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 3hl9_1_A DATA FIRST_RESID 10 DATA SEQUENCE AADPVVLMET AFRKAVKSRQ IPGAVIMARD ASGNLNYTRC FGARTVRRDE DATA SEQUENCE NNQLPPLQVD TPCRLASATK LLTTIMALQC MERGLVDLDE TVDRLLPDLS DATA SEQUENCE AMPVLEGFDD AGNARLRERR GKITLRHLLT HTSGLSYVFL HPLLREYMAQ DATA SEQUENCE GHLQSAEKFG IQSRLAPPAV NDPGAEWIYG ANLDWAGKLV ERATGLDLEQ DATA SEQUENCE YLQENICAPL GITDMTFKLQ QRPDMLARRA DQTHRNSADG RLRYDXXXXX DATA SEQUENCE XXXXXXCFGG QGVFSGPGSY MKVLHSLLKR DGLLLQPQTV DLMFQPALEP DATA SEQUENCE RLEEQMNQHM DASPHINYGG PMPMVLRRSF GLGGIIALED LDGENWRRKG DATA SEQUENCE SLTFGGGPNI VWQIDPKAGL CTLAFFQLEP WNDPVCRDLT RTFEHAIYAQ DATA SEQUENCE YQQG 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.620 177.584 0.060 0.000 1.274 10 A CA 0.000 52.086 52.037 0.081 0.000 0.836 10 A CB 0.000 19.068 19.000 0.113 0.000 0.831 11 A N 0.855 123.705 122.820 0.050 0.000 2.406 11 A HA 0.463 5.225 4.320 0.737 0.000 0.243 11 A C 0.825 178.431 177.584 0.038 0.000 1.082 11 A CA 0.655 52.713 52.037 0.035 0.000 0.786 11 A CB -0.145 18.868 19.000 0.022 0.000 1.029 11 A HN 0.834 nan 8.150 nan 0.000 0.495 12 D N 1.089 121.507 120.400 0.029 0.000 2.126 12 D HA -0.134 4.948 4.640 0.737 0.000 0.190 12 D C -0.707 175.612 176.300 0.032 0.000 1.001 12 D CA 2.419 56.435 54.000 0.028 0.000 0.841 12 D CB -1.455 39.357 40.800 0.020 0.000 0.949 12 D HN 0.444 nan 8.370 nan 0.000 0.446 13 P HA -0.042 nan 4.420 nan 0.000 0.217 13 P C 1.656 178.984 177.300 0.046 0.000 1.151 13 P CA 0.569 63.687 63.100 0.029 0.000 0.828 13 P CB 0.129 31.843 31.700 0.022 0.000 0.788 14 V N -0.009 119.930 119.914 0.043 0.000 2.667 14 V HA -0.149 4.413 4.120 0.737 0.000 0.252 14 V C 2.512 178.677 176.094 0.118 0.000 1.065 14 V CA 1.826 64.162 62.300 0.060 0.000 1.083 14 V CB -1.182 30.648 31.823 0.011 0.000 0.692 14 V HN 0.041 nan 8.190 nan 0.000 0.468 15 V N -2.204 117.769 119.914 0.099 0.000 2.488 15 V HA -0.095 4.467 4.120 0.737 0.000 0.246 15 V C 2.171 178.324 176.094 0.099 0.000 1.046 15 V CA 1.341 63.706 62.300 0.108 0.000 1.053 15 V CB -0.765 31.107 31.823 0.083 0.000 0.679 15 V HN 0.401 nan 8.190 nan 0.000 0.458 16 L N -0.585 120.683 121.223 0.076 0.000 2.046 16 L HA -0.146 4.636 4.340 0.737 0.000 0.208 16 L C 2.863 179.784 176.870 0.086 0.000 1.077 16 L CA 2.388 57.266 54.840 0.062 0.000 0.747 16 L CB -0.559 41.522 42.059 0.038 0.000 0.896 16 L HN 0.367 nan 8.230 nan 0.000 0.432 17 M N 0.225 119.897 119.600 0.119 0.000 2.067 17 M HA -0.247 4.675 4.480 0.737 0.000 0.260 17 M C 2.065 178.512 176.300 0.245 0.000 1.069 17 M CA 1.990 57.409 55.300 0.197 0.000 1.117 17 M CB -0.333 32.403 32.600 0.226 0.000 1.334 17 M HN 0.249 nan 8.290 nan 0.000 0.407 18 E N -0.413 119.914 120.200 0.212 0.000 2.085 18 E HA -0.200 4.592 4.350 0.737 0.000 0.194 18 E C 1.805 178.465 176.600 0.101 0.000 0.994 18 E CA 2.146 58.669 56.400 0.205 0.000 0.801 18 E CB -0.166 29.722 29.700 0.315 0.000 0.743 18 E HN 0.724 nan 8.360 nan 0.000 0.453 19 T N -1.340 113.278 114.554 0.107 0.000 2.985 19 T HA 0.086 4.878 4.350 0.737 0.000 0.266 19 T C 2.041 176.757 174.700 0.027 0.000 1.076 19 T CA 0.728 62.868 62.100 0.067 0.000 1.135 19 T CB -0.029 68.877 68.868 0.065 0.000 0.890 19 T HN 0.136 nan 8.240 nan 0.000 0.480 20 A N 0.697 123.540 122.820 0.039 0.000 1.972 20 A HA 0.142 4.904 4.320 0.737 0.000 0.219 20 A C 1.934 179.470 177.584 -0.081 0.000 1.169 20 A CA 0.960 52.990 52.037 -0.012 0.000 0.635 20 A CB -1.069 17.930 19.000 -0.002 0.000 0.810 20 A HN 0.478 nan 8.150 nan 0.000 0.446 21 F N -0.549 119.242 119.950 -0.266 0.000 2.113 21 F HA -0.071 4.895 4.527 0.731 0.000 0.297 21 F C 2.441 178.005 175.800 -0.393 0.000 1.103 21 F CA 1.791 59.519 58.000 -0.453 0.000 1.248 21 F CB -0.212 38.140 39.000 -1.081 0.000 0.999 21 F HN 0.102 nan 8.300 nan 0.000 0.475 22 R N 1.065 121.473 120.500 -0.154 0.000 2.115 22 R HA -0.134 4.648 4.340 0.737 0.000 0.230 22 R C 2.180 178.482 176.300 0.003 0.000 1.111 22 R CA 1.273 57.364 56.100 -0.016 0.000 0.976 22 R CB -0.512 29.833 30.300 0.076 0.000 0.870 22 R HN 0.172 nan 8.270 nan 0.000 0.445 23 K N -0.333 120.055 120.400 -0.020 0.000 2.009 23 K HA -0.118 4.644 4.320 0.737 0.000 0.210 23 K C 1.760 178.338 176.600 -0.035 0.000 1.049 23 K CA 1.702 57.975 56.287 -0.023 0.000 0.929 23 K CB -0.254 32.225 32.500 -0.034 0.000 0.714 23 K HN 0.199 nan 8.250 nan 0.000 0.440 24 A N 0.858 123.635 122.820 -0.071 0.000 1.972 24 A HA -0.067 4.695 4.320 0.737 0.000 0.219 24 A C 2.237 179.807 177.584 -0.024 0.000 1.169 24 A CA 1.387 53.377 52.037 -0.077 0.000 0.635 24 A CB -0.404 18.504 19.000 -0.153 0.000 0.810 24 A HN 0.204 nan 8.150 nan 0.000 0.446 25 V N -0.027 119.892 119.914 0.008 0.000 2.453 25 V HA -0.210 4.352 4.120 0.737 0.000 0.247 25 V C 2.506 178.626 176.094 0.044 0.000 1.048 25 V CA 2.319 64.651 62.300 0.054 0.000 1.049 25 V CB -0.486 31.398 31.823 0.102 0.000 0.672 25 V HN 0.725 nan 8.190 nan 0.000 0.457 26 K N 0.923 121.342 120.400 0.032 0.000 2.116 26 K HA -0.087 4.675 4.320 0.737 0.000 0.203 26 K C 1.879 178.489 176.600 0.016 0.000 1.052 26 K CA 1.352 57.656 56.287 0.029 0.000 0.952 26 K CB -0.153 32.364 32.500 0.028 0.000 0.729 26 K HN 0.550 nan 8.250 nan 0.000 0.446 27 S N 0.389 116.091 115.700 0.004 0.000 2.803 27 S HA 0.140 5.052 4.470 0.737 0.000 0.228 27 S C 0.208 174.806 174.600 -0.004 0.000 0.953 27 S CA -0.147 58.050 58.200 -0.004 0.000 0.983 27 S CB -0.015 63.175 63.200 -0.017 0.000 0.784 27 S HN 0.330 nan 8.310 nan 0.000 0.498 28 R N 0.171 120.675 120.500 0.007 0.000 3.847 28 R HA -0.210 4.573 4.340 0.737 0.000 0.304 28 R C 1.126 177.427 176.300 0.000 0.000 1.203 28 R CA 1.342 57.449 56.100 0.012 0.000 0.835 28 R CB -2.528 27.779 30.300 0.013 0.000 1.253 28 R HN 0.723 nan 8.270 nan 0.000 0.516 29 Q N -0.431 119.360 119.800 -0.015 0.000 2.096 29 Q HA 0.092 4.874 4.340 0.737 0.000 0.197 29 Q C 1.156 177.138 176.000 -0.030 0.000 0.964 29 Q CA 1.581 57.362 55.803 -0.037 0.000 0.838 29 Q CB 0.161 28.860 28.738 -0.064 0.000 0.906 29 Q HN 0.659 nan 8.270 nan 0.000 0.444 30 I N -4.461 116.110 120.570 0.002 0.000 2.957 30 I HA 0.366 4.978 4.170 0.737 0.000 0.310 30 I C -2.422 173.748 176.117 0.088 0.000 1.063 30 I CA -2.684 58.648 61.300 0.053 0.000 1.033 30 I CB 1.905 39.976 38.000 0.119 0.000 1.230 30 I HN -0.239 nan 8.210 nan 0.000 0.447 31 P HA 0.251 nan 4.420 nan 0.000 0.221 31 P C 0.355 177.740 177.300 0.142 0.000 1.155 31 P CA 0.573 63.745 63.100 0.121 0.000 0.812 31 P CB 0.249 32.026 31.700 0.129 0.000 0.801 32 G N -1.824 107.088 108.800 0.186 0.000 2.321 32 G HA2 0.533 4.935 3.960 0.737 0.000 0.298 32 G HA3 0.533 4.935 3.960 0.737 0.000 0.298 32 G C -2.136 172.864 174.900 0.166 0.000 1.385 32 G CA 0.011 45.225 45.100 0.191 0.000 0.856 32 G HN 0.173 nan 8.290 nan 0.000 0.584 33 A N -0.984 121.904 122.820 0.114 0.000 2.577 33 A HA 0.772 5.534 4.320 0.737 0.000 0.297 33 A C -1.237 176.309 177.584 -0.063 0.000 1.060 33 A CA -0.408 51.539 52.037 -0.151 0.000 0.697 33 A CB 1.749 20.520 19.000 -0.381 0.000 1.281 33 A HN 1.798 nan 8.150 nan 0.000 0.402 34 V N 3.430 123.254 119.914 -0.150 0.000 2.370 34 V HA 0.603 5.165 4.120 0.737 0.000 0.283 34 V C -0.026 175.957 176.094 -0.184 0.000 1.023 34 V CA -0.228 61.968 62.300 -0.174 0.000 0.857 34 V CB 0.912 32.622 31.823 -0.188 0.000 0.985 34 V HN 0.829 nan 8.190 nan 0.000 0.443 35 I N 2.550 122.965 120.570 -0.260 0.000 2.689 35 I HA 0.860 5.472 4.170 0.737 0.000 0.299 35 I C -0.822 175.232 176.117 -0.104 0.000 1.059 35 I CA -0.925 60.174 61.300 -0.335 0.000 1.055 35 I CB 2.411 39.930 38.000 -0.802 0.000 1.243 35 I HN 0.518 nan 8.210 nan 0.000 0.425 36 M N 4.522 124.207 119.600 0.141 0.000 2.365 36 M HA 0.748 5.670 4.480 0.737 0.000 0.287 36 M C -1.139 175.456 176.300 0.491 0.000 1.154 36 M CA -0.429 55.037 55.300 0.277 0.000 0.941 36 M CB 2.380 35.062 32.600 0.137 0.000 1.704 36 M HN 0.851 nan 8.290 nan 0.000 0.479 37 A N 2.270 125.347 122.820 0.429 0.000 2.435 37 A HA 1.022 5.784 4.320 0.737 0.000 0.304 37 A C -1.189 176.442 177.584 0.078 0.000 1.064 37 A CA -0.650 51.536 52.037 0.248 0.000 0.727 37 A CB 2.013 21.098 19.000 0.142 0.000 1.284 37 A HN 0.821 nan 8.150 nan 0.000 0.415 38 R N 0.185 120.666 120.500 -0.032 0.000 2.739 38 R HA 0.600 5.382 4.340 0.737 0.000 0.271 38 R C -1.770 174.460 176.300 -0.116 0.000 1.010 38 R CA -0.407 55.618 56.100 -0.125 0.000 0.897 38 R CB 1.833 31.939 30.300 -0.325 0.000 1.236 38 R HN 0.942 nan 8.270 nan 0.000 0.466 39 D N 0.143 120.511 120.400 -0.054 0.000 2.477 39 D HA 0.357 5.439 4.640 0.737 0.000 0.234 39 D C 0.152 176.522 176.300 0.117 0.000 1.048 39 D CA -0.556 53.407 54.000 -0.063 0.000 0.959 39 D CB 1.505 42.192 40.800 -0.188 0.000 1.408 39 D HN 0.430 nan 8.370 nan 0.000 0.496 40 A N 0.633 123.486 122.820 0.055 0.000 2.024 40 A HA -0.129 4.633 4.320 0.737 0.000 0.220 40 A C 1.848 179.449 177.584 0.028 0.000 1.164 40 A CA 1.784 53.838 52.037 0.029 0.000 0.643 40 A CB -0.826 18.178 19.000 0.007 0.000 0.806 40 A HN 0.532 nan 8.150 nan 0.000 0.451 41 S N -1.483 114.259 115.700 0.070 0.000 2.507 41 S HA 0.238 5.150 4.470 0.737 0.000 0.235 41 S C 1.812 176.453 174.600 0.068 0.000 0.988 41 S CA 1.128 59.366 58.200 0.064 0.000 0.944 41 S CB -0.323 62.932 63.200 0.091 0.000 0.762 41 S HN 1.572 nan 8.310 nan 0.000 0.526 42 G N 2.636 111.505 108.800 0.116 0.000 2.507 42 G HA2 -0.489 3.913 3.960 0.737 0.000 0.240 42 G HA3 -0.489 3.913 3.960 0.737 0.000 0.240 42 G C 0.985 175.977 174.900 0.153 0.000 1.119 42 G CA 0.928 46.139 45.100 0.185 0.000 0.664 42 G HN 0.710 nan 8.290 nan 0.000 0.516 43 N N 0.766 119.532 118.700 0.109 0.000 2.120 43 N HA 0.119 5.301 4.740 0.737 0.000 0.188 43 N C 1.273 176.836 175.510 0.088 0.000 1.024 43 N CA 1.420 54.523 53.050 0.090 0.000 0.852 43 N CB -0.368 38.168 38.487 0.081 0.000 1.003 43 N HN 1.052 nan 8.380 nan 0.000 0.424 44 L N 1.124 122.405 121.223 0.096 0.000 2.513 44 L HA 0.277 5.059 4.340 0.737 0.000 0.272 44 L C -0.638 176.251 176.870 0.032 0.000 1.187 44 L CA 0.452 55.334 54.840 0.070 0.000 0.895 44 L CB -0.269 41.787 42.059 -0.006 0.000 1.147 44 L HN 0.379 nan 8.230 nan 0.000 0.483 45 N N 4.623 123.358 118.700 0.059 0.000 2.722 45 N HA 0.081 5.263 4.740 0.737 0.000 0.242 45 N C -1.966 173.598 175.510 0.089 0.000 1.398 45 N CA -0.386 52.686 53.050 0.036 0.000 0.755 45 N CB 0.207 38.701 38.487 0.013 0.000 1.268 45 N HN 0.646 nan 8.380 nan 0.000 0.522 46 Y N 1.711 122.001 120.300 -0.018 0.000 2.341 46 Y HA 0.579 5.569 4.550 0.733 0.000 0.337 46 Y C -0.413 175.490 175.900 0.004 0.000 1.014 46 Y CA -0.226 57.878 58.100 0.008 0.000 1.111 46 Y CB 1.541 40.028 38.460 0.045 0.000 1.194 46 Y HN 0.220 nan 8.280 nan 0.000 0.462 47 T N 7.385 121.624 114.554 -0.525 0.000 3.842 47 T HA 0.467 5.259 4.350 0.737 0.000 0.336 47 T C -1.979 172.386 174.700 -0.558 0.000 0.900 47 T CA -0.877 60.979 62.100 -0.407 0.000 1.022 47 T CB 0.001 68.744 68.868 -0.208 0.000 1.068 47 T HN 0.669 nan 8.240 nan 0.000 0.464 48 R N 3.189 123.311 120.500 -0.631 0.000 2.532 48 R HA 0.576 5.358 4.340 0.737 0.000 0.297 48 R C -0.775 175.056 176.300 -0.781 0.000 0.984 48 R CA -0.562 55.106 56.100 -0.720 0.000 0.884 48 R CB 1.057 30.880 30.300 -0.795 0.000 1.182 48 R HN 0.668 nan 8.270 nan 0.000 0.442 49 C N 2.952 121.804 119.300 -0.746 0.000 2.365 49 C HA 0.706 5.608 4.460 0.737 0.000 0.351 49 C C -0.442 174.070 174.990 -0.798 0.000 1.240 49 C CA -0.462 58.195 59.018 -0.601 0.000 2.062 49 C CB -0.334 27.209 27.740 -0.328 0.000 2.387 49 C HN 0.631 nan 8.230 nan 0.000 0.537 50 F N 1.422 121.322 119.950 -0.084 0.000 2.547 50 F HA 0.689 5.656 4.527 0.733 0.000 0.316 50 F C 0.735 176.542 175.800 0.011 0.000 1.121 50 F CA 0.547 58.538 58.000 -0.014 0.000 0.911 50 F CB 1.237 40.267 39.000 0.049 0.000 1.179 50 F HN 1.044 nan 8.300 nan 0.000 0.443 51 G N 1.250 110.173 108.800 0.205 0.000 2.642 51 G HA2 0.264 4.666 3.960 0.737 0.000 0.231 51 G HA3 0.264 4.666 3.960 0.737 0.000 0.231 51 G C -0.987 173.969 174.900 0.094 0.000 1.338 51 G CA -0.446 44.743 45.100 0.148 0.000 0.883 51 G HN 1.294 nan 8.290 nan 0.000 0.570 52 A N -0.465 122.411 122.820 0.093 0.000 2.320 52 A HA 0.785 5.547 4.320 0.737 0.000 0.334 52 A C 1.364 179.000 177.584 0.087 0.000 1.147 52 A CA 0.684 52.766 52.037 0.076 0.000 0.820 52 A CB 1.130 20.173 19.000 0.073 0.000 1.218 52 A HN 1.646 nan 8.150 nan 0.000 0.482 53 R N 0.384 120.931 120.500 0.077 0.000 2.236 53 R HA 0.052 4.834 4.340 0.737 0.000 0.208 53 R C 0.462 176.832 176.300 0.118 0.000 1.036 53 R CA 1.494 57.650 56.100 0.092 0.000 1.001 53 R CB -0.093 30.250 30.300 0.073 0.000 0.896 53 R HN 0.581 nan 8.270 nan 0.000 0.464 54 T N -1.082 113.541 114.554 0.115 0.000 2.804 54 T HA 0.342 5.134 4.350 0.737 0.000 0.290 54 T C 0.487 175.266 174.700 0.131 0.000 1.099 54 T CA -0.305 61.882 62.100 0.145 0.000 1.011 54 T CB 1.932 70.896 68.868 0.161 0.000 1.291 54 T HN 0.004 nan 8.240 nan 0.000 0.523 55 V N -0.362 119.646 119.914 0.158 0.000 3.661 55 V HA 0.539 5.101 4.120 0.737 0.000 0.271 55 V C 0.899 177.053 176.094 0.099 0.000 1.315 55 V CA -0.003 62.372 62.300 0.124 0.000 1.072 55 V CB -0.448 31.453 31.823 0.131 0.000 0.830 55 V HN 0.677 nan 8.190 nan 0.000 0.443 56 R N 2.287 122.849 120.500 0.104 0.000 2.234 56 R HA 0.375 5.157 4.340 0.737 0.000 0.324 56 R C -0.043 176.243 176.300 -0.023 0.000 1.054 56 R CA -0.495 55.594 56.100 -0.018 0.000 0.912 56 R CB 0.567 30.744 30.300 -0.204 0.000 1.030 56 R HN 0.480 nan 8.270 nan 0.000 0.455 57 R N 2.945 123.427 120.500 -0.030 0.000 2.491 57 R HA 0.008 4.790 4.340 0.737 0.000 0.283 57 R C 0.217 176.497 176.300 -0.032 0.000 1.072 57 R CA -0.436 55.653 56.100 -0.017 0.000 1.048 57 R CB 0.397 30.689 30.300 -0.013 0.000 0.983 57 R HN 0.725 nan 8.270 nan 0.000 0.450 58 D N 1.794 122.184 120.400 -0.016 0.000 2.356 58 D HA -0.068 5.014 4.640 0.737 0.000 0.258 58 D C 0.407 176.695 176.300 -0.020 0.000 1.279 58 D CA -0.219 53.770 54.000 -0.018 0.000 1.016 58 D CB 0.381 41.178 40.800 -0.006 0.000 1.107 58 D HN 0.442 nan 8.370 nan 0.000 0.544 59 E N -1.186 119.004 120.200 -0.017 0.000 2.265 59 E HA -0.134 4.658 4.350 0.737 0.000 0.196 59 E C 0.832 177.426 176.600 -0.011 0.000 0.996 59 E CA 1.256 57.647 56.400 -0.015 0.000 0.832 59 E CB -0.491 29.202 29.700 -0.012 0.000 0.756 59 E HN 0.477 nan 8.360 nan 0.000 0.491 60 N N 0.142 118.838 118.700 -0.008 0.000 2.235 60 N HA 0.092 5.274 4.740 0.737 0.000 0.209 60 N C -0.262 175.247 175.510 -0.003 0.000 1.122 60 N CA 0.004 53.051 53.050 -0.005 0.000 0.845 60 N CB 0.439 38.924 38.487 -0.003 0.000 1.004 60 N HN 0.005 nan 8.380 nan 0.000 0.499 61 N N 0.573 119.270 118.700 -0.005 0.000 2.800 61 N HA -0.197 4.985 4.740 0.737 0.000 0.250 61 N C -1.309 174.203 175.510 0.003 0.000 1.078 61 N CA 0.947 53.996 53.050 -0.002 0.000 0.804 61 N CB -0.804 37.682 38.487 -0.002 0.000 1.135 61 N HN 0.543 nan 8.380 nan 0.000 0.565 62 Q N -0.352 119.450 119.800 0.004 0.000 2.387 62 Q HA 0.657 5.439 4.340 0.737 0.000 0.273 62 Q C -0.835 175.172 176.000 0.012 0.000 1.089 62 Q CA -1.241 54.568 55.803 0.009 0.000 0.824 62 Q CB 1.549 30.292 28.738 0.009 0.000 1.367 62 Q HN 0.165 nan 8.270 nan 0.000 0.443 63 L N -0.775 120.460 121.223 0.020 0.000 2.280 63 L HA 0.551 5.333 4.340 0.737 0.000 0.287 63 L C -2.441 174.446 176.870 0.029 0.000 1.023 63 L CA -2.157 52.699 54.840 0.026 0.000 0.819 63 L CB 0.140 42.221 42.059 0.037 0.000 1.212 63 L HN 0.407 nan 8.230 nan 0.000 0.420 64 P HA 0.157 nan 4.420 nan 0.000 0.264 64 P C -2.627 174.689 177.300 0.028 0.000 1.183 64 P CA -0.643 62.471 63.100 0.022 0.000 0.763 64 P CB -0.022 31.690 31.700 0.020 0.000 0.807 65 P HA 0.174 nan 4.420 nan 0.000 0.286 65 P C -0.424 176.881 177.300 0.007 0.000 1.261 65 P CA -0.576 62.535 63.100 0.018 0.000 0.821 65 P CB 0.650 32.354 31.700 0.006 0.000 1.013 66 L N 0.815 122.045 121.223 0.012 0.000 2.466 66 L HA 0.603 5.385 4.340 0.737 0.000 0.257 66 L C 0.319 177.157 176.870 -0.053 0.000 1.189 66 L CA 0.108 54.943 54.840 -0.009 0.000 0.813 66 L CB -0.527 41.538 42.059 0.009 0.000 1.118 66 L HN 0.600 nan 8.230 nan 0.000 0.471 67 Q N 0.108 119.860 119.800 -0.081 0.000 2.756 67 Q HA 0.377 5.159 4.340 0.737 0.000 0.295 67 Q C 0.323 176.240 176.000 -0.138 0.000 0.903 67 Q CA -0.403 55.332 55.803 -0.115 0.000 0.768 67 Q CB 1.323 30.006 28.738 -0.091 0.000 1.472 67 Q HN 0.512 nan 8.270 nan 0.000 0.416 68 V N -2.303 117.522 119.914 -0.149 0.000 2.828 68 V HA -0.220 4.342 4.120 0.737 0.000 0.260 68 V C 1.029 177.042 176.094 -0.134 0.000 1.101 68 V CA 2.332 64.536 62.300 -0.161 0.000 1.123 68 V CB -1.325 30.415 31.823 -0.138 0.000 0.704 68 V HN 0.895 nan 8.190 nan 0.000 0.493 69 D N -0.631 119.710 120.400 -0.098 0.000 2.349 69 D HA 0.048 5.130 4.640 0.737 0.000 0.214 69 D C 0.618 176.885 176.300 -0.055 0.000 1.063 69 D CA 0.196 54.156 54.000 -0.067 0.000 0.847 69 D CB -0.453 40.319 40.800 -0.047 0.000 0.933 69 D HN 0.422 nan 8.370 nan 0.000 0.513 70 T N 2.541 117.052 114.554 -0.072 0.000 2.834 70 T HA 0.213 5.005 4.350 0.737 0.000 0.298 70 T C -2.456 172.237 174.700 -0.012 0.000 0.966 70 T CA -1.111 60.968 62.100 -0.036 0.000 1.141 70 T CB 1.151 70.000 68.868 -0.032 0.000 0.905 70 T HN 0.017 nan 8.240 nan 0.000 0.535 71 P HA 0.306 nan 4.420 nan 0.000 0.271 71 P C -0.835 176.622 177.300 0.263 0.000 1.226 71 P CA -0.383 62.798 63.100 0.135 0.000 0.765 71 P CB 0.133 31.886 31.700 0.088 0.000 0.835 72 C N 3.400 122.906 119.300 0.344 0.000 2.698 72 C HA 0.510 5.412 4.460 0.737 0.000 0.309 72 C C 0.237 175.318 174.990 0.152 0.000 1.186 72 C CA -1.059 58.171 59.018 0.354 0.000 1.474 72 C CB 1.636 29.597 27.740 0.368 0.000 2.020 72 C HN 0.592 nan 8.230 nan 0.000 0.474 73 R N 2.375 122.771 120.500 -0.174 0.000 2.296 73 R HA 0.344 5.126 4.340 0.737 0.000 0.323 73 R C 0.230 176.368 176.300 -0.270 0.000 1.067 73 R CA -0.321 55.337 56.100 -0.736 0.000 0.946 73 R CB 0.271 30.114 30.300 -0.760 0.000 0.991 73 R HN 0.827 nan 8.270 nan 0.000 0.448 74 L N 2.778 123.856 121.223 -0.241 0.000 2.141 74 L HA -0.092 4.690 4.340 0.737 0.000 0.209 74 L C 1.640 178.429 176.870 -0.136 0.000 1.094 74 L CA 1.149 55.898 54.840 -0.152 0.000 0.763 74 L CB -0.997 41.011 42.059 -0.084 0.000 0.908 74 L HN 1.093 nan 8.230 nan 0.000 0.437 75 A N 0.394 123.122 122.820 -0.154 0.000 5.479 75 A HA -0.367 4.395 4.320 0.737 0.000 0.301 75 A C 1.575 179.173 177.584 0.022 0.000 1.961 75 A CA 1.596 53.588 52.037 -0.075 0.000 0.716 75 A CB -1.844 17.111 19.000 -0.076 0.000 1.266 75 A HN 0.332 nan 8.150 nan 0.000 0.372 76 S N 0.466 116.193 115.700 0.044 0.000 2.584 76 S HA 0.222 5.134 4.470 0.737 0.000 0.240 76 S C 1.627 176.395 174.600 0.280 0.000 0.975 76 S CA 1.534 59.834 58.200 0.166 0.000 0.949 76 S CB -0.460 62.814 63.200 0.124 0.000 0.761 76 S HN 1.854 nan 8.310 nan 0.000 0.536 77 A N 1.150 124.081 122.820 0.185 0.000 2.238 77 A HA 0.122 4.884 4.320 0.737 0.000 0.208 77 A C 1.974 179.778 177.584 0.367 0.000 1.177 77 A CA 0.576 52.806 52.037 0.322 0.000 0.804 77 A CB -0.722 18.337 19.000 0.098 0.000 0.823 77 A HN 0.393 nan 8.150 nan 0.000 0.482 78 T N 0.385 115.097 114.554 0.263 0.000 2.915 78 T HA -0.094 4.698 4.350 0.737 0.000 0.269 78 T C 1.841 176.721 174.700 0.298 0.000 1.071 78 T CA 1.269 63.515 62.100 0.243 0.000 1.132 78 T CB -0.113 68.837 68.868 0.136 0.000 0.878 78 T HN 0.521 nan 8.240 nan 0.000 0.479 79 K N 0.935 121.546 120.400 0.352 0.000 2.074 79 K HA -0.118 4.644 4.320 0.737 0.000 0.209 79 K C 2.195 178.953 176.600 0.264 0.000 1.048 79 K CA 1.011 57.487 56.287 0.315 0.000 0.926 79 K CB -0.669 32.050 32.500 0.364 0.000 0.713 79 K HN 0.221 nan 8.250 nan 0.000 0.444 80 L N 2.009 123.414 121.223 0.304 0.000 1.997 80 L HA -0.217 4.565 4.340 0.737 0.000 0.216 80 L C 2.154 179.067 176.870 0.071 0.000 1.074 80 L CA 1.589 56.517 54.840 0.147 0.000 0.763 80 L CB -0.583 41.461 42.059 -0.025 0.000 0.890 80 L HN 0.143 nan 8.230 nan 0.000 0.434 81 L N -1.464 119.816 121.223 0.095 0.000 1.990 81 L HA -0.282 4.500 4.340 0.737 0.000 0.213 81 L C 2.366 179.316 176.870 0.133 0.000 1.072 81 L CA 2.130 57.021 54.840 0.085 0.000 0.755 81 L CB -1.615 40.520 42.059 0.126 0.000 0.889 81 L HN 0.319 nan 8.230 nan 0.000 0.432 82 T N -1.197 113.461 114.554 0.174 0.000 2.720 82 T HA -0.196 4.596 4.350 0.737 0.000 0.268 82 T C 1.905 176.669 174.700 0.108 0.000 1.037 82 T CA 1.976 64.172 62.100 0.159 0.000 1.144 82 T CB -0.431 68.542 68.868 0.175 0.000 0.864 82 T HN 0.339 nan 8.240 nan 0.000 0.444 83 T N 1.980 116.595 114.554 0.103 0.000 2.759 83 T HA -0.010 4.782 4.350 0.737 0.000 0.269 83 T C 1.934 176.670 174.700 0.061 0.000 1.042 83 T CA 0.880 63.025 62.100 0.076 0.000 1.140 83 T CB -0.435 68.484 68.868 0.086 0.000 0.864 83 T HN 0.339 nan 8.240 nan 0.000 0.455 84 I N 0.626 121.232 120.570 0.060 0.000 2.113 84 I HA -0.182 4.430 4.170 0.737 0.000 0.238 84 I C 2.454 178.626 176.117 0.092 0.000 1.070 84 I CA 1.457 62.792 61.300 0.058 0.000 1.332 84 I CB -0.332 37.690 38.000 0.038 0.000 1.044 84 I HN 0.248 nan 8.210 nan 0.000 0.402 85 M N 0.244 119.920 119.600 0.127 0.000 2.267 85 M HA -0.201 4.721 4.480 0.737 0.000 0.263 85 M C 2.348 178.678 176.300 0.050 0.000 1.063 85 M CA 1.807 57.211 55.300 0.173 0.000 1.090 85 M CB -0.472 32.235 32.600 0.177 0.000 1.392 85 M HN 0.337 nan 8.290 nan 0.000 0.422 86 A N 0.435 123.272 122.820 0.028 0.000 1.872 86 A HA -0.042 4.720 4.320 0.737 0.000 0.214 86 A C 2.047 179.643 177.584 0.021 0.000 1.187 86 A CA 1.104 53.142 52.037 0.001 0.000 0.614 86 A CB -0.752 18.253 19.000 0.008 0.000 0.826 86 A HN 0.452 nan 8.150 nan 0.000 0.442 87 L N -0.469 120.778 121.223 0.040 0.000 2.275 87 L HA -0.206 4.576 4.340 0.737 0.000 0.215 87 L C 2.758 179.661 176.870 0.054 0.000 1.119 87 L CA 0.927 55.792 54.840 0.042 0.000 0.790 87 L CB -0.536 41.550 42.059 0.045 0.000 0.919 87 L HN 0.503 nan 8.230 nan 0.000 0.443 88 Q N -0.671 119.178 119.800 0.082 0.000 2.050 88 Q HA -0.204 4.578 4.340 0.737 0.000 0.202 88 Q C 2.507 178.568 176.000 0.101 0.000 0.980 88 Q CA 1.893 57.762 55.803 0.111 0.000 0.840 88 Q CB -0.262 28.597 28.738 0.202 0.000 0.898 88 Q HN 0.586 nan 8.270 nan 0.000 0.424 89 C N 0.561 119.909 119.300 0.080 0.000 2.422 89 C HA -0.092 4.810 4.460 0.737 0.000 0.279 89 C C 2.639 177.646 174.990 0.028 0.000 1.305 89 C CA 0.337 59.382 59.018 0.044 0.000 1.757 89 C CB -0.816 26.914 27.740 -0.017 0.000 1.962 89 C HN 0.560 nan 8.230 nan 0.000 0.499 90 M N 1.251 120.865 119.600 0.023 0.000 2.086 90 M HA -0.146 4.776 4.480 0.737 0.000 0.261 90 M C 2.148 178.460 176.300 0.020 0.000 1.067 90 M CA 1.795 57.104 55.300 0.015 0.000 1.116 90 M CB -0.871 31.737 32.600 0.013 0.000 1.348 90 M HN 0.457 nan 8.290 nan 0.000 0.407 91 E N -0.078 120.139 120.200 0.029 0.000 2.033 91 E HA -0.236 4.556 4.350 0.737 0.000 0.199 91 E C 1.867 178.483 176.600 0.027 0.000 1.011 91 E CA 1.672 58.088 56.400 0.028 0.000 0.815 91 E CB -0.165 29.555 29.700 0.034 0.000 0.755 91 E HN 0.518 nan 8.360 nan 0.000 0.451 92 R N -0.850 119.672 120.500 0.037 0.000 2.377 92 R HA -0.040 4.742 4.340 0.737 0.000 0.207 92 R C 1.336 177.651 176.300 0.026 0.000 1.075 92 R CA 0.564 56.685 56.100 0.036 0.000 1.035 92 R CB 0.070 30.403 30.300 0.055 0.000 0.857 92 R HN 0.396 nan 8.270 nan 0.000 0.475 93 G N 0.170 108.982 108.800 0.020 0.000 2.194 93 G HA2 -0.281 4.121 3.960 0.737 0.000 0.236 93 G HA3 -0.281 4.121 3.960 0.737 0.000 0.236 93 G C 0.734 175.640 174.900 0.009 0.000 0.987 93 G CA 0.040 45.147 45.100 0.012 0.000 0.635 93 G HN 0.261 nan 8.290 nan 0.000 0.520 94 L N 0.195 121.426 121.223 0.013 0.000 2.275 94 L HA 0.262 5.044 4.340 0.737 0.000 0.215 94 L C 1.647 178.515 176.870 -0.004 0.000 1.119 94 L CA 1.578 56.422 54.840 0.007 0.000 0.790 94 L CB -0.362 41.703 42.059 0.010 0.000 0.919 94 L HN 0.626 nan 8.230 nan 0.000 0.443 95 V N -5.370 114.541 119.914 -0.005 0.000 3.112 95 V HA 0.688 5.250 4.120 0.737 0.000 0.310 95 V C -1.827 174.260 176.094 -0.011 0.000 1.364 95 V CA -1.026 61.267 62.300 -0.012 0.000 1.058 95 V CB 2.257 34.070 31.823 -0.017 0.000 1.079 95 V HN -0.093 nan 8.190 nan 0.000 0.463 96 D N -1.400 118.990 120.400 -0.017 0.000 2.947 96 D HA 0.495 5.577 4.640 0.737 0.000 0.224 96 D C 0.644 176.927 176.300 -0.028 0.000 1.230 96 D CA -0.561 53.428 54.000 -0.018 0.000 0.871 96 D CB 1.959 42.748 40.800 -0.018 0.000 1.671 96 D HN 0.602 nan 8.370 nan 0.000 0.507 97 L N 1.469 122.675 121.223 -0.029 0.000 2.081 97 L HA -0.116 4.666 4.340 0.737 0.000 0.212 97 L C 0.678 177.507 176.870 -0.068 0.000 1.080 97 L CA 1.264 56.079 54.840 -0.043 0.000 0.754 97 L CB -0.151 41.885 42.059 -0.039 0.000 0.893 97 L HN 0.501 nan 8.230 nan 0.000 0.433 98 D N -1.170 119.193 120.400 -0.063 0.000 2.369 98 D HA 0.007 5.089 4.640 0.737 0.000 0.211 98 D C 0.693 176.959 176.300 -0.056 0.000 1.077 98 D CA 0.052 54.006 54.000 -0.077 0.000 0.842 98 D CB 0.121 40.881 40.800 -0.068 0.000 0.947 98 D HN 0.351 nan 8.370 nan 0.000 0.509 99 E N 1.198 121.371 120.200 -0.045 0.000 2.414 99 E HA 0.024 4.816 4.350 0.737 0.000 0.263 99 E C -0.420 176.155 176.600 -0.042 0.000 1.000 99 E CA 0.071 56.449 56.400 -0.038 0.000 0.914 99 E CB 0.580 30.261 29.700 -0.033 0.000 0.948 99 E HN -0.181 nan 8.360 nan 0.000 0.444 100 T N 4.581 119.110 114.554 -0.041 0.000 2.784 100 T HA -0.053 4.739 4.350 0.737 0.000 0.291 100 T C 1.343 176.006 174.700 -0.063 0.000 0.942 100 T CA -0.215 61.856 62.100 -0.048 0.000 1.161 100 T CB 1.081 69.919 68.868 -0.050 0.000 0.885 100 T HN 0.533 nan 8.240 nan 0.000 0.534 101 V N 3.905 123.772 119.914 -0.078 0.000 2.311 101 V HA -0.326 4.236 4.120 0.737 0.000 0.259 101 V C 2.180 178.212 176.094 -0.103 0.000 1.086 101 V CA 2.800 65.040 62.300 -0.100 0.000 1.078 101 V CB -0.649 31.080 31.823 -0.157 0.000 0.668 101 V HN 1.054 nan 8.190 nan 0.000 0.452 102 D N -0.580 119.753 120.400 -0.112 0.000 2.315 102 D HA -0.264 4.818 4.640 0.737 0.000 0.211 102 D C 2.073 178.331 176.300 -0.070 0.000 0.977 102 D CA 1.567 55.505 54.000 -0.105 0.000 0.894 102 D CB -0.677 40.063 40.800 -0.101 0.000 0.910 102 D HN 0.589 nan 8.370 nan 0.000 0.490 103 R N 0.091 120.558 120.500 -0.056 0.000 2.070 103 R HA -0.091 4.691 4.340 0.737 0.000 0.233 103 R C 1.668 177.950 176.300 -0.030 0.000 1.137 103 R CA 1.037 57.114 56.100 -0.038 0.000 0.945 103 R CB -0.099 30.182 30.300 -0.032 0.000 0.845 103 R HN 0.182 nan 8.270 nan 0.000 0.430 104 L N 0.392 121.596 121.223 -0.031 0.000 2.307 104 L HA 0.134 4.916 4.340 0.737 0.000 0.211 104 L C 0.931 177.799 176.870 -0.004 0.000 1.099 104 L CA 0.872 55.704 54.840 -0.014 0.000 0.816 104 L CB -0.102 41.951 42.059 -0.010 0.000 0.952 104 L HN 0.230 nan 8.230 nan 0.000 0.455 105 L N 0.606 121.803 121.223 -0.044 0.000 2.637 105 L HA 0.211 4.993 4.340 0.737 0.000 0.241 105 L C -1.606 175.180 176.870 -0.139 0.000 1.398 105 L CA -1.011 53.788 54.840 -0.068 0.000 0.895 105 L CB 0.870 42.839 42.059 -0.150 0.000 1.183 105 L HN -0.088 nan 8.230 nan 0.000 0.497 106 P HA -0.163 nan 4.420 nan 0.000 0.216 106 P C 1.073 178.307 177.300 -0.110 0.000 1.153 106 P CA 1.250 64.296 63.100 -0.089 0.000 0.848 106 P CB 0.138 31.810 31.700 -0.047 0.000 0.787 107 D N -0.190 120.173 120.400 -0.060 0.000 2.182 107 D HA -0.185 4.897 4.640 0.737 0.000 0.201 107 D C 1.842 178.054 176.300 -0.147 0.000 0.986 107 D CA 0.994 54.977 54.000 -0.028 0.000 0.847 107 D CB -1.245 39.627 40.800 0.121 0.000 0.942 107 D HN 0.125 nan 8.370 nan 0.000 0.467 108 L N 0.164 121.122 121.223 -0.441 0.000 2.095 108 L HA 0.078 4.860 4.340 0.737 0.000 0.204 108 L C 2.219 178.805 176.870 -0.474 0.000 1.080 108 L CA 1.408 55.756 54.840 -0.820 0.000 0.759 108 L CB -0.827 40.276 42.059 -1.593 0.000 0.914 108 L HN 0.013 nan 8.230 nan 0.000 0.439 109 S N -0.999 114.492 115.700 -0.348 0.000 2.481 109 S HA 0.022 4.934 4.470 0.737 0.000 0.231 109 S C 2.008 176.495 174.600 -0.188 0.000 0.996 109 S CA 0.812 58.864 58.200 -0.247 0.000 0.942 109 S CB -0.254 62.832 63.200 -0.190 0.000 0.768 109 S HN 0.642 nan 8.310 nan 0.000 0.520 110 A N 1.527 124.246 122.820 -0.169 0.000 1.968 110 A HA 0.215 4.977 4.320 0.737 0.000 0.217 110 A C 0.995 178.499 177.584 -0.133 0.000 1.169 110 A CA 0.513 52.471 52.037 -0.131 0.000 0.638 110 A CB -0.338 18.598 19.000 -0.108 0.000 0.812 110 A HN 0.444 nan 8.150 nan 0.000 0.446 111 M N 1.155 120.667 119.600 -0.147 0.000 2.240 111 M HA 0.085 5.007 4.480 0.737 0.000 0.346 111 M C -2.093 174.122 176.300 -0.142 0.000 1.236 111 M CA -1.382 53.841 55.300 -0.129 0.000 0.986 111 M CB -0.809 31.712 32.600 -0.132 0.000 1.786 111 M HN 0.172 nan 8.290 nan 0.000 0.457 112 P HA 0.355 nan 4.420 nan 0.000 0.282 112 P C -0.876 176.324 177.300 -0.166 0.000 1.287 112 P CA -0.635 62.382 63.100 -0.138 0.000 0.792 112 P CB 1.142 32.770 31.700 -0.121 0.000 1.163 113 V N 1.363 121.176 119.914 -0.168 0.000 2.427 113 V HA 0.307 4.870 4.120 0.737 0.000 0.286 113 V C -0.185 175.788 176.094 -0.201 0.000 1.034 113 V CA -1.139 61.048 62.300 -0.189 0.000 0.893 113 V CB 0.692 32.413 31.823 -0.170 0.000 0.982 113 V HN 0.407 nan 8.190 nan 0.000 0.452 114 L N 5.628 126.699 121.223 -0.253 0.000 2.315 114 L HA 0.380 5.162 4.340 0.737 0.000 0.283 114 L C 1.153 177.900 176.870 -0.206 0.000 1.089 114 L CA 0.170 54.839 54.840 -0.284 0.000 0.833 114 L CB 0.979 42.784 42.059 -0.423 0.000 1.170 114 L HN 0.950 nan 8.230 nan 0.000 0.442 115 E N 3.607 123.700 120.200 -0.179 0.000 2.060 115 E HA 0.180 4.972 4.350 0.737 0.000 0.189 115 E C 0.618 177.168 176.600 -0.084 0.000 0.974 115 E CA 0.763 57.095 56.400 -0.114 0.000 0.808 115 E CB 0.337 29.981 29.700 -0.093 0.000 0.768 115 E HN 0.891 nan 8.360 nan 0.000 0.453 116 G N -1.223 107.490 108.800 -0.144 0.000 2.341 116 G HA2 0.356 4.758 3.960 0.737 0.000 0.299 116 G HA3 0.356 4.758 3.960 0.737 0.000 0.299 116 G C -1.634 173.128 174.900 -0.230 0.000 1.274 116 G CA -0.882 44.173 45.100 -0.075 0.000 0.853 116 G HN 0.064 nan 8.290 nan 0.000 0.493 117 F N 1.087 121.082 119.950 0.075 0.000 2.561 117 F HA 0.541 5.510 4.527 0.735 0.000 0.321 117 F C 0.453 176.288 175.800 0.058 0.000 1.065 117 F CA -0.448 57.602 58.000 0.084 0.000 0.934 117 F CB 2.231 41.290 39.000 0.097 0.000 1.215 117 F HN 0.659 nan 8.300 nan 0.000 0.471 118 D N -0.433 120.113 120.400 0.243 0.000 2.496 118 D HA 0.124 5.206 4.640 0.737 0.000 0.283 118 D C 0.118 176.497 176.300 0.132 0.000 1.214 118 D CA -0.174 53.913 54.000 0.144 0.000 1.089 118 D CB 0.311 41.170 40.800 0.098 0.000 1.141 118 D HN 0.430 nan 8.370 nan 0.000 0.580 119 D N -0.634 119.818 120.400 0.088 0.000 2.201 119 D HA 0.035 5.117 4.640 0.737 0.000 0.209 119 D C 1.814 178.149 176.300 0.059 0.000 0.961 119 D CA 1.137 55.176 54.000 0.065 0.000 0.861 119 D CB -0.455 40.373 40.800 0.046 0.000 0.997 119 D HN 0.508 nan 8.370 nan 0.000 0.486 120 A N 0.559 123.416 122.820 0.062 0.000 2.178 120 A HA 0.159 4.921 4.320 0.737 0.000 0.218 120 A C 1.954 179.586 177.584 0.079 0.000 1.157 120 A CA 1.863 53.935 52.037 0.060 0.000 0.689 120 A CB -0.577 18.457 19.000 0.056 0.000 0.787 120 A HN 0.362 nan 8.150 nan 0.000 0.465 121 G N -1.392 107.477 108.800 0.114 0.000 2.195 121 G HA2 -0.257 4.145 3.960 0.737 0.000 0.246 121 G HA3 -0.257 4.145 3.960 0.737 0.000 0.246 121 G C 0.113 175.189 174.900 0.294 0.000 0.984 121 G CA 0.068 45.257 45.100 0.148 0.000 0.633 121 G HN 0.519 nan 8.290 nan 0.000 0.525 122 N N 1.367 120.210 118.700 0.239 0.000 2.345 122 N HA 0.365 5.547 4.740 0.737 0.000 0.243 122 N C 0.828 176.531 175.510 0.321 0.000 1.246 122 N CA 0.908 54.113 53.050 0.258 0.000 0.863 122 N CB 0.575 39.141 38.487 0.131 0.000 1.096 122 N HN 0.945 nan 8.380 nan 0.000 0.446 123 A N 2.384 125.372 122.820 0.282 0.000 2.537 123 A HA 0.016 4.778 4.320 0.737 0.000 0.260 123 A C 0.796 178.334 177.584 -0.076 0.000 1.082 123 A CA 0.015 52.080 52.037 0.047 0.000 0.765 123 A CB -0.206 18.798 19.000 0.006 0.000 1.019 123 A HN 0.681 nan 8.150 nan 0.000 0.507 124 R N 2.684 123.071 120.500 -0.189 0.000 2.265 124 R HA 0.605 5.387 4.340 0.737 0.000 0.319 124 R C -1.404 174.800 176.300 -0.159 0.000 1.006 124 R CA -0.410 55.614 56.100 -0.127 0.000 0.880 124 R CB 0.453 30.701 30.300 -0.086 0.000 1.077 124 R HN 0.562 nan 8.270 nan 0.000 0.454 125 L N 3.542 124.699 121.223 -0.111 0.000 2.388 125 L HA 0.619 5.401 4.340 0.737 0.000 0.264 125 L C -0.928 175.883 176.870 -0.098 0.000 0.998 125 L CA -0.589 54.181 54.840 -0.116 0.000 0.817 125 L CB 1.948 43.952 42.059 -0.091 0.000 1.338 125 L HN 0.782 nan 8.230 nan 0.000 0.414 126 R N 2.063 122.499 120.500 -0.107 0.000 2.668 126 R HA 0.481 5.263 4.340 0.737 0.000 0.272 126 R C -1.220 175.019 176.300 -0.101 0.000 1.019 126 R CA -0.639 55.405 56.100 -0.093 0.000 0.894 126 R CB 1.825 32.072 30.300 -0.089 0.000 1.228 126 R HN 0.755 nan 8.270 nan 0.000 0.460 127 E N 3.564 123.711 120.200 -0.089 0.000 2.374 127 E HA 0.136 4.928 4.350 0.737 0.000 0.260 127 E C -0.864 175.677 176.600 -0.099 0.000 1.101 127 E CA -0.721 55.622 56.400 -0.094 0.000 0.907 127 E CB 1.128 30.779 29.700 -0.081 0.000 1.014 127 E HN 0.459 nan 8.360 nan 0.000 0.427 128 R N 2.273 122.708 120.500 -0.109 0.000 2.267 128 R HA 0.129 4.911 4.340 0.737 0.000 0.319 128 R C -0.304 175.936 176.300 -0.101 0.000 1.067 128 R CA -0.304 55.725 56.100 -0.119 0.000 0.936 128 R CB 0.522 30.738 30.300 -0.139 0.000 1.006 128 R HN 0.526 nan 8.270 nan 0.000 0.452 129 R N 2.601 123.044 120.500 -0.095 0.000 2.389 129 R HA 0.266 5.048 4.340 0.737 0.000 0.295 129 R C 0.189 176.436 176.300 -0.089 0.000 1.075 129 R CA 0.896 56.949 56.100 -0.080 0.000 1.005 129 R CB 1.194 31.452 30.300 -0.069 0.000 0.987 129 R HN 1.002 nan 8.270 nan 0.000 0.452 130 G N 1.860 110.615 108.800 -0.075 0.000 2.710 130 G HA2 -0.161 4.241 3.960 0.737 0.000 0.668 130 G HA3 -0.161 4.241 3.960 0.737 0.000 0.668 130 G C -1.176 173.675 174.900 -0.083 0.000 1.320 130 G CA -0.816 44.240 45.100 -0.073 0.000 0.860 130 G HN 0.398 nan 8.290 nan 0.000 0.538 131 K N -1.099 119.262 120.400 -0.066 0.000 2.439 131 K HA 0.782 5.544 4.320 0.737 0.000 0.260 131 K C -0.809 175.767 176.600 -0.039 0.000 1.032 131 K CA -0.817 55.429 56.287 -0.067 0.000 0.882 131 K CB 2.360 34.831 32.500 -0.048 0.000 1.420 131 K HN 1.002 nan 8.250 nan 0.000 0.455 132 I N 1.067 121.612 120.570 -0.042 0.000 2.499 132 I HA 0.368 4.980 4.170 0.737 0.000 0.288 132 I C -0.579 175.561 176.117 0.037 0.000 1.048 132 I CA -0.187 61.104 61.300 -0.016 0.000 1.062 132 I CB 1.778 39.680 38.000 -0.162 0.000 1.238 132 I HN 0.717 nan 8.210 nan 0.000 0.426 133 T N 4.442 119.107 114.554 0.186 0.000 2.926 133 T HA 0.304 5.096 4.350 0.737 0.000 0.289 133 T C 0.859 175.547 174.700 -0.020 0.000 1.054 133 T CA -0.863 61.246 62.100 0.015 0.000 1.015 133 T CB 1.668 70.483 68.868 -0.089 0.000 1.167 133 T HN 0.565 nan 8.240 nan 0.000 0.526 134 L N 0.400 121.592 121.223 -0.052 0.000 2.131 134 L HA 0.006 4.788 4.340 0.737 0.000 0.210 134 L C 2.605 179.446 176.870 -0.049 0.000 1.092 134 L CA 1.681 56.495 54.840 -0.044 0.000 0.759 134 L CB -0.801 41.236 42.059 -0.037 0.000 0.903 134 L HN 0.890 nan 8.230 nan 0.000 0.435 135 R N -0.888 119.559 120.500 -0.087 0.000 2.091 135 R HA -0.225 4.557 4.340 0.737 0.000 0.238 135 R C 2.156 178.410 176.300 -0.077 0.000 1.136 135 R CA 1.933 57.974 56.100 -0.099 0.000 0.959 135 R CB -0.373 29.826 30.300 -0.169 0.000 0.856 135 R HN 0.526 nan 8.270 nan 0.000 0.437 136 H N -0.013 119.022 119.070 -0.059 0.000 2.352 136 H HA -0.121 4.876 4.556 0.734 0.000 0.299 136 H C 2.173 177.419 175.328 -0.137 0.000 1.097 136 H CA 1.742 57.738 56.048 -0.088 0.000 1.311 136 H CB 0.034 29.731 29.762 -0.107 0.000 1.377 136 H HN 0.154 nan 8.280 nan 0.000 0.504 137 L N 0.274 121.488 121.223 -0.015 0.000 1.989 137 L HA -0.213 4.569 4.340 0.737 0.000 0.211 137 L C 2.260 179.004 176.870 -0.210 0.000 1.071 137 L CA 1.155 55.921 54.840 -0.123 0.000 0.749 137 L CB -0.530 41.482 42.059 -0.078 0.000 0.890 137 L HN 0.360 nan 8.230 nan 0.000 0.431 138 L N -0.280 120.880 121.223 -0.106 0.000 2.265 138 L HA -0.143 4.639 4.340 0.737 0.000 0.215 138 L C 2.167 179.036 176.870 -0.002 0.000 1.117 138 L CA 1.627 56.430 54.840 -0.062 0.000 0.782 138 L CB -0.831 41.242 42.059 0.023 0.000 0.914 138 L HN 0.487 nan 8.230 nan 0.000 0.441 139 T N -5.713 108.832 114.554 -0.014 0.000 3.105 139 T HA 0.069 4.861 4.350 0.737 0.000 0.253 139 T C 0.626 175.260 174.700 -0.111 0.000 1.047 139 T CA -0.410 61.739 62.100 0.081 0.000 0.944 139 T CB -0.156 68.815 68.868 0.172 0.000 1.016 139 T HN 0.301 nan 8.240 nan 0.000 0.544 140 H N 0.511 119.408 119.070 -0.288 0.000 2.791 140 H HA -0.118 4.870 4.556 0.719 0.000 0.302 140 H C -0.146 174.870 175.328 -0.520 0.000 1.198 140 H CA 1.257 56.982 56.048 -0.538 0.000 1.145 140 H CB -2.255 26.938 29.762 -0.949 0.000 1.385 140 H HN 0.483 nan 8.280 nan 0.000 0.409 141 T N -1.203 113.242 114.554 -0.182 0.000 3.252 141 T HA 0.064 4.856 4.350 0.737 0.000 0.286 141 T C 1.547 176.131 174.700 -0.194 0.000 1.013 141 T CA 0.491 62.526 62.100 -0.109 0.000 0.914 141 T CB 0.264 69.191 68.868 0.098 0.000 1.131 141 T HN 0.508 nan 8.240 nan 0.000 0.529 142 S N 0.955 116.517 115.700 -0.229 0.000 2.515 142 S HA 0.217 5.129 4.470 0.737 0.000 0.231 142 S C 2.084 176.498 174.600 -0.310 0.000 0.987 142 S CA 0.519 58.555 58.200 -0.275 0.000 0.936 142 S CB -0.505 62.551 63.200 -0.240 0.000 0.766 142 S HN 0.768 nan 8.310 nan 0.000 0.528 143 G N 0.498 109.124 108.800 -0.289 0.000 2.143 143 G HA2 -0.214 4.188 3.960 0.737 0.000 0.248 143 G HA3 -0.214 4.188 3.960 0.737 0.000 0.248 143 G C -0.218 174.515 174.900 -0.277 0.000 0.991 143 G CA 0.440 45.378 45.100 -0.271 0.000 0.689 143 G HN 1.130 nan 8.290 nan 0.000 0.522 144 L N -1.346 119.706 121.223 -0.284 0.000 2.323 144 L HA 1.017 5.799 4.340 0.737 0.000 0.265 144 L C -0.121 176.563 176.870 -0.311 0.000 1.012 144 L CA -0.410 54.264 54.840 -0.277 0.000 0.820 144 L CB 2.110 44.030 42.059 -0.231 0.000 1.334 144 L HN 0.460 nan 8.230 nan 0.000 0.427 145 S N 0.175 115.698 115.700 -0.294 0.000 2.704 145 S HA 0.703 5.615 4.470 0.737 0.000 0.296 145 S C -1.275 173.165 174.600 -0.267 0.000 1.138 145 S CA -0.469 57.570 58.200 -0.269 0.000 0.875 145 S CB 0.751 63.840 63.200 -0.185 0.000 1.151 145 S HN 0.525 nan 8.310 nan 0.000 0.500 146 Y N 1.067 121.305 120.300 -0.103 0.000 2.301 146 Y HA 0.295 5.280 4.550 0.725 0.000 0.325 146 Y C 1.568 177.441 175.900 -0.046 0.000 1.203 146 Y CA -0.283 57.762 58.100 -0.092 0.000 1.255 146 Y CB 0.839 39.259 38.460 -0.066 0.000 1.232 146 Y HN 0.397 nan 8.280 nan 0.000 0.501 147 V N 1.809 121.750 119.914 0.045 0.000 2.261 147 V HA -0.306 4.256 4.120 0.737 0.000 0.246 147 V C 1.372 177.505 176.094 0.066 0.000 1.047 147 V CA 1.805 64.055 62.300 -0.082 0.000 1.015 147 V CB -0.575 30.991 31.823 -0.427 0.000 0.642 147 V HN 0.646 nan 8.190 nan 0.000 0.446 148 F N -0.350 119.688 119.950 0.147 0.000 2.769 148 F HA 0.263 5.231 4.527 0.735 0.000 0.304 148 F C 1.540 177.424 175.800 0.139 0.000 1.158 148 F CA 0.109 58.181 58.000 0.119 0.000 1.398 148 F CB -0.769 38.280 39.000 0.081 0.000 1.094 148 F HN 0.082 nan 8.300 nan 0.000 0.553 149 L N -1.909 119.517 121.223 0.338 0.000 2.575 149 L HA 0.152 4.934 4.340 0.737 0.000 0.228 149 L C 0.133 177.174 176.870 0.286 0.000 1.075 149 L CA 0.147 55.172 54.840 0.308 0.000 0.867 149 L CB -0.021 42.241 42.059 0.338 0.000 1.097 149 L HN -0.026 nan 8.230 nan 0.000 0.485 150 H N 0.638 119.810 119.070 0.170 0.000 2.466 150 H HA 0.250 5.247 4.556 0.736 0.000 0.338 150 H C -1.929 173.484 175.328 0.143 0.000 1.091 150 H CA -1.837 54.287 56.048 0.126 0.000 1.207 150 H CB 2.013 31.818 29.762 0.071 0.000 1.466 150 H HN -0.253 nan 8.280 nan 0.000 0.493 151 P HA -0.138 nan 4.420 nan 0.000 0.218 151 P C 1.139 178.488 177.300 0.081 0.000 1.149 151 P CA 1.082 64.137 63.100 -0.076 0.000 0.817 151 P CB 0.411 32.017 31.700 -0.156 0.000 0.785 152 L N -1.418 119.915 121.223 0.184 0.000 2.007 152 L HA -0.114 4.668 4.340 0.737 0.000 0.205 152 L C 2.522 179.668 176.870 0.459 0.000 1.073 152 L CA 1.266 56.360 54.840 0.424 0.000 0.744 152 L CB -1.193 41.115 42.059 0.415 0.000 0.898 152 L HN -0.100 nan 8.230 nan 0.000 0.435 153 L N -0.610 120.827 121.223 0.357 0.000 2.081 153 L HA -0.226 4.556 4.340 0.737 0.000 0.212 153 L C 2.984 180.053 176.870 0.331 0.000 1.080 153 L CA 0.872 55.891 54.840 0.298 0.000 0.754 153 L CB -0.654 41.514 42.059 0.182 0.000 0.893 153 L HN 0.300 nan 8.230 nan 0.000 0.433 154 R N 0.241 120.915 120.500 0.290 0.000 2.133 154 R HA -0.259 4.523 4.340 0.737 0.000 0.245 154 R C 2.080 178.497 176.300 0.196 0.000 1.137 154 R CA 1.905 58.164 56.100 0.264 0.000 0.947 154 R CB -0.754 29.651 30.300 0.176 0.000 0.865 154 R HN 0.497 nan 8.270 nan 0.000 0.437 155 E N -0.867 119.414 120.200 0.134 0.000 2.112 155 E HA -0.152 4.640 4.350 0.737 0.000 0.190 155 E C 1.844 178.486 176.600 0.070 0.000 0.979 155 E CA 0.316 56.673 56.400 -0.072 0.000 0.814 155 E CB -0.130 29.272 29.700 -0.496 0.000 0.762 155 E HN 0.263 nan 8.360 nan 0.000 0.460 156 Y N 0.636 121.148 120.300 0.354 0.000 2.151 156 Y HA -0.311 4.681 4.550 0.737 0.000 0.284 156 Y C 2.280 178.268 175.900 0.147 0.000 1.166 156 Y CA 1.922 60.282 58.100 0.433 0.000 1.163 156 Y CB -0.096 38.605 38.460 0.402 0.000 0.974 156 Y HN 0.132 nan 8.280 nan 0.000 0.511 157 M N -0.520 119.237 119.600 0.263 0.000 2.132 157 M HA -0.171 4.751 4.480 0.737 0.000 0.263 157 M C 2.347 178.675 176.300 0.047 0.000 1.065 157 M CA 1.874 57.263 55.300 0.148 0.000 1.122 157 M CB -1.069 31.676 32.600 0.242 0.000 1.365 157 M HN 0.386 nan 8.290 nan 0.000 0.411 158 A N 0.447 123.284 122.820 0.029 0.000 1.892 158 A HA -0.233 4.529 4.320 0.737 0.000 0.218 158 A C 1.864 179.371 177.584 -0.129 0.000 1.188 158 A CA 1.689 53.699 52.037 -0.045 0.000 0.631 158 A CB -0.738 18.218 19.000 -0.074 0.000 0.822 158 A HN 0.630 nan 8.150 nan 0.000 0.447 159 Q N -1.585 118.071 119.800 -0.240 0.000 2.119 159 Q HA 0.060 4.842 4.340 0.737 0.000 0.201 159 Q C 1.355 177.111 176.000 -0.406 0.000 0.972 159 Q CA 1.195 56.758 55.803 -0.400 0.000 0.847 159 Q CB -0.691 27.583 28.738 -0.773 0.000 0.903 159 Q HN 1.310 nan 8.270 nan 0.000 0.433 160 G N 0.785 109.367 108.800 -0.364 0.000 2.215 160 G HA2 -0.185 4.217 3.960 0.737 0.000 0.198 160 G HA3 -0.185 4.217 3.960 0.737 0.000 0.198 160 G C 0.129 174.927 174.900 -0.170 0.000 1.047 160 G CA 0.131 45.116 45.100 -0.191 0.000 0.747 160 G HN 0.331 nan 8.290 nan 0.000 0.495 161 H N -0.362 118.555 119.070 -0.254 0.000 2.551 161 H HA 0.227 5.224 4.556 0.736 0.000 0.266 161 H C 2.516 177.748 175.328 -0.160 0.000 0.977 161 H CA 0.729 56.558 56.048 -0.366 0.000 1.163 161 H CB 0.177 29.332 29.762 -1.012 0.000 1.381 161 H HN 0.523 nan 8.280 nan 0.000 0.581 162 L N 0.085 121.331 121.223 0.039 0.000 2.558 162 L HA -0.013 4.769 4.340 0.737 0.000 0.225 162 L C 1.954 178.876 176.870 0.087 0.000 1.128 162 L CA 0.266 55.175 54.840 0.115 0.000 0.868 162 L CB -0.055 42.072 42.059 0.115 0.000 1.006 162 L HN 0.161 nan 8.230 nan 0.000 0.454 163 Q N -0.077 119.760 119.800 0.062 0.000 2.124 163 Q HA -0.146 4.636 4.340 0.737 0.000 0.202 163 Q C 2.246 178.285 176.000 0.066 0.000 0.977 163 Q CA 1.685 57.519 55.803 0.052 0.000 0.850 163 Q CB -0.125 28.634 28.738 0.034 0.000 0.901 163 Q HN 0.382 nan 8.270 nan 0.000 0.429 164 S N 0.833 116.591 115.700 0.097 0.000 2.474 164 S HA -0.064 4.848 4.470 0.737 0.000 0.235 164 S C 1.985 176.690 174.600 0.174 0.000 0.997 164 S CA 0.596 58.868 58.200 0.120 0.000 0.949 164 S CB -0.171 63.139 63.200 0.184 0.000 0.766 164 S HN 0.468 nan 8.310 nan 0.000 0.517 165 A N 2.106 125.038 122.820 0.187 0.000 1.948 165 A HA -0.242 4.520 4.320 0.737 0.000 0.220 165 A C 1.950 179.625 177.584 0.151 0.000 1.177 165 A CA 1.726 53.894 52.037 0.218 0.000 0.636 165 A CB -0.619 18.467 19.000 0.144 0.000 0.815 165 A HN 0.583 nan 8.150 nan 0.000 0.449 166 E N -0.056 120.182 120.200 0.064 0.000 2.114 166 E HA -0.262 4.530 4.350 0.737 0.000 0.199 166 E C 1.955 178.516 176.600 -0.064 0.000 1.008 166 E CA 1.735 58.141 56.400 0.010 0.000 0.810 166 E CB -0.238 29.460 29.700 -0.004 0.000 0.739 166 E HN 0.670 nan 8.360 nan 0.000 0.456 167 K N -0.102 120.181 120.400 -0.195 0.000 2.147 167 K HA -0.109 4.653 4.320 0.737 0.000 0.205 167 K C 1.111 177.375 176.600 -0.560 0.000 1.049 167 K CA 1.026 57.031 56.287 -0.471 0.000 0.936 167 K CB -0.016 31.986 32.500 -0.830 0.000 0.722 167 K HN 0.140 nan 8.250 nan 0.000 0.446 168 F N -0.262 119.704 119.950 0.026 0.000 2.639 168 F HA 0.290 5.259 4.527 0.736 0.000 0.302 168 F C 1.132 176.951 175.800 0.030 0.000 1.097 168 F CA -0.238 57.779 58.000 0.028 0.000 1.294 168 F CB 0.537 39.556 39.000 0.031 0.000 1.027 168 F HN 0.063 nan 8.300 nan 0.000 0.550 169 G N 1.549 110.421 108.800 0.119 0.000 2.225 169 G HA2 -0.319 4.083 3.960 0.737 0.000 0.267 169 G HA3 -0.319 4.083 3.960 0.737 0.000 0.267 169 G C 0.222 175.188 174.900 0.110 0.000 1.024 169 G CA -0.062 45.093 45.100 0.091 0.000 0.784 169 G HN 0.387 nan 8.290 nan 0.000 0.507 170 I N 0.945 121.600 120.570 0.142 0.000 2.371 170 I HA 0.142 4.754 4.170 0.737 0.000 0.290 170 I C 0.846 177.010 176.117 0.080 0.000 1.028 170 I CA -0.726 60.646 61.300 0.120 0.000 1.345 170 I CB 0.875 38.963 38.000 0.146 0.000 1.407 170 I HN 0.126 nan 8.210 nan 0.000 0.501 171 Q N 3.932 123.765 119.800 0.056 0.000 2.349 171 Q HA -0.043 4.739 4.340 0.737 0.000 0.287 171 Q C 1.378 177.360 176.000 -0.030 0.000 1.044 171 Q CA 0.192 56.032 55.803 0.061 0.000 0.918 171 Q CB 0.836 29.662 28.738 0.146 0.000 1.242 171 Q HN 0.825 nan 8.270 nan 0.000 0.405 172 S N 3.191 118.885 115.700 -0.009 0.000 2.372 172 S HA -0.261 4.651 4.470 0.737 0.000 0.227 172 S C 1.672 176.189 174.600 -0.137 0.000 1.044 172 S CA 1.803 59.979 58.200 -0.040 0.000 1.050 172 S CB 0.032 63.229 63.200 -0.006 0.000 0.901 172 S HN 0.664 nan 8.310 nan 0.000 0.447 173 R N -0.576 119.749 120.500 -0.291 0.000 2.148 173 R HA 0.085 4.868 4.340 0.737 0.000 0.227 173 R C 1.659 177.711 176.300 -0.413 0.000 1.103 173 R CA 1.081 56.943 56.100 -0.397 0.000 0.983 173 R CB -0.202 29.701 30.300 -0.662 0.000 0.874 173 R HN 0.393 nan 8.270 nan 0.000 0.451 174 L N -0.336 120.614 121.223 -0.454 0.000 2.509 174 L HA 0.154 4.936 4.340 0.737 0.000 0.222 174 L C 1.994 178.821 176.870 -0.071 0.000 1.123 174 L CA 0.851 55.438 54.840 -0.423 0.000 0.856 174 L CB -0.095 41.568 42.059 -0.661 0.000 0.985 174 L HN 0.132 nan 8.230 nan 0.000 0.456 175 A N 0.059 122.846 122.820 -0.055 0.000 1.898 175 A HA 0.026 4.788 4.320 0.737 0.000 0.216 175 A C -1.138 176.486 177.584 0.066 0.000 1.181 175 A CA 0.575 52.637 52.037 0.041 0.000 0.620 175 A CB -1.789 17.241 19.000 0.051 0.000 0.819 175 A HN 0.255 nan 8.150 nan 0.000 0.442 176 P HA 0.276 nan 4.420 nan 0.000 0.269 176 P C -2.717 174.552 177.300 -0.051 0.000 1.209 176 P CA -0.954 62.154 63.100 0.014 0.000 0.776 176 P CB -0.051 31.630 31.700 -0.032 0.000 0.876 177 P HA 0.212 nan 4.420 nan 0.000 0.276 177 P C -0.346 176.815 177.300 -0.231 0.000 1.252 177 P CA -0.329 62.636 63.100 -0.225 0.000 0.802 177 P CB 0.373 31.829 31.700 -0.406 0.000 1.035 178 A N 1.000 123.688 122.820 -0.219 0.000 2.406 178 A HA 0.313 5.075 4.320 0.737 0.000 0.243 178 A C 0.903 178.331 177.584 -0.260 0.000 1.082 178 A CA 0.146 52.042 52.037 -0.234 0.000 0.786 178 A CB -0.308 18.557 19.000 -0.226 0.000 1.029 178 A HN 0.502 nan 8.150 nan 0.000 0.495 179 V N -1.437 118.305 119.914 -0.288 0.000 3.380 179 V HA 0.403 4.965 4.120 0.737 0.000 0.307 179 V C 0.066 176.000 176.094 -0.268 0.000 1.434 179 V CA 0.338 62.449 62.300 -0.315 0.000 1.075 179 V CB -1.114 30.382 31.823 -0.545 0.000 0.954 179 V HN 0.827 nan 8.190 nan 0.000 0.444 180 N N -0.328 118.232 118.700 -0.233 0.000 3.261 180 N HA 0.249 5.431 4.740 0.737 0.000 0.248 180 N C -1.976 173.421 175.510 -0.187 0.000 1.498 180 N CA -0.296 52.643 53.050 -0.186 0.000 0.884 180 N CB 1.955 40.334 38.487 -0.180 0.000 1.428 180 N HN 0.183 nan 8.380 nan 0.000 0.517 181 D N 0.652 120.954 120.400 -0.164 0.000 2.312 181 D HA 0.397 5.479 4.640 0.737 0.000 0.248 181 D C -2.189 173.973 176.300 -0.229 0.000 1.086 181 D CA -0.832 53.061 54.000 -0.178 0.000 0.948 181 D CB 0.504 41.222 40.800 -0.137 0.000 1.162 181 D HN 0.245 nan 8.370 nan 0.000 0.446 182 P HA 0.122 nan 4.420 nan 0.000 0.268 182 P C 0.812 177.849 177.300 -0.437 0.000 1.205 182 P CA 0.412 63.203 63.100 -0.514 0.000 0.771 182 P CB 0.564 31.865 31.700 -0.664 0.000 0.858 183 G N 1.592 110.141 108.800 -0.418 0.000 2.184 183 G HA2 -0.316 4.087 3.960 0.737 0.000 0.264 183 G HA3 -0.316 4.087 3.960 0.737 0.000 0.264 183 G C 1.000 175.874 174.900 -0.042 0.000 0.975 183 G CA 0.520 45.571 45.100 -0.081 0.000 0.642 183 G HN 0.686 nan 8.290 nan 0.000 0.536 184 A N -0.401 122.365 122.820 -0.090 0.000 1.859 184 A HA 0.554 5.316 4.320 0.737 0.000 0.212 184 A C 1.054 178.623 177.584 -0.024 0.000 1.238 184 A CA 1.695 53.697 52.037 -0.057 0.000 0.613 184 A CB 0.100 19.048 19.000 -0.086 0.000 0.904 184 A HN 0.568 nan 8.150 nan 0.000 0.457 185 E N -2.820 117.353 120.200 -0.044 0.000 2.320 185 E HA 0.349 5.141 4.350 0.737 0.000 0.264 185 E C -1.693 174.923 176.600 0.026 0.000 0.923 185 E CA -0.902 55.498 56.400 0.000 0.000 0.796 185 E CB 1.495 31.171 29.700 -0.041 0.000 1.262 185 E HN 0.445 nan 8.360 nan 0.000 0.428 186 W N 2.792 124.046 121.300 -0.076 0.000 2.322 186 W HA 0.436 5.525 4.660 0.715 0.000 0.307 186 W C -1.070 175.379 176.519 -0.116 0.000 1.220 186 W CA -0.057 57.230 57.345 -0.097 0.000 1.210 186 W CB 0.338 29.744 29.460 -0.090 0.000 1.223 186 W HN 0.321 nan 8.180 nan 0.000 0.511 187 I N 8.070 128.156 120.570 -0.808 0.000 2.529 187 I HA 0.024 4.636 4.170 0.737 0.000 0.284 187 I C -1.024 174.571 176.117 -0.871 0.000 1.088 187 I CA -1.252 59.654 61.300 -0.657 0.000 1.062 187 I CB 1.123 38.898 38.000 -0.376 0.000 1.218 187 I HN 0.220 nan 8.210 nan 0.000 0.442 188 Y N 5.801 125.495 120.300 -1.009 0.000 2.729 188 Y HA 0.452 5.422 4.550 0.699 0.000 0.331 188 Y C 0.540 176.323 175.900 -0.194 0.000 1.208 188 Y CA 0.392 58.103 58.100 -0.649 0.000 1.521 188 Y CB 0.357 38.754 38.460 -0.106 0.000 1.233 188 Y HN 0.625 nan 8.280 nan 0.000 0.539 189 G N 2.817 111.282 108.800 -0.559 0.000 2.687 189 G HA2 0.493 4.895 3.960 0.737 0.000 0.291 189 G HA3 0.493 4.895 3.960 0.737 0.000 0.291 189 G C -0.436 173.630 174.900 -1.390 0.000 1.420 189 G CA -0.443 44.081 45.100 -0.959 0.000 0.796 189 G HN 0.764 nan 8.290 nan 0.000 0.485 190 A N -0.263 121.755 122.820 -1.335 0.000 2.255 190 A HA 0.060 4.822 4.320 0.737 0.000 0.206 190 A C 1.525 178.897 177.584 -0.353 0.000 1.193 190 A CA 0.964 52.501 52.037 -0.832 0.000 0.794 190 A CB -0.997 17.682 19.000 -0.534 0.000 0.794 190 A HN 0.695 nan 8.150 nan 0.000 0.481 191 N N -0.477 118.040 118.700 -0.304 0.000 2.567 191 N HA -0.023 5.160 4.740 0.737 0.000 0.195 191 N C 0.670 176.113 175.510 -0.111 0.000 1.242 191 N CA -0.015 52.962 53.050 -0.122 0.000 0.884 191 N CB 0.105 38.466 38.487 -0.210 0.000 1.007 191 N HN 0.304 nan 8.380 nan 0.000 0.450 192 L N 0.559 121.719 121.223 -0.106 0.000 2.664 192 L HA 0.179 4.961 4.340 0.737 0.000 0.233 192 L C 0.366 177.257 176.870 0.035 0.000 1.113 192 L CA 0.776 55.605 54.840 -0.019 0.000 0.896 192 L CB 0.162 42.244 42.059 0.038 0.000 1.163 192 L HN -0.016 nan 8.230 nan 0.000 0.497 193 D N -1.772 118.606 120.400 -0.035 0.000 2.240 193 D HA -0.146 4.936 4.640 0.737 0.000 0.206 193 D C 1.799 178.048 176.300 -0.085 0.000 0.963 193 D CA 0.870 54.831 54.000 -0.065 0.000 0.863 193 D CB 0.030 40.645 40.800 -0.307 0.000 0.973 193 D HN 0.196 nan 8.370 nan 0.000 0.501 194 W N 1.854 123.119 121.300 -0.058 0.000 2.355 194 W HA -0.066 5.034 4.660 0.734 0.000 0.309 194 W C 2.609 179.102 176.519 -0.043 0.000 1.206 194 W CA 0.963 58.275 57.345 -0.056 0.000 1.284 194 W CB -0.291 29.108 29.460 -0.102 0.000 1.145 194 W HN -0.070 nan 8.180 nan 0.000 0.502 195 A N 0.827 123.755 122.820 0.179 0.000 1.903 195 A HA -0.206 4.556 4.320 0.737 0.000 0.219 195 A C 2.187 179.810 177.584 0.065 0.000 1.191 195 A CA 2.360 54.449 52.037 0.086 0.000 0.638 195 A CB -1.649 17.379 19.000 0.046 0.000 0.823 195 A HN 0.359 nan 8.150 nan 0.000 0.451 196 G N -0.417 108.426 108.800 0.073 0.000 2.446 196 G HA2 -0.261 4.141 3.960 0.737 0.000 0.217 196 G HA3 -0.261 4.141 3.960 0.737 0.000 0.217 196 G C 1.657 176.564 174.900 0.012 0.000 1.168 196 G CA 1.245 46.371 45.100 0.044 0.000 0.771 196 G HN 0.422 nan 8.290 nan 0.000 0.551 197 K N 0.216 120.651 120.400 0.058 0.000 1.991 197 K HA -0.008 4.754 4.320 0.737 0.000 0.212 197 K C 2.473 179.104 176.600 0.051 0.000 1.049 197 K CA 0.880 57.206 56.287 0.065 0.000 0.932 197 K CB -1.141 31.449 32.500 0.150 0.000 0.717 197 K HN 0.375 nan 8.250 nan 0.000 0.441 198 L N 1.163 122.435 121.223 0.081 0.000 2.034 198 L HA -0.275 4.507 4.340 0.737 0.000 0.217 198 L C 2.238 179.088 176.870 -0.033 0.000 1.077 198 L CA 1.432 56.292 54.840 0.033 0.000 0.769 198 L CB -0.282 41.795 42.059 0.030 0.000 0.890 198 L HN -0.083 nan 8.230 nan 0.000 0.435 199 V N -0.181 119.685 119.914 -0.081 0.000 2.261 199 V HA -0.310 4.252 4.120 0.737 0.000 0.246 199 V C 2.404 178.387 176.094 -0.185 0.000 1.047 199 V CA 2.254 64.436 62.300 -0.196 0.000 1.015 199 V CB -0.656 30.979 31.823 -0.315 0.000 0.642 199 V HN 0.514 nan 8.190 nan 0.000 0.446 200 E N -0.202 119.920 120.200 -0.131 0.000 2.130 200 E HA -0.238 4.554 4.350 0.737 0.000 0.196 200 E C 2.436 179.003 176.600 -0.054 0.000 0.998 200 E CA 1.206 57.550 56.400 -0.093 0.000 0.806 200 E CB -0.143 29.512 29.700 -0.076 0.000 0.738 200 E HN 0.551 nan 8.360 nan 0.000 0.459 201 R N -0.083 120.396 120.500 -0.035 0.000 2.112 201 R HA 0.104 4.886 4.340 0.737 0.000 0.216 201 R C 2.280 178.569 176.300 -0.018 0.000 1.080 201 R CA 0.860 56.953 56.100 -0.013 0.000 0.996 201 R CB -0.213 30.093 30.300 0.010 0.000 0.902 201 R HN 0.067 nan 8.270 nan 0.000 0.449 202 A N 1.339 124.138 122.820 -0.034 0.000 1.969 202 A HA -0.112 4.650 4.320 0.737 0.000 0.218 202 A C 2.012 179.585 177.584 -0.019 0.000 1.169 202 A CA 1.869 53.888 52.037 -0.029 0.000 0.635 202 A CB -0.402 18.572 19.000 -0.044 0.000 0.810 202 A HN 0.446 nan 8.150 nan 0.000 0.445 203 T N -4.980 109.554 114.554 -0.032 0.000 3.092 203 T HA 0.412 5.204 4.350 0.737 0.000 0.258 203 T C 1.252 175.971 174.700 0.032 0.000 1.031 203 T CA 0.973 63.083 62.100 0.017 0.000 0.925 203 T CB -0.044 68.844 68.868 0.033 0.000 1.036 203 T HN 1.530 nan 8.240 nan 0.000 0.544 204 G N 1.665 110.470 108.800 0.008 0.000 2.337 204 G HA2 -0.230 4.172 3.960 0.737 0.000 0.290 204 G HA3 -0.230 4.172 3.960 0.737 0.000 0.290 204 G C -0.125 174.786 174.900 0.019 0.000 1.003 204 G CA 0.766 45.872 45.100 0.011 0.000 0.825 204 G HN 0.660 nan 8.290 nan 0.000 0.509 205 L N 0.365 121.601 121.223 0.023 0.000 2.381 205 L HA 0.407 5.189 4.340 0.737 0.000 0.268 205 L C 0.057 176.927 176.870 0.000 0.000 0.997 205 L CA -1.310 53.554 54.840 0.040 0.000 0.818 205 L CB 1.685 43.820 42.059 0.126 0.000 1.310 205 L HN 0.302 nan 8.230 nan 0.000 0.416 206 D N 2.273 122.662 120.400 -0.019 0.000 2.357 206 D HA 0.079 5.161 4.640 0.737 0.000 0.242 206 D C 0.748 177.012 176.300 -0.061 0.000 1.153 206 D CA -0.503 53.452 54.000 -0.075 0.000 0.918 206 D CB 1.329 42.070 40.800 -0.099 0.000 1.181 206 D HN 0.333 nan 8.370 nan 0.000 0.435 207 L N -1.265 119.864 121.223 -0.157 0.000 2.610 207 L HA 0.157 4.939 4.340 0.737 0.000 0.232 207 L C 1.788 178.614 176.870 -0.073 0.000 1.149 207 L CA 0.762 55.539 54.840 -0.105 0.000 0.872 207 L CB -1.627 40.328 42.059 -0.173 0.000 0.992 207 L HN 0.423 nan 8.230 nan 0.000 0.447 208 E N 0.875 120.996 120.200 -0.132 0.000 2.046 208 E HA -0.239 4.553 4.350 0.737 0.000 0.190 208 E C 2.220 178.880 176.600 0.100 0.000 0.982 208 E CA 1.566 57.994 56.400 0.047 0.000 0.800 208 E CB -0.236 29.484 29.700 0.034 0.000 0.756 208 E HN 0.681 nan 8.360 nan 0.000 0.449 209 Q N -1.169 118.669 119.800 0.064 0.000 2.020 209 Q HA -0.220 4.562 4.340 0.737 0.000 0.202 209 Q C 2.089 178.144 176.000 0.091 0.000 0.982 209 Q CA 1.735 57.579 55.803 0.067 0.000 0.838 209 Q CB -0.408 28.360 28.738 0.050 0.000 0.899 209 Q HN 0.476 nan 8.270 nan 0.000 0.423 210 Y N 0.522 120.830 120.300 0.014 0.000 2.207 210 Y HA -0.274 4.715 4.550 0.732 0.000 0.287 210 Y C 1.941 177.874 175.900 0.054 0.000 1.156 210 Y CA 1.445 59.561 58.100 0.026 0.000 1.182 210 Y CB -0.109 38.360 38.460 0.016 0.000 0.979 210 Y HN 0.277 nan 8.280 nan 0.000 0.521 211 L N 0.205 121.566 121.223 0.230 0.000 2.017 211 L HA -0.229 4.553 4.340 0.737 0.000 0.208 211 L C 2.166 179.081 176.870 0.075 0.000 1.073 211 L CA 1.825 56.787 54.840 0.204 0.000 0.745 211 L CB -0.847 41.405 42.059 0.322 0.000 0.894 211 L HN 0.197 nan 8.230 nan 0.000 0.432 212 Q N -0.178 119.661 119.800 0.065 0.000 2.124 212 Q HA -0.215 4.567 4.340 0.737 0.000 0.202 212 Q C 2.214 178.193 176.000 -0.035 0.000 0.977 212 Q CA 1.859 57.678 55.803 0.027 0.000 0.850 212 Q CB -0.334 28.426 28.738 0.037 0.000 0.901 212 Q HN 0.675 nan 8.270 nan 0.000 0.429 213 E N 0.350 120.496 120.200 -0.090 0.000 2.072 213 E HA -0.046 4.746 4.350 0.737 0.000 0.190 213 E C 1.288 177.765 176.600 -0.205 0.000 0.982 213 E CA 0.593 56.906 56.400 -0.146 0.000 0.803 213 E CB 0.174 29.764 29.700 -0.183 0.000 0.755 213 E HN 0.368 nan 8.360 nan 0.000 0.453 214 N N -0.781 117.730 118.700 -0.315 0.000 2.205 214 N HA 0.174 5.356 4.740 0.737 0.000 0.201 214 N C 1.077 176.507 175.510 -0.134 0.000 1.128 214 N CA 0.265 53.126 53.050 -0.316 0.000 0.867 214 N CB 1.298 39.367 38.487 -0.696 0.000 0.996 214 N HN 0.136 nan 8.380 nan 0.000 0.503 215 I N -1.036 119.489 120.570 -0.075 0.000 4.079 215 I HA 0.005 4.617 4.170 0.737 0.000 0.276 215 I C 1.536 177.644 176.117 -0.015 0.000 1.146 215 I CA 0.154 61.441 61.300 -0.022 0.000 1.324 215 I CB 0.281 38.293 38.000 0.021 0.000 1.638 215 I HN -0.002 nan 8.210 nan 0.000 0.436 216 C N 1.360 120.659 119.300 -0.002 0.000 2.473 216 C HA -0.046 4.856 4.460 0.737 0.000 0.279 216 C C 3.055 178.042 174.990 -0.006 0.000 1.250 216 C CA 1.238 60.260 59.018 0.007 0.000 1.713 216 C CB -1.094 26.661 27.740 0.025 0.000 2.066 216 C HN 0.600 nan 8.230 nan 0.000 0.474 217 A N 1.989 124.799 122.820 -0.016 0.000 1.869 217 A HA -0.180 4.582 4.320 0.737 0.000 0.218 217 A C 0.279 177.851 177.584 -0.021 0.000 1.203 217 A CA 2.446 54.471 52.037 -0.020 0.000 0.638 217 A CB -2.106 16.875 19.000 -0.032 0.000 0.831 217 A HN 0.470 nan 8.150 nan 0.000 0.450 218 P HA -0.131 nan 4.420 nan 0.000 0.217 218 P C 0.944 178.234 177.300 -0.017 0.000 1.151 218 P CA 1.057 64.142 63.100 -0.025 0.000 0.849 218 P CB -0.088 31.593 31.700 -0.032 0.000 0.787 219 L N -2.872 118.344 121.223 -0.013 0.000 2.667 219 L HA 0.341 5.123 4.340 0.737 0.000 0.232 219 L C 0.818 177.688 176.870 0.000 0.000 1.138 219 L CA 0.012 54.849 54.840 -0.005 0.000 0.921 219 L CB -0.736 41.320 42.059 -0.005 0.000 1.180 219 L HN 0.039 nan 8.230 nan 0.000 0.487 220 G N 2.085 110.884 108.800 -0.002 0.000 2.370 220 G HA2 -0.276 4.126 3.960 0.737 0.000 0.293 220 G HA3 -0.276 4.126 3.960 0.737 0.000 0.293 220 G C -0.242 174.661 174.900 0.004 0.000 0.992 220 G CA 0.100 45.201 45.100 0.000 0.000 1.247 220 G HN 0.316 nan 8.290 nan 0.000 0.505 221 I N 0.050 120.624 120.570 0.007 0.000 2.460 221 I HA 0.535 5.147 4.170 0.737 0.000 0.298 221 I C 1.271 177.399 176.117 0.018 0.000 0.989 221 I CA -0.282 61.026 61.300 0.014 0.000 1.173 221 I CB 2.039 40.052 38.000 0.021 0.000 1.338 221 I HN 0.251 nan 8.210 nan 0.000 0.456 222 T N -1.853 112.713 114.554 0.019 0.000 3.058 222 T HA 0.108 4.900 4.350 0.737 0.000 0.278 222 T C 0.278 174.996 174.700 0.029 0.000 0.974 222 T CA -0.276 61.837 62.100 0.022 0.000 0.893 222 T CB -0.198 68.677 68.868 0.013 0.000 1.138 222 T HN 0.652 nan 8.240 nan 0.000 0.529 223 D N 0.552 120.973 120.400 0.034 0.000 2.424 223 D HA 0.377 5.459 4.640 0.737 0.000 0.220 223 D C 0.140 176.484 176.300 0.073 0.000 1.150 223 D CA -0.485 53.542 54.000 0.044 0.000 0.831 223 D CB -0.042 40.775 40.800 0.030 0.000 0.981 223 D HN 0.271 nan 8.370 nan 0.000 0.500 224 M N 1.070 120.715 119.600 0.076 0.000 2.113 224 M HA 0.465 5.387 4.480 0.737 0.000 0.352 224 M C -0.873 175.489 176.300 0.102 0.000 1.170 224 M CA 0.279 55.635 55.300 0.093 0.000 1.053 224 M CB 1.567 34.218 32.600 0.084 0.000 1.601 224 M HN -0.021 nan 8.290 nan 0.000 0.459 225 T N 3.029 117.650 114.554 0.111 0.000 2.886 225 T HA 0.399 5.191 4.350 0.737 0.000 0.330 225 T C -0.213 174.568 174.700 0.136 0.000 1.488 225 T CA -0.530 61.660 62.100 0.150 0.000 1.054 225 T CB 0.567 69.520 68.868 0.142 0.000 1.348 225 T HN 0.530 nan 8.240 nan 0.000 0.489 226 F N 1.727 121.763 119.950 0.144 0.000 2.219 226 F HA 0.359 5.336 4.527 0.751 0.000 0.294 226 F C 1.720 177.607 175.800 0.144 0.000 1.086 226 F CA 0.484 58.575 58.000 0.152 0.000 1.330 226 F CB 0.392 39.450 39.000 0.098 0.000 1.047 226 F HN 0.230 nan 8.300 nan 0.000 0.495 227 K N 2.192 122.767 120.400 0.292 0.000 2.229 227 K HA 0.134 4.896 4.320 0.737 0.000 0.247 227 K C 0.992 177.651 176.600 0.098 0.000 1.117 227 K CA 0.001 56.387 56.287 0.166 0.000 1.036 227 K CB 0.938 33.507 32.500 0.115 0.000 1.654 227 K HN 0.217 nan 8.250 nan 0.000 0.405 228 L N 2.417 123.677 121.223 0.061 0.000 2.131 228 L HA -0.180 4.602 4.340 0.737 0.000 0.206 228 L C 1.936 178.764 176.870 -0.069 0.000 1.087 228 L CA 1.851 56.655 54.840 -0.060 0.000 0.767 228 L CB -0.195 41.681 42.059 -0.304 0.000 0.917 228 L HN 0.546 nan 8.230 nan 0.000 0.441 229 Q N -0.516 119.259 119.800 -0.042 0.000 2.325 229 Q HA -0.255 4.527 4.340 0.737 0.000 0.211 229 Q C 1.476 177.470 176.000 -0.010 0.000 0.988 229 Q CA 1.646 57.434 55.803 -0.025 0.000 0.887 229 Q CB -0.554 28.184 28.738 0.001 0.000 0.915 229 Q HN 0.523 nan 8.270 nan 0.000 0.440 230 Q N -0.068 119.735 119.800 0.004 0.000 2.228 230 Q HA 0.184 4.966 4.340 0.737 0.000 0.211 230 Q C -0.438 175.566 176.000 0.006 0.000 0.890 230 Q CA -0.190 55.619 55.803 0.010 0.000 0.953 230 Q CB 0.645 29.398 28.738 0.024 0.000 1.053 230 Q HN 0.133 nan 8.270 nan 0.000 0.471 231 R N 0.478 120.973 120.500 -0.008 0.000 2.639 231 R HA 0.176 4.958 4.340 0.737 0.000 0.273 231 R C -2.207 174.081 176.300 -0.021 0.000 1.732 231 R CA -1.578 54.517 56.100 -0.010 0.000 1.586 231 R CB 0.900 31.196 30.300 -0.007 0.000 1.263 231 R HN 0.073 nan 8.270 nan 0.000 0.615 232 P HA -0.222 nan 4.420 nan 0.000 0.215 232 P C 0.499 177.789 177.300 -0.017 0.000 1.157 232 P CA 1.563 64.653 63.100 -0.017 0.000 0.868 232 P CB 0.281 31.975 31.700 -0.009 0.000 0.788 233 D N 1.253 121.646 120.400 -0.012 0.000 2.192 233 D HA -0.253 4.829 4.640 0.737 0.000 0.189 233 D C 2.059 178.351 176.300 -0.014 0.000 1.007 233 D CA 2.210 56.204 54.000 -0.010 0.000 0.859 233 D CB -1.450 39.346 40.800 -0.006 0.000 0.936 233 D HN 0.337 nan 8.370 nan 0.000 0.447 234 M N -1.324 118.264 119.600 -0.019 0.000 2.516 234 M HA 0.286 5.208 4.480 0.737 0.000 0.259 234 M C 2.135 178.407 176.300 -0.047 0.000 1.146 234 M CA 0.179 55.465 55.300 -0.024 0.000 1.122 234 M CB 0.007 32.598 32.600 -0.015 0.000 1.341 234 M HN 0.095 nan 8.290 nan 0.000 0.478 235 L N 1.761 122.946 121.223 -0.063 0.000 2.043 235 L HA -0.148 4.634 4.340 0.737 0.000 0.212 235 L C 2.799 179.635 176.870 -0.056 0.000 1.075 235 L CA 1.866 56.651 54.840 -0.091 0.000 0.752 235 L CB -0.378 41.632 42.059 -0.081 0.000 0.891 235 L HN 0.494 nan 8.230 nan 0.000 0.432 236 A N 0.592 123.393 122.820 -0.032 0.000 1.978 236 A HA -0.224 4.538 4.320 0.737 0.000 0.220 236 A C 2.093 179.673 177.584 -0.007 0.000 1.170 236 A CA 1.806 53.833 52.037 -0.016 0.000 0.636 236 A CB -0.536 18.457 19.000 -0.012 0.000 0.810 236 A HN 0.704 nan 8.150 nan 0.000 0.448 237 R N 0.096 120.590 120.500 -0.010 0.000 2.427 237 R HA 0.163 4.945 4.340 0.737 0.000 0.262 237 R C 0.543 176.851 176.300 0.013 0.000 0.943 237 R CA -0.411 55.690 56.100 0.002 0.000 1.081 237 R CB -0.216 30.082 30.300 -0.003 0.000 1.166 237 R HN 0.583 nan 8.270 nan 0.000 0.534 238 R N 0.740 121.243 120.500 0.006 0.000 2.827 238 R HA 0.325 5.107 4.340 0.737 0.000 0.269 238 R C -0.599 175.751 176.300 0.083 0.000 1.048 238 R CA 0.080 56.198 56.100 0.031 0.000 1.173 238 R CB 0.403 30.682 30.300 -0.035 0.000 1.070 238 R HN 0.071 nan 8.270 nan 0.000 0.498 239 A N 2.379 125.282 122.820 0.138 0.000 2.362 239 A HA 0.170 4.932 4.320 0.737 0.000 0.276 239 A C -0.640 177.055 177.584 0.186 0.000 1.153 239 A CA -0.715 51.417 52.037 0.158 0.000 0.813 239 A CB 0.287 19.394 19.000 0.179 0.000 1.081 239 A HN 0.776 nan 8.150 nan 0.000 0.507 240 D N 1.926 122.433 120.400 0.179 0.000 2.341 240 D HA 0.151 5.233 4.640 0.737 0.000 0.245 240 D C 0.270 176.661 176.300 0.152 0.000 1.106 240 D CA 0.229 54.348 54.000 0.199 0.000 0.905 240 D CB 0.667 41.658 40.800 0.319 0.000 1.202 240 D HN 0.470 nan 8.370 nan 0.000 0.426 241 Q N 0.610 120.459 119.800 0.081 0.000 2.352 241 Q HA 0.209 4.991 4.340 0.737 0.000 0.260 241 Q C -0.246 175.758 176.000 0.008 0.000 0.976 241 Q CA 0.432 56.262 55.803 0.044 0.000 0.881 241 Q CB 1.021 29.767 28.738 0.013 0.000 1.235 241 Q HN 0.332 nan 8.270 nan 0.000 0.419 242 T N 2.406 116.993 114.554 0.056 0.000 2.856 242 T HA 0.317 5.109 4.350 0.737 0.000 0.283 242 T C -0.873 173.870 174.700 0.071 0.000 1.008 242 T CA -0.501 61.639 62.100 0.067 0.000 0.997 242 T CB 1.091 70.010 68.868 0.085 0.000 0.992 242 T HN 0.361 nan 8.240 nan 0.000 0.454 243 H N 2.194 121.256 119.070 -0.012 0.000 2.600 243 H HA 0.470 5.468 4.556 0.736 0.000 0.357 243 H C -0.570 174.752 175.328 -0.010 0.000 1.106 243 H CA -0.734 55.304 56.048 -0.017 0.000 1.193 243 H CB 1.581 31.326 29.762 -0.029 0.000 1.594 243 H HN 0.545 nan 8.280 nan 0.000 0.526 244 R N 4.299 124.664 120.500 -0.226 0.000 2.368 244 R HA 0.266 5.048 4.340 0.737 0.000 0.302 244 R C -0.744 175.581 176.300 0.040 0.000 1.002 244 R CA -0.627 55.422 56.100 -0.085 0.000 0.929 244 R CB 0.728 30.930 30.300 -0.163 0.000 1.073 244 R HN 0.654 nan 8.270 nan 0.000 0.464 245 N N 1.927 120.672 118.700 0.075 0.000 2.524 245 N HA 0.039 5.221 4.740 0.737 0.000 0.283 245 N C 0.294 175.823 175.510 0.032 0.000 1.142 245 N CA -0.355 52.747 53.050 0.088 0.000 0.984 245 N CB 1.683 40.205 38.487 0.058 0.000 1.155 245 N HN 0.593 nan 8.380 nan 0.000 0.467 246 S N 1.097 116.820 115.700 0.037 0.000 2.383 246 S HA -0.129 4.783 4.470 0.737 0.000 0.227 246 S C 2.018 176.616 174.600 -0.004 0.000 1.026 246 S CA 0.930 59.135 58.200 0.007 0.000 0.981 246 S CB -0.184 63.023 63.200 0.011 0.000 0.818 246 S HN 0.740 nan 8.310 nan 0.000 0.472 247 A N 2.323 125.144 122.820 0.002 0.000 1.858 247 A HA -0.143 4.619 4.320 0.737 0.000 0.216 247 A C 1.779 179.358 177.584 -0.008 0.000 1.190 247 A CA 1.879 53.913 52.037 -0.004 0.000 0.617 247 A CB -0.682 18.318 19.000 0.000 0.000 0.827 247 A HN 0.424 nan 8.150 nan 0.000 0.443 248 D N -2.335 118.063 120.400 -0.004 0.000 2.202 248 D HA 0.313 5.395 4.640 0.737 0.000 0.214 248 D C 1.571 177.860 176.300 -0.018 0.000 0.967 248 D CA 1.704 55.699 54.000 -0.008 0.000 0.871 248 D CB -0.255 40.545 40.800 0.000 0.000 1.020 248 D HN 0.664 nan 8.370 nan 0.000 0.474 249 G N -0.056 108.731 108.800 -0.021 0.000 2.176 249 G HA2 -0.273 4.129 3.960 0.737 0.000 0.232 249 G HA3 -0.273 4.129 3.960 0.737 0.000 0.232 249 G C 0.425 175.305 174.900 -0.032 0.000 0.986 249 G CA -0.107 44.970 45.100 -0.038 0.000 0.643 249 G HN 0.249 nan 8.290 nan 0.000 0.522 250 R N -0.331 120.161 120.500 -0.013 0.000 2.549 250 R HA 0.704 5.486 4.340 0.737 0.000 0.267 250 R C 0.135 176.443 176.300 0.012 0.000 1.045 250 R CA -0.503 55.596 56.100 -0.002 0.000 1.115 250 R CB 0.583 30.887 30.300 0.007 0.000 1.121 250 R HN 0.317 nan 8.270 nan 0.000 0.543 251 L N -0.389 120.848 121.223 0.023 0.000 2.342 251 L HA 0.685 5.467 4.340 0.737 0.000 0.271 251 L C -0.302 176.611 176.870 0.072 0.000 1.008 251 L CA -0.858 54.007 54.840 0.042 0.000 0.818 251 L CB 1.527 43.603 42.059 0.028 0.000 1.296 251 L HN 0.605 nan 8.230 nan 0.000 0.427 252 R N 0.442 121.002 120.500 0.100 0.000 2.888 252 R HA 0.568 5.350 4.340 0.737 0.000 0.264 252 R C -1.022 175.374 176.300 0.160 0.000 1.045 252 R CA -0.954 55.221 56.100 0.125 0.000 0.962 252 R CB 0.970 31.336 30.300 0.110 0.000 1.210 252 R HN 0.611 nan 8.270 nan 0.000 0.479 253 Y N 0.757 121.094 120.300 0.061 0.000 2.385 253 Y HA 0.246 5.240 4.550 0.740 0.000 0.346 253 Y C -0.443 175.500 175.900 0.072 0.000 1.270 253 Y CA 0.983 59.122 58.100 0.065 0.000 1.472 253 Y CB 0.795 39.284 38.460 0.049 0.000 1.354 253 Y HN 0.842 nan 8.280 nan 0.000 0.611 267 F N 1.721 121.672 119.950 0.002 0.000 2.375 267 F HA 0.582 5.546 4.527 0.729 0.000 0.333 267 F C 1.418 177.299 175.800 0.135 0.000 1.104 267 F CA 0.969 58.959 58.000 -0.016 0.000 1.149 267 F CB 0.682 39.669 39.000 -0.022 0.000 1.190 267 F HN 0.412 nan 8.300 nan 0.000 0.533 268 G N 0.155 109.122 108.800 0.278 0.000 2.684 268 G HA2 0.400 4.802 3.960 0.737 0.000 0.255 268 G HA3 0.400 4.802 3.960 0.737 0.000 0.255 268 G C 0.911 175.993 174.900 0.303 0.000 1.219 268 G CA -0.024 45.279 45.100 0.338 0.000 0.901 268 G HN 1.289 nan 8.290 nan 0.000 0.548 269 G N -1.246 107.720 108.800 0.277 0.000 2.336 269 G HA2 -0.068 4.334 3.960 0.737 0.000 0.233 269 G HA3 -0.068 4.334 3.960 0.737 0.000 0.233 269 G C 0.287 175.336 174.900 0.248 0.000 1.053 269 G CA 1.395 46.637 45.100 0.237 0.000 0.625 269 G HN 1.529 nan 8.290 nan 0.000 0.511 270 Q N -2.056 117.894 119.800 0.249 0.000 2.633 270 Q HA 0.608 5.390 4.340 0.737 0.000 0.289 270 Q C 0.304 176.409 176.000 0.176 0.000 0.940 270 Q CA 0.124 56.036 55.803 0.181 0.000 0.785 270 Q CB 1.047 29.867 28.738 0.137 0.000 1.467 270 Q HN 2.004 nan 8.270 nan 0.000 0.401 271 G N -0.767 108.061 108.800 0.046 0.000 2.215 271 G HA2 -0.052 4.350 3.960 0.737 0.000 0.198 271 G HA3 -0.052 4.350 3.960 0.737 0.000 0.198 271 G C -0.757 174.048 174.900 -0.158 0.000 1.047 271 G CA -0.177 44.933 45.100 0.017 0.000 0.747 271 G HN 0.575 nan 8.290 nan 0.000 0.495 272 V N 0.199 119.917 119.914 -0.326 0.000 2.547 272 V HA 0.766 5.328 4.120 0.737 0.000 0.299 272 V C -0.044 175.897 176.094 -0.255 0.000 1.040 272 V CA -0.710 61.336 62.300 -0.423 0.000 0.913 272 V CB 1.610 33.167 31.823 -0.444 0.000 0.992 272 V HN 0.244 nan 8.190 nan 0.000 0.449 273 F N 3.236 123.140 119.950 -0.076 0.000 2.411 273 F HA 0.655 5.642 4.527 0.767 0.000 0.352 273 F C 0.404 176.223 175.800 0.031 0.000 1.123 273 F CA 0.070 58.079 58.000 0.015 0.000 1.044 273 F CB 1.930 40.946 39.000 0.027 0.000 1.135 273 F HN 0.518 nan 8.300 nan 0.000 0.461 274 S N 2.479 118.309 115.700 0.216 0.000 2.579 274 S HA 0.767 5.679 4.470 0.737 0.000 0.272 274 S C -0.460 174.193 174.600 0.088 0.000 1.141 274 S CA -0.730 57.569 58.200 0.164 0.000 0.843 274 S CB 1.435 64.745 63.200 0.183 0.000 1.122 274 S HN 0.893 nan 8.310 nan 0.000 0.468 275 G N 2.140 110.955 108.800 0.026 0.000 2.398 275 G HA2 0.439 4.841 3.960 0.737 0.000 0.246 275 G HA3 0.439 4.841 3.960 0.737 0.000 0.246 275 G C -1.221 173.567 174.900 -0.187 0.000 1.289 275 G CA -1.303 43.742 45.100 -0.091 0.000 0.869 275 G HN 0.604 nan 8.290 nan 0.000 0.543 276 P HA -0.110 nan 4.420 nan 0.000 0.220 276 P C 1.861 179.061 177.300 -0.166 0.000 1.148 276 P CA 1.442 64.146 63.100 -0.660 0.000 0.803 276 P CB 0.131 31.145 31.700 -1.143 0.000 0.782 277 G N 0.064 108.779 108.800 -0.141 0.000 2.422 277 G HA2 -0.209 4.193 3.960 0.737 0.000 0.218 277 G HA3 -0.209 4.193 3.960 0.737 0.000 0.218 277 G C 1.754 176.656 174.900 0.004 0.000 1.146 277 G CA 0.801 45.866 45.100 -0.059 0.000 0.769 277 G HN 0.240 nan 8.290 nan 0.000 0.547 278 S N -0.567 115.145 115.700 0.020 0.000 2.371 278 S HA -0.049 4.863 4.470 0.737 0.000 0.224 278 S C 1.945 176.600 174.600 0.091 0.000 1.029 278 S CA 0.655 58.883 58.200 0.048 0.000 0.978 278 S CB -0.416 62.813 63.200 0.049 0.000 0.833 278 S HN 0.448 nan 8.310 nan 0.000 0.466 279 Y N 1.779 122.097 120.300 0.029 0.000 2.151 279 Y HA -0.263 4.696 4.550 0.682 0.000 0.284 279 Y C 2.412 178.346 175.900 0.058 0.000 1.166 279 Y CA 1.849 59.990 58.100 0.070 0.000 1.163 279 Y CB -0.351 38.218 38.460 0.181 0.000 0.974 279 Y HN 0.191 nan 8.280 nan 0.000 0.511 280 M N 0.764 120.487 119.600 0.204 0.000 2.065 280 M HA -0.258 4.664 4.480 0.737 0.000 0.259 280 M C 1.972 178.305 176.300 0.055 0.000 1.069 280 M CA 1.949 57.326 55.300 0.128 0.000 1.110 280 M CB -0.562 32.090 32.600 0.087 0.000 1.328 280 M HN 0.105 nan 8.290 nan 0.000 0.405 281 K N -0.960 119.465 120.400 0.042 0.000 2.107 281 K HA -0.217 4.545 4.320 0.737 0.000 0.211 281 K C 1.855 178.474 176.600 0.033 0.000 1.049 281 K CA 1.956 58.277 56.287 0.057 0.000 0.927 281 K CB -0.817 31.703 32.500 0.032 0.000 0.714 281 K HN 0.311 nan 8.250 nan 0.000 0.452 282 V N 1.658 121.533 119.914 -0.065 0.000 2.295 282 V HA -0.232 4.330 4.120 0.737 0.000 0.246 282 V C 2.231 178.247 176.094 -0.130 0.000 1.049 282 V CA 1.609 63.821 62.300 -0.146 0.000 1.024 282 V CB -0.381 31.247 31.823 -0.325 0.000 0.648 282 V HN 0.282 nan 8.190 nan 0.000 0.447 283 L N -0.770 120.369 121.223 -0.140 0.000 2.127 283 L HA -0.220 4.562 4.340 0.737 0.000 0.211 283 L C 2.551 179.479 176.870 0.095 0.000 1.089 283 L CA 1.565 56.376 54.840 -0.049 0.000 0.757 283 L CB -0.690 41.387 42.059 0.031 0.000 0.899 283 L HN 0.440 nan 8.230 nan 0.000 0.434 284 H N 0.013 119.075 119.070 -0.014 0.000 2.284 284 H HA -0.129 4.867 4.556 0.734 0.000 0.304 284 H C 2.522 177.845 175.328 -0.008 0.000 1.069 284 H CA 1.543 57.593 56.048 0.003 0.000 1.327 284 H CB -0.264 29.501 29.762 0.005 0.000 1.387 284 H HN 0.333 nan 8.280 nan 0.000 0.498 285 S N 0.385 116.079 115.700 -0.010 0.000 2.374 285 S HA -0.190 4.722 4.470 0.737 0.000 0.227 285 S C 2.412 176.975 174.600 -0.061 0.000 1.037 285 S CA 1.605 59.755 58.200 -0.083 0.000 1.024 285 S CB -0.928 62.245 63.200 -0.046 0.000 0.861 285 S HN 0.402 nan 8.310 nan 0.000 0.456 286 L N 0.464 121.677 121.223 -0.017 0.000 1.994 286 L HA -0.078 4.704 4.340 0.737 0.000 0.208 286 L C 2.734 179.611 176.870 0.011 0.000 1.071 286 L CA 1.562 56.413 54.840 0.019 0.000 0.745 286 L CB -0.773 41.323 42.059 0.062 0.000 0.892 286 L HN 0.350 nan 8.230 nan 0.000 0.431 287 L N 1.140 122.383 121.223 0.032 0.000 2.013 287 L HA -0.230 4.552 4.340 0.737 0.000 0.212 287 L C 2.001 178.834 176.870 -0.062 0.000 1.073 287 L CA 1.989 56.837 54.840 0.013 0.000 0.753 287 L CB -0.580 41.532 42.059 0.088 0.000 0.890 287 L HN 0.317 nan 8.230 nan 0.000 0.432 288 K N -0.042 120.297 120.400 -0.102 0.000 2.814 288 K HA 0.193 4.955 4.320 0.737 0.000 0.213 288 K C 0.261 176.795 176.600 -0.110 0.000 1.113 288 K CA -0.105 56.105 56.287 -0.129 0.000 1.145 288 K CB 0.006 32.369 32.500 -0.229 0.000 0.948 288 K HN 0.400 nan 8.250 nan 0.000 0.464 289 R N 0.613 121.062 120.500 -0.085 0.000 3.973 289 R HA -0.258 4.524 4.340 0.737 0.000 0.322 289 R C 0.265 176.530 176.300 -0.059 0.000 1.238 289 R CA 1.943 58.004 56.100 -0.065 0.000 0.937 289 R CB -2.703 27.559 30.300 -0.063 0.000 1.340 289 R HN 0.707 nan 8.270 nan 0.000 0.552 290 D N 0.694 121.049 120.400 -0.075 0.000 2.309 290 D HA -0.081 5.001 4.640 0.737 0.000 0.212 290 D C 1.475 177.748 176.300 -0.046 0.000 0.968 290 D CA 1.675 55.633 54.000 -0.070 0.000 0.882 290 D CB -0.556 40.184 40.800 -0.099 0.000 0.918 290 D HN 0.756 nan 8.370 nan 0.000 0.503 291 G N 0.080 108.858 108.800 -0.036 0.000 2.168 291 G HA2 -0.323 4.079 3.960 0.737 0.000 0.263 291 G HA3 -0.323 4.079 3.960 0.737 0.000 0.263 291 G C 0.897 175.785 174.900 -0.020 0.000 0.977 291 G CA 0.579 45.665 45.100 -0.022 0.000 0.659 291 G HN 0.389 nan 8.290 nan 0.000 0.533 292 L N -0.454 120.753 121.223 -0.026 0.000 2.156 292 L HA 0.190 4.972 4.340 0.737 0.000 0.208 292 L C 2.503 179.361 176.870 -0.019 0.000 1.095 292 L CA 2.554 57.380 54.840 -0.023 0.000 0.770 292 L CB -0.172 41.871 42.059 -0.027 0.000 0.914 292 L HN 0.574 nan 8.230 nan 0.000 0.439 293 L N -5.442 115.772 121.223 -0.016 0.000 2.840 293 L HA 0.457 5.239 4.340 0.737 0.000 0.249 293 L C 0.108 176.982 176.870 0.006 0.000 1.119 293 L CA 0.222 55.056 54.840 -0.010 0.000 0.930 293 L CB -0.105 41.945 42.059 -0.015 0.000 1.295 293 L HN -0.122 nan 8.230 nan 0.000 0.534 294 L N -0.527 120.700 121.223 0.006 0.000 2.357 294 L HA 0.612 5.394 4.340 0.737 0.000 0.244 294 L C -1.217 175.660 176.870 0.012 0.000 1.115 294 L CA -0.264 54.587 54.840 0.019 0.000 0.919 294 L CB 2.015 44.091 42.059 0.027 0.000 1.532 294 L HN 0.170 nan 8.230 nan 0.000 0.416 295 Q N 0.972 120.783 119.800 0.018 0.000 2.339 295 Q HA 0.368 5.150 4.340 0.737 0.000 0.268 295 Q C -1.994 174.014 176.000 0.013 0.000 1.027 295 Q CA -1.722 54.088 55.803 0.012 0.000 0.759 295 Q CB 1.968 30.714 28.738 0.013 0.000 1.244 295 Q HN 0.284 nan 8.270 nan 0.000 0.464 296 P HA -0.321 nan 4.420 nan 0.000 0.226 296 P C 0.566 177.869 177.300 0.006 0.000 1.154 296 P CA 1.621 64.719 63.100 -0.003 0.000 0.901 296 P CB 0.396 32.087 31.700 -0.016 0.000 0.788 297 Q N -1.551 118.255 119.800 0.010 0.000 2.050 297 Q HA -0.140 4.642 4.340 0.737 0.000 0.202 297 Q C 2.273 178.293 176.000 0.032 0.000 0.980 297 Q CA 2.473 58.285 55.803 0.016 0.000 0.840 297 Q CB -1.478 27.268 28.738 0.013 0.000 0.898 297 Q HN 0.422 nan 8.270 nan 0.000 0.424 298 T N -2.760 111.815 114.554 0.035 0.000 3.023 298 T HA -0.006 4.786 4.350 0.737 0.000 0.266 298 T C 1.830 176.573 174.700 0.073 0.000 1.093 298 T CA 0.833 62.961 62.100 0.047 0.000 1.129 298 T CB -0.345 68.547 68.868 0.039 0.000 0.899 298 T HN 0.034 nan 8.240 nan 0.000 0.491 299 V N 2.408 122.369 119.914 0.078 0.000 2.358 299 V HA -0.137 4.425 4.120 0.737 0.000 0.246 299 V C 2.608 178.825 176.094 0.206 0.000 1.047 299 V CA 2.058 64.439 62.300 0.135 0.000 1.035 299 V CB -0.643 31.237 31.823 0.095 0.000 0.658 299 V HN 0.469 nan 8.190 nan 0.000 0.452 300 D N 0.067 120.533 120.400 0.110 0.000 2.133 300 D HA -0.195 4.887 4.640 0.737 0.000 0.195 300 D C 2.166 178.570 176.300 0.174 0.000 0.997 300 D CA 1.241 55.303 54.000 0.104 0.000 0.840 300 D CB -0.266 40.557 40.800 0.039 0.000 0.947 300 D HN 0.316 nan 8.370 nan 0.000 0.452 301 L N 0.174 121.475 121.223 0.130 0.000 2.012 301 L HA -0.191 4.591 4.340 0.737 0.000 0.210 301 L C 2.619 179.562 176.870 0.123 0.000 1.073 301 L CA 0.995 55.900 54.840 0.107 0.000 0.748 301 L CB -0.306 41.796 42.059 0.071 0.000 0.891 301 L HN 0.096 nan 8.230 nan 0.000 0.431 302 M N -1.335 118.350 119.600 0.142 0.000 2.143 302 M HA -0.277 4.645 4.480 0.737 0.000 0.258 302 M C 1.906 178.178 176.300 -0.048 0.000 1.071 302 M CA 1.944 57.269 55.300 0.043 0.000 1.088 302 M CB -0.405 32.208 32.600 0.021 0.000 1.360 302 M HN 0.121 nan 8.290 nan 0.000 0.404 303 F N -0.204 119.758 119.950 0.021 0.000 2.780 303 F HA 0.028 5.005 4.527 0.751 0.000 0.299 303 F C 1.008 176.814 175.800 0.010 0.000 1.146 303 F CA 0.149 58.158 58.000 0.015 0.000 1.428 303 F CB -0.145 38.867 39.000 0.021 0.000 1.115 303 F HN 0.037 nan 8.300 nan 0.000 0.583 304 Q N 1.699 121.594 119.800 0.157 0.000 2.296 304 Q HA 0.179 4.961 4.340 0.737 0.000 0.262 304 Q C -2.330 173.710 176.000 0.066 0.000 0.981 304 Q CA -2.471 53.392 55.803 0.099 0.000 0.905 304 Q CB 0.130 28.916 28.738 0.080 0.000 1.186 304 Q HN 0.009 nan 8.270 nan 0.000 0.399 305 P HA 0.060 nan 4.420 nan 0.000 0.269 305 P C -0.139 177.201 177.300 0.066 0.000 1.263 305 P CA 0.173 63.303 63.100 0.049 0.000 0.813 305 P CB 0.550 32.271 31.700 0.036 0.000 0.868 306 A N 5.222 128.100 122.820 0.096 0.000 2.067 306 A HA -0.004 4.758 4.320 0.737 0.000 0.217 306 A C 1.004 178.648 177.584 0.100 0.000 1.156 306 A CA 0.644 52.742 52.037 0.101 0.000 0.683 306 A CB -0.415 18.666 19.000 0.136 0.000 0.808 306 A HN 0.411 nan 8.150 nan 0.000 0.455 307 L N 1.920 123.210 121.223 0.111 0.000 2.418 307 L HA 0.131 4.913 4.340 0.737 0.000 0.274 307 L C 0.032 176.943 176.870 0.069 0.000 1.135 307 L CA 0.184 55.086 54.840 0.102 0.000 0.870 307 L CB -0.052 42.059 42.059 0.087 0.000 1.154 307 L HN 0.404 nan 8.230 nan 0.000 0.462 308 E N 5.502 125.742 120.200 0.068 0.000 2.436 308 E HA -0.041 4.751 4.350 0.737 0.000 0.262 308 E C -1.468 175.158 176.600 0.043 0.000 1.063 308 E CA -0.777 55.653 56.400 0.050 0.000 0.944 308 E CB 0.188 29.918 29.700 0.051 0.000 0.950 308 E HN 0.396 nan 8.360 nan 0.000 0.444 309 P HA -0.226 nan 4.420 nan 0.000 0.215 309 P C 1.172 178.488 177.300 0.028 0.000 1.157 309 P CA 1.317 64.433 63.100 0.027 0.000 0.868 309 P CB 0.148 31.861 31.700 0.022 0.000 0.788 310 R N 0.281 120.800 120.500 0.030 0.000 2.153 310 R HA 0.005 4.787 4.340 0.737 0.000 0.218 310 R C 1.966 178.290 176.300 0.040 0.000 1.072 310 R CA 1.192 57.310 56.100 0.031 0.000 0.990 310 R CB -1.423 28.894 30.300 0.028 0.000 0.889 310 R HN 0.229 nan 8.270 nan 0.000 0.452 311 L N 1.443 122.695 121.223 0.049 0.000 2.027 311 L HA -0.151 4.631 4.340 0.737 0.000 0.206 311 L C 2.612 179.517 176.870 0.059 0.000 1.074 311 L CA 2.077 56.958 54.840 0.068 0.000 0.745 311 L CB -0.428 41.683 42.059 0.087 0.000 0.898 311 L HN 0.332 nan 8.230 nan 0.000 0.433 312 E N -0.697 119.525 120.200 0.038 0.000 2.338 312 E HA -0.229 4.563 4.350 0.737 0.000 0.197 312 E C 1.906 178.506 176.600 -0.001 0.000 1.007 312 E CA 0.895 57.299 56.400 0.006 0.000 0.849 312 E CB -0.100 29.603 29.700 0.005 0.000 0.774 312 E HN 0.347 nan 8.360 nan 0.000 0.506 313 E N 1.173 121.384 120.200 0.018 0.000 2.033 313 E HA -0.190 4.603 4.350 0.737 0.000 0.189 313 E C 2.200 178.821 176.600 0.034 0.000 0.979 313 E CA 1.519 57.931 56.400 0.020 0.000 0.802 313 E CB -0.039 29.675 29.700 0.024 0.000 0.763 313 E HN 0.601 nan 8.360 nan 0.000 0.449 314 Q N 0.297 120.128 119.800 0.052 0.000 2.234 314 Q HA -0.142 4.640 4.340 0.737 0.000 0.206 314 Q C 2.145 178.212 176.000 0.112 0.000 0.980 314 Q CA 1.892 57.744 55.803 0.081 0.000 0.869 314 Q CB -0.500 28.288 28.738 0.083 0.000 0.912 314 Q HN 0.218 nan 8.270 nan 0.000 0.436 315 M N 0.341 119.984 119.600 0.072 0.000 2.077 315 M HA -0.149 4.773 4.480 0.737 0.000 0.261 315 M C 1.289 177.579 176.300 -0.016 0.000 1.070 315 M CA 1.697 57.011 55.300 0.023 0.000 1.125 315 M CB -0.199 32.284 32.600 -0.194 0.000 1.339 315 M HN 0.303 nan 8.290 nan 0.000 0.409 316 N N 0.677 119.352 118.700 -0.042 0.000 2.061 316 N HA -0.226 4.956 4.740 0.737 0.000 0.193 316 N C 1.682 177.196 175.510 0.008 0.000 1.030 316 N CA 1.641 54.669 53.050 -0.037 0.000 0.856 316 N CB -0.593 37.877 38.487 -0.028 0.000 1.023 316 N HN 0.566 nan 8.380 nan 0.000 0.424 317 Q N -0.219 119.609 119.800 0.047 0.000 2.050 317 Q HA -0.199 4.583 4.340 0.737 0.000 0.202 317 Q C 1.982 178.051 176.000 0.115 0.000 0.980 317 Q CA 1.462 57.308 55.803 0.072 0.000 0.840 317 Q CB -0.376 28.412 28.738 0.084 0.000 0.898 317 Q HN 0.576 nan 8.270 nan 0.000 0.424 318 H N 0.756 119.867 119.070 0.068 0.000 2.293 318 H HA -0.063 4.933 4.556 0.734 0.000 0.300 318 H C 1.971 177.373 175.328 0.124 0.000 1.082 318 H CA 1.970 58.087 56.048 0.115 0.000 1.308 318 H CB -0.174 29.685 29.762 0.162 0.000 1.375 318 H HN 0.097 nan 8.280 nan 0.000 0.495 319 M N 0.081 119.594 119.600 -0.145 0.000 2.159 319 M HA -0.140 4.782 4.480 0.737 0.000 0.263 319 M C 1.533 177.779 176.300 -0.089 0.000 1.063 319 M CA 1.603 56.811 55.300 -0.153 0.000 1.110 319 M CB -0.194 32.357 32.600 -0.082 0.000 1.374 319 M HN 0.325 nan 8.290 nan 0.000 0.411 320 D N 0.930 121.302 120.400 -0.047 0.000 2.097 320 D HA -0.064 5.018 4.640 0.737 0.000 0.197 320 D C 1.982 178.272 176.300 -0.017 0.000 0.984 320 D CA 1.575 55.562 54.000 -0.023 0.000 0.826 320 D CB -0.201 40.597 40.800 -0.003 0.000 0.973 320 D HN 0.327 nan 8.370 nan 0.000 0.460 321 A N 0.515 123.335 122.820 -0.001 0.000 2.121 321 A HA -0.047 4.715 4.320 0.737 0.000 0.218 321 A C 1.190 178.791 177.584 0.029 0.000 1.154 321 A CA 0.973 53.032 52.037 0.037 0.000 0.679 321 A CB -0.160 18.893 19.000 0.088 0.000 0.795 321 A HN 0.223 nan 8.150 nan 0.000 0.458 322 S N -0.645 115.007 115.700 -0.079 0.000 2.468 322 S HA 0.421 5.333 4.470 0.737 0.000 0.190 322 S C -1.803 172.639 174.600 -0.264 0.000 1.445 322 S CA -1.012 57.069 58.200 -0.200 0.000 1.084 322 S CB 1.095 64.100 63.200 -0.324 0.000 1.175 322 S HN 0.319 nan 8.310 nan 0.000 0.484 323 P HA -0.112 nan 4.420 nan 0.000 0.227 323 P C 1.394 178.637 177.300 -0.096 0.000 1.161 323 P CA 0.876 63.925 63.100 -0.086 0.000 0.788 323 P CB -0.242 31.452 31.700 -0.011 0.000 0.822 324 H N -0.332 118.713 119.070 -0.043 0.000 2.457 324 H HA 0.052 5.052 4.556 0.740 0.000 0.294 324 H C 1.817 177.120 175.328 -0.041 0.000 1.064 324 H CA 0.650 56.673 56.048 -0.040 0.000 1.330 324 H CB -0.916 28.833 29.762 -0.022 0.000 1.395 324 H HN 0.163 nan 8.280 nan 0.000 0.541 325 I N 0.733 120.984 120.570 -0.532 0.000 2.385 325 I HA -0.147 4.465 4.170 0.737 0.000 0.244 325 I C 0.412 176.391 176.117 -0.231 0.000 1.089 325 I CA 0.610 61.660 61.300 -0.417 0.000 1.410 325 I CB -0.372 37.205 38.000 -0.705 0.000 1.117 325 I HN 0.154 nan 8.210 nan 0.000 0.429 326 N N 0.693 119.241 118.700 -0.253 0.000 2.608 326 N HA -0.254 4.928 4.740 0.737 0.000 0.273 326 N C 0.155 175.711 175.510 0.077 0.000 1.133 326 N CA 0.346 53.358 53.050 -0.063 0.000 0.726 326 N CB -1.257 37.193 38.487 -0.062 0.000 0.890 326 N HN 0.308 nan 8.380 nan 0.000 0.548 327 Y N -0.321 119.984 120.300 0.008 0.000 2.274 327 Y HA -0.016 4.966 4.550 0.719 0.000 0.290 327 Y C 2.371 178.252 175.900 -0.032 0.000 1.145 327 Y CA 1.399 59.450 58.100 -0.081 0.000 1.203 327 Y CB -0.293 38.112 38.460 -0.092 0.000 0.984 327 Y HN 0.514 nan 8.280 nan 0.000 0.533 328 G N -0.625 108.256 108.800 0.135 0.000 2.440 328 G HA2 0.094 4.496 3.960 0.737 0.000 0.218 328 G HA3 0.094 4.496 3.960 0.737 0.000 0.218 328 G C 1.613 176.537 174.900 0.040 0.000 1.154 328 G CA 1.196 46.322 45.100 0.043 0.000 0.767 328 G HN 0.686 nan 8.290 nan 0.000 0.552 329 G N 0.399 109.233 108.800 0.057 0.000 3.594 329 G HA2 -0.281 4.121 3.960 0.737 0.000 0.285 329 G HA3 -0.281 4.121 3.960 0.737 0.000 0.285 329 G C -0.580 174.249 174.900 -0.118 0.000 1.551 329 G CA 0.830 45.887 45.100 -0.072 0.000 1.061 329 G HN 0.519 nan 8.290 nan 0.000 0.624 330 P HA 0.207 nan 4.420 nan 0.000 0.245 330 P C 1.170 178.589 177.300 0.199 0.000 1.199 330 P CA 1.161 64.311 63.100 0.084 0.000 0.807 330 P CB -0.042 31.771 31.700 0.189 0.000 1.002 331 M N -0.936 118.715 119.600 0.085 0.000 2.288 331 M HA 0.586 5.508 4.480 0.737 0.000 0.334 331 M C -2.471 173.849 176.300 0.033 0.000 1.150 331 M CA -2.324 52.983 55.300 0.011 0.000 1.118 331 M CB -0.364 32.103 32.600 -0.221 0.000 1.501 331 M HN -0.379 nan 8.290 nan 0.000 0.462 332 P HA -0.120 nan 4.420 nan 0.000 0.262 332 P C 0.470 177.773 177.300 0.005 0.000 1.151 332 P CA 0.416 63.545 63.100 0.050 0.000 0.757 332 P CB 0.265 31.987 31.700 0.036 0.000 0.754 333 M N 2.106 121.709 119.600 0.004 0.000 2.132 333 M HA -0.053 4.869 4.480 0.737 0.000 0.263 333 M C 0.647 176.938 176.300 -0.014 0.000 1.065 333 M CA 1.505 56.798 55.300 -0.012 0.000 1.122 333 M CB -0.591 32.000 32.600 -0.015 0.000 1.365 333 M HN 0.044 nan 8.290 nan 0.000 0.411 334 V N 2.085 121.995 119.914 -0.008 0.000 2.383 334 V HA 0.459 5.021 4.120 0.737 0.000 0.275 334 V C -0.065 176.020 176.094 -0.015 0.000 1.036 334 V CA -0.320 61.974 62.300 -0.010 0.000 0.889 334 V CB 1.834 33.655 31.823 -0.003 0.000 0.985 334 V HN 0.268 nan 8.190 nan 0.000 0.459 335 L N 4.511 125.718 121.223 -0.027 0.000 2.622 335 L HA 0.590 5.372 4.340 0.737 0.000 0.258 335 L C -0.668 176.178 176.870 -0.040 0.000 0.996 335 L CA -0.922 53.895 54.840 -0.038 0.000 0.858 335 L CB 2.678 44.701 42.059 -0.060 0.000 1.449 335 L HN 0.608 nan 8.230 nan 0.000 0.411 336 R N 2.430 122.906 120.500 -0.041 0.000 2.198 336 R HA 0.557 5.339 4.340 0.737 0.000 0.339 336 R C -1.211 175.057 176.300 -0.054 0.000 1.020 336 R CA -0.361 55.715 56.100 -0.039 0.000 0.864 336 R CB 0.694 30.978 30.300 -0.027 0.000 1.105 336 R HN 0.534 nan 8.270 nan 0.000 0.463 337 R N 1.726 122.186 120.500 -0.066 0.000 2.912 337 R HA 0.552 5.334 4.340 0.737 0.000 0.262 337 R C -0.849 175.404 176.300 -0.078 0.000 1.057 337 R CA -0.815 55.236 56.100 -0.081 0.000 0.981 337 R CB 1.855 32.091 30.300 -0.107 0.000 1.201 337 R HN 0.482 nan 8.270 nan 0.000 0.484 338 S N -0.699 114.958 115.700 -0.071 0.000 2.900 338 S HA 0.735 5.647 4.470 0.737 0.000 0.320 338 S C -1.747 172.839 174.600 -0.023 0.000 1.130 338 S CA -0.599 57.574 58.200 -0.045 0.000 0.863 338 S CB 0.783 63.979 63.200 -0.006 0.000 1.295 338 S HN 0.350 nan 8.310 nan 0.000 0.596 339 F N -0.115 119.764 119.950 -0.119 0.000 2.576 339 F HA 0.731 5.687 4.527 0.714 0.000 0.313 339 F C 0.440 176.240 175.800 0.000 0.000 1.078 339 F CA 0.050 58.005 58.000 -0.075 0.000 0.921 339 F CB 1.713 40.668 39.000 -0.074 0.000 1.232 339 F HN 0.688 nan 8.300 nan 0.000 0.459 340 G N 2.855 111.545 108.800 -0.183 0.000 3.341 340 G HA2 0.441 4.843 3.960 0.737 0.000 0.177 340 G HA3 0.441 4.843 3.960 0.737 0.000 0.177 340 G C -1.259 173.712 174.900 0.118 0.000 1.236 340 G CA -0.698 44.383 45.100 -0.032 0.000 0.888 340 G HN 0.522 nan 8.290 nan 0.000 0.644 341 L N 1.106 122.332 121.223 0.004 0.000 2.445 341 L HA 0.573 5.355 4.340 0.737 0.000 0.252 341 L C 0.851 177.741 176.870 0.033 0.000 1.105 341 L CA 0.244 55.141 54.840 0.094 0.000 0.943 341 L CB 0.991 43.090 42.059 0.067 0.000 1.277 341 L HN 0.963 nan 8.230 nan 0.000 0.465 342 G N 0.901 109.750 108.800 0.082 0.000 2.901 342 G HA2 0.052 4.454 3.960 0.737 0.000 0.194 342 G HA3 0.052 4.454 3.960 0.737 0.000 0.194 342 G C 0.163 175.054 174.900 -0.014 0.000 1.020 342 G CA -0.115 45.036 45.100 0.085 0.000 0.787 342 G HN 0.853 nan 8.290 nan 0.000 0.477 343 G N -0.604 107.892 108.800 -0.506 0.000 2.561 343 G HA2 0.563 4.965 3.960 0.737 0.000 0.310 343 G HA3 0.563 4.965 3.960 0.737 0.000 0.310 343 G C -1.179 172.896 174.900 -1.375 0.000 1.292 343 G CA -0.395 44.267 45.100 -0.730 0.000 0.811 343 G HN 0.540 nan 8.290 nan 0.000 0.482 344 I N 0.670 120.898 120.570 -0.571 0.000 2.532 344 I HA 0.429 5.041 4.170 0.737 0.000 0.292 344 I C -0.121 175.815 176.117 -0.301 0.000 1.014 344 I CA -0.258 60.814 61.300 -0.380 0.000 1.340 344 I CB 1.099 39.039 38.000 -0.099 0.000 1.422 344 I HN 0.253 nan 8.210 nan 0.000 0.528 345 I N 3.884 124.319 120.570 -0.225 0.000 2.418 345 I HA 0.319 4.931 4.170 0.737 0.000 0.287 345 I C 0.352 176.413 176.117 -0.095 0.000 1.008 345 I CA -0.780 60.438 61.300 -0.137 0.000 1.104 345 I CB 1.900 39.839 38.000 -0.101 0.000 1.264 345 I HN 0.630 nan 8.210 nan 0.000 0.438 346 A N 7.146 129.915 122.820 -0.086 0.000 2.473 346 A HA 0.241 5.003 4.320 0.737 0.000 0.282 346 A C 1.108 178.658 177.584 -0.055 0.000 1.163 346 A CA 0.004 51.986 52.037 -0.091 0.000 0.827 346 A CB -0.023 18.901 19.000 -0.127 0.000 1.098 346 A HN 0.893 nan 8.150 nan 0.000 0.515 347 L N 1.477 122.670 121.223 -0.050 0.000 2.109 347 L HA -0.048 4.734 4.340 0.737 0.000 0.207 347 L C 1.730 178.585 176.870 -0.023 0.000 1.086 347 L CA 1.258 56.081 54.840 -0.027 0.000 0.760 347 L CB -0.177 41.867 42.059 -0.025 0.000 0.910 347 L HN 0.949 nan 8.230 nan 0.000 0.437 348 E N -0.928 119.251 120.200 -0.035 0.000 2.405 348 E HA 0.133 4.925 4.350 0.737 0.000 0.249 348 E C -0.823 175.750 176.600 -0.044 0.000 1.028 348 E CA -0.890 55.493 56.400 -0.029 0.000 0.897 348 E CB 1.076 30.762 29.700 -0.024 0.000 1.262 348 E HN -0.127 nan 8.360 nan 0.000 0.442 349 D N 0.411 120.791 120.400 -0.033 0.000 2.277 349 D HA 0.099 5.182 4.640 0.737 0.000 0.249 349 D C 0.905 177.169 176.300 -0.060 0.000 1.134 349 D CA -0.225 53.752 54.000 -0.038 0.000 0.863 349 D CB 1.449 42.246 40.800 -0.005 0.000 1.143 349 D HN 0.336 nan 8.370 nan 0.000 0.458 350 L N 2.768 123.912 121.223 -0.131 0.000 2.046 350 L HA -0.093 4.689 4.340 0.737 0.000 0.208 350 L C 0.973 177.846 176.870 0.005 0.000 1.077 350 L CA 1.482 56.214 54.840 -0.180 0.000 0.747 350 L CB -0.091 41.637 42.059 -0.551 0.000 0.896 350 L HN 0.438 nan 8.230 nan 0.000 0.432 351 D N -1.423 119.015 120.400 0.063 0.000 2.881 351 D HA 0.361 5.443 4.640 0.737 0.000 0.238 351 D C 0.414 176.774 176.300 0.100 0.000 1.368 351 D CA 0.593 54.670 54.000 0.127 0.000 0.871 351 D CB -0.209 40.735 40.800 0.240 0.000 1.516 351 D HN 0.222 nan 8.370 nan 0.000 0.544 352 G N 2.827 111.666 108.800 0.066 0.000 2.596 352 G HA2 -0.356 4.046 3.960 0.737 0.000 0.295 352 G HA3 -0.356 4.046 3.960 0.737 0.000 0.295 352 G C 0.711 175.656 174.900 0.075 0.000 1.240 352 G CA 0.605 45.742 45.100 0.061 0.000 0.985 352 G HN 0.442 nan 8.290 nan 0.000 0.555 353 E N 1.258 121.507 120.200 0.082 0.000 2.465 353 E HA 0.210 5.002 4.350 0.737 0.000 0.191 353 E C 2.039 178.728 176.600 0.148 0.000 1.053 353 E CA 0.462 56.925 56.400 0.105 0.000 0.869 353 E CB 0.059 29.806 29.700 0.079 0.000 0.977 353 E HN 0.433 nan 8.360 nan 0.000 0.483 354 N N -0.577 118.206 118.700 0.137 0.000 2.250 354 N HA -0.038 5.144 4.740 0.737 0.000 0.181 354 N C 0.086 175.704 175.510 0.180 0.000 1.017 354 N CA 0.686 53.819 53.050 0.138 0.000 0.866 354 N CB 0.113 38.655 38.487 0.092 0.000 0.985 354 N HN 0.157 nan 8.380 nan 0.000 0.429 355 W N 0.840 122.053 121.300 -0.145 0.000 3.846 355 W HA 0.475 5.576 4.660 0.735 0.000 0.453 355 W C -0.297 175.973 176.519 -0.415 0.000 1.244 355 W CA -1.184 55.853 57.345 -0.513 0.000 0.870 355 W CB -0.147 28.969 29.460 -0.573 0.000 2.310 355 W HN -0.386 nan 8.180 nan 0.000 0.658 356 R N 1.988 122.031 120.500 -0.761 0.000 2.734 356 R HA 0.176 4.958 4.340 0.737 0.000 0.266 356 R C -0.111 176.100 176.300 -0.150 0.000 1.044 356 R CA -0.051 55.784 56.100 -0.441 0.000 1.128 356 R CB 0.295 30.179 30.300 -0.694 0.000 1.010 356 R HN 0.024 nan 8.270 nan 0.000 0.461 357 R N 1.938 122.440 120.500 0.005 0.000 2.664 357 R HA 0.176 4.958 4.340 0.737 0.000 0.286 357 R C -0.376 175.923 176.300 -0.002 0.000 0.967 357 R CA -1.084 55.029 56.100 0.022 0.000 0.933 357 R CB 0.824 31.171 30.300 0.078 0.000 1.146 357 R HN 0.529 nan 8.270 nan 0.000 0.468 358 K N 0.638 121.035 120.400 -0.005 0.000 2.513 358 K HA -0.133 4.629 4.320 0.737 0.000 0.275 358 K C 0.624 177.242 176.600 0.030 0.000 1.025 358 K CA 1.803 58.091 56.287 0.001 0.000 1.125 358 K CB -0.104 32.399 32.500 0.006 0.000 0.843 358 K HN 0.819 nan 8.250 nan 0.000 0.486 359 G N 2.107 110.934 108.800 0.045 0.000 2.307 359 G HA2 -0.294 4.108 3.960 0.737 0.000 0.210 359 G HA3 -0.294 4.108 3.960 0.737 0.000 0.210 359 G C -0.052 174.962 174.900 0.190 0.000 1.005 359 G CA 0.129 45.292 45.100 0.106 0.000 0.634 359 G HN 1.006 nan 8.290 nan 0.000 0.496 360 S N 0.516 116.297 115.700 0.136 0.000 2.558 360 S HA 0.483 5.395 4.470 0.737 0.000 0.288 360 S C -0.047 174.632 174.600 0.132 0.000 1.318 360 S CA 0.411 58.723 58.200 0.186 0.000 1.056 360 S CB 1.871 65.126 63.200 0.092 0.000 0.853 360 S HN 1.542 nan 8.310 nan 0.000 0.505 361 L N 3.058 124.389 121.223 0.180 0.000 2.316 361 L HA 0.596 5.378 4.340 0.737 0.000 0.280 361 L C -0.037 176.868 176.870 0.058 0.000 1.006 361 L CA 0.097 54.915 54.840 -0.037 0.000 0.836 361 L CB 1.616 43.408 42.059 -0.446 0.000 1.221 361 L HN 0.951 nan 8.230 nan 0.000 0.418 362 T N 3.968 118.442 114.554 -0.133 0.000 2.918 362 T HA 0.730 5.522 4.350 0.737 0.000 0.286 362 T C -1.165 173.161 174.700 -0.625 0.000 1.026 362 T CA -0.176 61.708 62.100 -0.360 0.000 1.031 362 T CB 0.754 69.487 68.868 -0.225 0.000 1.046 362 T HN 0.445 nan 8.240 nan 0.000 0.479 363 F N 0.493 119.488 119.950 -1.591 0.000 2.985 363 F HA 0.753 5.577 4.527 0.495 0.000 0.322 363 F C -0.154 175.037 175.800 -1.015 0.000 1.187 363 F CA 0.160 57.564 58.000 -0.995 0.000 0.910 363 F CB 1.411 40.089 39.000 -0.536 0.000 1.411 363 F HN 0.887 nan 8.300 nan 0.000 0.492 364 G N -0.392 107.869 108.800 -0.898 0.000 2.550 364 G HA2 0.552 4.954 3.960 0.737 0.000 0.293 364 G HA3 0.552 4.954 3.960 0.737 0.000 0.293 364 G C -1.725 172.909 174.900 -0.443 0.000 1.402 364 G CA -0.188 44.636 45.100 -0.459 0.000 0.784 364 G HN 1.066 nan 8.290 nan 0.000 0.482 365 G N -1.508 107.168 108.800 -0.206 0.000 2.498 365 G HA2 0.602 5.004 3.960 0.737 0.000 0.312 365 G HA3 0.602 5.004 3.960 0.737 0.000 0.312 365 G C 1.106 175.921 174.900 -0.143 0.000 1.230 365 G CA 0.515 45.504 45.100 -0.185 0.000 0.968 365 G HN 1.500 nan 8.290 nan 0.000 0.481 366 G N 1.109 109.822 108.800 -0.145 0.000 2.808 366 G HA2 -0.234 4.168 3.960 0.737 0.000 0.225 366 G HA3 -0.234 4.168 3.960 0.737 0.000 0.225 366 G C -0.735 174.251 174.900 0.143 0.000 1.210 366 G CA 1.329 46.410 45.100 -0.033 0.000 0.777 366 G HN 0.565 nan 8.290 nan 0.000 0.640 367 P HA 0.143 nan 4.420 nan 0.000 0.277 367 P C -0.158 177.188 177.300 0.077 0.000 1.617 367 P CA -0.029 63.109 63.100 0.064 0.000 0.829 367 P CB -0.643 31.078 31.700 0.035 0.000 1.774 368 N N -1.188 117.604 118.700 0.153 0.000 2.725 368 N HA -0.176 5.006 4.740 0.737 0.000 0.249 368 N C -0.238 175.349 175.510 0.128 0.000 1.103 368 N CA 0.697 53.765 53.050 0.029 0.000 0.707 368 N CB -1.473 36.835 38.487 -0.299 0.000 1.043 368 N HN 0.386 nan 8.380 nan 0.000 0.553 369 I N 0.770 121.385 120.570 0.075 0.000 2.416 369 I HA 0.246 4.858 4.170 0.737 0.000 0.288 369 I C 0.621 176.770 176.117 0.053 0.000 1.051 369 I CA -0.325 60.906 61.300 -0.116 0.000 1.375 369 I CB 1.543 39.253 38.000 -0.483 0.000 1.407 369 I HN -0.153 nan 8.210 nan 0.000 0.516 370 V N 8.546 128.520 119.914 0.100 0.000 2.612 370 V HA 0.522 5.084 4.120 0.737 0.000 0.301 370 V C -1.017 175.214 176.094 0.229 0.000 1.059 370 V CA -0.327 62.033 62.300 0.100 0.000 0.886 370 V CB 1.525 33.420 31.823 0.120 0.000 1.007 370 V HN 0.835 nan 8.190 nan 0.000 0.426 371 W N 5.606 127.038 121.300 0.220 0.000 2.655 371 W HA 0.886 5.762 4.660 0.360 0.000 0.358 371 W C -1.216 175.455 176.519 0.254 0.000 1.100 371 W CA -0.809 56.705 57.345 0.281 0.000 1.195 371 W CB 1.615 31.294 29.460 0.364 0.000 1.403 371 W HN 0.741 nan 8.180 nan 0.000 0.589 372 Q N 0.927 121.128 119.800 0.669 0.000 2.403 372 Q HA 0.540 5.322 4.340 0.737 0.000 0.267 372 Q C -1.937 174.373 176.000 0.516 0.000 0.991 372 Q CA -0.685 55.417 55.803 0.498 0.000 0.906 372 Q CB 2.060 30.945 28.738 0.245 0.000 1.422 372 Q HN 0.467 nan 8.270 nan 0.000 0.400 373 I N 2.180 123.055 120.570 0.509 0.000 2.362 373 I HA 0.439 5.052 4.170 0.737 0.000 0.289 373 I C -0.875 175.484 176.117 0.403 0.000 0.994 373 I CA -0.565 61.002 61.300 0.445 0.000 1.158 373 I CB 1.699 40.039 38.000 0.566 0.000 1.315 373 I HN 0.797 nan 8.210 nan 0.000 0.451 374 D N 9.073 129.633 120.400 0.267 0.000 2.464 374 D HA 0.345 5.427 4.640 0.737 0.000 0.243 374 D C -1.993 174.359 176.300 0.088 0.000 1.104 374 D CA -1.976 52.143 54.000 0.199 0.000 0.883 374 D CB 2.308 43.244 40.800 0.225 0.000 1.050 374 D HN 0.145 nan 8.370 nan 0.000 0.524 375 P HA -0.047 nan 4.420 nan 0.000 0.218 375 P C 1.266 178.543 177.300 -0.038 0.000 1.152 375 P CA 0.835 63.878 63.100 -0.095 0.000 0.826 375 P CB 0.498 32.030 31.700 -0.281 0.000 0.790 376 K N 0.112 120.511 120.400 -0.002 0.000 2.148 376 K HA -0.027 4.735 4.320 0.737 0.000 0.204 376 K C 1.813 178.435 176.600 0.037 0.000 1.050 376 K CA 1.317 57.614 56.287 0.016 0.000 0.942 376 K CB -0.488 32.030 32.500 0.030 0.000 0.724 376 K HN -0.041 nan 8.250 nan 0.000 0.446 377 A N -0.040 122.813 122.820 0.055 0.000 2.218 377 A HA 0.218 4.980 4.320 0.737 0.000 0.209 377 A C 1.320 178.915 177.584 0.019 0.000 1.168 377 A CA 0.672 52.738 52.037 0.048 0.000 0.804 377 A CB -0.369 18.663 19.000 0.054 0.000 0.834 377 A HN 0.510 nan 8.150 nan 0.000 0.482 378 G N -1.255 107.550 108.800 0.008 0.000 2.179 378 G HA2 -0.226 4.176 3.960 0.737 0.000 0.257 378 G HA3 -0.226 4.176 3.960 0.737 0.000 0.257 378 G C -0.035 174.821 174.900 -0.074 0.000 1.010 378 G CA 0.786 45.888 45.100 0.003 0.000 0.736 378 G HN 0.503 nan 8.290 nan 0.000 0.513 379 L N -0.947 120.208 121.223 -0.113 0.000 2.309 379 L HA 0.836 5.618 4.340 0.737 0.000 0.261 379 L C 0.460 177.330 176.870 -0.000 0.000 1.021 379 L CA -0.833 53.895 54.840 -0.186 0.000 0.823 379 L CB 2.590 44.391 42.059 -0.431 0.000 1.366 379 L HN 0.657 nan 8.230 nan 0.000 0.423 380 C N -0.529 118.796 119.300 0.042 0.000 2.752 380 C HA 0.842 5.744 4.460 0.737 0.000 0.360 380 C C -0.219 174.894 174.990 0.205 0.000 1.081 380 C CA -0.464 58.659 59.018 0.176 0.000 1.272 380 C CB 0.607 28.468 27.740 0.202 0.000 1.754 380 C HN 0.899 nan 8.230 nan 0.000 0.483 381 T N 1.321 116.063 114.554 0.313 0.000 2.907 381 T HA 0.799 5.591 4.350 0.737 0.000 0.292 381 T C -1.115 173.888 174.700 0.504 0.000 1.043 381 T CA -0.599 61.741 62.100 0.401 0.000 1.003 381 T CB 1.755 70.863 68.868 0.401 0.000 1.084 381 T HN 1.762 nan 8.240 nan 0.000 0.483 382 L N 2.003 123.549 121.223 0.538 0.000 2.491 382 L HA 0.796 5.578 4.340 0.737 0.000 0.267 382 L C -0.650 176.433 176.870 0.355 0.000 0.971 382 L CA -0.512 54.617 54.840 0.483 0.000 0.857 382 L CB 1.278 43.613 42.059 0.459 0.000 1.226 382 L HN 1.106 nan 8.230 nan 0.000 0.408 383 A N 4.405 127.409 122.820 0.306 0.000 2.274 383 A HA 0.706 5.468 4.320 0.737 0.000 0.309 383 A C -1.316 176.364 177.584 0.160 0.000 1.226 383 A CA -0.209 51.896 52.037 0.113 0.000 0.853 383 A CB 0.262 19.402 19.000 0.234 0.000 1.146 383 A HN 0.610 nan 8.150 nan 0.000 0.518 384 F N 2.907 122.779 119.950 -0.130 0.000 2.496 384 F HA 0.681 5.667 4.527 0.765 0.000 0.341 384 F C -1.125 174.526 175.800 -0.247 0.000 1.134 384 F CA -0.837 57.115 58.000 -0.081 0.000 0.968 384 F CB 0.976 39.932 39.000 -0.072 0.000 1.205 384 F HN 0.524 nan 8.300 nan 0.000 0.436 385 F N 2.602 122.607 119.950 0.091 0.000 2.594 385 F HA 0.513 5.474 4.527 0.724 0.000 0.335 385 F C 0.284 176.149 175.800 0.109 0.000 1.058 385 F CA -0.662 57.412 58.000 0.122 0.000 0.981 385 F CB 1.546 40.566 39.000 0.032 0.000 1.289 385 F HN 0.149 nan 8.300 nan 0.000 0.490 386 Q N 2.218 122.220 119.800 0.336 0.000 2.506 386 Q HA 0.300 5.082 4.340 0.737 0.000 0.380 386 Q C -1.568 174.527 176.000 0.159 0.000 0.867 386 Q CA -0.238 55.696 55.803 0.219 0.000 1.093 386 Q CB 1.475 30.345 28.738 0.221 0.000 1.388 386 Q HN 0.477 nan 8.270 nan 0.000 0.400 387 L N -0.144 121.153 121.223 0.124 0.000 2.385 387 L HA 0.543 5.325 4.340 0.737 0.000 0.273 387 L C -0.710 176.137 176.870 -0.039 0.000 0.990 387 L CA -0.114 54.742 54.840 0.028 0.000 0.821 387 L CB 1.687 43.739 42.059 -0.013 0.000 1.279 387 L HN -0.077 nan 8.230 nan 0.000 0.412 388 E N 5.448 125.601 120.200 -0.079 0.000 2.212 388 E HA 0.552 5.344 4.350 0.737 0.000 0.270 388 E C -2.626 173.716 176.600 -0.430 0.000 0.956 388 E CA -1.722 54.598 56.400 -0.133 0.000 0.825 388 E CB 1.921 31.634 29.700 0.023 0.000 1.167 388 E HN 0.461 nan 8.360 nan 0.000 0.400 389 P HA 0.073 nan 4.420 nan 0.000 0.281 389 P C 0.040 177.305 177.300 -0.059 0.000 1.281 389 P CA -0.662 62.370 63.100 -0.114 0.000 0.811 389 P CB 0.944 32.607 31.700 -0.061 0.000 1.154 390 W N 1.870 123.080 121.300 -0.151 0.000 2.253 390 W HA -0.112 5.012 4.660 0.773 0.000 0.348 390 W C 0.290 176.700 176.519 -0.182 0.000 1.267 390 W CA 0.983 58.224 57.345 -0.173 0.000 1.298 390 W CB -0.528 28.829 29.460 -0.172 0.000 1.181 390 W HN 0.671 nan 8.180 nan 0.000 0.585 391 N N 2.811 120.690 118.700 -1.369 0.000 2.708 391 N HA -0.245 4.937 4.740 0.737 0.000 0.255 391 N C -1.012 174.160 175.510 -0.563 0.000 1.046 391 N CA 1.194 53.600 53.050 -1.074 0.000 0.715 391 N CB -1.114 36.886 38.487 -0.812 0.000 0.895 391 N HN 0.448 nan 8.380 nan 0.000 0.545 392 D N -0.043 120.039 120.400 -0.529 0.000 2.256 392 D HA 0.248 5.330 4.640 0.737 0.000 0.250 392 D C -1.315 174.770 176.300 -0.358 0.000 1.093 392 D CA -1.944 51.823 54.000 -0.388 0.000 0.882 392 D CB 1.253 41.817 40.800 -0.394 0.000 1.185 392 D HN 0.129 nan 8.370 nan 0.000 0.437 393 P HA -0.161 nan 4.420 nan 0.000 0.215 393 P C 1.542 178.699 177.300 -0.239 0.000 1.157 393 P CA 1.307 64.270 63.100 -0.228 0.000 0.868 393 P CB 0.072 31.667 31.700 -0.176 0.000 0.788 394 V N -3.251 116.511 119.914 -0.253 0.000 2.453 394 V HA -0.197 4.365 4.120 0.737 0.000 0.247 394 V C 2.158 178.050 176.094 -0.337 0.000 1.048 394 V CA 1.778 63.923 62.300 -0.258 0.000 1.049 394 V CB -1.855 29.832 31.823 -0.227 0.000 0.672 394 V HN 0.096 nan 8.190 nan 0.000 0.457 395 C N 0.238 119.258 119.300 -0.467 0.000 2.432 395 C HA -0.053 4.849 4.460 0.737 0.000 0.277 395 C C 2.947 177.691 174.990 -0.409 0.000 1.249 395 C CA 1.663 60.259 59.018 -0.703 0.000 1.725 395 C CB -1.269 25.829 27.740 -1.071 0.000 2.028 395 C HN 0.666 nan 8.230 nan 0.000 0.477 396 R N 0.986 121.271 120.500 -0.357 0.000 2.091 396 R HA -0.190 4.592 4.340 0.737 0.000 0.238 396 R C 1.803 178.019 176.300 -0.139 0.000 1.136 396 R CA 2.350 58.309 56.100 -0.236 0.000 0.959 396 R CB -0.541 29.602 30.300 -0.262 0.000 0.856 396 R HN 0.556 nan 8.270 nan 0.000 0.437 397 D N -0.471 119.824 120.400 -0.174 0.000 2.144 397 D HA -0.133 4.949 4.640 0.737 0.000 0.200 397 D C 1.693 177.915 176.300 -0.130 0.000 0.978 397 D CA 0.867 54.777 54.000 -0.150 0.000 0.833 397 D CB 0.134 40.832 40.800 -0.170 0.000 0.961 397 D HN 0.134 nan 8.370 nan 0.000 0.470 398 L N 0.095 121.213 121.223 -0.175 0.000 2.072 398 L HA -0.027 4.755 4.340 0.737 0.000 0.205 398 L C 2.523 179.492 176.870 0.164 0.000 1.079 398 L CA 1.364 56.075 54.840 -0.215 0.000 0.752 398 L CB -1.055 40.612 42.059 -0.653 0.000 0.906 398 L HN 0.063 nan 8.230 nan 0.000 0.436 399 T N -1.013 113.675 114.554 0.224 0.000 2.674 399 T HA -0.172 4.620 4.350 0.737 0.000 0.265 399 T C 2.080 177.003 174.700 0.372 0.000 1.039 399 T CA 0.941 63.292 62.100 0.418 0.000 1.150 399 T CB -0.137 68.916 68.868 0.309 0.000 0.864 399 T HN 0.164 nan 8.240 nan 0.000 0.427 400 R N 0.927 121.536 120.500 0.182 0.000 2.136 400 R HA -0.154 4.628 4.340 0.737 0.000 0.242 400 R C 2.867 179.210 176.300 0.072 0.000 1.131 400 R CA 2.231 58.382 56.100 0.085 0.000 0.937 400 R CB -1.328 28.939 30.300 -0.055 0.000 0.863 400 R HN 0.624 nan 8.270 nan 0.000 0.435 401 T N -1.817 112.759 114.554 0.037 0.000 3.085 401 T HA -0.068 4.724 4.350 0.737 0.000 0.263 401 T C 1.646 176.472 174.700 0.209 0.000 1.127 401 T CA 0.513 62.619 62.100 0.011 0.000 1.103 401 T CB -0.293 68.551 68.868 -0.040 0.000 0.921 401 T HN 0.216 nan 8.240 nan 0.000 0.510 402 F N 2.723 122.805 119.950 0.219 0.000 2.060 402 F HA 0.078 5.045 4.527 0.732 0.000 0.295 402 F C 2.192 178.100 175.800 0.180 0.000 1.120 402 F CA 1.371 59.531 58.000 0.266 0.000 1.205 402 F CB -0.456 38.777 39.000 0.388 0.000 0.986 402 F HN 0.136 nan 8.300 nan 0.000 0.470 403 E N -0.577 119.550 120.200 -0.122 0.000 2.031 403 E HA -0.272 4.520 4.350 0.737 0.000 0.193 403 E C 2.044 178.522 176.600 -0.204 0.000 0.994 403 E CA 1.809 58.077 56.400 -0.219 0.000 0.800 403 E CB -0.684 29.119 29.700 0.172 0.000 0.752 403 E HN 0.569 nan 8.360 nan 0.000 0.447 404 H N 0.562 119.368 119.070 -0.440 0.000 2.330 404 H HA -0.218 4.779 4.556 0.736 0.000 0.290 404 H C 2.003 177.242 175.328 -0.148 0.000 1.111 404 H CA 2.106 57.907 56.048 -0.410 0.000 1.226 404 H CB -0.238 29.265 29.762 -0.432 0.000 1.355 404 H HN 0.259 nan 8.280 nan 0.000 0.485 405 A N 0.396 123.217 122.820 0.001 0.000 1.840 405 A HA -0.094 4.668 4.320 0.737 0.000 0.214 405 A C 2.242 179.793 177.584 -0.055 0.000 1.198 405 A CA 1.692 53.724 52.037 -0.008 0.000 0.608 405 A CB -0.590 18.420 19.000 0.016 0.000 0.839 405 A HN 0.422 nan 8.150 nan 0.000 0.443 406 I N -3.118 117.348 120.570 -0.174 0.000 2.493 406 I HA -0.142 4.470 4.170 0.737 0.000 0.254 406 I C 2.126 178.220 176.117 -0.038 0.000 1.160 406 I CA 1.011 62.184 61.300 -0.211 0.000 1.445 406 I CB -1.411 36.330 38.000 -0.432 0.000 1.086 406 I HN 0.270 nan 8.210 nan 0.000 0.433 407 Y N 1.560 121.796 120.300 -0.106 0.000 2.181 407 Y HA -0.116 4.874 4.550 0.733 0.000 0.288 407 Y C 2.718 178.656 175.900 0.064 0.000 1.146 407 Y CA 1.786 59.897 58.100 0.018 0.000 1.164 407 Y CB -0.662 37.819 38.460 0.035 0.000 0.982 407 Y HN 0.255 nan 8.280 nan 0.000 0.515 408 A N -0.564 122.350 122.820 0.157 0.000 1.843 408 A HA -0.191 4.571 4.320 0.737 0.000 0.213 408 A C 2.204 179.824 177.584 0.060 0.000 1.202 408 A CA 1.457 53.552 52.037 0.097 0.000 0.607 408 A CB -0.921 18.118 19.000 0.065 0.000 0.847 408 A HN 0.450 nan 8.150 nan 0.000 0.445 409 Q N -1.456 118.369 119.800 0.043 0.000 2.045 409 Q HA -0.272 4.510 4.340 0.737 0.000 0.206 409 Q C 1.982 178.006 176.000 0.041 0.000 0.991 409 Q CA 2.513 58.333 55.803 0.027 0.000 0.851 409 Q CB -0.452 28.292 28.738 0.010 0.000 0.911 409 Q HN 0.718 nan 8.270 nan 0.000 0.418 410 Y N 1.649 121.908 120.300 -0.069 0.000 2.036 410 Y HA -0.301 4.694 4.550 0.741 0.000 0.273 410 Y C 2.471 178.336 175.900 -0.057 0.000 1.135 410 Y CA 2.700 60.754 58.100 -0.076 0.000 1.106 410 Y CB -0.658 37.726 38.460 -0.126 0.000 0.976 410 Y HN 0.337 nan 8.280 nan 0.000 0.483 411 Q N -0.390 119.345 119.800 -0.108 0.000 2.435 411 Q HA -0.119 4.663 4.340 0.737 0.000 0.207 411 Q C 0.739 176.642 176.000 -0.162 0.000 0.956 411 Q CA 1.445 57.100 55.803 -0.247 0.000 0.917 411 Q CB -0.089 28.658 28.738 0.016 0.000 0.997 411 Q HN 0.674 nan 8.270 nan 0.000 0.497 412 Q N -0.045 119.698 119.800 -0.094 0.000 2.112 412 Q HA 0.373 5.155 4.340 0.737 0.000 0.222 412 Q C -0.245 175.721 176.000 -0.057 0.000 0.798 412 Q CA -0.017 55.751 55.803 -0.058 0.000 1.060 412 Q CB 2.014 30.745 28.738 -0.011 0.000 1.184 412 Q HN 0.374 nan 8.270 nan 0.000 0.475 413 G N 0.000 108.750 108.800 -0.083 0.000 5.446 413 G HA2 0.000 4.402 3.960 0.737 0.000 0.244 413 G HA3 0.000 4.402 3.960 0.737 0.000 0.244 413 G CA 0.000 45.067 45.100 -0.055 0.000 0.502 413 G HN 0.000 nan 8.290 nan 0.000 0.925