1.224 50 A CA 2.144 54.183 52.037 0.003 0.000 0.650 50 A CB -1.938 17.070 19.000 0.013 0.000 0.836 50 A HN 0.494 nan 8.150 nan 0.000 0.454 51 P HA -0.196 nan 4.420 nan 0.000 0.215 51 P C 1.545 178.857 177.300 0.019 0.000 1.163 51 P CA 2.777 65.893 63.100 0.026 0.000 0.894 51 P CB -0.534 31.182 31.700 0.027 0.000 0.791 52 E N 0.217 120.425 120.200 0.013 0.000 2.097 52 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 52 E C 2.088 178.692 176.600 0.006 0.000 1.000 52 E CA 1.796 58.201 56.400 0.009 0.000 0.804 52 E CB -1.540 28.163 29.700 0.004 0.000 0.740 52 E HN 0.335 nan 8.360 nan 0.000 0.454 53 I N 0.641 121.213 120.570 0.003 0.000 2.233 53 I HA -0.183 3.987 4.170 -0.000 0.000 0.243 53 I C 2.784 178.908 176.117 0.010 0.000 1.093 53 I CA 1.341 62.641 61.300 0.001 0.000 1.380 53 I CB -0.202 37.793 38.000 -0.010 0.000 1.067 53 I HN 0.204 nan 8.210 nan 0.000 0.413 54 S N 0.688 116.399 115.700 0.020 0.000 2.387 54 S HA -0.261 4.209 4.470 -0.000 0.000 0.230 54 S C 2.511 177.129 174.600 0.030 0.000 1.035 54 S CA 1.935 60.154 58.200 0.032 0.000 1.014 54 S CB -0.702 62.524 63.200 0.044 0.000 0.836 54 S HN 0.574 nan 8.310 nan 0.000 0.466 55 R N 1.251 121.766 120.500 0.024 0.000 2.062 55 R HA 0.273 4.613 4.340 -0.000 0.000 0.231 55 R C 2.547 178.857 176.300 0.017 0.000 1.136 55 R CA 1.702 57.815 56.100 0.022 0.000 0.948 55 R CB -1.636 28.675 30.300 0.019 0.000 0.845 55 R HN 0.479 nan 8.270 nan 0.000 0.430 56 A N 0.732 123.559 122.820 0.012 0.000 1.948 56 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 56 A C 2.490 180.078 177.584 0.006 0.000 1.177 56 A CA 2.813 54.853 52.037 0.007 0.000 0.636 56 A CB -0.652 18.349 19.000 0.002 0.000 0.815 56 A HN 0.766 nan 8.150 nan 0.000 0.449 57 T N -6.332 108.228 114.554 0.009 0.000 2.969 57 T HA 0.437 4.787 4.350 -0.000 0.000 0.250 57 T C 1.418 176.127 174.700 0.016 0.000 1.021 57 T CA 1.067 63.171 62.100 0.007 0.000 1.003 57 T CB 0.324 69.195 68.868 0.004 0.000 1.040 57 T HN 1.796 nan 8.240 nan 0.000 0.492 58 G N 1.184 110.000 108.800 0.026 0.000 2.136 58 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.242 58 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.242 58 G C 0.059 174.990 174.900 0.051 0.000 0.989 58 G CA 0.185 45.309 45.100 0.039 0.000 0.682 58 G HN 0.769 nan 8.290 nan 0.000 0.522 59 T N 2.604 117.185 114.554 0.044 0.000 2.791 59 T HA 0.568 4.918 4.350 -0.000 0.000 0.288 59 T C -2.421 172.320 174.700 0.069 0.000 0.999 59 T CA -1.038 61.091 62.100 0.049 0.000 0.952 59 T CB 2.586 71.465 68.868 0.019 0.000 0.938 59 T HN 0.073 nan 8.240 nan 0.000 0.444 60 P HA 0.231 nan 4.420 nan 0.000 0.266 60 P C -0.972 176.391 177.300 0.106 0.000 1.195 60 P CA -0.268 62.908 63.100 0.126 0.000 0.768 60 P CB 0.495 32.315 31.700 0.200 0.000 0.838 61 V N 2.930 122.895 119.914 0.084 0.000 2.569 61 V HA 0.414 4.534 4.120 -0.000 0.000 0.301 61 V C -0.401 175.721 176.094 0.046 0.000 1.044 61 V CA -0.340 61.994 62.300 0.056 0.000 0.874 61 V CB 1.994 33.834 31.823 0.028 0.000 1.002 61 V HN 0.577 nan 8.190 nan 0.000 0.424 62 S N 3.331 119.045 115.700 0.024 0.000 2.548 62 S HA 0.828 5.298 4.470 -0.000 0.000 0.286 62 S C -0.703 173.862 174.600 -0.059 0.000 1.098 62 S CA -0.861 57.340 58.200 0.003 0.000 0.930 62 S CB 2.186 65.399 63.200 0.022 0.000 1.070 62 S HN 0.438 nan 8.310 nan 0.000 0.480 63 V N 2.493 122.367 119.914 -0.068 0.000 2.547 63 V HA 0.704 4.824 4.120 -0.000 0.000 0.299 63 V C -0.029 176.016 176.094 -0.083 0.000 1.040 63 V CA -0.778 61.426 62.300 -0.160 0.000 0.913 63 V CB 1.229 32.812 31.823 -0.401 0.000 0.992 63 V HN 0.790 nan 8.190 nan 0.000 0.449 64 R N 2.243 122.703 120.500 -0.067 0.000 2.855 64 R HA 0.626 4.966 4.340 -0.000 0.000 0.266 64 R C -1.683 174.693 176.300 0.127 0.000 1.034 64 R CA -1.034 55.112 56.100 0.076 0.000 0.944 64 R CB 2.097 32.422 30.300 0.041 0.000 1.219 64 R HN 0.438 nan 8.270 nan 0.000 0.474 65 L N 2.000 123.333 121.223 0.183 0.000 2.325 65 L HA 0.291 4.630 4.340 -0.000 0.000 0.279 65 L C 0.280 177.169 176.870 0.032 0.000 1.054 65 L CA -0.260 54.661 54.840 0.135 0.000 0.804 65 L CB 1.380 43.506 42.059 0.111 0.000 1.200 65 L HN 0.497 nan 8.230 nan 0.000 0.436 66 Q N 2.207 121.983 119.800 -0.039 0.000 2.337 66 Q HA 0.216 4.556 4.340 -0.000 0.000 0.270 66 Q C -0.825 175.150 176.000 -0.041 0.000 1.002 66 Q CA 0.023 55.801 55.803 -0.040 0.000 0.888 66 Q CB 0.881 29.571 28.738 -0.080 0.000 1.222 66 Q HN 0.542 nan 8.270 nan 0.000 0.400 67 E N 1.701 121.902 120.200 0.002 0.000 2.227 67 E HA 0.233 4.583 4.350 -0.000 0.000 0.268 67 E C -0.834 175.762 176.600 -0.006 0.000 0.990 67 E CA -1.069 55.330 56.400 -0.001 0.000 0.856 67 E CB 1.326 31.047 29.700 0.036 0.000 1.159 67 E HN 0.511 nan 8.360 nan 0.000 0.401 68 R N 2.426 122.915 120.500 -0.019 0.000 2.609 68 R HA 0.048 4.388 4.340 -0.000 0.000 0.271 68 R C -0.206 176.096 176.300 0.003 0.000 1.403 68 R CA 0.189 56.276 56.100 -0.022 0.000 1.138 68 R CB -0.262 30.017 30.300 -0.034 0.000 1.142 68 R HN 0.378 nan 8.270 nan 0.000 0.559 69 L N 2.443 123.678 121.223 0.019 0.000 2.554 69 L HA 0.406 4.746 4.340 -0.000 0.000 0.225 69 L C 1.127 178.002 176.870 0.009 0.000 1.104 69 L CA 0.658 55.519 54.840 0.034 0.000 0.866 69 L CB 0.522 42.633 42.059 0.087 0.000 1.047 69 L HN 0.702 nan 8.230 nan 0.000 0.468 70 G N -1.777 107.021 108.800 -0.003 0.000 3.108 70 G HA2 0.496 4.456 3.960 -0.000 0.000 0.268 70 G HA3 0.496 4.456 3.960 -0.000 0.000 0.268 70 G C 0.279 175.166 174.900 -0.021 0.000 1.361 70 G CA 0.500 45.591 45.100 -0.015 0.000 1.047 70 G HN 0.018 nan 8.290 nan 0.000 0.540 71 T N -2.452 112.088 114.554 -0.024 0.000 3.087 71 T HA 0.345 4.695 4.350 -0.000 0.000 0.283 71 T C 0.541 175.228 174.700 -0.022 0.000 0.956 71 T CA -0.126 61.961 62.100 -0.022 0.000 0.894 71 T CB 0.042 68.898 68.868 -0.020 0.000 1.160 71 T HN 0.166 nan 8.240 nan 0.000 0.532 72 L N 1.575 122.782 121.223 -0.026 0.000 2.855 72 L HA 0.542 4.882 4.340 -0.000 0.000 0.204 72 L C 1.077 177.932 176.870 -0.027 0.000 1.206 72 L CA -1.079 53.748 54.840 -0.023 0.000 0.942 72 L CB -0.109 41.936 42.059 -0.023 0.000 1.832 72 L HN 0.235 nan 8.230 nan 0.000 0.522 73 R N 2.101 122.586 120.500 -0.025 0.000 2.537 73 R HA 0.006 4.346 4.340 -0.000 0.000 0.281 73 R C -2.162 174.108 176.300 -0.051 0.000 0.988 73 R CA -0.949 55.133 56.100 -0.030 0.000 1.077 73 R CB 0.056 30.338 30.300 -0.030 0.000 0.932 73 R HN 0.266 nan 8.270 nan 0.000 0.409 74 P HA 0.095 nan 4.420 nan 0.000 0.268 74 P C -0.629 176.660 177.300 -0.019 0.000 1.282 74 P CA 0.138 63.214 63.100 -0.039 0.000 0.880 74 P CB 1.194 32.866 31.700 -0.046 0.000 0.971 75 G N 2.949 111.681 108.800 -0.113 0.000 3.195 75 G HA2 0.181 4.141 3.960 -0.000 0.000 0.217 75 G HA3 0.181 4.141 3.960 -0.000 0.000 0.217 75 G C 0.635 175.376 174.900 -0.266 0.000 1.166 75 G CA -0.390 44.566 45.100 -0.240 0.000 0.812 75 G HN 0.279 nan 8.290 nan 0.000 0.617 76 K N -0.279 119.835 120.400 -0.477 0.000 2.097 76 K HA -0.054 4.265 4.320 -0.000 0.000 0.206 76 K C 2.344 178.817 176.600 -0.212 0.000 1.049 76 K CA 1.843 57.922 56.287 -0.347 0.000 0.933 76 K CB -0.855 31.383 32.500 -0.437 0.000 0.717 76 K HN 0.432 nan 8.250 nan 0.000 0.442 77 G N 1.395 110.064 108.800 -0.220 0.000 2.505 77 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.220 77 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.220 77 G C 1.118 175.971 174.900 -0.077 0.000 1.145 77 G CA 1.319 46.321 45.100 -0.163 0.000 0.761 77 G HN 0.360 nan 8.290 nan 0.000 0.571 78 D N 0.441 120.798 120.400 -0.071 0.000 2.117 78 D HA -0.055 4.585 4.640 -0.000 0.000 0.197 78 D C 2.673 178.976 176.300 0.005 0.000 0.987 78 D CA 1.248 55.234 54.000 -0.023 0.000 0.829 78 D CB -0.752 40.019 40.800 -0.048 0.000 0.961 78 D HN 0.305 nan 8.370 nan 0.000 0.460 79 G N 0.503 109.288 108.800 -0.026 0.000 2.421 79 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 79 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 79 G C 1.684 176.638 174.900 0.090 0.000 1.171 79 G CA 0.637 45.741 45.100 0.007 0.000 0.775 79 G HN 0.205 nan 8.290 nan 0.000 0.543 80 M N 0.473 120.110 119.600 0.061 0.000 2.099 80 M HA -0.042 4.437 4.480 -0.000 0.000 0.262 80 M C 2.452 178.910 176.300 0.262 0.000 1.067 80 M CA 1.042 56.411 55.300 0.114 0.000 1.124 80 M CB -0.446 32.079 32.600 -0.125 0.000 1.353 80 M HN 0.122 nan 8.290 nan 0.000 0.410 81 N N 0.134 118.966 118.700 0.221 0.000 2.120 81 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 81 N C 1.679 177.354 175.510 0.275 0.000 1.024 81 N CA 1.753 54.982 53.050 0.298 0.000 0.852 81 N CB -0.736 37.902 38.487 0.251 0.000 1.003 81 N HN 0.315 nan 8.380 nan 0.000 0.424 82 T N 1.250 115.925 114.554 0.202 0.000 2.684 82 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 82 T C 1.985 176.798 174.700 0.189 0.000 1.036 82 T CA 1.553 63.756 62.100 0.173 0.000 1.148 82 T CB -0.441 68.498 68.868 0.119 0.000 0.863 82 T HN 0.355 nan 8.240 nan 0.000 0.436 83 A N 1.204 124.155 122.820 0.220 0.000 1.917 83 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 83 A C 2.216 179.965 177.584 0.275 0.000 1.182 83 A CA 1.296 53.477 52.037 0.240 0.000 0.633 83 A CB -0.874 18.297 19.000 0.286 0.000 0.819 83 A HN 0.344 nan 8.150 nan 0.000 0.448 84 L N -0.229 121.165 121.223 0.284 0.000 2.012 84 L HA -0.179 4.160 4.340 -0.000 0.000 0.210 84 L C 2.611 179.438 176.870 -0.071 0.000 1.073 84 L CA 2.340 57.298 54.840 0.196 0.000 0.748 84 L CB -0.820 41.375 42.059 0.227 0.000 0.891 84 L HN 0.558 nan 8.230 nan 0.000 0.431 85 R N -1.767 118.586 120.500 -0.245 0.000 2.070 85 R HA -0.255 4.085 4.340 -0.000 0.000 0.233 85 R C 2.472 178.713 176.300 -0.099 0.000 1.137 85 R CA 1.815 57.651 56.100 -0.440 0.000 0.945 85 R CB -0.714 29.460 30.300 -0.209 0.000 0.845 85 R HN 0.346 nan 8.270 nan 0.000 0.430 86 Y N 0.672 120.954 120.300 -0.031 0.000 2.114 86 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 86 Y C 2.005 177.943 175.900 0.063 0.000 1.165 86 Y CA 2.138 60.255 58.100 0.029 0.000 1.148 86 Y CB -0.636 37.872 38.460 0.081 0.000 0.972 86 Y HN 0.185 nan 8.280 nan 0.000 0.504 87 F N 0.290 120.347 119.950 0.179 0.000 2.069 87 F HA -0.262 4.265 4.527 -0.000 0.000 0.298 87 F C 1.862 177.634 175.800 -0.047 0.000 1.113 87 F CA 2.006 60.076 58.000 0.118 0.000 1.214 87 F CB -0.810 38.243 39.000 0.088 0.000 0.978 87 F HN 0.073 nan 8.300 nan 0.000 0.474 88 L N -0.610 120.476 121.223 -0.228 0.000 2.179 88 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 88 L C 2.063 178.746 176.870 -0.313 0.000 1.096 88 L CA 1.321 55.937 54.840 -0.373 0.000 0.779 88 L CB -0.436 41.471 42.059 -0.253 0.000 0.922 88 L HN 0.145 nan 8.230 nan 0.000 0.443 89 E N -0.768 119.267 120.200 -0.274 0.000 2.413 89 E HA -0.003 4.347 4.350 -0.000 0.000 0.203 89 E C 0.969 177.393 176.600 -0.293 0.000 0.957 89 E CA 0.134 56.393 56.400 -0.235 0.000 0.950 89 E CB 0.554 30.158 29.700 -0.160 0.000 0.957 89 E HN 0.413 nan 8.360 nan 0.000 0.497 90 E N 0.420 120.363 120.200 -0.429 0.000 2.583 90 E HA 0.054 4.404 4.350 -0.000 0.000 0.213 90 E C 0.022 176.310 176.600 -0.520 0.000 0.989 90 E CA 0.094 56.181 56.400 -0.521 0.000 0.991 90 E CB 1.330 30.545 29.700 -0.808 0.000 1.040 90 E HN 0.025 nan 8.360 nan 0.000 0.481 91 T N -2.185 112.075 114.554 -0.491 0.000 2.868 91 T HA 0.307 4.657 4.350 -0.000 0.000 0.306 91 T C -0.328 174.001 174.700 -0.618 0.000 1.224 91 T CA -0.702 61.034 62.100 -0.607 0.000 1.012 91 T CB 2.176 70.752 68.868 -0.487 0.000 1.221 91 T HN -0.136 nan 8.240 nan 0.000 0.499 92 Q N 0.388 119.725 119.800 -0.772 0.000 2.135 92 Q HA 0.371 4.711 4.340 -0.000 0.000 0.222 92 Q C -1.074 174.731 176.000 -0.326 0.000 0.808 92 Q CA -0.653 54.846 55.803 -0.507 0.000 1.049 92 Q CB 0.211 28.701 28.738 -0.414 0.000 1.168 92 Q HN 0.739 nan 8.270 nan 0.000 0.483 93 W N 0.908 122.162 121.300 -0.075 0.000 2.181 93 W HA 0.101 4.761 4.660 -0.000 0.000 0.335 93 W C 1.240 177.845 176.519 0.142 0.000 1.310 93 W CA -0.561 56.851 57.345 0.111 0.000 1.226 93 W CB 0.771 30.437 29.460 0.344 0.000 1.155 93 W HN 0.149 nan 8.180 nan 0.000 0.565 94 E N 1.518 122.000 120.200 0.469 0.000 2.208 94 E HA -0.031 4.319 4.350 -0.000 0.000 0.193 94 E C 0.377 177.223 176.600 0.410 0.000 0.988 94 E CA 1.024 57.622 56.400 0.331 0.000 0.828 94 E CB 0.153 30.006 29.700 0.255 0.000 0.763 94 E HN 0.467 nan 8.360 nan 0.000 0.478 95 R N -0.091 120.681 120.500 0.454 0.000 2.725 95 R HA 0.568 4.908 4.340 -0.000 0.000 0.277 95 R C -0.784 175.503 176.300 -0.022 0.000 0.987 95 R CA -0.506 55.720 56.100 0.209 0.000 0.901 95 R CB 2.507 32.849 30.300 0.069 0.000 1.207 95 R HN -0.053 nan 8.270 nan 0.000 0.463 96 I N 1.864 122.174 120.570 -0.433 0.000 2.498 96 I HA 0.401 4.571 4.170 -0.000 0.000 0.290 96 I C -0.796 175.005 176.117 -0.526 0.000 1.032 96 I CA -0.609 60.253 61.300 -0.731 0.000 1.073 96 I CB 1.289 38.338 38.000 -1.584 0.000 1.251 96 I HN 0.654 nan 8.210 nan 0.000 0.426 97 H N 6.609 125.394 119.070 -0.474 0.000 2.502 97 H HA 0.427 4.983 4.556 -0.000 0.000 0.338 97 H C -1.456 173.430 175.328 -0.736 0.000 1.155 97 H CA -0.386 55.403 56.048 -0.431 0.000 1.237 97 H CB 1.912 31.545 29.762 -0.214 0.000 1.534 97 H HN 0.395 nan 8.280 nan 0.000 0.523 98 F N 1.240 120.946 119.950 -0.405 0.000 2.520 98 F HA 0.335 4.862 4.527 -0.000 0.000 0.322 98 F C -0.837 174.517 175.800 -0.742 0.000 1.103 98 F CA -0.615 57.138 58.000 -0.413 0.000 0.926 98 F CB 1.371 40.264 39.000 -0.180 0.000 1.154 98 F HN 0.392 nan 8.300 nan 0.000 0.453 99 Y N 0.769 121.053 120.300 -0.026 0.000 2.433 99 Y HA 0.295 4.845 4.550 -0.000 0.000 0.337 99 Y C -0.492 175.476 175.900 0.113 0.000 1.026 99 Y CA -1.567 56.535 58.100 0.003 0.000 1.037 99 Y CB 1.238 39.557 38.460 -0.234 0.000 1.245 99 Y HN 0.448 nan 8.280 nan 0.000 0.443 100 D N 1.293 121.872 120.400 0.299 0.000 2.472 100 D HA 0.140 4.780 4.640 -0.000 0.000 0.237 100 D C 0.921 177.385 176.300 0.273 0.000 1.141 100 D CA 0.548 54.701 54.000 0.255 0.000 0.875 100 D CB 1.412 42.313 40.800 0.168 0.000 1.192 100 D HN 0.777 nan 8.370 nan 0.000 0.450 101 A N 2.903 125.882 122.820 0.265 0.000 1.969 101 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 101 A C 1.523 179.139 177.584 0.054 0.000 1.169 101 A CA 1.386 53.510 52.037 0.145 0.000 0.635 101 A CB -0.233 18.875 19.000 0.180 0.000 0.810 101 A HN 0.639 nan 8.150 nan 0.000 0.445 102 D N 0.034 120.505 120.400 0.118 0.000 2.350 102 D HA -0.027 4.612 4.640 -0.000 0.000 0.216 102 D C 0.660 177.032 176.300 0.122 0.000 0.968 102 D CA 0.049 54.127 54.000 0.129 0.000 0.894 102 D CB -0.758 40.158 40.800 0.194 0.000 0.909 102 D HN 0.473 nan 8.370 nan 0.000 0.520 103 I N 1.424 122.042 120.570 0.080 0.000 2.775 103 I HA -0.094 4.076 4.170 -0.000 0.000 0.290 103 I C 1.508 177.645 176.117 0.034 0.000 1.203 103 I CA 0.887 62.223 61.300 0.059 0.000 1.433 103 I CB 0.817 38.811 38.000 -0.009 0.000 1.354 103 I HN 0.076 nan 8.210 nan 0.000 0.579 104 T N -1.193 113.404 114.554 0.071 0.000 3.043 104 T HA 0.076 4.426 4.350 -0.000 0.000 0.272 104 T C 0.807 175.548 174.700 0.068 0.000 0.990 104 T CA 0.238 62.376 62.100 0.064 0.000 0.897 104 T CB 0.065 68.962 68.868 0.048 0.000 1.111 104 T HN 0.610 nan 8.240 nan 0.000 0.529 105 S N 0.361 116.106 115.700 0.074 0.000 2.602 105 S HA 0.407 4.877 4.470 -0.000 0.000 0.240 105 S C -0.020 174.508 174.600 -0.120 0.000 0.992 105 S CA -0.779 57.477 58.200 0.093 0.000 0.971 105 S CB -0.747 62.597 63.200 0.240 0.000 0.855 105 S HN 0.320 nan 8.310 nan 0.000 0.481 106 F N 3.123 122.697 119.950 -0.626 0.000 2.595 106 F HA 0.480 5.007 4.527 -0.000 0.000 0.359 106 F C 0.883 176.188 175.800 -0.826 0.000 1.147 106 F CA 0.520 57.778 58.000 -1.235 0.000 1.341 106 F CB 0.156 38.659 39.000 -0.828 0.000 1.104 106 F HN 0.365 nan 8.300 nan 0.000 0.603 107 G N 4.727 112.604 108.800 -1.539 0.000 2.692 107 G HA2 0.426 4.386 3.960 -0.000 0.000 0.291 107 G HA3 0.426 4.386 3.960 -0.000 0.000 0.291 107 G C -2.699 171.753 174.900 -0.746 0.000 1.423 107 G CA -0.957 43.678 45.100 -0.775 0.000 0.843 107 G HN 0.295 nan 8.290 nan 0.000 0.486 108 P HA -0.048 nan 4.420 nan 0.000 0.222 108 P C 0.784 178.102 177.300 0.029 0.000 1.147 108 P CA 1.054 64.086 63.100 -0.113 0.000 0.790 108 P CB 0.437 32.133 31.700 -0.008 0.000 0.780 109 D N -1.545 118.888 120.400 0.054 0.000 2.264 109 D HA -0.138 4.502 4.640 -0.000 0.000 0.208 109 D C 1.471 177.924 176.300 0.254 0.000 0.966 109 D CA 0.733 54.832 54.000 0.165 0.000 0.864 109 D CB -0.436 40.458 40.800 0.156 0.000 0.933 109 D HN 0.009 nan 8.370 nan 0.000 0.499 110 W N 0.729 121.953 121.300 -0.127 0.000 2.355 110 W HA -0.002 4.658 4.660 -0.000 0.000 0.309 110 W C 2.270 178.870 176.519 0.135 0.000 1.206 110 W CA 0.355 57.691 57.345 -0.015 0.000 1.284 110 W CB -1.040 28.255 29.460 -0.275 0.000 1.145 110 W HN 0.038 nan 8.180 nan 0.000 0.502 111 I N -0.365 120.268 120.570 0.104 0.000 2.179 111 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 111 I C 2.248 178.415 176.117 0.084 0.000 1.088 111 I CA 1.788 63.071 61.300 -0.029 0.000 1.357 111 I CB -1.087 36.511 38.000 -0.670 0.000 1.051 111 I HN -0.080 nan 8.210 nan 0.000 0.409 112 T N 0.710 115.345 114.554 0.136 0.000 2.684 112 T HA -0.217 4.132 4.350 -0.000 0.000 0.267 112 T C 1.917 176.728 174.700 0.186 0.000 1.036 112 T CA 1.430 63.666 62.100 0.227 0.000 1.148 112 T CB -0.209 68.812 68.868 0.255 0.000 0.863 112 T HN 0.294 nan 8.240 nan 0.000 0.436 113 K N 0.896 121.412 120.400 0.193 0.000 2.057 113 K HA 0.018 4.338 4.320 -0.000 0.000 0.207 113 K C 2.655 179.339 176.600 0.139 0.000 1.049 113 K CA 1.215 57.593 56.287 0.152 0.000 0.931 113 K CB -0.267 32.317 32.500 0.139 0.000 0.714 113 K HN 0.297 nan 8.250 nan 0.000 0.440 114 A N 1.490 124.428 122.820 0.196 0.000 1.897 114 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 114 A C 1.936 179.591 177.584 0.117 0.000 1.181 114 A CA 1.227 53.339 52.037 0.124 0.000 0.620 114 A CB -0.237 18.891 19.000 0.213 0.000 0.821 114 A HN 0.157 nan 8.150 nan 0.000 0.443 115 E N 0.166 120.474 120.200 0.180 0.000 2.085 115 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 115 E C 1.894 178.564 176.600 0.116 0.000 0.994 115 E CA 1.518 58.003 56.400 0.141 0.000 0.801 115 E CB -0.326 29.472 29.700 0.163 0.000 0.743 115 E HN 0.768 nan 8.360 nan 0.000 0.453 116 E N 0.430 120.698 120.200 0.114 0.000 2.106 116 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 116 E C 1.996 178.650 176.600 0.090 0.000 0.984 116 E CA 0.802 57.260 56.400 0.097 0.000 0.806 116 E CB -0.043 29.706 29.700 0.081 0.000 0.750 116 E HN 0.188 nan 8.360 nan 0.000 0.458 117 A N 1.268 124.120 122.820 0.053 0.000 1.969 117 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 117 A C 2.317 180.036 177.584 0.224 0.000 1.169 117 A CA 1.532 53.592 52.037 0.038 0.000 0.635 117 A CB -0.448 18.498 19.000 -0.090 0.000 0.810 117 A HN 0.293 nan 8.150 nan 0.000 0.445 118 A N 0.218 123.130 122.820 0.153 0.000 1.873 118 A HA -0.135 4.184 4.320 -0.000 0.000 0.215 118 A C 1.733 179.394 177.584 0.128 0.000 1.186 118 A CA 1.718 53.842 52.037 0.145 0.000 0.616 118 A CB -0.614 18.434 19.000 0.080 0.000 0.823 118 A HN 0.418 nan 8.150 nan 0.000 0.442 119 D N -0.809 119.664 120.400 0.121 0.000 2.172 119 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 119 D C 1.461 177.827 176.300 0.109 0.000 0.999 119 D CA 1.284 55.345 54.000 0.102 0.000 0.856 119 D CB -0.484 40.381 40.800 0.108 0.000 0.934 119 D HN 0.458 nan 8.370 nan 0.000 0.453 120 F N -0.151 119.789 119.950 -0.016 0.000 2.408 120 F HA 0.031 4.558 4.527 -0.000 0.000 0.300 120 F C 1.789 177.491 175.800 -0.162 0.000 1.090 120 F CA 1.576 59.534 58.000 -0.070 0.000 1.427 120 F CB 0.286 39.253 39.000 -0.054 0.000 1.070 120 F HN 0.117 nan 8.300 nan 0.000 0.549 121 G N -2.190 106.557 108.800 -0.089 0.000 2.318 121 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.172 121 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.172 121 G C -0.095 174.695 174.900 -0.183 0.000 1.002 121 G CA -0.295 44.675 45.100 -0.217 0.000 0.697 121 G HN 0.205 nan 8.290 nan 0.000 0.483 122 Y N 1.036 121.375 120.300 0.065 0.000 2.397 122 Y HA 0.424 4.974 4.550 -0.000 0.000 0.335 122 Y C 1.860 177.783 175.900 0.039 0.000 1.213 122 Y CA 1.198 59.338 58.100 0.068 0.000 1.391 122 Y CB 1.281 39.803 38.460 0.102 0.000 1.293 122 Y HN 0.057 nan 8.280 nan 0.000 0.557 123 G N 2.480 111.394 108.800 0.191 0.000 2.453 123 G HA2 0.022 3.982 3.960 -0.000 0.000 0.215 123 G HA3 0.022 3.982 3.960 -0.000 0.000 0.215 123 G C -0.058 174.891 174.900 0.082 0.000 1.147 123 G CA 0.200 45.361 45.100 0.101 0.000 0.802 123 G HN 0.472 nan 8.290 nan 0.000 0.535 124 L N 0.899 122.182 121.223 0.099 0.000 2.455 124 L HA 0.633 4.973 4.340 -0.000 0.000 0.264 124 L C -1.682 175.216 176.870 0.046 0.000 0.968 124 L CA -0.599 54.267 54.840 0.042 0.000 0.827 124 L CB 2.425 44.493 42.059 0.016 0.000 1.317 124 L HN -0.143 nan 8.230 nan 0.000 0.407 125 V N 5.118 125.028 119.914 -0.007 0.000 2.407 125 V HA 0.520 4.640 4.120 -0.000 0.000 0.291 125 V C -0.182 175.846 176.094 -0.110 0.000 1.018 125 V CA -0.645 61.625 62.300 -0.051 0.000 0.842 125 V CB 1.854 33.638 31.823 -0.064 0.000 0.996 125 V HN 0.718 nan 8.190 nan 0.000 0.426 126 R N 3.871 124.303 120.500 -0.113 0.000 2.294 126 R HA 0.494 4.834 4.340 -0.000 0.000 0.319 126 R C -0.547 175.669 176.300 -0.139 0.000 0.984 126 R CA -0.674 55.380 56.100 -0.077 0.000 0.861 126 R CB 1.052 31.330 30.300 -0.037 0.000 1.104 126 R HN 0.710 nan 8.270 nan 0.000 0.451 127 H N 3.939 122.984 119.070 -0.043 0.000 2.690 127 H HA 0.062 4.618 4.556 -0.000 0.000 0.314 127 H C -0.361 174.729 175.328 -0.396 0.000 1.069 127 H CA 0.012 55.907 56.048 -0.255 0.000 1.436 127 H CB 0.624 30.215 29.762 -0.286 0.000 1.462 127 H HN 0.569 nan 8.280 nan 0.000 0.511 128 Y N 1.900 121.844 120.300 -0.593 0.000 2.621 128 Y HA 0.675 5.225 4.550 -0.000 0.000 0.334 128 Y C -1.670 173.678 175.900 -0.920 0.000 1.074 128 Y CA -1.911 55.843 58.100 -0.577 0.000 1.149 128 Y CB 1.056 39.432 38.460 -0.141 0.000 1.302 128 Y HN 0.269 nan 8.280 nan 0.000 0.501 129 F N 0.487 120.355 119.950 -0.136 0.000 2.613 129 F HA 0.604 5.130 4.527 -0.000 0.000 0.310 129 F C -2.568 173.201 175.800 -0.052 0.000 1.085 129 F CA -2.478 55.325 58.000 -0.328 0.000 0.945 129 F CB 1.933 40.840 39.000 -0.154 0.000 1.298 129 F HN 0.340 nan 8.300 nan 0.000 0.455 130 P HA 0.190 nan 4.420 nan 0.000 0.268 130 P C -0.830 176.639 177.300 0.282 0.000 1.205 130 P CA -0.127 63.139 63.100 0.278 0.000 0.771 130 P CB 0.831 32.639 31.700 0.179 0.000 0.858 131 R N 1.062 121.769 120.500 0.345 0.000 2.795 131 R HA 0.672 5.012 4.340 -0.000 0.000 0.275 131 R C -0.254 176.258 176.300 0.353 0.000 0.981 131 R CA -1.163 55.123 56.100 0.310 0.000 0.917 131 R CB 1.737 32.233 30.300 0.327 0.000 1.202 131 R HN 0.533 nan 8.270 nan 0.000 0.469 132 A N 0.632 123.618 122.820 0.277 0.000 2.386 132 A HA 0.181 4.500 4.320 -0.000 0.000 0.248 132 A C 1.194 178.929 177.584 0.252 0.000 1.082 132 A CA 0.271 52.483 52.037 0.291 0.000 0.789 132 A CB 0.214 19.323 19.000 0.183 0.000 1.025 132 A HN 0.834 nan 8.150 nan 0.000 0.490 133 S N 0.193 116.023 115.700 0.216 0.000 2.469 133 S HA -0.134 4.335 4.470 -0.000 0.000 0.238 133 S C 1.123 175.825 174.600 0.171 0.000 0.998 133 S CA 1.597 59.841 58.200 0.073 0.000 0.957 133 S CB -0.691 62.490 63.200 -0.031 0.000 0.764 133 S HN 1.272 nan 8.310 nan 0.000 0.514 134 T N -1.970 112.690 114.554 0.177 0.000 3.129 134 T HA 0.309 4.659 4.350 -0.000 0.000 0.267 134 T C -0.245 174.577 174.700 0.203 0.000 1.018 134 T CA -0.637 61.599 62.100 0.227 0.000 0.903 134 T CB -0.041 68.960 68.868 0.223 0.000 1.067 134 T HN 0.054 nan 8.240 nan 0.000 0.549 135 D N 1.680 122.191 120.400 0.185 0.000 2.354 135 D HA 0.558 5.198 4.640 -0.000 0.000 0.247 135 D C 0.920 177.346 176.300 0.211 0.000 1.138 135 D CA 0.444 54.559 54.000 0.192 0.000 0.958 135 D CB 1.094 42.017 40.800 0.205 0.000 1.144 135 D HN 0.371 nan 8.370 nan 0.000 0.458 136 A N 1.317 124.264 122.820 0.211 0.000 2.791 136 A HA -0.211 4.109 4.320 -0.000 0.000 0.292 136 A C 1.346 179.101 177.584 0.285 0.000 1.487 136 A CA 0.663 52.838 52.037 0.230 0.000 0.760 136 A CB -1.566 17.594 19.000 0.267 0.000 1.031 136 A HN 0.438 nan 8.150 nan 0.000 0.503 137 M N -1.208 118.536 119.600 0.240 0.000 2.492 137 M HA 0.084 4.563 4.480 -0.000 0.000 0.262 137 M C 1.947 178.525 176.300 0.463 0.000 1.090 137 M CA 1.211 56.650 55.300 0.231 0.000 1.110 137 M CB -0.758 31.840 32.600 -0.004 0.000 1.407 137 M HN 0.724 nan 8.290 nan 0.000 0.470 138 I N -0.375 120.414 120.570 0.366 0.000 2.193 138 I HA -0.231 3.939 4.170 -0.000 0.000 0.240 138 I C 2.244 178.412 176.117 0.086 0.000 1.084 138 I CA 1.172 62.553 61.300 0.136 0.000 1.365 138 I CB -0.675 37.254 38.000 -0.118 0.000 1.064 138 I HN 0.210 nan 8.210 nan 0.000 0.410 139 T N 0.072 114.640 114.554 0.022 0.000 2.624 139 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 139 T C 1.448 176.041 174.700 -0.179 0.000 1.041 139 T CA 2.057 64.081 62.100 -0.126 0.000 1.159 139 T CB -0.451 68.291 68.868 -0.209 0.000 0.863 139 T HN 0.382 nan 8.240 nan 0.000 0.434 140 W N 0.406 121.695 121.300 -0.017 0.000 2.407 140 W HA 0.111 4.771 4.660 -0.000 0.000 0.305 140 W C 2.435 178.970 176.519 0.028 0.000 1.196 140 W CA 0.354 57.662 57.345 -0.062 0.000 1.311 140 W CB -0.187 29.163 29.460 -0.183 0.000 1.135 140 W HN 0.127 nan 8.180 nan 0.000 0.514 141 M N -1.097 118.705 119.600 0.336 0.000 2.501 141 M HA 0.028 4.508 4.480 -0.000 0.000 0.261 141 M C 1.485 178.175 176.300 0.650 0.000 1.129 141 M CA 0.993 56.522 55.300 0.383 0.000 1.126 141 M CB -0.678 31.976 32.600 0.090 0.000 1.359 141 M HN 0.001 nan 8.290 nan 0.000 0.471 142 I N -0.802 120.037 120.570 0.448 0.000 3.196 142 I HA -0.010 4.160 4.170 -0.000 0.000 0.248 142 I C 2.087 178.323 176.117 0.197 0.000 1.105 142 I CA 1.123 62.683 61.300 0.434 0.000 1.482 142 I CB -1.319 36.800 38.000 0.198 0.000 1.400 142 I HN 0.138 nan 8.210 nan 0.000 0.464 143 T N 1.707 116.248 114.554 -0.022 0.000 2.668 143 T HA -0.090 4.260 4.350 -0.000 0.000 0.262 143 T C 2.028 176.511 174.700 -0.362 0.000 1.045 143 T CA 1.228 63.155 62.100 -0.289 0.000 1.152 143 T CB -0.245 68.438 68.868 -0.308 0.000 0.864 143 T HN 0.200 nan 8.240 nan 0.000 0.419 144 R N 0.659 121.042 120.500 -0.196 0.000 2.092 144 R HA -0.027 4.313 4.340 -0.000 0.000 0.231 144 R C 2.779 179.082 176.300 0.006 0.000 1.119 144 R CA 1.455 57.492 56.100 -0.105 0.000 0.970 144 R CB -0.798 29.333 30.300 -0.282 0.000 0.864 144 R HN 0.330 nan 8.270 nan 0.000 0.440 145 T N 0.201 114.774 114.554 0.032 0.000 2.708 145 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 145 T C 1.902 176.415 174.700 -0.312 0.000 1.037 145 T CA 1.572 63.666 62.100 -0.010 0.000 1.146 145 T CB -0.521 68.389 68.868 0.070 0.000 0.865 145 T HN 0.531 nan 8.240 nan 0.000 0.435 146 G N 0.992 109.595 108.800 -0.329 0.000 2.459 146 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 146 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 146 G C 1.252 176.189 174.900 0.063 0.000 1.183 146 G CA 0.495 45.443 45.100 -0.253 0.000 0.776 146 G HN 0.379 nan 8.290 nan 0.000 0.552 147 F N 1.948 121.986 119.950 0.147 0.000 2.161 147 F HA -0.002 4.525 4.527 -0.000 0.000 0.300 147 F C 3.001 178.930 175.800 0.216 0.000 1.089 147 F CA 0.330 58.523 58.000 0.322 0.000 1.282 147 F CB -0.938 38.192 39.000 0.216 0.000 1.010 147 F HN 0.275 nan 8.300 nan 0.000 0.485 148 A N -0.045 122.933 122.820 0.264 0.000 1.872 148 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 148 A C 2.310 179.939 177.584 0.076 0.000 1.187 148 A CA 1.167 53.301 52.037 0.161 0.000 0.614 148 A CB -0.996 18.090 19.000 0.143 0.000 0.826 148 A HN 0.351 nan 8.150 nan 0.000 0.442 149 L N -0.935 120.242 121.223 -0.076 0.000 2.156 149 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 149 L C 2.321 179.108 176.870 -0.138 0.000 1.095 149 L CA 0.721 55.464 54.840 -0.161 0.000 0.770 149 L CB -0.290 41.511 42.059 -0.429 0.000 0.914 149 L HN 0.349 nan 8.230 nan 0.000 0.439 150 L N -2.291 118.811 121.223 -0.202 0.000 2.316 150 L HA 0.026 4.366 4.340 -0.000 0.000 0.207 150 L C 0.679 177.144 176.870 -0.676 0.000 1.070 150 L CA 0.269 54.744 54.840 -0.608 0.000 0.820 150 L CB 0.132 41.455 42.059 -1.227 0.000 0.992 150 L HN 0.331 nan 8.230 nan 0.000 0.466 151 W N 0.717 122.109 121.300 0.153 0.000 1.602 151 W HA 0.284 4.943 4.660 -0.000 0.000 0.294 151 W C -1.828 174.764 176.519 0.121 0.000 0.838 151 W CA -1.330 56.102 57.345 0.144 0.000 2.320 151 W CB -0.163 29.378 29.460 0.135 0.000 2.318 151 W HN 0.002 nan 8.180 nan 0.000 0.467 152 P HA -0.233 nan 4.420 nan 0.000 0.217 152 P C 1.091 178.418 177.300 0.045 0.000 1.148 152 P CA 1.843 64.997 63.100 0.090 0.000 0.828 152 P CB 0.119 31.793 31.700 -0.044 0.000 0.783 153 H N -0.804 118.406 119.070 0.234 0.000 2.547 153 H HA 0.095 4.651 4.556 -0.000 0.000 0.266 153 H C 1.108 176.547 175.328 0.185 0.000 0.988 153 H CA 0.926 57.092 56.048 0.198 0.000 1.147 153 H CB -0.271 29.575 29.762 0.139 0.000 1.365 153 H HN 0.275 nan 8.280 nan 0.000 0.589 154 T N -1.938 112.788 114.554 0.287 0.000 2.923 154 T HA 0.158 4.508 4.350 -0.000 0.000 0.281 154 T C 1.176 175.990 174.700 0.190 0.000 0.995 154 T CA -0.751 61.451 62.100 0.170 0.000 0.985 154 T CB 2.230 71.139 68.868 0.068 0.000 1.114 154 T HN -0.083 nan 8.240 nan 0.000 0.548 155 E N -0.395 119.847 120.200 0.070 0.000 2.482 155 E HA 0.134 4.484 4.350 -0.000 0.000 0.196 155 E C 1.745 178.394 176.600 0.082 0.000 1.047 155 E CA 0.372 56.840 56.400 0.112 0.000 0.869 155 E CB -0.826 28.860 29.700 -0.023 0.000 0.836 155 E HN 0.668 nan 8.360 nan 0.000 0.520 156 L N 0.117 121.288 121.223 -0.087 0.000 1.990 156 L HA -0.266 4.074 4.340 -0.000 0.000 0.213 156 L C 2.282 179.131 176.870 -0.035 0.000 1.072 156 L CA 1.836 56.471 54.840 -0.342 0.000 0.755 156 L CB -0.659 40.948 42.059 -0.754 0.000 0.889 156 L HN 0.222 nan 8.230 nan 0.000 0.432 157 S N -2.275 113.516 115.700 0.152 0.000 2.561 157 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 157 S C 1.329 175.892 174.600 -0.062 0.000 0.977 157 S CA 0.109 58.378 58.200 0.115 0.000 0.926 157 S CB -0.596 62.632 63.200 0.047 0.000 0.769 157 S HN 0.460 nan 8.310 nan 0.000 0.533 158 W N 1.530 122.879 121.300 0.080 0.000 2.770 158 W HA 0.397 5.057 4.660 -0.000 0.000 0.256 158 W C 0.317 176.909 176.519 0.121 0.000 1.291 158 W CA -0.770 56.653 57.345 0.130 0.000 1.396 158 W CB -0.107 29.469 29.460 0.194 0.000 1.114 158 W HN 0.136 nan 8.180 nan 0.000 0.637 159 I N 2.394 123.049 120.570 0.141 0.000 2.662 159 I HA -0.103 4.067 4.170 -0.000 0.000 0.285 159 I C 1.532 177.626 176.117 -0.039 0.000 1.161 159 I CA 0.223 61.519 61.300 -0.007 0.000 1.415 159 I CB 0.469 38.415 38.000 -0.090 0.000 1.385 159 I HN 0.086 nan 8.210 nan 0.000 0.552 160 E N 4.777 124.918 120.200 -0.098 0.000 2.028 160 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 160 E C 0.409 176.913 176.600 -0.159 0.000 0.988 160 E CA 1.417 57.714 56.400 -0.172 0.000 0.799 160 E CB 0.170 29.615 29.700 -0.425 0.000 0.755 160 E HN 0.589 nan 8.360 nan 0.000 0.447 161 Q N 0.339 120.088 119.800 -0.085 0.000 2.788 161 Q HA 0.149 4.489 4.340 -0.000 0.000 0.261 161 Q C -1.962 174.036 176.000 -0.004 0.000 1.029 161 Q CA -1.341 54.446 55.803 -0.025 0.000 0.848 161 Q CB 1.584 30.387 28.738 0.108 0.000 1.185 161 Q HN 0.034 nan 8.270 nan 0.000 0.482 162 P HA -0.141 nan 4.420 nan 0.000 0.225 162 P C 0.556 177.886 177.300 0.050 0.000 1.148 162 P CA 0.964 64.097 63.100 0.055 0.000 0.779 162 P CB 0.398 32.185 31.700 0.144 0.000 0.780 163 L N -1.351 119.881 121.223 0.014 0.000 2.607 163 L HA 0.267 4.607 4.340 -0.000 0.000 0.228 163 L C 1.303 178.204 176.870 0.052 0.000 1.123 163 L CA -0.309 54.540 54.840 0.016 0.000 0.890 163 L CB -0.409 41.638 42.059 -0.021 0.000 1.103 163 L HN -0.074 nan 8.230 nan 0.000 0.468 164 G N -0.449 108.402 108.800 0.085 0.000 2.403 164 G HA2 0.336 4.295 3.960 -0.000 0.000 0.259 164 G HA3 0.336 4.295 3.960 -0.000 0.000 0.259 164 G C 0.833 175.816 174.900 0.140 0.000 1.244 164 G CA -0.066 45.119 45.100 0.142 0.000 0.849 164 G HN 0.225 nan 8.290 nan 0.000 0.532 165 G N 0.862 109.753 108.800 0.152 0.000 3.233 165 G HA2 0.266 4.226 3.960 -0.000 0.000 0.227 165 G HA3 0.266 4.226 3.960 -0.000 0.000 0.227 165 G C 0.188 175.191 174.900 0.170 0.000 1.175 165 G CA -0.140 45.038 45.100 0.130 0.000 0.781 165 G HN 0.508 nan 8.290 nan 0.000 0.542 166 E N 0.346 120.694 120.200 0.247 0.000 2.113 166 E HA 0.586 4.936 4.350 -0.000 0.000 0.273 166 E C -0.386 176.413 176.600 0.332 0.000 0.924 166 E CA -0.472 56.085 56.400 0.262 0.000 0.764 166 E CB 1.726 31.711 29.700 0.475 0.000 1.104 166 E HN 0.253 nan 8.360 nan 0.000 0.406 167 L N 0.376 121.699 121.223 0.166 0.000 2.892 167 L HA 0.653 4.993 4.340 -0.000 0.000 0.269 167 L C -1.701 175.176 176.870 0.012 0.000 1.058 167 L CA -1.096 53.834 54.840 0.151 0.000 0.923 167 L CB 0.844 42.967 42.059 0.107 0.000 1.518 167 L HN 0.433 nan 8.230 nan 0.000 0.402 168 L N 0.644 121.828 121.223 -0.065 0.000 2.410 168 L HA 0.855 5.195 4.340 -0.000 0.000 0.270 168 L C -1.470 175.320 176.870 -0.132 0.000 0.983 168 L CA -0.449 54.257 54.840 -0.223 0.000 0.822 168 L CB 1.986 43.816 42.059 -0.382 0.000 1.285 168 L HN 0.823 nan 8.230 nan 0.000 0.409 169 M N 4.335 123.847 119.600 -0.147 0.000 2.456 169 M HA 0.575 5.055 4.480 -0.000 0.000 0.324 169 M C -0.587 175.691 176.300 -0.037 0.000 1.124 169 M CA -0.743 54.514 55.300 -0.071 0.000 0.959 169 M CB 2.040 34.606 32.600 -0.057 0.000 1.692 169 M HN 0.459 nan 8.290 nan 0.000 0.444 170 R N 1.210 121.728 120.500 0.030 0.000 2.643 170 R HA 0.140 4.480 4.340 -0.000 0.000 0.270 170 R C 0.991 177.392 176.300 0.169 0.000 1.061 170 R CA -0.203 55.953 56.100 0.094 0.000 1.107 170 R CB 0.300 30.646 30.300 0.076 0.000 0.999 170 R HN 0.755 nan 8.270 nan 0.000 0.460 171 R N 2.127 122.782 120.500 0.258 0.000 2.134 171 R HA -0.251 4.089 4.340 -0.000 0.000 0.248 171 R C 1.870 178.269 176.300 0.165 0.000 1.143 171 R CA 2.490 58.765 56.100 0.292 0.000 0.957 171 R CB -0.133 30.243 30.300 0.126 0.000 0.867 171 R HN 0.813 nan 8.270 nan 0.000 0.441 172 E N -0.058 120.202 120.200 0.099 0.000 2.204 172 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 172 E C 1.790 178.430 176.600 0.067 0.000 0.989 172 E CA 1.402 57.841 56.400 0.065 0.000 0.824 172 E CB -0.052 29.671 29.700 0.039 0.000 0.756 172 E HN 0.323 nan 8.360 nan 0.000 0.477 173 V N 1.935 121.890 119.914 0.068 0.000 2.323 173 V HA -0.204 3.916 4.120 -0.000 0.000 0.244 173 V C 2.727 178.850 176.094 0.048 0.000 1.041 173 V CA 1.798 64.122 62.300 0.040 0.000 1.025 173 V CB -0.785 31.050 31.823 0.019 0.000 0.656 173 V HN 0.472 nan 8.190 nan 0.000 0.451 174 A N 0.053 122.934 122.820 0.100 0.000 1.917 174 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 174 A C 2.400 180.082 177.584 0.163 0.000 1.182 174 A CA 2.390 54.507 52.037 0.133 0.000 0.633 174 A CB -0.794 18.391 19.000 0.308 0.000 0.819 174 A HN 0.586 nan 8.150 nan 0.000 0.448 175 A N -0.894 122.019 122.820 0.155 0.000 1.873 175 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 175 A C 2.232 179.902 177.584 0.144 0.000 1.186 175 A CA 1.907 54.034 52.037 0.151 0.000 0.616 175 A CB -0.569 18.484 19.000 0.089 0.000 0.823 175 A HN 0.528 nan 8.150 nan 0.000 0.442 176 M N -0.023 119.631 119.600 0.090 0.000 2.073 176 M HA -0.172 4.308 4.480 -0.000 0.000 0.258 176 M C 2.042 178.389 176.300 0.079 0.000 1.070 176 M CA 1.911 57.250 55.300 0.066 0.000 1.103 176 M CB -0.801 31.821 32.600 0.037 0.000 1.321 176 M HN 0.440 nan 8.290 nan 0.000 0.405 177 L N -1.146 120.123 121.223 0.077 0.000 2.083 177 L HA -0.248 4.092 4.340 -0.000 0.000 0.209 177 L C 2.517 179.492 176.870 0.174 0.000 1.083 177 L CA 1.314 56.208 54.840 0.089 0.000 0.752 177 L CB -0.979 41.054 42.059 -0.044 0.000 0.899 177 L HN 0.326 nan 8.230 nan 0.000 0.433 178 Y N 0.788 121.128 120.300 0.066 0.000 2.373 178 Y HA -0.171 4.378 4.550 -0.000 0.000 0.293 178 Y C 2.339 178.280 175.900 0.068 0.000 1.129 178 Y CA 1.203 59.355 58.100 0.088 0.000 1.226 178 Y CB 0.075 38.592 38.460 0.095 0.000 1.000 178 Y HN 0.105 nan 8.280 nan 0.000 0.549 179 E N 0.302 120.522 120.200 0.034 0.000 2.216 179 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 179 E C 0.250 176.819 176.600 -0.052 0.000 0.988 179 E CA 0.560 56.931 56.400 -0.048 0.000 0.834 179 E CB -0.181 29.532 29.700 0.022 0.000 0.772 179 E HN 0.294 nan 8.360 nan 0.000 0.479 180 D N 0.511 120.909 120.400 -0.003 0.000 2.339 180 D HA -0.026 4.614 4.640 -0.000 0.000 0.256 180 D C 0.301 176.598 176.300 -0.004 0.000 1.214 180 D CA 0.137 54.146 54.000 0.014 0.000 0.877 180 D CB 0.780 41.615 40.800 0.057 0.000 1.111 180 D HN 0.150 nan 8.370 nan 0.000 0.478 181 E N 2.982 123.173 120.200 -0.015 0.000 2.110 181 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 181 E C 1.825 178.420 176.600 -0.009 0.000 0.988 181 E CA 0.897 57.281 56.400 -0.026 0.000 0.804 181 E CB 0.261 29.948 29.700 -0.023 0.000 0.745 181 E HN 0.455 nan 8.360 nan 0.000 0.458 182 R N 0.469 120.974 120.500 0.009 0.000 2.096 182 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 182 R C 2.426 178.738 176.300 0.019 0.000 1.127 182 R CA 1.176 57.281 56.100 0.008 0.000 0.968 182 R CB -0.337 29.972 30.300 0.016 0.000 0.861 182 R HN 0.048 nan 8.270 nan 0.000 0.440 183 V N 0.732 120.678 119.914 0.053 0.000 2.270 183 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 183 V C 2.312 178.442 176.094 0.059 0.000 1.043 183 V CA 1.805 64.159 62.300 0.091 0.000 1.014 183 V CB -0.476 31.462 31.823 0.191 0.000 0.645 183 V HN 0.175 nan 8.190 nan 0.000 0.447 184 R N 0.424 120.944 120.500 0.032 0.000 2.091 184 R HA -0.163 4.176 4.340 -0.000 0.000 0.238 184 R C 2.412 178.709 176.300 -0.005 0.000 1.136 184 R CA 1.747 57.850 56.100 0.005 0.000 0.959 184 R CB -0.624 29.636 30.300 -0.066 0.000 0.856 184 R HN 0.405 nan 8.270 nan 0.000 0.437 185 R N -0.008 120.483 120.500 -0.014 0.000 2.091 185 R HA -0.043 4.297 4.340 -0.000 0.000 0.238 185 R C 0.198 176.482 176.300 -0.027 0.000 1.136 185 R CA 1.050 57.137 56.100 -0.021 0.000 0.959 185 R CB -0.020 30.267 30.300 -0.022 0.000 0.856 185 R HN 0.007 nan 8.270 nan 0.000 0.437 186 R N 1.504 121.985 120.500 -0.033 0.000 3.206 186 R HA -0.017 4.323 4.340 -0.000 0.000 0.209 186 R C 1.018 177.275 176.300 -0.072 0.000 1.632 186 R CA 0.307 56.374 56.100 -0.055 0.000 1.234 186 R CB 0.069 30.325 30.300 -0.073 0.000 1.270 186 R HN 0.356 nan 8.270 nan 0.000 0.665 187 S N -0.694 114.968 115.700 -0.063 0.000 2.522 187 S HA -0.095 4.375 4.470 -0.000 0.000 0.227 187 S C 0.748 175.272 174.600 -0.128 0.000 0.986 187 S CA 0.248 58.402 58.200 -0.077 0.000 0.929 187 S CB 0.039 63.204 63.200 -0.058 0.000 0.769 187 S HN 0.532 nan 8.310 nan 0.000 0.529 188 D N 0.092 120.417 120.400 -0.125 0.000 2.481 188 D HA 0.142 4.782 4.640 -0.000 0.000 0.283 188 D C 0.591 176.777 176.300 -0.190 0.000 1.192 188 D CA -0.987 52.906 54.000 -0.179 0.000 1.100 188 D CB -0.695 40.056 40.800 -0.081 0.000 1.166 188 D HN 0.298 nan 8.370 nan 0.000 0.584 189 W N -0.585 120.678 121.300 -0.061 0.000 2.721 189 W HA 0.224 4.884 4.660 -0.000 0.000 0.245 189 W C 2.151 178.610 176.519 -0.100 0.000 1.276 189 W CA 0.217 57.517 57.345 -0.076 0.000 1.342 189 W CB 0.076 29.498 29.460 -0.063 0.000 1.135 189 W HN 0.541 nan 8.180 nan 0.000 0.654 190 G N 0.167 109.019 108.800 0.086 0.000 2.744 190 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.211 190 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.211 190 G C 1.301 176.155 174.900 -0.076 0.000 1.143 190 G CA 0.368 45.471 45.100 0.005 0.000 0.788 190 G HN 0.183 nan 8.290 nan 0.000 0.534 191 I N 1.616 122.103 120.570 -0.138 0.000 2.151 191 I HA -0.199 3.971 4.170 -0.000 0.000 0.243 191 I C 2.050 177.891 176.117 -0.460 0.000 1.080 191 I CA 1.579 62.675 61.300 -0.340 0.000 1.339 191 I CB -0.184 37.566 38.000 -0.418 0.000 1.039 191 I HN 0.141 nan 8.210 nan 0.000 0.409 192 D N -0.465 119.769 120.400 -0.275 0.000 2.097 192 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 192 D C 2.063 178.338 176.300 -0.041 0.000 0.989 192 D CA 2.127 56.024 54.000 -0.173 0.000 0.827 192 D CB -0.448 40.327 40.800 -0.042 0.000 0.966 192 D HN 0.385 nan 8.370 nan 0.000 0.456 193 T N 2.128 116.676 114.554 -0.011 0.000 2.699 193 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 193 T C 2.037 176.825 174.700 0.146 0.000 1.036 193 T CA 0.487 62.634 62.100 0.078 0.000 1.147 193 T CB -0.146 68.728 68.868 0.010 0.000 0.862 193 T HN 0.064 nan 8.240 nan 0.000 0.446 194 L N -0.018 121.232 121.223 0.044 0.000 2.017 194 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 194 L C 2.500 179.505 176.870 0.225 0.000 1.073 194 L CA 1.941 56.844 54.840 0.104 0.000 0.745 194 L CB -1.305 40.762 42.059 0.015 0.000 0.894 194 L HN 0.300 nan 8.230 nan 0.000 0.432 195 Y N 0.524 120.856 120.300 0.053 0.000 2.151 195 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 195 Y C 2.873 178.787 175.900 0.024 0.000 1.166 195 Y CA 1.324 59.440 58.100 0.027 0.000 1.163 195 Y CB -1.666 36.783 38.460 -0.018 0.000 0.974 195 Y HN 0.222 nan 8.280 nan 0.000 0.511 196 T N 0.295 114.973 114.554 0.206 0.000 2.701 196 T HA -0.185 4.165 4.350 -0.000 0.000 0.263 196 T C 1.741 176.446 174.700 0.010 0.000 1.040 196 T CA 1.352 63.516 62.100 0.106 0.000 1.147 196 T CB -0.780 68.191 68.868 0.171 0.000 0.865 196 T HN 0.286 nan 8.240 nan 0.000 0.426 197 F N 1.841 121.768 119.950 -0.039 0.000 2.069 197 F HA -0.154 4.372 4.527 -0.000 0.000 0.298 197 F C 2.215 177.902 175.800 -0.188 0.000 1.113 197 F CA 1.107 58.984 58.000 -0.205 0.000 1.214 197 F CB -0.534 38.390 39.000 -0.127 0.000 0.978 197 F HN -0.089 nan 8.300 nan 0.000 0.474 198 V N 0.382 120.338 119.914 0.069 0.000 2.307 198 V HA -0.301 3.819 4.120 -0.000 0.000 0.245 198 V C 2.612 178.625 176.094 -0.135 0.000 1.045 198 V CA 2.292 64.591 62.300 -0.002 0.000 1.024 198 V CB -1.550 30.364 31.823 0.151 0.000 0.651 198 V HN 0.610 nan 8.190 nan 0.000 0.449 199 T N -1.219 113.286 114.554 -0.081 0.000 2.699 199 T HA -0.218 4.131 4.350 -0.000 0.000 0.268 199 T C 1.800 176.393 174.700 -0.178 0.000 1.036 199 T CA 1.939 63.978 62.100 -0.101 0.000 1.147 199 T CB -0.755 68.075 68.868 -0.064 0.000 0.862 199 T HN 0.242 nan 8.240 nan 0.000 0.446 200 V N 2.086 121.831 119.914 -0.283 0.000 2.323 200 V HA 0.036 4.156 4.120 -0.000 0.000 0.244 200 V C 3.259 179.119 176.094 -0.390 0.000 1.041 200 V CA 1.405 63.501 62.300 -0.340 0.000 1.025 200 V CB -1.393 30.165 31.823 -0.441 0.000 0.656 200 V HN 0.682 nan 8.190 nan 0.000 0.451 201 A N 0.192 122.660 122.820 -0.586 0.000 1.940 201 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 201 A C 2.244 179.661 177.584 -0.279 0.000 1.176 201 A CA 1.998 53.701 52.037 -0.556 0.000 0.631 201 A CB -0.689 17.841 19.000 -0.785 0.000 0.814 201 A HN 0.607 nan 8.150 nan 0.000 0.446 202 A N -1.484 121.212 122.820 -0.206 0.000 2.239 202 A HA 0.382 4.702 4.320 -0.000 0.000 0.209 202 A C 1.794 179.323 177.584 -0.091 0.000 1.171 202 A CA 1.199 53.169 52.037 -0.112 0.000 0.768 202 A CB -1.222 17.734 19.000 -0.074 0.000 0.790 202 A HN 1.951 nan 8.150 nan 0.000 0.478 203 G N -0.737 107.994 108.800 -0.114 0.000 2.249 203 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.273 203 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.273 203 G C 0.215 175.086 174.900 -0.048 0.000 1.036 203 G CA 0.235 45.288 45.100 -0.078 0.000 0.824 203 G HN 0.792 nan 8.290 nan 0.000 0.504 204 V N 0.792 120.676 119.914 -0.051 0.000 2.872 204 V HA 0.411 4.531 4.120 -0.000 0.000 0.307 204 V C 1.263 177.371 176.094 0.023 0.000 1.072 204 V CA 0.469 62.760 62.300 -0.014 0.000 1.148 204 V CB 1.422 33.235 31.823 -0.018 0.000 0.954 204 V HN 1.062 nan 8.190 nan 0.000 0.490 205 S N 4.852 120.598 115.700 0.076 0.000 2.457 205 S HA 0.723 5.192 4.470 -0.000 0.000 0.289 205 S C -0.773 174.008 174.600 0.301 0.000 1.163 205 S CA -0.656 57.648 58.200 0.175 0.000 1.078 205 S CB 0.591 63.879 63.200 0.145 0.000 0.987 205 S HN 0.453 nan 8.310 nan 0.000 0.482 206 I N 3.450 124.194 120.570 0.290 0.000 2.404 206 I HA 0.430 4.600 4.170 -0.000 0.000 0.293 206 I C -0.863 175.315 176.117 0.101 0.000 0.992 206 I CA -0.878 60.529 61.300 0.179 0.000 1.149 206 I CB 1.438 39.459 38.000 0.034 0.000 1.315 206 I HN 0.726 nan 8.210 nan 0.000 0.446 207 Y N 5.034 125.116 120.300 -0.364 0.000 2.429 207 Y HA 0.465 5.015 4.550 -0.000 0.000 0.342 207 Y C -0.653 175.086 175.900 -0.269 0.000 1.004 207 Y CA -0.774 56.960 58.100 -0.611 0.000 1.075 207 Y CB 1.634 39.370 38.460 -1.206 0.000 1.214 207 Y HN 0.497 nan 8.280 nan 0.000 0.455 208 E N 5.136 124.932 120.200 -0.673 0.000 2.129 208 E HA 0.406 4.756 4.350 -0.000 0.000 0.268 208 E C -1.161 175.131 176.600 -0.513 0.000 0.900 208 E CA -0.824 55.322 56.400 -0.422 0.000 0.755 208 E CB 0.915 30.406 29.700 -0.348 0.000 1.117 208 E HN 0.665 nan 8.360 nan 0.000 0.410 209 C N 1.702 120.854 119.300 -0.247 0.000 2.358 209 C HA 0.508 4.968 4.460 -0.000 0.000 0.342 209 C C -0.163 174.750 174.990 -0.130 0.000 1.234 209 C CA -1.161 57.775 59.018 -0.136 0.000 1.969 209 C CB -0.470 27.271 27.740 0.002 0.000 2.346 209 C HN 0.740 nan 8.230 nan 0.000 0.525 210 Y N 3.145 123.231 120.300 -0.357 0.000 2.327 210 Y HA 0.601 5.151 4.550 -0.000 0.000 0.336 210 Y C -0.090 175.467 175.900 -0.572 0.000 1.035 210 Y CA -1.107 56.554 58.100 -0.730 0.000 1.165 210 Y CB 0.475 38.526 38.460 -0.682 0.000 1.181 210 Y HN 0.624 nan 8.280 nan 0.000 0.494 211 I N 10.167 130.045 120.570 -1.153 0.000 2.306 211 I HA 0.203 4.373 4.170 -0.000 0.000 0.288 211 I C -1.876 173.698 176.117 -0.904 0.000 1.036 211 I CA -2.725 58.047 61.300 -0.879 0.000 1.221 211 I CB 1.085 38.501 38.000 -0.974 0.000 1.385 211 I HN 0.555 nan 8.210 nan 0.000 0.472 212 P HA -0.089 nan 4.420 nan 0.000 0.215 212 P C 0.430 177.640 177.300 -0.150 0.000 1.157 212 P CA 0.876 63.735 63.100 -0.402 0.000 0.859 212 P CB 0.100 31.681 31.700 -0.200 0.000 0.786 213 E N 1.233 121.421 120.200 -0.021 0.000 2.418 213 E HA 0.094 4.443 4.350 -0.000 0.000 0.261 213 E C 0.658 177.321 176.600 0.106 0.000 1.070 213 E CA 0.045 56.510 56.400 0.108 0.000 0.931 213 E CB 0.022 29.837 29.700 0.191 0.000 0.954 213 E HN 0.027 nan 8.360 nan 0.000 0.439 214 G N 1.192 110.086 108.800 0.157 0.000 2.529 214 G HA2 0.029 3.989 3.960 -0.000 0.000 0.277 214 G HA3 0.029 3.989 3.960 -0.000 0.000 0.277 214 G C -0.498 174.452 174.900 0.083 0.000 1.383 214 G CA -0.509 44.661 45.100 0.117 0.000 1.050 214 G HN 0.559 nan 8.290 nan 0.000 0.526 215 K N 0.119 120.380 120.400 -0.231 0.000 2.347 215 K HA 0.527 4.847 4.320 -0.000 0.000 0.262 215 K C -0.319 176.299 176.600 0.029 0.000 1.052 215 K CA -0.502 55.547 56.287 -0.395 0.000 0.946 215 K CB 0.527 32.213 32.500 -1.357 0.000 1.220 215 K HN 0.448 nan 8.250 nan 0.000 0.450 216 A N 4.903 127.815 122.820 0.153 0.000 2.269 216 A HA 0.366 4.686 4.320 -0.000 0.000 0.302 216 A C -0.829 176.902 177.584 0.244 0.000 1.266 216 A CA -0.373 51.777 52.037 0.189 0.000 0.894 216 A CB -0.196 18.886 19.000 0.137 0.000 1.147 216 A HN 1.026 nan 8.150 nan 0.000 0.537 217 H N 0.279 119.369 119.070 0.032 0.000 2.947 217 H HA 0.692 5.248 4.556 -0.000 0.000 0.290 217 H C -0.269 175.091 175.328 0.053 0.000 1.430 217 H CA -1.308 54.767 56.048 0.045 0.000 1.189 217 H CB 0.672 30.460 29.762 0.045 0.000 1.875 217 H HN 0.517 nan 8.280 nan 0.000 0.568 218 R N 0.781 121.290 120.500 0.014 0.000 2.585 218 R HA 0.064 4.403 4.340 -0.000 0.000 0.275 218 R C -0.374 175.829 176.300 -0.162 0.000 1.018 218 R CA -0.222 55.858 56.100 -0.035 0.000 1.072 218 R CB 0.258 30.596 30.300 0.062 0.000 0.953 218 R HN 0.283 nan 8.270 nan 0.000 0.419 224 D N -0.165 120.416 120.400 0.302 0.000 2.340 224 D HA 0.129 4.769 4.640 -0.000 0.000 0.220 224 D C 1.344 177.616 176.300 -0.045 0.000 1.039 224 D CA 0.980 55.021 54.000 0.068 0.000 0.866 224 D CB -0.656 40.028 40.800 -0.193 0.000 0.913 224 D HN 0.448 nan 8.370 nan 0.000 0.523 225 D N 0.864 121.279 120.400 0.026 0.000 2.309 225 D HA 0.014 4.654 4.640 -0.000 0.000 0.212 225 D C 2.010 178.304 176.300 -0.010 0.000 0.968 225 D CA 0.628 54.632 54.000 0.007 0.000 0.882 225 D CB -0.504 40.312 40.800 0.027 0.000 0.918 225 D HN 0.298 nan 8.370 nan 0.000 0.503 226 L N -1.330 119.904 121.223 0.018 0.000 2.607 226 L HA 0.198 4.538 4.340 -0.000 0.000 0.228 226 L C 2.546 179.370 176.870 -0.077 0.000 1.123 226 L CA -0.036 54.777 54.840 -0.045 0.000 0.890 226 L CB 0.142 42.210 42.059 0.016 0.000 1.103 226 L HN 0.164 nan 8.230 nan 0.000 0.468 227 R N 0.015 120.486 120.500 -0.048 0.000 2.073 227 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 227 R C 2.132 178.395 176.300 -0.062 0.000 1.134 227 R CA 2.085 58.136 56.100 -0.081 0.000 0.952 227 R CB -0.116 29.975 30.300 -0.348 0.000 0.850 227 R HN 0.173 nan 8.270 nan 0.000 0.433 228 T N 0.977 115.513 114.554 -0.030 0.000 2.684 228 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 228 T C 1.704 176.449 174.700 0.075 0.000 1.036 228 T CA 1.656 63.795 62.100 0.066 0.000 1.148 228 T CB -0.171 68.790 68.868 0.155 0.000 0.863 228 T HN 0.275 nan 8.240 nan 0.000 0.436 229 M N 0.503 120.041 119.600 -0.103 0.000 2.117 229 M HA -0.075 4.405 4.480 -0.000 0.000 0.262 229 M C 2.201 178.361 176.300 -0.232 0.000 1.065 229 M CA 1.435 56.536 55.300 -0.331 0.000 1.114 229 M CB -0.262 31.875 32.600 -0.771 0.000 1.361 229 M HN 0.241 nan 8.290 nan 0.000 0.408 230 L N 0.264 121.315 121.223 -0.287 0.000 2.012 230 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 230 L C 2.348 179.103 176.870 -0.191 0.000 1.073 230 L CA 2.148 56.754 54.840 -0.389 0.000 0.748 230 L CB -0.945 40.767 42.059 -0.578 0.000 0.891 230 L HN 0.374 nan 8.230 nan 0.000 0.431 231 V N -2.263 117.618 119.914 -0.055 0.000 2.453 231 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 231 V C 2.166 178.331 176.094 0.119 0.000 1.048 231 V CA 1.850 64.193 62.300 0.072 0.000 1.049 231 V CB -0.745 31.218 31.823 0.233 0.000 0.672 231 V HN 0.616 nan 8.190 nan 0.000 0.457 232 E N -0.375 119.886 120.200 0.101 0.000 2.107 232 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 232 E C 2.257 178.891 176.600 0.055 0.000 0.982 232 E CA 1.513 57.983 56.400 0.117 0.000 0.809 232 E CB -0.283 29.531 29.700 0.190 0.000 0.756 232 E HN 0.728 nan 8.360 nan 0.000 0.459 233 C N 0.466 119.771 119.300 0.009 0.000 2.440 233 C HA -0.094 4.366 4.460 -0.000 0.000 0.278 233 C C 2.378 177.329 174.990 -0.064 0.000 1.295 233 C CA 0.184 59.175 59.018 -0.044 0.000 1.738 233 C CB -0.903 26.781 27.740 -0.092 0.000 1.987 233 C HN 0.421 nan 8.230 nan 0.000 0.492 234 F N 2.417 122.250 119.950 -0.195 0.000 2.113 234 F HA -0.005 4.522 4.527 -0.000 0.000 0.297 234 F C 2.369 178.058 175.800 -0.185 0.000 1.103 234 F CA 1.370 59.213 58.000 -0.262 0.000 1.248 234 F CB -0.619 38.102 39.000 -0.464 0.000 0.999 234 F HN 0.145 nan 8.300 nan 0.000 0.475 235 A N 0.828 123.589 122.820 -0.098 0.000 1.903 235 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 235 A C 2.469 179.936 177.584 -0.196 0.000 1.191 235 A CA 2.498 54.491 52.037 -0.073 0.000 0.638 235 A CB -1.731 17.327 19.000 0.098 0.000 0.823 235 A HN 0.570 nan 8.150 nan 0.000 0.451 236 A N -0.115 122.614 122.820 -0.153 0.000 1.873 236 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 236 A C 2.047 179.509 177.584 -0.204 0.000 1.193 236 A CA 1.831 53.782 52.037 -0.143 0.000 0.629 236 A CB -0.593 18.348 19.000 -0.097 0.000 0.826 236 A HN 0.453 nan 8.150 nan 0.000 0.447 237 I N -0.083 120.320 120.570 -0.278 0.000 2.208 237 I HA -0.267 3.902 4.170 -0.000 0.000 0.245 237 I C 2.652 178.586 176.117 -0.305 0.000 1.097 237 I CA 2.006 63.158 61.300 -0.246 0.000 1.363 237 I CB -1.447 36.388 38.000 -0.275 0.000 1.051 237 I HN 0.599 nan 8.210 nan 0.000 0.413 238 Q N 0.928 120.411 119.800 -0.528 0.000 2.084 238 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 238 Q C 2.340 178.182 176.000 -0.264 0.000 0.978 238 Q CA 2.451 57.973 55.803 -0.468 0.000 0.844 238 Q CB 0.059 28.493 28.738 -0.507 0.000 0.898 238 Q HN 0.592 nan 8.270 nan 0.000 0.426 239 S N -0.385 115.192 115.700 -0.204 0.000 2.447 239 S HA -0.078 4.392 4.470 -0.000 0.000 0.233 239 S C 1.617 176.141 174.600 -0.127 0.000 1.006 239 S CA 0.730 58.850 58.200 -0.133 0.000 0.957 239 S CB -0.141 62.993 63.200 -0.111 0.000 0.773 239 S HN 0.445 nan 8.310 nan 0.000 0.507 240 L N 1.374 122.506 121.223 -0.151 0.000 2.607 240 L HA 0.210 4.550 4.340 -0.000 0.000 0.228 240 L C 2.627 179.544 176.870 0.077 0.000 1.123 240 L CA 0.306 55.051 54.840 -0.160 0.000 0.890 240 L CB -0.297 41.495 42.059 -0.445 0.000 1.103 240 L HN 0.473 nan 8.230 nan 0.000 0.468 241 Q N -0.284 119.466 119.800 -0.084 0.000 2.439 241 Q HA -0.198 4.142 4.340 -0.000 0.000 0.211 241 Q C 1.083 176.901 176.000 -0.303 0.000 0.978 241 Q CA 1.329 56.982 55.803 -0.250 0.000 0.897 241 Q CB -0.043 28.424 28.738 -0.452 0.000 0.956 241 Q HN 0.552 nan 8.270 nan 0.000 0.483 242 H N 0.204 119.328 119.070 0.091 0.000 2.648 242 H HA 0.232 4.788 4.556 -0.000 0.000 0.265 242 H C 0.040 175.485 175.328 0.195 0.000 0.961 242 H CA -0.049 56.055 56.048 0.093 0.000 1.185 242 H CB 0.432 30.215 29.762 0.035 0.000 1.449 242 H HN 0.279 nan 8.280 nan 0.000 0.523 243 E N 1.716 122.132 120.200 0.360 0.000 2.436 243 E HA 0.091 4.441 4.350 -0.000 0.000 0.262 243 E C 0.188 177.109 176.600 0.535 0.000 1.063 243 E CA 0.078 56.704 56.400 0.376 0.000 0.944 243 E CB 1.548 31.416 29.700 0.279 0.000 0.950 243 E HN -0.085 nan 8.360 nan 0.000 0.444 244 V N 1.456 121.593 119.914 0.372 0.000 2.815 244 V HA 0.334 4.454 4.120 -0.000 0.000 0.314 244 V C -0.004 176.205 176.094 0.191 0.000 1.064 244 V CA -0.926 61.576 62.300 0.337 0.000 0.952 244 V CB 2.172 34.124 31.823 0.216 0.000 1.020 244 V HN 0.368 nan 8.190 nan 0.000 0.439 245 V N 2.211 122.201 119.914 0.128 0.000 2.378 245 V HA 0.567 4.686 4.120 -0.000 0.000 0.288 245 V C 0.889 176.979 176.094 -0.006 0.000 1.016 245 V CA 0.155 62.416 62.300 -0.065 0.000 0.840 245 V CB 1.276 32.959 31.823 -0.234 0.000 0.994 245 V HN 1.042 nan 8.190 nan 0.000 0.431 246 G N 4.308 113.089 108.800 -0.032 0.000 3.393 246 G HA2 0.387 4.347 3.960 -0.000 0.000 0.255 246 G HA3 0.387 4.347 3.960 -0.000 0.000 0.255 246 G C 0.150 175.037 174.900 -0.022 0.000 1.097 246 G CA -0.019 45.077 45.100 -0.006 0.000 0.780 246 G HN 0.711 nan 8.290 nan 0.000 0.540 247 Q N -0.112 119.661 119.800 -0.045 0.000 2.527 247 Q HA 0.493 4.832 4.340 -0.000 0.000 0.280 247 Q C -3.125 172.843 176.000 -0.053 0.000 0.977 247 Q CA -1.806 53.971 55.803 -0.043 0.000 0.837 247 Q CB 1.458 30.169 28.738 -0.046 0.000 1.454 247 Q HN 0.004 nan 8.270 nan 0.000 0.387 248 P HA 0.551 nan 4.420 nan 0.000 0.279 248 P C -1.259 176.016 177.300 -0.041 0.000 1.282 248 P CA -0.419 62.661 63.100 -0.034 0.000 0.788 248 P CB 0.816 32.505 31.700 -0.019 0.000 1.139 249 A N 0.399 123.201 122.820 -0.028 0.000 2.449 249 A HA 0.565 4.885 4.320 -0.000 0.000 0.302 249 A C -0.216 177.395 177.584 0.045 0.000 1.048 249 A CA -0.882 51.149 52.037 -0.010 0.000 0.708 249 A CB 0.805 19.776 19.000 -0.049 0.000 1.274 249 A HN 0.457 nan 8.150 nan 0.000 0.410 250 I N 3.156 123.770 120.570 0.074 0.000 2.517 250 I HA 0.125 4.295 4.170 -0.000 0.000 0.285 250 I C 0.256 176.522 176.117 0.250 0.000 1.106 250 I CA 0.577 61.957 61.300 0.134 0.000 1.402 250 I CB 0.197 38.271 38.000 0.124 0.000 1.399 250 I HN 0.740 nan 8.210 nan 0.000 0.535 251 H N 7.655 126.778 119.070 0.088 0.000 3.018 251 H HA 0.515 5.071 4.556 -0.000 0.000 0.334 251 H C -1.201 174.152 175.328 0.042 0.000 0.983 251 H CA -0.881 55.202 56.048 0.058 0.000 1.363 251 H CB 1.084 30.838 29.762 -0.013 0.000 1.668 251 H HN 0.622 nan 8.280 nan 0.000 0.513 252 R N 3.370 123.809 120.500 -0.101 0.000 2.744 252 R HA 0.272 4.612 4.340 -0.000 0.000 0.279 252 R C -1.045 175.024 176.300 -0.385 0.000 0.977 252 R CA -0.831 55.158 56.100 -0.185 0.000 0.906 252 R CB 2.850 33.255 30.300 0.175 0.000 1.197 252 R HN 0.617 nan 8.270 nan 0.000 0.463 253 Q N 1.480 121.057 119.800 -0.371 0.000 2.341 253 Q HA 0.196 4.536 4.340 -0.000 0.000 0.268 253 Q C -0.964 174.886 176.000 -0.250 0.000 1.013 253 Q CA -0.668 54.893 55.803 -0.402 0.000 0.798 253 Q CB 2.543 31.097 28.738 -0.306 0.000 1.253 253 Q HN 0.447 nan 8.270 nan 0.000 0.457 254 E N 2.112 122.087 120.200 -0.374 0.000 2.608 254 E HA -0.157 4.193 4.350 -0.000 0.000 0.259 254 E C -0.554 176.085 176.600 0.066 0.000 0.951 254 E CA 0.133 56.513 56.400 -0.034 0.000 0.945 254 E CB 0.428 30.135 29.700 0.012 0.000 0.916 254 E HN 0.480 nan 8.360 nan 0.000 0.477 255 H N 5.574 124.646 119.070 0.003 0.000 2.964 255 H HA 0.096 4.652 4.556 -0.000 0.000 0.328 255 H C -2.089 173.169 175.328 -0.117 0.000 1.030 255 H CA -1.130 54.901 56.048 -0.028 0.000 1.445 255 H CB 0.638 30.388 29.762 -0.021 0.000 1.449 255 H HN 0.269 nan 8.280 nan 0.000 0.581 256 P HA 0.145 nan 4.420 nan 0.000 0.288 256 P C -0.782 176.105 177.300 -0.689 0.000 1.267 256 P CA -0.453 61.985 63.100 -1.104 0.000 0.815 256 P CB 1.011 32.214 31.700 -0.829 0.000 0.989 257 H N 0.695 119.293 119.070 -0.787 0.000 2.757 257 H HA 0.221 4.777 4.556 -0.000 0.000 0.370 257 H C 0.832 176.079 175.328 -0.134 0.000 1.172 257 H CA -0.071 55.846 56.048 -0.218 0.000 1.426 257 H CB 0.067 29.859 29.762 0.049 0.000 1.438 257 H HN 0.308 nan 8.280 nan 0.000 0.612 258 R N 0.545 121.100 120.500 0.093 0.000 2.566 258 R HA 0.031 4.371 4.340 -0.000 0.000 0.273 258 R C -0.413 175.935 176.300 0.080 0.000 0.981 258 R CA 0.047 56.185 56.100 0.064 0.000 1.091 258 R CB -0.078 30.246 30.300 0.040 0.000 0.924 258 R HN 0.475 nan 8.270 nan 0.000 0.411 259 V N 7.350 127.267 119.914 0.005 0.000 2.655 259 V HA 0.208 4.327 4.120 -0.000 0.000 0.300 259 V C -1.863 174.167 176.094 -0.107 0.000 1.044 259 V CA -1.549 60.723 62.300 -0.047 0.000 1.095 259 V CB 0.661 32.331 31.823 -0.255 0.000 0.952 259 V HN 0.824 nan 8.190 nan 0.000 0.485 260 P HA 0.137 nan 4.420 nan 0.000 0.271 260 P C 0.882 178.030 177.300 -0.254 0.000 1.216 260 P CA -0.090 62.910 63.100 -0.166 0.000 0.776 260 P CB 0.922 32.465 31.700 -0.263 0.000 0.881 261 V N 2.807 122.639 119.914 -0.137 0.000 2.282 261 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 261 V C 2.348 178.394 176.094 -0.080 0.000 1.057 261 V CA 2.356 64.600 62.300 -0.093 0.000 1.032 261 V CB -1.525 30.292 31.823 -0.010 0.000 0.645 261 V HN 0.778 nan 8.190 nan 0.000 0.447 262 H N -1.074 117.993 119.070 -0.005 0.000 2.518 262 H HA -0.077 4.479 4.556 -0.000 0.000 0.289 262 H C 2.097 177.432 175.328 0.012 0.000 1.051 262 H CA 1.836 57.886 56.048 0.004 0.000 1.280 262 H CB -0.246 29.524 29.762 0.012 0.000 1.380 262 H HN 0.445 nan 8.280 nan 0.000 0.566 263 I N 1.133 121.448 120.570 -0.425 0.000 2.385 263 I HA -0.051 4.119 4.170 -0.000 0.000 0.244 263 I C 2.996 179.071 176.117 -0.069 0.000 1.089 263 I CA 0.753 61.938 61.300 -0.191 0.000 1.410 263 I CB -0.339 37.536 38.000 -0.209 0.000 1.117 263 I HN 0.268 nan 8.210 nan 0.000 0.429 264 A N 0.546 123.279 122.820 -0.146 0.000 1.986 264 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 264 A C 1.974 179.559 177.584 0.001 0.000 1.171 264 A CA 1.887 53.857 52.037 -0.111 0.000 0.640 264 A CB -0.605 18.181 19.000 -0.355 0.000 0.811 264 A HN 0.520 nan 8.150 nan 0.000 0.451 265 E N -0.901 119.291 120.200 -0.012 0.000 2.463 265 E HA 0.157 4.506 4.350 -0.000 0.000 0.193 265 E C 0.885 177.502 176.600 0.028 0.000 1.041 265 E CA 0.125 56.533 56.400 0.013 0.000 0.879 265 E CB -0.152 29.555 29.700 0.011 0.000 0.997 265 E HN 0.604 nan 8.360 nan 0.000 0.478 266 R N 1.441 121.966 120.500 0.042 0.000 2.538 266 R HA 0.020 4.359 4.340 -0.000 0.000 0.282 266 R C 1.279 177.596 176.300 0.029 0.000 1.009 266 R CA 0.480 56.611 56.100 0.051 0.000 1.063 266 R CB -0.567 29.774 30.300 0.069 0.000 0.945 266 R HN 0.109 nan 8.270 nan 0.000 0.414 267 V N 2.390 122.314 119.914 0.017 0.000 2.223 267 V HA -0.028 4.091 4.120 -0.000 0.000 0.253 267 V C 1.457 177.529 176.094 -0.036 0.000 1.061 267 V CA 3.697 65.991 62.300 -0.009 0.000 1.035 267 V CB -0.971 30.849 31.823 -0.004 0.000 0.653 267 V HN 2.528 nan 8.190 nan 0.000 0.454 268 G N -2.347 106.448 108.800 -0.009 0.000 2.662 268 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 268 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 268 G C -0.560 174.321 174.900 -0.031 0.000 1.271 268 G CA -0.251 44.837 45.100 -0.021 0.000 0.816 268 G HN 1.922 nan 8.290 nan 0.000 0.608 269 Y N -0.005 120.292 120.300 -0.003 0.000 2.641 269 Y HA 0.452 5.002 4.550 -0.000 0.000 0.351 269 Y C 0.582 176.472 175.900 -0.016 0.000 1.269 269 Y CA -0.314 57.783 58.100 -0.006 0.000 1.485 269 Y CB 0.658 39.110 38.460 -0.013 0.000 1.364 269 Y HN 0.570 nan 8.280 nan 0.000 0.651 270 D N 2.247 122.755 120.400 0.179 0.000 2.352 270 D HA 0.103 4.742 4.640 -0.000 0.000 0.245 270 D C 0.729 177.095 176.300 0.110 0.000 1.224 270 D CA -0.181 53.859 54.000 0.068 0.000 0.879 270 D CB 1.152 42.010 40.800 0.097 0.000 1.057 270 D HN 0.562 nan 8.370 nan 0.000 0.491 271 V N 4.359 124.226 119.914 -0.078 0.000 2.295 271 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 271 V C 2.377 178.508 176.094 0.062 0.000 1.049 271 V CA 1.859 64.144 62.300 -0.024 0.000 1.024 271 V CB -0.534 31.195 31.823 -0.157 0.000 0.648 271 V HN 0.667 nan 8.190 nan 0.000 0.447 272 E N 0.230 120.455 120.200 0.041 0.000 2.058 272 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 272 E C 2.208 178.887 176.600 0.132 0.000 0.997 272 E CA 1.615 58.056 56.400 0.070 0.000 0.801 272 E CB -0.217 29.510 29.700 0.044 0.000 0.746 272 E HN 0.570 nan 8.360 nan 0.000 0.450 273 A N 0.050 122.956 122.820 0.142 0.000 1.969 273 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 273 A C 2.330 180.019 177.584 0.175 0.000 1.169 273 A CA 1.735 53.880 52.037 0.180 0.000 0.635 273 A CB -0.670 18.419 19.000 0.149 0.000 0.810 273 A HN 0.300 nan 8.150 nan 0.000 0.445 274 T N 0.630 115.283 114.554 0.164 0.000 2.674 274 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 274 T C 1.834 176.599 174.700 0.108 0.000 1.039 274 T CA 1.516 63.686 62.100 0.116 0.000 1.150 274 T CB -0.446 68.484 68.868 0.102 0.000 0.864 274 T HN 0.373 nan 8.240 nan 0.000 0.427 275 L N 0.213 121.508 121.223 0.120 0.000 2.013 275 L HA -0.220 4.119 4.340 -0.000 0.000 0.212 275 L C 2.551 179.552 176.870 0.217 0.000 1.073 275 L CA 1.887 56.815 54.840 0.146 0.000 0.753 275 L CB -0.727 41.416 42.059 0.140 0.000 0.890 275 L HN 0.497 nan 8.230 nan 0.000 0.432 276 H N -0.125 119.006 119.070 0.102 0.000 2.387 276 H HA -0.213 4.343 4.556 -0.000 0.000 0.299 276 H C 2.406 177.813 175.328 0.133 0.000 1.090 276 H CA 1.239 57.350 56.048 0.106 0.000 1.332 276 H CB 0.308 30.122 29.762 0.086 0.000 1.386 276 H HN 0.054 nan 8.280 nan 0.000 0.516 277 R N 0.701 121.274 120.500 0.122 0.000 2.189 277 R HA -0.075 4.264 4.340 -0.000 0.000 0.223 277 R C 1.981 178.382 176.300 0.169 0.000 1.092 277 R CA 0.542 56.700 56.100 0.096 0.000 0.989 277 R CB -0.670 29.738 30.300 0.179 0.000 0.876 277 R HN 0.300 nan 8.270 nan 0.000 0.457 278 L N -0.320 121.010 121.223 0.179 0.000 2.362 278 L HA 0.095 4.435 4.340 -0.000 0.000 0.219 278 L C 1.469 178.531 176.870 0.320 0.000 1.134 278 L CA 1.540 56.499 54.840 0.199 0.000 0.807 278 L CB -0.182 41.998 42.059 0.202 0.000 0.927 278 L HN 0.266 nan 8.230 nan 0.000 0.447 279 M N -1.923 117.865 119.600 0.313 0.000 2.371 279 M HA 0.112 4.592 4.480 -0.000 0.000 0.246 279 M C 0.234 176.770 176.300 0.393 0.000 1.103 279 M CA 0.169 55.710 55.300 0.402 0.000 1.010 279 M CB 0.418 33.198 32.600 0.299 0.000 1.457 279 M HN 0.126 nan 8.290 nan 0.000 0.486 280 Q N -1.046 118.888 119.800 0.223 0.000 2.240 280 Q HA 0.343 4.683 4.340 -0.000 0.000 0.260 280 Q C -0.521 175.502 176.000 0.038 0.000 1.018 280 Q CA -0.799 55.036 55.803 0.052 0.000 0.898 280 Q CB 0.952 29.610 28.738 -0.134 0.000 1.301 280 Q HN 0.254 nan 8.270 nan 0.000 0.469 281 H N -2.076 117.019 119.070 0.042 0.000 2.741 281 H HA -0.200 4.356 4.556 -0.000 0.000 0.305 281 H C -1.287 174.016 175.328 -0.043 0.000 1.169 281 H CA 0.391 56.429 56.048 -0.017 0.000 1.144 281 H CB -1.559 28.152 29.762 -0.084 0.000 1.397 281 H HN 0.423 nan 8.280 nan 0.000 0.409 282 W N 0.465 121.804 121.300 0.065 0.000 2.184 282 W HA 0.409 5.069 4.660 -0.000 0.000 0.338 282 W C 0.707 177.241 176.519 0.025 0.000 1.257 282 W CA 0.718 58.089 57.345 0.042 0.000 1.243 282 W CB 1.062 30.535 29.460 0.020 0.000 1.122 282 W HN 0.253 nan 8.180 nan 0.000 0.585 283 T N -0.570 114.175 114.554 0.318 0.000 2.900 283 T HA 0.315 4.665 4.350 -0.000 0.000 0.303 283 T C -2.298 172.506 174.700 0.174 0.000 1.142 283 T CA -1.992 60.214 62.100 0.178 0.000 1.007 283 T CB 1.950 70.872 68.868 0.091 0.000 1.156 283 T HN 0.017 nan 8.240 nan 0.000 0.490 284 P HA -0.097 nan 4.420 nan 0.000 0.216 284 P C 1.525 178.858 177.300 0.055 0.000 1.150 284 P CA 0.957 64.097 63.100 0.066 0.000 0.843 284 P CB 0.122 31.842 31.700 0.035 0.000 0.787 285 R N -0.104 120.417 120.500 0.035 0.000 2.066 285 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 285 R C 2.364 178.638 176.300 -0.043 0.000 1.131 285 R CA 1.514 57.607 56.100 -0.010 0.000 0.955 285 R CB -0.733 29.550 30.300 -0.029 0.000 0.851 285 R HN 0.116 nan 8.270 nan 0.000 0.432 286 Q N -0.405 119.384 119.800 -0.019 0.000 2.082 286 Q HA -0.216 4.124 4.340 -0.000 0.000 0.211 286 Q C 2.061 178.122 176.000 0.101 0.000 1.002 286 Q CA 2.408 58.198 55.803 -0.022 0.000 0.868 286 Q CB -0.183 28.564 28.738 0.014 0.000 0.931 286 Q HN 0.239 nan 8.270 nan 0.000 0.414 287 V N 0.616 120.657 119.914 0.212 0.000 2.407 287 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 287 V C 2.465 178.597 176.094 0.064 0.000 1.055 287 V CA 2.305 64.702 62.300 0.163 0.000 1.049 287 V CB -1.263 30.606 31.823 0.077 0.000 0.662 287 V HN 0.583 nan 8.190 nan 0.000 0.455 288 E N -0.232 119.984 120.200 0.026 0.000 2.072 288 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 288 E C 2.022 178.620 176.600 -0.004 0.000 0.982 288 E CA 1.191 57.596 56.400 0.008 0.000 0.803 288 E CB -0.561 29.141 29.700 0.002 0.000 0.755 288 E HN 0.369 nan 8.360 nan 0.000 0.453 289 L N 0.472 121.655 121.223 -0.066 0.000 2.081 289 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 289 L C 2.661 179.562 176.870 0.053 0.000 1.080 289 L CA 1.483 56.243 54.840 -0.134 0.000 0.754 289 L CB -0.915 40.852 42.059 -0.487 0.000 0.893 289 L HN 0.386 nan 8.230 nan 0.000 0.433 290 L N -1.057 120.226 121.223 0.100 0.000 2.189 290 L HA -0.245 4.095 4.340 -0.000 0.000 0.214 290 L C 2.373 179.397 176.870 0.257 0.000 1.097 290 L CA 0.758 55.735 54.840 0.228 0.000 0.764 290 L CB -0.419 41.713 42.059 0.122 0.000 0.900 290 L HN 0.247 nan 8.230 nan 0.000 0.436 291 E N 0.430 120.708 120.200 0.129 0.000 2.273 291 E HA -0.218 4.132 4.350 -0.000 0.000 0.198 291 E C 2.064 178.704 176.600 0.066 0.000 1.002 291 E CA 1.042 57.491 56.400 0.082 0.000 0.828 291 E CB -0.219 29.504 29.700 0.039 0.000 0.747 291 E HN 0.446 nan 8.360 nan 0.000 0.491 292 L N -0.666 120.591 121.223 0.057 0.000 2.376 292 L HA 0.009 4.348 4.340 -0.000 0.000 0.219 292 L C 0.269 176.988 176.870 -0.250 0.000 1.133 292 L CA 0.015 54.753 54.840 -0.170 0.000 0.816 292 L CB 0.009 41.864 42.059 -0.339 0.000 0.933 292 L HN 0.024 nan 8.230 nan 0.000 0.449 293 F N -0.870 119.103 119.950 0.038 0.000 2.411 293 F HA 0.251 4.778 4.527 -0.000 0.000 0.324 293 F C 1.253 177.091 175.800 0.063 0.000 1.086 293 F CA -1.109 56.933 58.000 0.071 0.000 1.028 293 F CB 0.616 39.676 39.000 0.100 0.000 1.284 293 F HN -0.208 nan 8.300 nan 0.000 0.501 294 T N -2.617 112.111 114.554 0.289 0.000 2.856 294 T HA 0.091 4.441 4.350 -0.000 0.000 0.306 294 T C 1.040 175.837 174.700 0.160 0.000 1.062 294 T CA -0.294 61.917 62.100 0.185 0.000 1.083 294 T CB 0.777 69.751 68.868 0.177 0.000 0.984 294 T HN 0.629 nan 8.240 nan 0.000 0.542 295 T N 2.921 117.538 114.554 0.106 0.000 2.635 295 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 295 T C -0.763 173.963 174.700 0.043 0.000 1.040 295 T CA 1.677 63.817 62.100 0.066 0.000 1.156 295 T CB -1.503 67.394 68.868 0.047 0.000 0.863 295 T HN 0.592 nan 8.240 nan 0.000 0.430 296 P HA 0.007 nan 4.420 nan 0.000 0.217 296 P C 1.679 178.973 177.300 -0.009 0.000 1.150 296 P CA 0.525 63.659 63.100 0.057 0.000 0.832 296 P CB -0.237 31.555 31.700 0.154 0.000 0.787 297 V N 0.067 120.060 119.914 0.131 0.000 2.307 297 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 297 V C 2.706 178.743 176.094 -0.095 0.000 1.045 297 V CA 1.837 64.220 62.300 0.137 0.000 1.024 297 V CB -1.015 30.991 31.823 0.305 0.000 0.651 297 V HN 0.035 nan 8.190 nan 0.000 0.449 298 R N 0.239 120.744 120.500 0.008 0.000 2.103 298 R HA -0.219 4.121 4.340 -0.000 0.000 0.234 298 R C 2.394 178.628 176.300 -0.111 0.000 1.132 298 R CA 2.229 58.324 56.100 -0.008 0.000 0.925 298 R CB -0.332 30.004 30.300 0.060 0.000 0.842 298 R HN 0.528 nan 8.270 nan 0.000 0.430 299 E N -0.474 119.645 120.200 -0.136 0.000 2.058 299 E HA -0.167 4.182 4.350 -0.000 0.000 0.194 299 E C 1.985 178.396 176.600 -0.315 0.000 0.997 299 E CA 1.438 57.733 56.400 -0.175 0.000 0.801 299 E CB -0.656 28.964 29.700 -0.134 0.000 0.746 299 E HN 0.646 nan 8.360 nan 0.000 0.450 300 G N 2.031 110.462 108.800 -0.616 0.000 2.514 300 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.217 300 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.217 300 G C 1.584 176.067 174.900 -0.696 0.000 1.198 300 G CA 0.582 44.944 45.100 -1.230 0.000 0.780 300 G HN 0.189 nan 8.290 nan 0.000 0.565 301 L N 0.018 120.983 121.223 -0.430 0.000 2.217 301 L HA 0.089 4.429 4.340 -0.000 0.000 0.211 301 L C 3.052 180.015 176.870 0.154 0.000 1.107 301 L CA 0.875 55.739 54.840 0.040 0.000 0.783 301 L CB -0.385 41.752 42.059 0.130 0.000 0.919 301 L HN 0.266 nan 8.230 nan 0.000 0.442 302 R N -0.929 119.546 120.500 -0.042 0.000 2.075 302 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 302 R C 2.025 178.197 176.300 -0.212 0.000 1.126 302 R CA 1.854 57.852 56.100 -0.171 0.000 0.963 302 R CB -0.384 29.817 30.300 -0.164 0.000 0.858 302 R HN 0.337 nan 8.270 nan 0.000 0.435 303 T N 0.473 114.939 114.554 -0.147 0.000 2.778 303 T HA -0.209 4.141 4.350 -0.000 0.000 0.269 303 T C 1.909 176.579 174.700 -0.050 0.000 1.050 303 T CA 1.284 63.318 62.100 -0.110 0.000 1.137 303 T CB -0.471 68.341 68.868 -0.094 0.000 0.860 303 T HN 0.380 nan 8.240 nan 0.000 0.468 304 C N 1.604 120.936 119.300 0.053 0.000 2.421 304 C HA -0.057 4.403 4.460 -0.000 0.000 0.296 304 C C 2.694 177.772 174.990 0.147 0.000 1.470 304 C CA 0.264 59.403 59.018 0.202 0.000 1.779 304 C CB -1.447 26.545 27.740 0.419 0.000 1.715 304 C HN 0.602 nan 8.230 nan 0.000 0.564 305 Q N -0.100 119.584 119.800 -0.192 0.000 2.172 305 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 305 Q C 2.341 178.242 176.000 -0.166 0.000 0.964 305 Q CA 1.123 56.664 55.803 -0.437 0.000 0.855 305 Q CB 0.047 28.316 28.738 -0.781 0.000 0.918 305 Q HN 0.700 nan 8.270 nan 0.000 0.444 306 R N -0.145 120.290 120.500 -0.108 0.000 2.123 306 R HA 0.105 4.445 4.340 -0.000 0.000 0.209 306 R C 0.216 176.516 176.300 0.001 0.000 1.078 306 R CA 0.515 56.581 56.100 -0.057 0.000 1.028 306 R CB 0.473 30.728 30.300 -0.074 0.000 0.939 306 R HN 0.046 nan 8.270 nan 0.000 0.463 307 R N -0.384 120.128 120.500 0.021 0.000 2.710 307 R HA 0.412 4.752 4.340 -0.000 0.000 0.270 307 R C -3.185 173.172 176.300 0.094 0.000 1.021 307 R CA -2.207 53.925 56.100 0.054 0.000 0.889 307 R CB 0.336 30.649 30.300 0.023 0.000 1.243 307 R HN -0.252 nan 8.270 nan 0.000 0.464 308 P HA 0.318 nan 4.420 nan 0.000 0.271 308 P C -1.175 176.221 177.300 0.161 0.000 1.220 308 P CA -0.210 63.013 63.100 0.205 0.000 0.768 308 P CB 1.233 33.084 31.700 0.252 0.000 0.848 309 A N 3.002 125.952 122.820 0.216 0.000 2.455 309 A HA 0.708 5.028 4.320 -0.000 0.000 0.300 309 A C -0.528 177.268 177.584 0.354 0.000 1.040 309 A CA -0.474 51.627 52.037 0.108 0.000 0.697 309 A CB 0.494 19.555 19.000 0.102 0.000 1.265 309 A HN 0.572 nan 8.150 nan 0.000 0.407 310 F N -0.080 120.005 119.950 0.225 0.000 3.020 310 F HA 0.263 4.790 4.527 -0.000 0.000 0.392 310 F C 0.844 176.526 175.800 -0.198 0.000 1.018 310 F CA -0.274 57.683 58.000 -0.071 0.000 1.045 310 F CB -0.285 38.638 39.000 -0.129 0.000 1.261 310 F HN 0.369 nan 8.300 nan 0.000 0.549 311 N N 2.080 120.609 118.700 -0.285 0.000 2.272 311 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 311 N C 1.667 177.170 175.510 -0.011 0.000 1.014 311 N CA 2.038 55.023 53.050 -0.109 0.000 0.870 311 N CB -0.634 37.773 38.487 -0.133 0.000 0.975 311 N HN 0.628 nan 8.380 nan 0.000 0.433 312 F N -0.442 119.504 119.950 -0.005 0.000 2.293 312 F HA 0.101 4.627 4.527 -0.000 0.000 0.300 312 F C 1.336 177.195 175.800 0.098 0.000 1.086 312 F CA 0.308 58.334 58.000 0.043 0.000 1.375 312 F CB -0.586 38.438 39.000 0.039 0.000 1.045 312 F HN -0.128 nan 8.300 nan 0.000 0.516 313 M N 3.470 122.540 119.600 -0.883 0.000 3.742 313 M HA 0.161 4.641 4.480 -0.000 0.000 0.197 313 M C -0.333 175.883 176.300 -0.140 0.000 1.417 313 M CA -1.149 53.814 55.300 -0.562 0.000 1.653 313 M CB -1.774 30.357 32.600 -0.782 0.000 1.079 313 M HN 0.363 nan 8.290 nan 0.000 0.558 314 D N -1.119 119.285 120.400 0.006 0.000 2.380 314 D HA -0.049 4.591 4.640 -0.000 0.000 0.254 314 D C 0.840 177.264 176.300 0.208 0.000 1.288 314 D CA -0.075 53.978 54.000 0.088 0.000 1.008 314 D CB 0.322 41.183 40.800 0.102 0.000 1.099 314 D HN 0.496 nan 8.370 nan 0.000 0.537 315 E N -1.122 119.224 120.200 0.245 0.000 2.085 315 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 315 E C 2.010 178.875 176.600 0.442 0.000 0.994 315 E CA 1.185 57.796 56.400 0.351 0.000 0.801 315 E CB 0.003 29.845 29.700 0.237 0.000 0.743 315 E HN 0.416 nan 8.360 nan 0.000 0.453 316 M N -0.005 119.784 119.600 0.315 0.000 2.099 316 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 316 M C 2.499 178.962 176.300 0.272 0.000 1.067 316 M CA 1.320 56.790 55.300 0.284 0.000 1.124 316 M CB -0.661 32.064 32.600 0.208 0.000 1.353 316 M HN 0.222 nan 8.290 nan 0.000 0.410 317 A N -0.228 122.756 122.820 0.275 0.000 1.902 317 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 317 A C 2.073 179.862 177.584 0.342 0.000 1.181 317 A CA 1.281 53.491 52.037 0.288 0.000 0.623 317 A CB -1.390 17.781 19.000 0.286 0.000 0.818 317 A HN 0.781 nan 8.150 nan 0.000 0.443 318 W N 0.568 121.963 121.300 0.159 0.000 2.342 318 W HA -0.224 4.436 4.660 -0.000 0.000 0.297 318 W C 2.256 178.863 176.519 0.146 0.000 1.213 318 W CA 1.733 59.173 57.345 0.159 0.000 1.251 318 W CB -0.049 29.516 29.460 0.174 0.000 1.136 318 W HN 0.441 nan 8.180 nan 0.000 0.526 319 A N 0.599 123.446 122.820 0.045 0.000 1.897 319 A HA -0.022 4.297 4.320 -0.000 0.000 0.215 319 A C 2.090 179.633 177.584 -0.067 0.000 1.181 319 A CA 2.072 53.966 52.037 -0.238 0.000 0.620 319 A CB -1.324 17.559 19.000 -0.196 0.000 0.821 319 A HN 0.287 nan 8.150 nan 0.000 0.443 320 A N -0.652 122.232 122.820 0.107 0.000 1.892 320 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 320 A C 2.315 179.990 177.584 0.151 0.000 1.188 320 A CA 2.583 54.725 52.037 0.176 0.000 0.631 320 A CB -1.402 17.714 19.000 0.194 0.000 0.822 320 A HN 0.429 nan 8.150 nan 0.000 0.447 321 T N -2.089 112.528 114.554 0.104 0.000 2.821 321 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 321 T C 1.769 176.439 174.700 -0.050 0.000 1.046 321 T CA 1.477 63.680 62.100 0.171 0.000 1.139 321 T CB -0.390 68.533 68.868 0.092 0.000 0.871 321 T HN 0.512 nan 8.240 nan 0.000 0.454 322 Y N 1.368 121.361 120.300 -0.513 0.000 2.165 322 Y HA -0.238 4.311 4.550 -0.000 0.000 0.286 322 Y C 2.656 178.383 175.900 -0.288 0.000 1.155 322 Y CA 1.545 59.307 58.100 -0.563 0.000 1.164 322 Y CB -0.208 37.788 38.460 -0.772 0.000 0.978 322 Y HN 0.349 nan 8.280 nan 0.000 0.513 323 H N -1.690 117.408 119.070 0.048 0.000 2.357 323 H HA -0.121 4.435 4.556 -0.000 0.000 0.301 323 H C 2.462 177.784 175.328 -0.009 0.000 1.082 323 H CA 1.746 57.809 56.048 0.024 0.000 1.342 323 H CB -0.531 29.231 29.762 0.001 0.000 1.389 323 H HN 0.260 nan 8.280 nan 0.000 0.511 324 V N 1.232 121.193 119.914 0.079 0.000 2.407 324 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 324 V C 2.800 178.886 176.094 -0.014 0.000 1.055 324 V CA 1.184 63.451 62.300 -0.055 0.000 1.049 324 V CB -0.602 30.920 31.823 -0.502 0.000 0.662 324 V HN 0.228 nan 8.190 nan 0.000 0.455 325 L N -0.924 120.300 121.223 0.001 0.000 2.056 325 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 325 L C 2.410 179.335 176.870 0.092 0.000 1.078 325 L CA 1.389 56.227 54.840 -0.003 0.000 0.749 325 L CB -0.442 41.403 42.059 -0.357 0.000 0.901 325 L HN 0.289 nan 8.230 nan 0.000 0.433 326 L N -0.497 120.773 121.223 0.078 0.000 2.042 326 L HA -0.261 4.078 4.340 -0.000 0.000 0.210 326 L C 2.587 179.429 176.870 -0.047 0.000 1.076 326 L CA 1.497 56.355 54.840 0.030 0.000 0.749 326 L CB -0.348 41.707 42.059 -0.008 0.000 0.893 326 L HN 0.370 nan 8.230 nan 0.000 0.432 327 E N -1.161 118.995 120.200 -0.073 0.000 2.250 327 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 327 E C 1.225 177.556 176.600 -0.448 0.000 0.986 327 E CA 0.672 56.930 56.400 -0.237 0.000 0.849 327 E CB 0.306 29.843 29.700 -0.272 0.000 0.797 327 E HN 0.608 nan 8.360 nan 0.000 0.482 328 H N -2.052 116.882 119.070 -0.226 0.000 2.986 328 H HA 0.158 4.714 4.556 -0.000 0.000 0.267 328 H C -0.495 174.221 175.328 -1.020 0.000 1.072 328 H CA -0.446 55.349 56.048 -0.421 0.000 1.202 328 H CB 0.442 30.055 29.762 -0.247 0.000 1.535 328 H HN 0.004 nan 8.280 nan 0.000 0.522 329 F N 2.504 121.965 119.950 -0.814 0.000 2.443 329 F HA 0.270 4.797 4.527 -0.000 0.000 0.353 329 F C -0.343 175.062 175.800 -0.658 0.000 1.101 329 F CA -0.288 57.105 58.000 -1.012 0.000 1.226 329 F CB 0.695 39.524 39.000 -0.285 0.000 1.140 329 F HN -0.026 nan 8.300 nan 0.000 0.557 330 Q N 7.799 126.662 119.800 -1.562 0.000 2.363 330 Q HA 0.326 4.666 4.340 -0.000 0.000 0.265 330 Q C -2.448 172.952 176.000 -1.001 0.000 1.032 330 Q CA -2.293 52.961 55.803 -0.915 0.000 0.746 330 Q CB 1.533 29.993 28.738 -0.463 0.000 1.237 330 Q HN 0.411 nan 8.270 nan 0.000 0.475 331 P HA -0.064 nan 4.420 nan 0.000 0.265 331 P C 0.869 178.077 177.300 -0.153 0.000 1.187 331 P CA 1.016 63.967 63.100 -0.249 0.000 0.766 331 P CB 0.641 32.356 31.700 0.025 0.000 0.820 332 G N 1.318 110.085 108.800 -0.055 0.000 2.253 332 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.251 332 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.251 332 G C 0.108 174.997 174.900 -0.018 0.000 0.998 332 G CA 0.125 45.208 45.100 -0.027 0.000 0.621 332 G HN 0.675 nan 8.290 nan 0.000 0.524 333 D N 1.461 121.841 120.400 -0.033 0.000 2.316 333 D HA 0.436 5.076 4.640 -0.000 0.000 0.245 333 D C -0.854 175.482 176.300 0.061 0.000 1.171 333 D CA -1.726 52.298 54.000 0.040 0.000 0.856 333 D CB 1.546 42.432 40.800 0.144 0.000 1.090 333 D HN 0.117 nan 8.370 nan 0.000 0.476 334 P HA -0.068 nan 4.420 nan 0.000 0.220 334 P C 0.643 177.955 177.300 0.020 0.000 1.148 334 P CA 0.721 63.835 63.100 0.023 0.000 0.803 334 P CB 0.486 32.187 31.700 0.003 0.000 0.782 335 D N -1.986 118.414 120.400 0.000 0.000 2.162 335 D HA -0.091 4.548 4.640 -0.000 0.000 0.203 335 D C 1.895 178.153 176.300 -0.069 0.000 0.967 335 D CA 0.886 54.843 54.000 -0.071 0.000 0.840 335 D CB -0.622 40.092 40.800 -0.144 0.000 0.972 335 D HN 0.255 nan 8.370 nan 0.000 0.482 336 W N 2.056 123.369 121.300 0.022 0.000 2.358 336 W HA -0.090 4.570 4.660 -0.000 0.000 0.303 336 W C 2.479 179.163 176.519 0.275 0.000 1.208 336 W CA 0.684 58.081 57.345 0.087 0.000 1.274 336 W CB -0.028 29.318 29.460 -0.190 0.000 1.138 336 W HN 0.004 nan 8.180 nan 0.000 0.515 337 E N -0.016 120.423 120.200 0.399 0.000 2.031 337 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 337 E C 1.842 178.587 176.600 0.242 0.000 0.994 337 E CA 1.581 58.214 56.400 0.388 0.000 0.800 337 E CB -0.358 29.470 29.700 0.214 0.000 0.752 337 E HN 0.149 nan 8.360 nan 0.000 0.447 338 E N 1.215 121.478 120.200 0.105 0.000 2.077 338 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 338 E C 1.934 178.572 176.600 0.063 0.000 0.989 338 E CA 0.697 57.116 56.400 0.033 0.000 0.800 338 E CB -0.223 29.432 29.700 -0.075 0.000 0.746 338 E HN 0.117 nan 8.360 nan 0.000 0.452 339 L N -0.040 121.205 121.223 0.036 0.000 2.046 339 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 339 L C 2.298 179.224 176.870 0.092 0.000 1.077 339 L CA 1.512 56.345 54.840 -0.013 0.000 0.747 339 L CB -0.687 41.337 42.059 -0.058 0.000 0.896 339 L HN 0.382 nan 8.230 nan 0.000 0.432 340 L N -1.498 119.850 121.223 0.209 0.000 2.046 340 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 340 L C 2.310 179.259 176.870 0.131 0.000 1.077 340 L CA 1.820 56.705 54.840 0.075 0.000 0.747 340 L CB -0.924 41.051 42.059 -0.140 0.000 0.896 340 L HN 0.303 nan 8.230 nan 0.000 0.432 341 F N 0.552 120.520 119.950 0.031 0.000 2.095 341 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 341 F C 2.338 178.206 175.800 0.114 0.000 1.104 341 F CA 2.066 60.112 58.000 0.077 0.000 1.232 341 F CB -0.257 38.749 39.000 0.011 0.000 0.987 341 F HN 0.054 nan 8.300 nan 0.000 0.475 342 K N -0.299 120.137 120.400 0.060 0.000 2.026 342 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 342 K C 1.953 178.532 176.600 -0.036 0.000 1.048 342 K CA 1.318 57.568 56.287 -0.061 0.000 0.929 342 K CB -0.586 31.849 32.500 -0.109 0.000 0.713 342 K HN 0.195 nan 8.250 nan 0.000 0.439 343 L N 0.195 121.445 121.223 0.045 0.000 1.990 343 L HA -0.218 4.121 4.340 -0.000 0.000 0.213 343 L C 2.156 179.140 176.870 0.190 0.000 1.072 343 L CA 1.733 56.666 54.840 0.155 0.000 0.755 343 L CB -1.181 40.965 42.059 0.146 0.000 0.889 343 L HN 0.375 nan 8.230 nan 0.000 0.432 344 W N 0.261 121.527 121.300 -0.056 0.000 2.381 344 W HA -0.193 4.466 4.660 -0.000 0.000 0.301 344 W C 2.509 178.756 176.519 -0.453 0.000 1.205 344 W CA 2.109 59.289 57.345 -0.274 0.000 1.285 344 W CB -0.497 28.859 29.460 -0.173 0.000 1.133 344 W HN 0.052 nan 8.180 nan 0.000 0.521 345 T N 0.236 114.508 114.554 -0.471 0.000 2.665 345 T HA -0.324 4.026 4.350 -0.000 0.000 0.268 345 T C 1.784 176.161 174.700 -0.537 0.000 1.035 345 T CA 3.150 64.841 62.100 -0.682 0.000 1.151 345 T CB -1.041 67.470 68.868 -0.594 0.000 0.862 345 T HN 0.447 nan 8.240 nan 0.000 0.438 346 T N 0.670 115.036 114.554 -0.314 0.000 2.788 346 T HA -0.132 4.217 4.350 -0.000 0.000 0.268 346 T C 1.984 176.441 174.700 -0.406 0.000 1.044 346 T CA 1.328 63.286 62.100 -0.236 0.000 1.139 346 T CB -0.274 68.538 68.868 -0.093 0.000 0.867 346 T HN 0.196 nan 8.240 nan 0.000 0.454 347 R N 1.259 121.419 120.500 -0.565 0.000 2.081 347 R HA 0.050 4.390 4.340 -0.000 0.000 0.235 347 R C 2.281 178.183 176.300 -0.664 0.000 1.131 347 R CA 1.480 57.158 56.100 -0.704 0.000 0.960 347 R CB -1.278 28.238 30.300 -1.308 0.000 0.856 347 R HN 0.376 nan 8.270 nan 0.000 0.436 348 V N 0.824 120.230 119.914 -0.848 0.000 2.295 348 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 348 V C 2.365 178.195 176.094 -0.439 0.000 1.049 348 V CA 1.984 63.842 62.300 -0.736 0.000 1.024 348 V CB -0.471 30.684 31.823 -1.112 0.000 0.648 348 V HN 0.302 nan 8.190 nan 0.000 0.447 349 L N 0.266 121.182 121.223 -0.512 0.000 2.046 349 L HA -0.189 4.150 4.340 -0.000 0.000 0.208 349 L C 2.586 179.118 176.870 -0.564 0.000 1.077 349 L CA 1.829 56.315 54.840 -0.591 0.000 0.747 349 L CB -0.796 40.752 42.059 -0.853 0.000 0.896 349 L HN 0.452 nan 8.230 nan 0.000 0.432 350 N N 0.068 118.558 118.700 -0.350 0.000 2.104 350 N HA -0.295 4.445 4.740 -0.000 0.000 0.190 350 N C 2.042 177.443 175.510 -0.181 0.000 1.024 350 N CA 1.927 54.903 53.050 -0.124 0.000 0.853 350 N CB -0.136 38.281 38.487 -0.116 0.000 1.008 350 N HN 0.412 nan 8.380 nan 0.000 0.424 351 Y N 1.535 121.628 120.300 -0.345 0.000 2.200 351 Y HA -0.078 4.472 4.550 -0.000 0.000 0.290 351 Y C 2.381 178.092 175.900 -0.315 0.000 1.137 351 Y CA 1.968 59.848 58.100 -0.367 0.000 1.163 351 Y CB -0.740 37.491 38.460 -0.382 0.000 0.988 351 Y HN -0.033 nan 8.280 nan 0.000 0.518 352 T N 1.465 115.798 114.554 -0.368 0.000 2.652 352 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 352 T C 1.765 176.231 174.700 -0.389 0.000 1.039 352 T CA 2.122 63.983 62.100 -0.398 0.000 1.153 352 T CB -0.229 68.524 68.868 -0.192 0.000 0.863 352 T HN 0.293 nan 8.240 nan 0.000 0.428 353 M N 1.595 121.013 119.600 -0.304 0.000 2.288 353 M HA 0.055 4.535 4.480 -0.000 0.000 0.266 353 M C 2.536 178.721 176.300 -0.192 0.000 1.072 353 M CA 1.335 56.518 55.300 -0.194 0.000 1.132 353 M CB -1.821 30.752 32.600 -0.044 0.000 1.386 353 M HN 0.475 nan 8.290 nan 0.000 0.432 354 T N -3.428 110.987 114.554 -0.232 0.000 3.014 354 T HA 0.234 4.584 4.350 -0.000 0.000 0.250 354 T C 1.586 176.087 174.700 -0.331 0.000 1.060 354 T CA 0.251 62.217 62.100 -0.223 0.000 1.040 354 T CB 0.069 68.844 68.868 -0.155 0.000 0.971 354 T HN 0.106 nan 8.240 nan 0.000 0.497 355 V N 0.563 120.189 119.914 -0.480 0.000 3.029 355 V HA 0.487 4.607 4.120 -0.000 0.000 0.230 355 V C 2.911 178.694 176.094 -0.518 0.000 1.254 355 V CA 0.520 62.511 62.300 -0.515 0.000 1.276 355 V CB -0.532 30.826 31.823 -0.777 0.000 1.080 355 V HN 0.454 nan 8.190 nan 0.000 0.495 356 A N -0.133 122.220 122.820 -0.777 0.000 2.015 356 A HA -0.099 4.220 4.320 -0.000 0.000 0.219 356 A C 1.959 179.356 177.584 -0.311 0.000 1.163 356 A CA 1.626 53.324 52.037 -0.566 0.000 0.646 356 A CB -0.380 18.250 19.000 -0.616 0.000 0.806 356 A HN 0.398 nan 8.150 nan 0.000 0.448 357 L N -0.465 120.570 121.223 -0.313 0.000 2.478 357 L HA 0.110 4.450 4.340 -0.000 0.000 0.223 357 L C 1.976 178.719 176.870 -0.211 0.000 1.140 357 L CA 1.041 55.747 54.840 -0.224 0.000 0.842 357 L CB -0.462 41.468 42.059 -0.214 0.000 0.953 357 L HN 0.307 nan 8.230 nan 0.000 0.452 358 R N -0.276 120.058 120.500 -0.276 0.000 2.313 358 R HA 0.393 4.733 4.340 -0.000 0.000 0.199 358 R C 0.418 176.626 176.300 -0.152 0.000 0.958 358 R CA 0.510 56.423 56.100 -0.312 0.000 1.047 358 R CB -0.017 29.878 30.300 -0.676 0.000 0.955 358 R HN 0.382 nan 8.270 nan 0.000 0.481 359 G N -0.677 108.080 108.800 -0.072 0.000 2.465 359 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.681 359 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.681 359 G C -0.348 174.608 174.900 0.093 0.000 1.340 359 G CA -0.647 44.474 45.100 0.034 0.000 0.884 359 G HN 0.083 nan 8.290 nan 0.000 0.650 360 Y N 0.575 120.890 120.300 0.025 0.000 2.069 360 Y HA -0.205 4.345 4.550 -0.000 0.000 0.278 360 Y C 2.521 178.461 175.900 0.067 0.000 1.175 360 Y CA 2.931 61.056 58.100 0.041 0.000 1.134 360 Y CB 0.118 38.600 38.460 0.037 0.000 0.965 360 Y HN 0.596 nan 8.280 nan 0.000 0.498 361 D N -1.361 119.170 120.400 0.218 0.000 2.144 361 D HA -0.212 4.428 4.640 -0.000 0.000 0.200 361 D C 1.913 178.237 176.300 0.040 0.000 0.978 361 D CA 1.482 55.566 54.000 0.141 0.000 0.833 361 D CB -0.715 40.184 40.800 0.165 0.000 0.961 361 D HN 0.468 nan 8.370 nan 0.000 0.470 362 Y N 1.819 122.105 120.300 -0.023 0.000 2.114 362 Y HA -0.189 4.361 4.550 -0.000 0.000 0.284 362 Y C 2.349 178.214 175.900 -0.057 0.000 1.143 362 Y CA 1.879 59.958 58.100 -0.034 0.000 1.135 362 Y CB -0.450 37.979 38.460 -0.052 0.000 0.980 362 Y HN -0.057 nan 8.280 nan 0.000 0.499 363 A N 0.338 123.205 122.820 0.078 0.000 1.892 363 A HA -0.270 4.049 4.320 -0.000 0.000 0.218 363 A C 2.149 179.662 177.584 -0.118 0.000 1.188 363 A CA 2.037 54.058 52.037 -0.027 0.000 0.631 363 A CB -0.837 18.084 19.000 -0.132 0.000 0.822 363 A HN 0.628 nan 8.150 nan 0.000 0.447 364 Q N -0.611 119.043 119.800 -0.243 0.000 2.061 364 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 364 Q C 2.283 178.248 176.000 -0.060 0.000 0.984 364 Q CA 2.053 57.734 55.803 -0.204 0.000 0.846 364 Q CB -0.345 28.305 28.738 -0.145 0.000 0.902 364 Q HN 0.845 nan 8.270 nan 0.000 0.421 365 Q N -0.609 119.140 119.800 -0.085 0.000 2.084 365 Q HA -0.199 4.140 4.340 -0.000 0.000 0.202 365 Q C 1.879 177.776 176.000 -0.172 0.000 0.978 365 Q CA 1.548 57.293 55.803 -0.096 0.000 0.844 365 Q CB -0.320 28.303 28.738 -0.190 0.000 0.898 365 Q HN 0.410 nan 8.270 nan 0.000 0.426 366 Y N 1.252 121.343 120.300 -0.350 0.000 2.145 366 Y HA -0.229 4.321 4.550 -0.000 0.000 0.286 366 Y C 1.767 177.480 175.900 -0.311 0.000 1.145 366 Y CA 1.381 59.288 58.100 -0.321 0.000 1.148 366 Y CB -0.203 38.107 38.460 -0.249 0.000 0.981 366 Y HN -0.002 nan 8.280 nan 0.000 0.507 367 L N -1.064 119.933 121.223 -0.376 0.000 2.012 367 L HA -0.286 4.054 4.340 -0.000 0.000 0.210 367 L C 2.309 178.793 176.870 -0.643 0.000 1.073 367 L CA 1.777 56.153 54.840 -0.773 0.000 0.748 367 L CB -0.935 40.165 42.059 -1.598 0.000 0.891 367 L HN 0.256 nan 8.230 nan 0.000 0.431 368 Y N -0.103 120.000 120.300 -0.328 0.000 2.181 368 Y HA -0.222 4.328 4.550 -0.000 0.000 0.288 368 Y C 2.779 178.500 175.900 -0.297 0.000 1.146 368 Y CA 1.252 59.238 58.100 -0.191 0.000 1.164 368 Y CB -0.417 37.971 38.460 -0.120 0.000 0.982 368 Y HN 0.035 nan 8.280 nan 0.000 0.515 369 R N -0.518 119.841 120.500 -0.235 0.000 2.115 369 R HA -0.165 4.175 4.340 -0.000 0.000 0.230 369 R C 2.358 178.378 176.300 -0.467 0.000 1.111 369 R CA 1.386 57.291 56.100 -0.325 0.000 0.976 369 R CB -0.344 29.761 30.300 -0.325 0.000 0.870 369 R HN 0.418 nan 8.270 nan 0.000 0.445 370 M N 0.808 120.008 119.600 -0.667 0.000 2.067 370 M HA -0.192 4.288 4.480 -0.000 0.000 0.260 370 M C 1.938 177.855 176.300 -0.638 0.000 1.069 370 M CA 1.749 56.577 55.300 -0.786 0.000 1.117 370 M CB -0.040 32.046 32.600 -0.856 0.000 1.334 370 M HN 0.149 nan 8.290 nan 0.000 0.407 371 L N -0.253 120.749 121.223 -0.367 0.000 2.012 371 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 371 L C 2.685 179.439 176.870 -0.192 0.000 1.073 371 L CA 1.590 56.316 54.840 -0.189 0.000 0.748 371 L CB -1.648 40.328 42.059 -0.138 0.000 0.891 371 L HN 0.522 nan 8.230 nan 0.000 0.431 372 G N -0.284 108.358 108.800 -0.264 0.000 2.476 372 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 372 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 372 G C 1.754 176.472 174.900 -0.304 0.000 1.164 372 G CA 0.627 45.553 45.100 -0.289 0.000 0.768 372 G HN 0.289 nan 8.290 nan 0.000 0.560 373 R N -1.084 119.239 120.500 -0.294 0.000 2.081 373 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 373 R C 2.393 178.716 176.300 0.039 0.000 1.131 373 R CA 1.278 57.271 56.100 -0.178 0.000 0.960 373 R CB -0.426 29.747 30.300 -0.212 0.000 0.856 373 R HN 0.399 nan 8.270 nan 0.000 0.436 374 Y N 0.721 120.993 120.300 -0.046 0.000 2.181 374 Y HA -0.156 4.393 4.550 -0.000 0.000 0.288 374 Y C 2.361 178.277 175.900 0.027 0.000 1.146 374 Y CA 0.896 58.991 58.100 -0.009 0.000 1.164 374 Y CB -0.532 37.903 38.460 -0.042 0.000 0.982 374 Y HN -0.000 nan 8.280 nan 0.000 0.515 375 R N -1.315 119.297 120.500 0.187 0.000 2.070 375 R HA -0.208 4.132 4.340 -0.000 0.000 0.233 375 R C 2.124 178.579 176.300 0.258 0.000 1.137 375 R CA 1.683 57.889 56.100 0.176 0.000 0.945 375 R CB -0.595 29.806 30.300 0.169 0.000 0.845 375 R HN 0.255 nan 8.270 nan 0.000 0.430 376 Y N 1.112 121.438 120.300 0.043 0.000 2.165 376 Y HA -0.252 4.298 4.550 -0.000 0.000 0.286 376 Y C 2.533 178.465 175.900 0.053 0.000 1.155 376 Y CA 1.169 59.294 58.100 0.041 0.000 1.164 376 Y CB -0.830 37.658 38.460 0.047 0.000 0.978 376 Y HN 0.221 nan 8.280 nan 0.000 0.513 377 Q N -0.244 119.709 119.800 0.254 0.000 2.050 377 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 377 Q C 2.387 178.462 176.000 0.125 0.000 0.980 377 Q CA 1.693 57.603 55.803 0.179 0.000 0.840 377 Q CB -0.228 28.632 28.738 0.204 0.000 0.898 377 Q HN 0.421 nan 8.270 nan 0.000 0.424 378 A N 0.657 123.549 122.820 0.119 0.000 1.933 378 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 378 A C 2.224 179.845 177.584 0.061 0.000 1.175 378 A CA 1.675 53.757 52.037 0.075 0.000 0.628 378 A CB -0.813 18.220 19.000 0.055 0.000 0.814 378 A HN 0.554 nan 8.150 nan 0.000 0.444 379 A N -0.372 122.483 122.820 0.058 0.000 2.014 379 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 379 A C 2.056 179.687 177.584 0.078 0.000 1.163 379 A CA 1.186 53.265 52.037 0.071 0.000 0.652 379 A CB -0.493 18.504 19.000 -0.005 0.000 0.808 379 A HN 0.478 nan 8.150 nan 0.000 0.449 380 L N -1.356 119.899 121.223 0.054 0.000 2.141 380 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 380 L C 1.108 178.000 176.870 0.036 0.000 1.094 380 L CA 0.491 55.355 54.840 0.041 0.000 0.763 380 L CB -0.695 41.390 42.059 0.044 0.000 0.908 380 L HN 0.393 nan 8.230 nan 0.000 0.437 381 E N 0.000 120.220 120.200 0.034 0.000 2.725 381 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 381 E CA 0.000 56.408 56.400 0.013 0.000 0.976 381 E CB 0.000 29.712 29.700 0.020 0.000 0.812 381 E HN 0.000 nan 8.360 nan 0.000 0.440