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 1j51_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPWIP REAGEAFDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLLGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENAAPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.492 175.510 -0.030 0.000 1.280 10 N CA 0.000 53.033 53.050 -0.027 0.000 0.885 10 N CB 0.000 38.469 38.487 -0.029 0.000 1.341 11 L N 2.193 123.400 121.223 -0.026 0.000 2.272 11 L HA 0.774 5.111 4.340 -0.004 0.000 0.289 11 L C 0.540 177.415 176.870 0.007 0.000 1.032 11 L CA -1.052 53.776 54.840 -0.019 0.000 0.810 11 L CB 0.330 42.375 42.059 -0.024 0.000 1.205 11 L HN 0.688 nan 8.230 nan 0.000 0.422 12 A N 6.890 129.727 122.820 0.029 0.000 2.388 12 A HA 0.619 4.937 4.320 -0.004 0.000 0.257 12 A C -2.041 175.584 177.584 0.067 0.000 1.095 12 A CA -0.984 51.088 52.037 0.058 0.000 0.791 12 A CB -0.415 18.642 19.000 0.094 0.000 1.029 12 A HN 0.581 nan 8.150 nan 0.000 0.489 13 P HA 0.032 nan 4.420 nan 0.000 0.265 13 P C -0.360 176.945 177.300 0.008 0.000 1.193 13 P CA -0.200 62.912 63.100 0.019 0.000 0.765 13 P CB 0.403 32.108 31.700 0.009 0.000 0.823 14 L N 6.705 127.903 121.223 -0.042 0.000 2.597 14 L HA 0.149 4.487 4.340 -0.004 0.000 0.271 14 L C -2.019 174.700 176.870 -0.252 0.000 1.157 14 L CA -1.271 53.467 54.840 -0.169 0.000 0.928 14 L CB -1.005 40.940 42.059 -0.189 0.000 1.216 14 L HN 0.292 nan 8.230 nan 0.000 0.481 15 P HA 0.030 nan 4.420 nan 0.000 0.265 15 P C -2.065 175.053 177.300 -0.303 0.000 1.187 15 P CA -0.714 62.194 63.100 -0.319 0.000 0.766 15 P CB 0.140 31.540 31.700 -0.500 0.000 0.820 16 P HA -0.218 nan 4.420 nan 0.000 0.216 16 P C 1.207 178.469 177.300 -0.064 0.000 1.150 16 P CA 1.490 64.553 63.100 -0.062 0.000 0.843 16 P CB -0.403 31.303 31.700 0.010 0.000 0.787 17 H N -1.896 117.105 119.070 -0.115 0.000 2.555 17 H HA 0.090 4.643 4.556 -0.005 0.000 0.269 17 H C -0.005 175.281 175.328 -0.070 0.000 0.988 17 H CA 0.332 56.343 56.048 -0.063 0.000 1.178 17 H CB -0.815 28.941 29.762 -0.011 0.000 1.373 17 H HN -0.064 nan 8.280 nan 0.000 0.588 18 V N 3.599 123.088 119.914 -0.709 0.000 2.406 18 V HA 0.218 4.336 4.120 -0.004 0.000 0.272 18 V C -2.154 173.737 176.094 -0.339 0.000 1.043 18 V CA -1.824 60.100 62.300 -0.627 0.000 0.915 18 V CB 1.245 32.293 31.823 -1.292 0.000 0.988 18 V HN 0.128 nan 8.190 nan 0.000 0.466 19 P HA 0.104 nan 4.420 nan 0.000 0.263 19 P C 0.472 177.638 177.300 -0.222 0.000 1.195 19 P CA 0.100 63.087 63.100 -0.188 0.000 0.762 19 P CB 0.721 32.218 31.700 -0.338 0.000 0.799 20 E N 1.760 121.902 120.200 -0.096 0.000 2.118 20 E HA -0.237 4.111 4.350 -0.004 0.000 0.195 20 E C 1.693 178.294 176.600 0.002 0.000 0.992 20 E CA 1.420 57.795 56.400 -0.043 0.000 0.804 20 E CB -0.622 29.086 29.700 0.015 0.000 0.741 20 E HN 0.630 nan 8.360 nan 0.000 0.458 21 H N -0.460 118.629 119.070 0.031 0.000 2.546 21 H HA 0.034 4.588 4.556 -0.002 0.000 0.277 21 H C 1.333 176.712 175.328 0.086 0.000 1.004 21 H CA 0.682 56.761 56.048 0.051 0.000 1.231 21 H CB -0.135 29.651 29.762 0.040 0.000 1.382 21 H HN 0.202 nan 8.280 nan 0.000 0.580 22 L N 1.409 122.498 121.223 -0.223 0.000 2.667 22 L HA 0.202 4.540 4.340 -0.004 0.000 0.232 22 L C 0.170 177.111 176.870 0.118 0.000 1.138 22 L CA -0.282 54.539 54.840 -0.031 0.000 0.921 22 L CB 0.822 42.858 42.059 -0.040 0.000 1.180 22 L HN -0.020 nan 8.230 nan 0.000 0.487 23 V N 0.805 120.777 119.914 0.097 0.000 2.555 23 V HA 0.054 4.171 4.120 -0.004 0.000 0.286 23 V C -0.602 175.609 176.094 0.195 0.000 1.044 23 V CA 0.256 62.643 62.300 0.145 0.000 1.026 23 V CB 1.080 32.951 31.823 0.080 0.000 0.981 23 V HN 0.115 nan 8.190 nan 0.000 0.480 24 F N 4.009 123.970 119.950 0.018 0.000 3.034 24 F HA 0.384 4.908 4.527 -0.005 0.000 0.371 24 F C 0.163 175.946 175.800 -0.029 0.000 1.233 24 F CA -0.824 57.177 58.000 0.002 0.000 1.134 24 F CB 1.203 40.205 39.000 0.003 0.000 1.495 24 F HN 0.515 nan 8.300 nan 0.000 0.563 25 D N 6.082 126.317 120.400 -0.275 0.000 2.745 25 D HA -0.038 4.600 4.640 -0.004 0.000 0.229 25 D C -0.082 176.081 176.300 -0.228 0.000 1.088 25 D CA 0.495 54.358 54.000 -0.227 0.000 1.054 25 D CB -0.379 40.294 40.800 -0.211 0.000 1.132 25 D HN 0.293 nan 8.370 nan 0.000 0.464 26 F N 1.742 121.547 119.950 -0.241 0.000 2.443 26 F HA 0.099 4.623 4.527 -0.004 0.000 0.353 26 F C 0.493 176.148 175.800 -0.242 0.000 1.101 26 F CA -0.607 57.274 58.000 -0.198 0.000 1.226 26 F CB 0.847 39.822 39.000 -0.042 0.000 1.140 26 F HN -0.134 nan 8.300 nan 0.000 0.557 27 D N 7.407 127.271 120.400 -0.893 0.000 2.454 27 D HA 0.096 4.733 4.640 -0.004 0.000 0.225 27 D C 0.928 176.704 176.300 -0.874 0.000 1.081 27 D CA -0.489 53.146 54.000 -0.608 0.000 0.864 27 D CB 0.912 41.479 40.800 -0.388 0.000 1.040 27 D HN 0.770 nan 8.370 nan 0.000 0.517 28 M N 1.997 121.275 119.600 -0.536 0.000 2.446 28 M HA -0.110 4.367 4.480 -0.004 0.000 0.263 28 M C 0.178 176.273 176.300 -0.342 0.000 1.066 28 M CA 1.272 56.317 55.300 -0.425 0.000 1.087 28 M CB -0.237 32.261 32.600 -0.170 0.000 1.406 28 M HN 0.240 nan 8.290 nan 0.000 0.459 29 Y N 0.072 120.319 120.300 -0.088 0.000 2.449 29 Y HA 0.254 4.801 4.550 -0.004 0.000 0.254 29 Y C 0.469 176.338 175.900 -0.050 0.000 1.140 29 Y CA -0.368 57.722 58.100 -0.017 0.000 1.272 29 Y CB 0.512 38.967 38.460 -0.009 0.000 1.114 29 Y HN 0.447 nan 8.280 nan 0.000 0.525 30 N N 0.376 119.050 118.700 -0.044 0.000 2.679 30 N HA 0.126 4.864 4.740 -0.004 0.000 0.240 30 N C -3.275 172.099 175.510 -0.227 0.000 1.537 30 N CA -1.524 51.483 53.050 -0.073 0.000 0.793 30 N CB 0.689 39.154 38.487 -0.037 0.000 1.391 30 N HN -0.221 nan 8.380 nan 0.000 0.524 31 P HA 0.084 nan 4.420 nan 0.000 0.268 31 P C 0.729 177.896 177.300 -0.222 0.000 1.205 31 P CA 0.002 62.805 63.100 -0.494 0.000 0.771 31 P CB 1.387 32.758 31.700 -0.549 0.000 0.858 32 S N 2.322 117.895 115.700 -0.212 0.000 2.401 32 S HA -0.239 4.229 4.470 -0.004 0.000 0.236 32 S C 1.526 176.107 174.600 -0.033 0.000 1.058 32 S CA 2.103 60.243 58.200 -0.100 0.000 1.151 32 S CB -0.817 62.340 63.200 -0.071 0.000 1.049 32 S HN 0.634 nan 8.310 nan 0.000 0.432 33 N N 1.159 119.865 118.700 0.010 0.000 2.421 33 N HA 0.100 4.837 4.740 -0.004 0.000 0.201 33 N C 1.037 176.585 175.510 0.063 0.000 1.198 33 N CA -0.111 52.966 53.050 0.045 0.000 0.838 33 N CB -0.381 38.154 38.487 0.079 0.000 1.011 33 N HN 0.187 nan 8.380 nan 0.000 0.463 34 L N 0.727 121.982 121.223 0.053 0.000 2.064 34 L HA -0.246 4.091 4.340 -0.004 0.000 0.216 34 L C 2.128 179.039 176.870 0.067 0.000 1.077 34 L CA 2.085 56.980 54.840 0.091 0.000 0.766 34 L CB -1.273 40.832 42.059 0.076 0.000 0.890 34 L HN 0.361 nan 8.230 nan 0.000 0.435 35 S N -1.373 114.346 115.700 0.031 0.000 2.500 35 S HA -0.031 4.436 4.470 -0.004 0.000 0.239 35 S C 1.843 176.438 174.600 -0.008 0.000 0.989 35 S CA 0.653 58.853 58.200 0.000 0.000 0.951 35 S CB -0.692 62.510 63.200 0.002 0.000 0.759 35 S HN 0.505 nan 8.310 nan 0.000 0.523 36 A N 0.848 123.684 122.820 0.026 0.000 2.178 36 A HA 0.607 4.924 4.320 -0.004 0.000 0.211 36 A C 1.184 178.801 177.584 0.055 0.000 1.157 36 A CA 0.329 52.389 52.037 0.039 0.000 0.780 36 A CB -0.561 18.475 19.000 0.059 0.000 0.828 36 A HN 1.581 nan 8.150 nan 0.000 0.476 37 G N -1.761 107.076 108.800 0.063 0.000 2.627 37 G HA2 0.154 4.112 3.960 -0.004 0.000 0.680 37 G HA3 0.154 4.112 3.960 -0.004 0.000 0.680 37 G C 0.370 175.499 174.900 0.380 0.000 1.341 37 G CA -0.222 44.986 45.100 0.181 0.000 0.835 37 G HN 0.963 nan 8.290 nan 0.000 0.643 38 V N 0.110 120.419 119.914 0.658 0.000 2.287 38 V HA -0.227 3.890 4.120 -0.004 0.000 0.248 38 V C 2.723 179.051 176.094 0.389 0.000 1.053 38 V CA 2.754 65.342 62.300 0.480 0.000 1.027 38 V CB -1.110 30.949 31.823 0.393 0.000 0.646 38 V HN 0.742 nan 8.190 nan 0.000 0.447 39 Q N 0.630 120.533 119.800 0.173 0.000 2.084 39 Q HA -0.187 4.151 4.340 -0.004 0.000 0.202 39 Q C 2.212 178.298 176.000 0.145 0.000 0.978 39 Q CA 2.089 57.925 55.803 0.055 0.000 0.844 39 Q CB -0.487 28.166 28.738 -0.142 0.000 0.898 39 Q HN 0.745 nan 8.270 nan 0.000 0.426 40 E N 0.084 120.373 120.200 0.148 0.000 2.204 40 E HA -0.088 4.260 4.350 -0.004 0.000 0.194 40 E C 1.736 178.441 176.600 0.176 0.000 0.989 40 E CA 1.022 57.498 56.400 0.126 0.000 0.824 40 E CB -0.272 29.490 29.700 0.104 0.000 0.756 40 E HN 0.407 nan 8.360 nan 0.000 0.477 41 A N -0.112 122.858 122.820 0.250 0.000 1.898 41 A HA -0.141 4.176 4.320 -0.004 0.000 0.216 41 A C 1.646 179.415 177.584 0.307 0.000 1.181 41 A CA 1.078 53.265 52.037 0.249 0.000 0.620 41 A CB -0.838 18.311 19.000 0.249 0.000 0.819 41 A HN 0.336 nan 8.150 nan 0.000 0.442 42 W N -0.328 121.089 121.300 0.194 0.000 2.418 42 W HA 0.138 4.796 4.660 -0.004 0.000 0.292 42 W C 2.632 179.118 176.519 -0.055 0.000 1.213 42 W CA 0.994 58.395 57.345 0.093 0.000 1.283 42 W CB -0.415 29.046 29.460 0.003 0.000 1.119 42 W HN 0.344 nan 8.180 nan 0.000 0.542 43 A N 0.552 123.487 122.820 0.190 0.000 2.186 43 A HA -0.141 4.177 4.320 -0.004 0.000 0.219 43 A C 1.999 179.591 177.584 0.015 0.000 1.159 43 A CA 1.901 53.973 52.037 0.059 0.000 0.680 43 A CB -1.258 17.764 19.000 0.037 0.000 0.787 43 A HN 0.280 nan 8.150 nan 0.000 0.467 44 V N -2.418 117.531 119.914 0.058 0.000 2.594 44 V HA -0.186 3.932 4.120 -0.004 0.000 0.253 44 V C 2.012 178.058 176.094 -0.081 0.000 1.069 44 V CA 1.923 64.258 62.300 0.059 0.000 1.082 44 V CB -0.929 31.007 31.823 0.188 0.000 0.680 44 V HN 0.443 nan 8.190 nan 0.000 0.469 45 L N -0.406 120.695 121.223 -0.204 0.000 2.456 45 L HA -0.029 4.309 4.340 -0.004 0.000 0.224 45 L C 2.516 179.188 176.870 -0.331 0.000 1.148 45 L CA 1.259 55.824 54.840 -0.458 0.000 0.825 45 L CB -0.392 41.366 42.059 -0.501 0.000 0.937 45 L HN 0.410 nan 8.230 nan 0.000 0.450 46 Q N -0.733 118.954 119.800 -0.189 0.000 2.198 46 Q HA 0.106 4.444 4.340 -0.004 0.000 0.209 46 Q C 0.102 176.037 176.000 -0.108 0.000 0.848 46 Q CA -0.210 55.508 55.803 -0.141 0.000 0.974 46 Q CB 0.582 29.262 28.738 -0.097 0.000 1.115 46 Q HN 0.466 nan 8.270 nan 0.000 0.494 47 E N -0.213 119.923 120.200 -0.107 0.000 2.435 47 E HA 0.008 4.356 4.350 -0.004 0.000 0.256 47 E C 0.790 177.354 176.600 -0.060 0.000 1.245 47 E CA -0.073 56.292 56.400 -0.059 0.000 0.989 47 E CB 0.552 30.239 29.700 -0.022 0.000 0.983 47 E HN 0.028 nan 8.360 nan 0.000 0.480 48 S N 0.529 116.210 115.700 -0.031 0.000 2.392 48 S HA -0.215 4.252 4.470 -0.004 0.000 0.232 48 S C 0.797 175.382 174.600 -0.025 0.000 1.041 48 S CA 1.781 59.966 58.200 -0.025 0.000 1.026 48 S CB -0.254 62.939 63.200 -0.011 0.000 0.845 48 S HN 0.422 nan 8.310 nan 0.000 0.465 49 N N -0.040 118.649 118.700 -0.019 0.000 2.351 49 N HA 0.243 4.981 4.740 -0.004 0.000 0.254 49 N C -1.296 174.201 175.510 -0.023 0.000 1.241 49 N CA -0.138 52.907 53.050 -0.009 0.000 0.883 49 N CB 1.290 39.787 38.487 0.017 0.000 1.202 49 N HN 0.029 nan 8.380 nan 0.000 0.512 50 V N 1.993 121.855 119.914 -0.086 0.000 2.439 50 V HA 0.370 4.488 4.120 -0.004 0.000 0.282 50 V C -1.803 174.214 176.094 -0.127 0.000 1.039 50 V CA -1.669 60.529 62.300 -0.169 0.000 0.913 50 V CB 1.208 32.799 31.823 -0.387 0.000 0.983 50 V HN 0.054 nan 8.190 nan 0.000 0.460 51 P HA 0.165 nan 4.420 nan 0.000 0.271 51 P C 0.263 177.512 177.300 -0.086 0.000 1.244 51 P CA -0.292 62.780 63.100 -0.046 0.000 0.793 51 P CB 0.643 32.353 31.700 0.017 0.000 0.984 52 D N -0.819 119.534 120.400 -0.079 0.000 2.178 52 D HA -0.002 4.636 4.640 -0.004 0.000 0.202 52 D C 0.249 176.487 176.300 -0.103 0.000 0.974 52 D CA 1.324 55.252 54.000 -0.119 0.000 0.841 52 D CB -0.108 40.596 40.800 -0.161 0.000 0.953 52 D HN 0.039 nan 8.370 nan 0.000 0.478 53 L N 0.442 121.639 121.223 -0.043 0.000 2.438 53 L HA 0.387 4.725 4.340 -0.004 0.000 0.270 53 L C -0.877 176.089 176.870 0.159 0.000 0.972 53 L CA -0.995 53.871 54.840 0.044 0.000 0.831 53 L CB 1.876 43.935 42.059 0.001 0.000 1.273 53 L HN -0.145 nan 8.230 nan 0.000 0.405 54 V N 1.395 121.447 119.914 0.230 0.000 3.126 54 V HA 0.688 4.805 4.120 -0.004 0.000 0.314 54 V C -1.384 174.950 176.094 0.401 0.000 1.138 54 V CA -0.769 61.695 62.300 0.273 0.000 1.034 54 V CB 2.137 34.038 31.823 0.131 0.000 1.075 54 V HN 0.941 nan 8.190 nan 0.000 0.442 55 W N 1.910 123.228 121.300 0.030 0.000 2.532 55 W HA 0.638 5.296 4.660 -0.002 0.000 0.321 55 W C -1.014 175.372 176.519 -0.222 0.000 1.037 55 W CA -0.268 56.908 57.345 -0.280 0.000 1.220 55 W CB 1.932 31.025 29.460 -0.611 0.000 1.361 55 W HN 0.851 nan 8.180 nan 0.000 0.468 56 T N 5.503 119.566 114.554 -0.818 0.000 2.794 56 T HA 0.359 4.706 4.350 -0.004 0.000 0.280 56 T C 0.981 175.180 174.700 -0.836 0.000 0.987 56 T CA -0.384 61.349 62.100 -0.612 0.000 0.993 56 T CB 1.031 69.583 68.868 -0.527 0.000 0.939 56 T HN 0.622 nan 8.240 nan 0.000 0.449 57 R N 2.219 122.523 120.500 -0.326 0.000 2.313 57 R HA 0.179 4.516 4.340 -0.004 0.000 0.199 57 R C 0.577 176.779 176.300 -0.164 0.000 0.958 57 R CA -0.184 55.832 56.100 -0.140 0.000 1.047 57 R CB -0.287 30.036 30.300 0.038 0.000 0.955 57 R HN 0.556 nan 8.270 nan 0.000 0.481 58 C N 1.091 120.254 119.300 -0.229 0.000 2.649 58 C HA 0.107 4.564 4.460 -0.004 0.000 0.377 58 C C 0.950 175.896 174.990 -0.073 0.000 1.321 58 C CA -0.410 58.526 59.018 -0.136 0.000 2.368 58 C CB 0.065 27.718 27.740 -0.144 0.000 2.597 58 C HN 0.684 nan 8.230 nan 0.000 0.678 59 N N 0.388 119.095 118.700 0.011 0.000 2.721 59 N HA -0.164 4.574 4.740 -0.004 0.000 0.249 59 N C 0.727 176.281 175.510 0.073 0.000 1.072 59 N CA 0.813 53.913 53.050 0.083 0.000 0.710 59 N CB -1.152 37.440 38.487 0.175 0.000 0.993 59 N HN 1.374 nan 8.380 nan 0.000 0.547 60 G N -1.766 107.056 108.800 0.035 0.000 2.176 60 G HA2 0.080 4.038 3.960 -0.004 0.000 0.253 60 G HA3 0.080 4.038 3.960 -0.004 0.000 0.253 60 G C 0.533 175.458 174.900 0.041 0.000 0.979 60 G CA 0.314 45.446 45.100 0.052 0.000 0.641 60 G HN 1.591 nan 8.290 nan 0.000 0.530 61 G N -0.762 107.975 108.800 -0.104 0.000 3.172 61 G HA2 0.546 4.504 3.960 -0.004 0.000 0.686 61 G HA3 0.546 4.504 3.960 -0.004 0.000 0.686 61 G C -0.470 173.899 174.900 -0.886 0.000 1.009 61 G CA 0.664 45.508 45.100 -0.427 0.000 0.787 61 G HN 2.927 nan 8.290 nan 0.000 0.559 62 H N -1.648 116.232 119.070 -1.984 0.000 3.005 62 H HA 0.608 5.162 4.556 -0.004 0.000 0.311 62 H C -0.510 174.117 175.328 -1.168 0.000 1.366 62 H CA -1.561 53.621 56.048 -1.443 0.000 1.210 62 H CB -0.043 29.422 29.762 -0.496 0.000 1.894 62 H HN 0.684 nan 8.280 nan 0.000 0.520 63 W N 0.927 122.181 121.300 -0.077 0.000 2.129 63 W HA 0.617 5.273 4.660 -0.006 0.000 0.349 63 W C -0.164 176.425 176.519 0.118 0.000 1.279 63 W CA -0.495 56.923 57.345 0.121 0.000 1.306 63 W CB 0.717 30.334 29.460 0.262 0.000 1.140 63 W HN 0.460 nan 8.180 nan 0.000 0.613 64 I N 1.993 122.772 120.570 0.347 0.000 2.586 64 I HA 0.321 4.489 4.170 -0.004 0.000 0.288 64 I C -0.578 175.599 176.117 0.100 0.000 1.147 64 I CA -1.130 60.273 61.300 0.171 0.000 1.047 64 I CB 1.478 39.504 38.000 0.044 0.000 1.244 64 I HN 0.443 nan 8.210 nan 0.000 0.429 65 A N 3.195 126.033 122.820 0.030 0.000 2.276 65 A HA 0.515 4.833 4.320 -0.004 0.000 0.300 65 A C 0.938 178.479 177.584 -0.072 0.000 1.235 65 A CA -0.201 51.816 52.037 -0.033 0.000 0.867 65 A CB 0.286 19.239 19.000 -0.078 0.000 1.137 65 A HN 0.849 nan 8.150 nan 0.000 0.527 66 T N -0.070 114.421 114.554 -0.104 0.000 3.107 66 T HA 0.208 4.556 4.350 -0.004 0.000 0.249 66 T C 0.621 175.249 174.700 -0.119 0.000 1.096 66 T CA 0.082 62.103 62.100 -0.132 0.000 1.012 66 T CB -0.022 68.735 68.868 -0.185 0.000 0.977 66 T HN 0.541 nan 8.240 nan 0.000 0.527 67 R N -0.105 120.322 120.500 -0.120 0.000 2.744 67 R HA 0.557 4.894 4.340 -0.004 0.000 0.279 67 R C 1.425 177.659 176.300 -0.110 0.000 0.977 67 R CA -0.323 55.709 56.100 -0.114 0.000 0.906 67 R CB 1.242 31.468 30.300 -0.125 0.000 1.197 67 R HN 0.186 nan 8.270 nan 0.000 0.463 68 G N 0.941 109.684 108.800 -0.094 0.000 2.469 68 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.219 68 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.219 68 G C 1.053 175.889 174.900 -0.107 0.000 1.150 68 G CA 0.818 45.861 45.100 -0.094 0.000 0.763 68 G HN 0.655 nan 8.290 nan 0.000 0.561 69 Q N -0.533 119.206 119.800 -0.102 0.000 2.077 69 Q HA -0.137 4.200 4.340 -0.004 0.000 0.206 69 Q C 2.464 178.398 176.000 -0.110 0.000 0.989 69 Q CA 1.359 57.109 55.803 -0.089 0.000 0.853 69 Q CB -0.167 28.527 28.738 -0.073 0.000 0.907 69 Q HN 0.416 nan 8.270 nan 0.000 0.418 70 L N 0.136 121.242 121.223 -0.196 0.000 2.131 70 L HA -0.067 4.271 4.340 -0.004 0.000 0.206 70 L C 2.187 179.006 176.870 -0.084 0.000 1.087 70 L CA 1.040 55.745 54.840 -0.225 0.000 0.767 70 L CB -0.337 41.497 42.059 -0.375 0.000 0.917 70 L HN 0.253 nan 8.230 nan 0.000 0.441 71 I N -0.955 119.547 120.570 -0.114 0.000 2.226 71 I HA -0.303 3.864 4.170 -0.004 0.000 0.245 71 I C 2.631 178.717 176.117 -0.053 0.000 1.100 71 I CA 1.174 62.406 61.300 -0.113 0.000 1.374 71 I CB -0.216 37.759 38.000 -0.041 0.000 1.057 71 I HN 0.193 nan 8.210 nan 0.000 0.413 72 R N 0.650 121.107 120.500 -0.072 0.000 2.066 72 R HA -0.162 4.175 4.340 -0.004 0.000 0.232 72 R C 2.208 178.576 176.300 0.113 0.000 1.131 72 R CA 1.648 57.678 56.100 -0.117 0.000 0.955 72 R CB -0.335 29.772 30.300 -0.322 0.000 0.851 72 R HN 0.497 nan 8.270 nan 0.000 0.432 73 E N 0.771 121.041 120.200 0.118 0.000 2.077 73 E HA -0.188 4.159 4.350 -0.004 0.000 0.193 73 E C 2.096 178.798 176.600 0.170 0.000 0.989 73 E CA 1.173 57.711 56.400 0.230 0.000 0.800 73 E CB -0.241 29.681 29.700 0.370 0.000 0.746 73 E HN 0.334 nan 8.360 nan 0.000 0.452 74 A N 1.292 124.060 122.820 -0.087 0.000 1.883 74 A HA -0.214 4.103 4.320 -0.004 0.000 0.217 74 A C 1.992 179.452 177.584 -0.206 0.000 1.186 74 A CA 1.492 53.172 52.037 -0.595 0.000 0.624 74 A CB -0.952 17.300 19.000 -1.247 0.000 0.822 74 A HN 0.248 nan 8.150 nan 0.000 0.444 75 Y N 0.258 120.586 120.300 0.047 0.000 2.274 75 Y HA -0.154 4.394 4.550 -0.003 0.000 0.290 75 Y C 2.431 178.485 175.900 0.256 0.000 1.145 75 Y CA 1.540 59.749 58.100 0.180 0.000 1.203 75 Y CB -0.436 38.164 38.460 0.234 0.000 0.984 75 Y HN 0.488 nan 8.280 nan 0.000 0.533 76 E N -0.838 119.607 120.200 0.408 0.000 2.152 76 E HA -0.146 4.202 4.350 -0.004 0.000 0.192 76 E C 0.454 177.218 176.600 0.273 0.000 0.983 76 E CA 0.855 57.448 56.400 0.322 0.000 0.818 76 E CB 0.010 29.884 29.700 0.290 0.000 0.758 76 E HN 0.150 nan 8.360 nan 0.000 0.467 77 D N 0.163 120.727 120.400 0.274 0.000 2.563 77 D HA -0.031 4.607 4.640 -0.004 0.000 0.222 77 D C 0.412 176.846 176.300 0.223 0.000 1.145 77 D CA -0.375 53.749 54.000 0.207 0.000 1.001 77 D CB -0.109 40.899 40.800 0.347 0.000 1.049 77 D HN 0.190 nan 8.370 nan 0.000 0.515 78 Y N 1.250 121.661 120.300 0.185 0.000 2.509 78 Y HA 0.079 4.627 4.550 -0.004 0.000 0.293 78 Y C 1.716 177.639 175.900 0.039 0.000 1.133 78 Y CA 0.254 58.446 58.100 0.154 0.000 1.283 78 Y CB -0.321 38.234 38.460 0.157 0.000 1.001 78 Y HN 0.019 nan 8.280 nan 0.000 0.555 79 R N -0.031 120.307 120.500 -0.271 0.000 2.115 79 R HA -0.046 4.292 4.340 -0.004 0.000 0.230 79 R C 1.481 177.504 176.300 -0.461 0.000 1.111 79 R CA 1.937 57.841 56.100 -0.327 0.000 0.976 79 R CB -0.577 29.422 30.300 -0.500 0.000 0.870 79 R HN 0.585 nan 8.270 nan 0.000 0.445 80 H N -2.566 116.257 119.070 -0.412 0.000 2.516 80 H HA 0.212 4.765 4.556 -0.004 0.000 0.284 80 H C -0.358 174.471 175.328 -0.833 0.000 0.999 80 H CA 0.456 56.051 56.048 -0.755 0.000 1.303 80 H CB 0.407 29.397 29.762 -1.288 0.000 1.452 80 H HN -0.031 nan 8.280 nan 0.000 0.530 81 F N 1.020 120.983 119.950 0.021 0.000 2.310 81 F HA 0.294 4.818 4.527 -0.005 0.000 0.365 81 F C 0.289 176.133 175.800 0.073 0.000 1.080 81 F CA -0.780 57.228 58.000 0.013 0.000 1.187 81 F CB 0.984 39.947 39.000 -0.061 0.000 1.465 81 F HN -0.108 nan 8.300 nan 0.000 0.496 82 S N 0.750 116.544 115.700 0.155 0.000 2.565 82 S HA 0.187 4.654 4.470 -0.004 0.000 0.276 82 S C 1.177 175.864 174.600 0.146 0.000 1.326 82 S CA -0.439 57.856 58.200 0.159 0.000 1.045 82 S CB 0.969 64.228 63.200 0.097 0.000 0.918 82 S HN 0.503 nan 8.310 nan 0.000 0.505 83 S N 3.059 118.843 115.700 0.140 0.000 2.603 83 S HA 0.043 4.511 4.470 -0.004 0.000 0.220 83 S C 1.560 176.180 174.600 0.034 0.000 0.967 83 S CA -0.101 58.129 58.200 0.049 0.000 0.920 83 S CB -0.178 62.980 63.200 -0.069 0.000 0.773 83 S HN 0.841 nan 8.310 nan 0.000 0.529 84 E N 0.226 120.468 120.200 0.071 0.000 2.160 84 E HA -0.163 4.185 4.350 -0.004 0.000 0.195 84 E C 0.277 176.904 176.600 0.045 0.000 0.991 84 E CA 0.701 57.142 56.400 0.069 0.000 0.810 84 E CB 0.097 29.839 29.700 0.070 0.000 0.742 84 E HN 0.408 nan 8.360 nan 0.000 0.466 85 C N 1.545 120.857 119.300 0.020 0.000 3.002 85 C HA 0.396 4.853 4.460 -0.004 0.000 0.248 85 C C -2.009 172.960 174.990 -0.036 0.000 1.153 85 C CA -1.489 57.526 59.018 -0.004 0.000 1.502 85 C CB 0.809 28.569 27.740 0.032 0.000 1.805 85 C HN 0.202 nan 8.230 nan 0.000 0.450 86 P HA 0.159 nan 4.420 nan 0.000 0.261 86 P C -0.214 177.105 177.300 0.031 0.000 1.268 86 P CA 0.463 63.500 63.100 -0.104 0.000 0.833 86 P CB 0.307 31.858 31.700 -0.249 0.000 1.231 87 W N 0.418 121.456 121.300 -0.436 0.000 2.689 87 W HA 0.503 5.161 4.660 -0.004 0.000 0.340 87 W C 0.055 176.445 176.519 -0.215 0.000 1.060 87 W CA -0.662 56.473 57.345 -0.349 0.000 1.218 87 W CB 1.056 30.230 29.460 -0.478 0.000 1.410 87 W HN -0.311 nan 8.180 nan 0.000 0.528 88 I N 5.368 125.912 120.570 -0.042 0.000 2.441 88 I HA 0.290 4.458 4.170 -0.004 0.000 0.295 88 I C -1.645 174.570 176.117 0.164 0.000 0.994 88 I CA -2.177 59.099 61.300 -0.040 0.000 1.144 88 I CB 2.074 39.917 38.000 -0.262 0.000 1.314 88 I HN 0.052 nan 8.210 nan 0.000 0.445 89 P HA 0.109 nan 4.420 nan 0.000 0.274 89 P C 0.400 177.736 177.300 0.061 0.000 1.260 89 P CA -0.381 62.774 63.100 0.092 0.000 0.793 89 P CB 0.950 32.709 31.700 0.098 0.000 1.048 90 R N 0.485 121.017 120.500 0.053 0.000 2.119 90 R HA -0.227 4.111 4.340 -0.004 0.000 0.246 90 R C 1.805 178.135 176.300 0.051 0.000 1.146 90 R CA 2.084 58.214 56.100 0.051 0.000 0.962 90 R CB -0.381 29.959 30.300 0.067 0.000 0.863 90 R HN 0.404 nan 8.270 nan 0.000 0.442 91 E N 0.006 120.243 120.200 0.061 0.000 2.160 91 E HA -0.159 4.188 4.350 -0.004 0.000 0.195 91 E C 1.766 178.411 176.600 0.074 0.000 0.991 91 E CA 1.534 57.975 56.400 0.069 0.000 0.810 91 E CB -0.181 29.564 29.700 0.076 0.000 0.742 91 E HN 0.506 nan 8.360 nan 0.000 0.466 92 A N 0.338 123.189 122.820 0.051 0.000 1.897 92 A HA 0.024 4.342 4.320 -0.004 0.000 0.215 92 A C 2.428 179.871 177.584 -0.235 0.000 1.181 92 A CA 1.461 53.446 52.037 -0.088 0.000 0.620 92 A CB -1.014 17.966 19.000 -0.034 0.000 0.821 92 A HN 0.348 nan 8.150 nan 0.000 0.443 93 G N -0.357 108.404 108.800 -0.065 0.000 2.422 93 G HA2 -0.181 3.777 3.960 -0.004 0.000 0.218 93 G HA3 -0.181 3.777 3.960 -0.004 0.000 0.218 93 G C 1.406 176.300 174.900 -0.010 0.000 1.146 93 G CA 1.004 46.072 45.100 -0.053 0.000 0.769 93 G HN 0.649 nan 8.290 nan 0.000 0.547 94 E N 0.277 120.491 120.200 0.023 0.000 2.152 94 E HA 0.120 4.468 4.350 -0.004 0.000 0.192 94 E C 2.699 179.337 176.600 0.063 0.000 0.983 94 E CA 0.649 57.078 56.400 0.047 0.000 0.818 94 E CB -0.040 29.690 29.700 0.050 0.000 0.758 94 E HN 0.412 nan 8.360 nan 0.000 0.467 95 A N 0.819 123.692 122.820 0.088 0.000 2.178 95 A HA 0.016 4.334 4.320 -0.004 0.000 0.211 95 A C 0.694 178.366 177.584 0.146 0.000 1.157 95 A CA -0.303 51.807 52.037 0.122 0.000 0.780 95 A CB -0.338 18.788 19.000 0.210 0.000 0.828 95 A HN 0.270 nan 8.150 nan 0.000 0.476 96 F N 2.673 122.563 119.950 -0.101 0.000 2.502 96 F HA 0.186 4.711 4.527 -0.004 0.000 0.361 96 F C 0.239 175.917 175.800 -0.204 0.000 1.157 96 F CA -0.189 57.683 58.000 -0.213 0.000 1.096 96 F CB 0.493 39.164 39.000 -0.549 0.000 1.141 96 F HN 0.314 nan 8.300 nan 0.000 0.579 97 D N 4.488 124.670 120.400 -0.364 0.000 2.593 97 D HA 0.075 4.713 4.640 -0.004 0.000 0.241 97 D C -0.200 175.942 176.300 -0.264 0.000 1.257 97 D CA -0.381 53.505 54.000 -0.190 0.000 0.828 97 D CB -0.794 39.946 40.800 -0.100 0.000 1.049 97 D HN 0.126 nan 8.370 nan 0.000 0.490 98 F N 0.813 120.565 119.950 -0.330 0.000 2.490 98 F HA 0.307 4.832 4.527 -0.004 0.000 0.336 98 F C 1.149 176.898 175.800 -0.085 0.000 1.178 98 F CA -0.281 57.570 58.000 -0.248 0.000 1.301 98 F CB 0.534 39.252 39.000 -0.470 0.000 1.175 98 F HN -0.118 nan 8.300 nan 0.000 0.593 99 I N 3.792 124.459 120.570 0.161 0.000 2.509 99 I HA 0.241 4.408 4.170 -0.004 0.000 0.293 99 I C -1.703 174.480 176.117 0.110 0.000 1.020 99 I CA -1.736 59.587 61.300 0.038 0.000 1.088 99 I CB 2.664 40.549 38.000 -0.191 0.000 1.267 99 I HN 0.379 nan 8.210 nan 0.000 0.430 100 P HA 0.050 nan 4.420 nan 0.000 0.261 100 P C 1.041 178.522 177.300 0.302 0.000 1.268 100 P CA 0.369 63.579 63.100 0.183 0.000 0.833 100 P CB 0.239 32.067 31.700 0.214 0.000 1.231 101 T N 0.804 115.547 114.554 0.314 0.000 2.721 101 T HA -0.149 4.198 4.350 -0.004 0.000 0.268 101 T C 1.812 176.653 174.700 0.234 0.000 1.038 101 T CA 2.245 64.522 62.100 0.294 0.000 1.145 101 T CB -0.845 68.260 68.868 0.395 0.000 0.858 101 T HN 0.328 nan 8.240 nan 0.000 0.459 102 S N 0.002 115.911 115.700 0.347 0.000 2.671 102 S HA 0.327 4.795 4.470 -0.004 0.000 0.220 102 S C 0.418 175.119 174.600 0.170 0.000 0.951 102 S CA -0.362 57.999 58.200 0.268 0.000 0.932 102 S CB -0.557 62.838 63.200 0.325 0.000 0.777 102 S HN 0.367 nan 8.310 nan 0.000 0.508 103 M N 1.551 121.277 119.600 0.210 0.000 2.664 103 M HA 0.527 5.004 4.480 -0.004 0.000 0.314 103 M C -1.060 175.398 176.300 0.263 0.000 1.200 103 M CA -0.684 54.729 55.300 0.188 0.000 0.916 103 M CB 1.683 34.368 32.600 0.142 0.000 1.717 103 M HN 0.027 nan 8.290 nan 0.000 0.470 104 D N 1.234 121.727 120.400 0.154 0.000 2.299 104 D HA 0.515 5.152 4.640 -0.004 0.000 0.243 104 D C -2.521 173.714 176.300 -0.108 0.000 0.982 104 D CA -1.262 52.780 54.000 0.070 0.000 0.924 104 D CB 1.553 42.415 40.800 0.103 0.000 1.238 104 D HN 0.137 nan 8.370 nan 0.000 0.484 105 P HA 0.098 nan 4.420 nan 0.000 0.270 105 P C -1.762 175.429 177.300 -0.182 0.000 1.223 105 P CA -0.791 62.080 63.100 -0.383 0.000 0.785 105 P CB 0.375 31.631 31.700 -0.739 0.000 0.923 106 P HA -0.025 nan 4.420 nan 0.000 0.230 106 P C 0.690 177.984 177.300 -0.011 0.000 1.168 106 P CA 1.117 64.194 63.100 -0.037 0.000 0.793 106 P CB 0.243 31.950 31.700 0.012 0.000 0.851 107 E N 0.653 120.873 120.200 0.033 0.000 2.153 107 E HA -0.198 4.149 4.350 -0.004 0.000 0.194 107 E C 2.311 179.013 176.600 0.171 0.000 0.988 107 E CA 0.907 57.367 56.400 0.101 0.000 0.811 107 E CB -0.849 28.934 29.700 0.138 0.000 0.746 107 E HN 0.341 nan 8.360 nan 0.000 0.466 108 Q N 0.851 120.717 119.800 0.110 0.000 2.112 108 Q HA -0.271 4.067 4.340 -0.004 0.000 0.206 108 Q C 1.994 178.068 176.000 0.123 0.000 0.987 108 Q CA 1.561 57.448 55.803 0.140 0.000 0.858 108 Q CB 0.002 28.738 28.738 -0.004 0.000 0.905 108 Q HN 0.106 nan 8.270 nan 0.000 0.420 109 R N 0.718 121.222 120.500 0.006 0.000 2.112 109 R HA -0.236 4.102 4.340 -0.004 0.000 0.242 109 R C 2.500 178.780 176.300 -0.032 0.000 1.137 109 R CA 2.440 58.523 56.100 -0.028 0.000 0.944 109 R CB -0.491 29.774 30.300 -0.059 0.000 0.857 109 R HN 0.577 nan 8.270 nan 0.000 0.435 110 Q N -0.826 118.915 119.800 -0.099 0.000 2.197 110 Q HA -0.226 4.112 4.340 -0.004 0.000 0.207 110 Q C 1.637 177.470 176.000 -0.279 0.000 0.984 110 Q CA 1.933 57.594 55.803 -0.238 0.000 0.869 110 Q CB -0.436 28.065 28.738 -0.395 0.000 0.906 110 Q HN 0.389 nan 8.270 nan 0.000 0.426 111 F N 0.714 120.664 119.950 0.000 0.000 2.335 111 F HA 0.149 4.673 4.527 -0.004 0.000 0.296 111 F C 2.700 178.509 175.800 0.015 0.000 1.091 111 F CA 0.660 58.668 58.000 0.014 0.000 1.399 111 F CB -0.153 38.865 39.000 0.031 0.000 1.067 111 F HN -0.024 nan 8.300 nan 0.000 0.520 112 R N 0.923 121.525 120.500 0.171 0.000 2.120 112 R HA -0.157 4.181 4.340 -0.004 0.000 0.234 112 R C 2.258 178.589 176.300 0.052 0.000 1.123 112 R CA 1.252 57.409 56.100 0.094 0.000 0.975 112 R CB -0.389 29.930 30.300 0.031 0.000 0.866 112 R HN 0.277 nan 8.270 nan 0.000 0.446 113 A N 1.039 123.871 122.820 0.021 0.000 1.898 113 A HA -0.158 4.160 4.320 -0.004 0.000 0.216 113 A C 2.005 179.597 177.584 0.013 0.000 1.181 113 A CA 1.178 53.216 52.037 0.001 0.000 0.620 113 A CB -0.555 18.428 19.000 -0.029 0.000 0.819 113 A HN 0.384 nan 8.150 nan 0.000 0.442 114 L N -0.219 121.016 121.223 0.021 0.000 2.056 114 L HA -0.003 4.334 4.340 -0.004 0.000 0.207 114 L C 2.580 179.483 176.870 0.054 0.000 1.078 114 L CA 2.191 57.049 54.840 0.031 0.000 0.749 114 L CB -0.830 41.252 42.059 0.039 0.000 0.901 114 L HN 0.320 nan 8.230 nan 0.000 0.433 115 A N -0.446 122.422 122.820 0.081 0.000 1.933 115 A HA -0.243 4.074 4.320 -0.004 0.000 0.218 115 A C 2.184 179.803 177.584 0.058 0.000 1.175 115 A CA 1.688 53.773 52.037 0.080 0.000 0.628 115 A CB -0.956 18.104 19.000 0.099 0.000 0.814 115 A HN 0.589 nan 8.150 nan 0.000 0.444 116 N N -0.063 118.666 118.700 0.048 0.000 2.205 116 N HA -0.180 4.557 4.740 -0.004 0.000 0.186 116 N C 1.812 177.340 175.510 0.030 0.000 1.015 116 N CA 1.743 54.816 53.050 0.038 0.000 0.862 116 N CB -0.356 38.148 38.487 0.028 0.000 0.986 116 N HN 0.651 nan 8.380 nan 0.000 0.429 117 Q N -0.707 119.106 119.800 0.022 0.000 2.226 117 Q HA -0.074 4.264 4.340 -0.004 0.000 0.204 117 Q C 1.838 177.846 176.000 0.014 0.000 0.975 117 Q CA 1.446 57.256 55.803 0.012 0.000 0.866 117 Q CB 0.145 28.886 28.738 0.005 0.000 0.915 117 Q HN 0.466 nan 8.270 nan 0.000 0.440 118 V N -2.893 117.035 119.914 0.023 0.000 3.174 118 V HA 0.037 4.154 4.120 -0.004 0.000 0.254 118 V C 1.556 177.664 176.094 0.023 0.000 1.120 118 V CA 0.734 63.044 62.300 0.017 0.000 1.114 118 V CB 0.273 32.108 31.823 0.020 0.000 0.756 118 V HN 0.251 nan 8.190 nan 0.000 0.467 119 V N -2.143 117.795 119.914 0.040 0.000 3.330 119 V HA 0.710 4.827 4.120 -0.004 0.000 0.309 119 V C 0.937 177.063 176.094 0.054 0.000 1.481 119 V CA 0.200 62.530 62.300 0.051 0.000 1.068 119 V CB -0.493 31.376 31.823 0.077 0.000 0.935 119 V HN 0.424 nan 8.190 nan 0.000 0.453 120 G N -0.415 108.417 108.800 0.052 0.000 2.599 120 G HA2 0.374 4.332 3.960 -0.004 0.000 0.264 120 G HA3 0.374 4.332 3.960 -0.004 0.000 0.264 120 G C 0.493 175.423 174.900 0.050 0.000 1.200 120 G CA 0.050 45.196 45.100 0.078 0.000 0.896 120 G HN 0.202 nan 8.290 nan 0.000 0.536 121 M N 1.287 120.903 119.600 0.027 0.000 2.152 121 M HA -0.150 4.328 4.480 -0.004 0.000 0.251 121 M C -0.290 175.979 176.300 -0.051 0.000 1.080 121 M CA 2.530 57.780 55.300 -0.083 0.000 1.079 121 M CB -0.904 31.515 32.600 -0.302 0.000 1.317 121 M HN 0.397 nan 8.290 nan 0.000 0.404 122 P HA -0.116 nan 4.420 nan 0.000 0.215 122 P C 1.731 179.021 177.300 -0.016 0.000 1.153 122 P CA 1.391 64.472 63.100 -0.032 0.000 0.853 122 P CB -0.160 31.523 31.700 -0.028 0.000 0.788 123 V N -0.490 119.420 119.914 -0.007 0.000 2.427 123 V HA -0.186 3.932 4.120 -0.004 0.000 0.248 123 V C 2.466 178.560 176.094 0.000 0.000 1.051 123 V CA 1.612 63.910 62.300 -0.004 0.000 1.048 123 V CB -1.128 30.696 31.823 0.000 0.000 0.666 123 V HN -0.036 nan 8.190 nan 0.000 0.456 124 V N 0.011 119.931 119.914 0.010 0.000 2.295 124 V HA -0.281 3.837 4.120 -0.004 0.000 0.246 124 V C 2.337 178.438 176.094 0.011 0.000 1.049 124 V CA 2.214 64.525 62.300 0.018 0.000 1.024 124 V CB -0.742 31.104 31.823 0.038 0.000 0.648 124 V HN 0.555 nan 8.190 nan 0.000 0.447 125 D N 0.303 120.703 120.400 0.000 0.000 2.133 125 D HA -0.185 4.452 4.640 -0.004 0.000 0.192 125 D C 2.196 178.499 176.300 0.005 0.000 1.001 125 D CA 1.381 55.382 54.000 0.000 0.000 0.844 125 D CB -0.196 40.596 40.800 -0.012 0.000 0.944 125 D HN 0.394 nan 8.370 nan 0.000 0.447 126 K N 0.686 121.086 120.400 -0.000 0.000 2.097 126 K HA -0.048 4.270 4.320 -0.004 0.000 0.206 126 K C 2.395 178.998 176.600 0.004 0.000 1.049 126 K CA 0.269 56.556 56.287 -0.000 0.000 0.933 126 K CB -0.823 31.673 32.500 -0.006 0.000 0.717 126 K HN 0.279 nan 8.250 nan 0.000 0.442 127 L N 1.422 122.647 121.223 0.003 0.000 2.456 127 L HA -0.116 4.222 4.340 -0.004 0.000 0.224 127 L C 2.309 179.192 176.870 0.022 0.000 1.148 127 L CA 0.400 55.243 54.840 0.005 0.000 0.825 127 L CB -0.327 41.729 42.059 -0.005 0.000 0.937 127 L HN 0.149 nan 8.230 nan 0.000 0.450 128 E N 1.446 121.664 120.200 0.029 0.000 2.063 128 E HA -0.308 4.040 4.350 -0.004 0.000 0.221 128 E C 1.633 178.268 176.600 0.058 0.000 1.052 128 E CA 2.367 58.794 56.400 0.046 0.000 0.891 128 E CB -0.351 29.372 29.700 0.037 0.000 0.792 128 E HN 0.478 nan 8.360 nan 0.000 0.482 129 N N -0.682 118.045 118.700 0.045 0.000 2.094 129 N HA -0.251 4.486 4.740 -0.004 0.000 0.191 129 N C 1.985 177.531 175.510 0.060 0.000 1.023 129 N CA 1.134 54.214 53.050 0.049 0.000 0.857 129 N CB -0.235 38.273 38.487 0.034 0.000 1.013 129 N HN 0.043 nan 8.380 nan 0.000 0.426 130 R N 1.537 122.067 120.500 0.050 0.000 2.096 130 R HA -0.002 4.336 4.340 -0.004 0.000 0.235 130 R C 1.897 178.250 176.300 0.089 0.000 1.127 130 R CA 1.067 57.199 56.100 0.053 0.000 0.968 130 R CB -0.306 30.010 30.300 0.026 0.000 0.861 130 R HN 0.258 nan 8.270 nan 0.000 0.440 131 I N 0.139 120.770 120.570 0.102 0.000 2.252 131 I HA -0.251 3.917 4.170 -0.004 0.000 0.245 131 I C 2.568 178.871 176.117 0.309 0.000 1.102 131 I CA 1.245 62.652 61.300 0.178 0.000 1.385 131 I CB -0.452 37.633 38.000 0.142 0.000 1.064 131 I HN 0.395 nan 8.210 nan 0.000 0.414 132 Q N 0.819 120.741 119.800 0.204 0.000 2.084 132 Q HA -0.274 4.064 4.340 -0.004 0.000 0.202 132 Q C 2.104 178.193 176.000 0.149 0.000 0.978 132 Q CA 1.810 57.718 55.803 0.176 0.000 0.844 132 Q CB -0.082 28.725 28.738 0.114 0.000 0.898 132 Q HN 0.502 nan 8.270 nan 0.000 0.426 133 E N 0.088 120.362 120.200 0.123 0.000 2.070 133 E HA -0.232 4.116 4.350 -0.004 0.000 0.197 133 E C 2.104 178.777 176.600 0.122 0.000 1.004 133 E CA 1.226 57.684 56.400 0.097 0.000 0.805 133 E CB -0.121 29.624 29.700 0.075 0.000 0.744 133 E HN 0.234 nan 8.360 nan 0.000 0.451 134 L N 0.624 121.955 121.223 0.180 0.000 2.141 134 L HA -0.055 4.282 4.340 -0.004 0.000 0.209 134 L C 2.200 179.217 176.870 0.244 0.000 1.094 134 L CA 2.026 57.000 54.840 0.223 0.000 0.763 134 L CB -0.556 41.664 42.059 0.268 0.000 0.908 134 L HN 0.183 nan 8.230 nan 0.000 0.437 135 A N -1.280 121.678 122.820 0.230 0.000 1.902 135 A HA -0.213 4.105 4.320 -0.004 0.000 0.217 135 A C 2.359 179.970 177.584 0.045 0.000 1.181 135 A CA 1.796 53.821 52.037 -0.021 0.000 0.623 135 A CB -1.398 17.519 19.000 -0.138 0.000 0.818 135 A HN 0.615 nan 8.150 nan 0.000 0.443 136 C N -1.587 117.741 119.300 0.047 0.000 2.462 136 C HA -0.033 4.425 4.460 -0.004 0.000 0.278 136 C C 3.232 178.230 174.990 0.014 0.000 1.253 136 C CA 1.201 60.225 59.018 0.009 0.000 1.713 136 C CB -1.099 26.651 27.740 0.018 0.000 2.049 136 C HN 0.664 nan 8.230 nan 0.000 0.477 137 S N 0.440 116.169 115.700 0.047 0.000 2.372 137 S HA -0.184 4.283 4.470 -0.004 0.000 0.227 137 S C 1.748 176.378 174.600 0.050 0.000 1.044 137 S CA 1.577 59.805 58.200 0.047 0.000 1.050 137 S CB -0.320 62.918 63.200 0.065 0.000 0.901 137 S HN 0.404 nan 8.310 nan 0.000 0.447 138 L N 1.221 122.498 121.223 0.090 0.000 2.072 138 L HA 0.184 4.522 4.340 -0.004 0.000 0.205 138 L C 2.149 179.058 176.870 0.065 0.000 1.079 138 L CA 1.469 56.386 54.840 0.128 0.000 0.752 138 L CB -0.888 41.321 42.059 0.250 0.000 0.906 138 L HN 0.413 nan 8.230 nan 0.000 0.436 139 I N -0.983 119.568 120.570 -0.032 0.000 2.233 139 I HA -0.230 3.938 4.170 -0.004 0.000 0.243 139 I C 2.419 178.381 176.117 -0.258 0.000 1.093 139 I CA 0.989 62.125 61.300 -0.274 0.000 1.380 139 I CB -0.179 37.596 38.000 -0.375 0.000 1.067 139 I HN 0.238 nan 8.210 nan 0.000 0.413 140 E N 1.084 121.196 120.200 -0.148 0.000 2.077 140 E HA -0.244 4.104 4.350 -0.004 0.000 0.193 140 E C 2.209 178.776 176.600 -0.054 0.000 0.989 140 E CA 1.912 58.249 56.400 -0.105 0.000 0.800 140 E CB -0.282 29.382 29.700 -0.061 0.000 0.746 140 E HN 0.260 nan 8.360 nan 0.000 0.452 141 S N -0.994 114.691 115.700 -0.024 0.000 2.419 141 S HA -0.068 4.400 4.470 -0.004 0.000 0.233 141 S C 1.814 176.432 174.600 0.029 0.000 1.016 141 S CA 1.100 59.306 58.200 0.010 0.000 0.974 141 S CB -0.218 62.998 63.200 0.026 0.000 0.786 141 S HN 0.380 nan 8.310 nan 0.000 0.492 142 L N 0.521 121.755 121.223 0.019 0.000 2.307 142 L HA 0.216 4.553 4.340 -0.004 0.000 0.211 142 L C 2.621 179.615 176.870 0.207 0.000 1.099 142 L CA 0.357 55.261 54.840 0.107 0.000 0.816 142 L CB -0.391 41.734 42.059 0.109 0.000 0.952 142 L HN 0.270 nan 8.230 nan 0.000 0.455 143 R N 1.297 121.817 120.500 0.034 0.000 2.171 143 R HA -0.213 4.124 4.340 -0.004 0.000 0.232 143 R C -0.660 175.837 176.300 0.328 0.000 1.116 143 R CA 2.601 58.749 56.100 0.080 0.000 0.901 143 R CB -1.455 28.796 30.300 -0.082 0.000 0.850 143 R HN 0.172 nan 8.270 nan 0.000 0.431 144 P HA -0.131 nan 4.420 nan 0.000 0.231 144 P C 0.297 177.627 177.300 0.051 0.000 1.158 144 P CA 1.363 64.530 63.100 0.112 0.000 0.763 144 P CB -0.074 31.656 31.700 0.051 0.000 0.805 145 Q N -0.764 119.065 119.800 0.048 0.000 2.311 145 Q HA 0.109 4.447 4.340 -0.004 0.000 0.203 145 Q C 1.559 177.333 176.000 -0.376 0.000 0.954 145 Q CA 0.719 56.459 55.803 -0.105 0.000 0.885 145 Q CB -0.398 28.300 28.738 -0.067 0.000 0.963 145 Q HN 0.267 nan 8.270 nan 0.000 0.471 146 G N 1.734 110.105 108.800 -0.716 0.000 2.168 146 G HA2 -0.322 3.636 3.960 -0.004 0.000 0.257 146 G HA3 -0.322 3.636 3.960 -0.004 0.000 0.257 146 G C -0.117 173.683 174.900 -1.834 0.000 0.997 146 G CA 0.890 45.001 45.100 -1.649 0.000 0.708 146 G HN 0.462 nan 8.290 nan 0.000 0.520 147 Q N -2.298 116.472 119.800 -1.715 0.000 2.848 147 Q HA 0.577 4.915 4.340 -0.004 0.000 0.288 147 Q C -0.447 175.398 176.000 -0.259 0.000 0.907 147 Q CA -0.773 54.514 55.803 -0.860 0.000 0.792 147 Q CB 1.108 29.610 28.738 -0.394 0.000 1.534 147 Q HN 1.650 nan 8.270 nan 0.000 0.419 148 C N -0.278 119.071 119.300 0.083 0.000 3.224 148 C HA 0.626 5.084 4.460 -0.004 0.000 0.348 148 C C -1.631 173.493 174.990 0.223 0.000 1.242 148 C CA -0.811 58.338 59.018 0.218 0.000 1.180 148 C CB 1.466 29.467 27.740 0.434 0.000 1.458 148 C HN 0.957 nan 8.230 nan 0.000 0.485 149 N N 1.052 119.854 118.700 0.171 0.000 2.699 149 N HA 0.229 4.966 4.740 -0.004 0.000 0.232 149 N C 0.547 176.166 175.510 0.183 0.000 1.027 149 N CA -0.421 52.726 53.050 0.161 0.000 0.920 149 N CB 0.347 38.892 38.487 0.097 0.000 1.148 149 N HN 0.795 nan 8.380 nan 0.000 0.509 150 F N 3.013 123.026 119.950 0.104 0.000 2.101 150 F HA -0.379 4.146 4.527 -0.004 0.000 0.298 150 F C 2.510 178.356 175.800 0.077 0.000 1.076 150 F CA 2.612 60.662 58.000 0.084 0.000 1.248 150 F CB -0.389 38.580 39.000 -0.051 0.000 0.999 150 F HN 0.552 nan 8.300 nan 0.000 0.488 151 T N -1.790 112.791 114.554 0.044 0.000 2.746 151 T HA -0.241 4.106 4.350 -0.004 0.000 0.267 151 T C 1.648 176.292 174.700 -0.094 0.000 1.039 151 T CA 1.512 63.584 62.100 -0.048 0.000 1.142 151 T CB -0.699 68.175 68.868 0.011 0.000 0.866 151 T HN 0.693 nan 8.240 nan 0.000 0.444 152 E N 0.389 120.565 120.200 -0.040 0.000 2.415 152 E HA 0.022 4.369 4.350 -0.004 0.000 0.197 152 E C 1.077 177.658 176.600 -0.031 0.000 1.007 152 E CA 0.444 56.825 56.400 -0.031 0.000 0.890 152 E CB 0.022 29.723 29.700 0.003 0.000 0.891 152 E HN 0.402 nan 8.360 nan 0.000 0.496 153 D N -0.554 119.834 120.400 -0.019 0.000 2.354 153 D HA 0.012 4.650 4.640 -0.004 0.000 0.209 153 D C 0.524 176.847 176.300 0.038 0.000 1.015 153 D CA 0.661 54.683 54.000 0.036 0.000 0.867 153 D CB 0.330 41.202 40.800 0.119 0.000 0.933 153 D HN 0.257 nan 8.370 nan 0.000 0.520 154 Y N -0.042 120.070 120.300 -0.314 0.000 3.147 154 Y HA 0.314 4.862 4.550 -0.004 0.000 0.219 154 Y C 1.983 177.660 175.900 -0.371 0.000 1.021 154 Y CA 0.582 58.457 58.100 -0.375 0.000 1.440 154 Y CB -0.268 37.847 38.460 -0.576 0.000 1.472 154 Y HN -0.153 nan 8.280 nan 0.000 0.408 155 A N 1.034 123.471 122.820 -0.638 0.000 1.903 155 A HA -0.248 4.070 4.320 -0.004 0.000 0.219 155 A C 1.833 179.314 177.584 -0.171 0.000 1.191 155 A CA 2.573 54.427 52.037 -0.306 0.000 0.638 155 A CB -0.669 18.219 19.000 -0.187 0.000 0.823 155 A HN 0.698 nan 8.150 nan 0.000 0.451 156 E N -0.938 119.164 120.200 -0.164 0.000 2.042 156 E HA -0.076 4.271 4.350 -0.004 0.000 0.189 156 E C -0.539 176.002 176.600 -0.097 0.000 0.974 156 E CA 0.766 57.106 56.400 -0.099 0.000 0.806 156 E CB -0.650 29.010 29.700 -0.067 0.000 0.769 156 E HN 0.540 nan 8.360 nan 0.000 0.451 157 P HA -0.167 nan 4.420 nan 0.000 0.219 157 P C 1.352 178.610 177.300 -0.070 0.000 1.150 157 P CA 1.023 64.082 63.100 -0.068 0.000 0.814 157 P CB -0.021 31.655 31.700 -0.039 0.000 0.787 158 F N 2.588 122.320 119.950 -0.364 0.000 2.051 158 F HA -0.020 4.504 4.527 -0.004 0.000 0.296 158 F C -0.875 174.814 175.800 -0.185 0.000 1.122 158 F CA 1.492 59.264 58.000 -0.380 0.000 1.201 158 F CB -1.977 36.499 39.000 -0.873 0.000 0.978 158 F HN -0.048 nan 8.300 nan 0.000 0.472 159 P HA -0.166 nan 4.420 nan 0.000 0.213 159 P C 2.194 179.395 177.300 -0.165 0.000 1.170 159 P CA 2.302 65.206 63.100 -0.327 0.000 0.893 159 P CB -0.139 31.483 31.700 -0.130 0.000 0.784 160 I N -1.021 119.497 120.570 -0.086 0.000 2.248 160 I HA -0.284 3.884 4.170 -0.004 0.000 0.248 160 I C 2.574 178.714 176.117 0.038 0.000 1.107 160 I CA 1.606 62.906 61.300 0.001 0.000 1.373 160 I CB -0.563 37.430 38.000 -0.013 0.000 1.055 160 I HN -0.079 nan 8.210 nan 0.000 0.418 161 R N 0.770 121.254 120.500 -0.026 0.000 2.073 161 R HA -0.113 4.224 4.340 -0.004 0.000 0.234 161 R C 2.395 178.675 176.300 -0.033 0.000 1.134 161 R CA 1.453 57.543 56.100 -0.017 0.000 0.952 161 R CB -0.317 29.972 30.300 -0.019 0.000 0.850 161 R HN 0.334 nan 8.270 nan 0.000 0.433 162 I N -0.020 120.493 120.570 -0.095 0.000 2.208 162 I HA -0.316 3.851 4.170 -0.004 0.000 0.245 162 I C 2.227 178.317 176.117 -0.044 0.000 1.097 162 I CA 1.351 62.589 61.300 -0.103 0.000 1.363 162 I CB -0.274 37.599 38.000 -0.213 0.000 1.051 162 I HN 0.120 nan 8.210 nan 0.000 0.413 163 F N 1.115 120.998 119.950 -0.112 0.000 2.146 163 F HA -0.229 4.296 4.527 -0.004 0.000 0.298 163 F C 2.481 178.257 175.800 -0.040 0.000 1.096 163 F CA 1.500 59.458 58.000 -0.070 0.000 1.275 163 F CB -0.109 38.851 39.000 -0.067 0.000 1.008 163 F HN -0.067 nan 8.300 nan 0.000 0.480 164 M N -0.235 119.370 119.600 0.008 0.000 2.358 164 M HA -0.126 4.352 4.480 -0.004 0.000 0.264 164 M C 2.155 178.370 176.300 -0.141 0.000 1.064 164 M CA 1.102 56.370 55.300 -0.052 0.000 1.093 164 M CB -1.343 31.288 32.600 0.053 0.000 1.401 164 M HN 0.393 nan 8.290 nan 0.000 0.440 165 L N 0.184 121.328 121.223 -0.132 0.000 2.095 165 L HA -0.056 4.282 4.340 -0.004 0.000 0.204 165 L C 2.119 178.890 176.870 -0.165 0.000 1.080 165 L CA 1.216 55.988 54.840 -0.113 0.000 0.759 165 L CB -0.786 41.228 42.059 -0.074 0.000 0.914 165 L HN 0.198 nan 8.230 nan 0.000 0.439 166 L N 0.322 121.400 121.223 -0.243 0.000 2.083 166 L HA -0.003 4.334 4.340 -0.004 0.000 0.209 166 L C 2.295 178.978 176.870 -0.312 0.000 1.083 166 L CA 2.030 56.718 54.840 -0.253 0.000 0.752 166 L CB -0.906 40.994 42.059 -0.266 0.000 0.899 166 L HN 0.271 nan 8.230 nan 0.000 0.433 167 A N -0.744 121.779 122.820 -0.496 0.000 2.208 167 A HA 0.329 4.646 4.320 -0.004 0.000 0.209 167 A C 1.606 179.076 177.584 -0.191 0.000 1.161 167 A CA 0.539 52.335 52.037 -0.402 0.000 0.782 167 A CB -1.117 17.536 19.000 -0.579 0.000 0.816 167 A HN 0.836 nan 8.150 nan 0.000 0.477 168 G N -0.456 108.248 108.800 -0.159 0.000 2.338 168 G HA2 -0.210 3.747 3.960 -0.004 0.000 0.296 168 G HA3 -0.210 3.747 3.960 -0.004 0.000 0.296 168 G C -0.160 174.714 174.900 -0.043 0.000 1.040 168 G CA 0.640 45.690 45.100 -0.083 0.000 1.004 168 G HN 0.486 nan 8.290 nan 0.000 0.509 169 L N 0.504 121.711 121.223 -0.027 0.000 2.334 169 L HA 0.587 4.924 4.340 -0.004 0.000 0.273 169 L C -1.705 175.195 176.870 0.049 0.000 1.013 169 L CA -2.506 52.363 54.840 0.048 0.000 0.816 169 L CB 2.226 44.361 42.059 0.126 0.000 1.278 169 L HN -0.001 nan 8.230 nan 0.000 0.431 170 P HA 0.121 nan 4.420 nan 0.000 0.276 170 P C -0.245 177.094 177.300 0.066 0.000 1.235 170 P CA -0.283 62.850 63.100 0.056 0.000 0.772 170 P CB 0.934 32.667 31.700 0.055 0.000 0.871 171 E N 1.972 122.199 120.200 0.045 0.000 2.331 171 E HA -0.222 4.126 4.350 -0.004 0.000 0.199 171 E C 1.504 178.132 176.600 0.047 0.000 1.008 171 E CA 1.113 57.540 56.400 0.044 0.000 0.843 171 E CB -0.028 29.691 29.700 0.030 0.000 0.761 171 E HN 0.672 nan 8.360 nan 0.000 0.507 172 E N 1.259 121.488 120.200 0.048 0.000 2.209 172 E HA -0.216 4.132 4.350 -0.004 0.000 0.196 172 E C 0.936 177.572 176.600 0.059 0.000 0.993 172 E CA 1.263 57.691 56.400 0.046 0.000 0.819 172 E CB -0.079 29.646 29.700 0.041 0.000 0.745 172 E HN 0.160 nan 8.360 nan 0.000 0.477 173 D N 0.777 121.226 120.400 0.082 0.000 2.347 173 D HA 0.054 4.692 4.640 -0.004 0.000 0.213 173 D C 1.825 178.157 176.300 0.054 0.000 0.985 173 D CA 0.253 54.309 54.000 0.092 0.000 0.879 173 D CB -0.054 40.838 40.800 0.153 0.000 0.919 173 D HN 0.292 nan 8.370 nan 0.000 0.526 174 I N 1.413 122.011 120.570 0.047 0.000 2.151 174 I HA -0.243 3.924 4.170 -0.004 0.000 0.243 174 I C -0.576 175.558 176.117 0.030 0.000 1.080 174 I CA 1.366 62.683 61.300 0.029 0.000 1.339 174 I CB -1.233 36.784 38.000 0.028 0.000 1.039 174 I HN 0.019 nan 8.210 nan 0.000 0.409 175 P HA -0.208 nan 4.420 nan 0.000 0.216 175 P C 1.427 178.794 177.300 0.111 0.000 1.150 175 P CA 1.625 64.764 63.100 0.066 0.000 0.837 175 P CB -0.055 31.677 31.700 0.054 0.000 0.786 176 H N -0.531 118.540 119.070 0.001 0.000 2.307 176 H HA -0.001 4.553 4.556 -0.004 0.000 0.303 176 H C 1.821 177.148 175.328 -0.001 0.000 1.073 176 H CA 1.380 57.436 56.048 0.012 0.000 1.338 176 H CB -0.988 28.756 29.762 -0.031 0.000 1.389 176 H HN -0.072 nan 8.280 nan 0.000 0.503 177 L N 0.024 121.145 121.223 -0.170 0.000 2.017 177 L HA -0.159 4.178 4.340 -0.004 0.000 0.208 177 L C 2.523 179.281 176.870 -0.187 0.000 1.073 177 L CA 1.770 56.438 54.840 -0.286 0.000 0.745 177 L CB -0.515 41.394 42.059 -0.250 0.000 0.894 177 L HN 0.228 nan 8.230 nan 0.000 0.432 178 K N -0.039 120.306 120.400 -0.091 0.000 2.147 178 K HA -0.251 4.066 4.320 -0.004 0.000 0.205 178 K C 2.081 178.648 176.600 -0.055 0.000 1.049 178 K CA 1.452 57.699 56.287 -0.066 0.000 0.936 178 K CB -0.547 31.940 32.500 -0.022 0.000 0.722 178 K HN 0.282 nan 8.250 nan 0.000 0.446 179 Y N 0.572 120.804 120.300 -0.112 0.000 2.163 179 Y HA -0.093 4.455 4.550 -0.004 0.000 0.288 179 Y C 1.529 177.358 175.900 -0.119 0.000 1.136 179 Y CA 1.680 59.726 58.100 -0.090 0.000 1.147 179 Y CB -0.190 38.228 38.460 -0.071 0.000 0.987 179 Y HN 0.003 nan 8.280 nan 0.000 0.509 180 L N -0.799 120.190 121.223 -0.390 0.000 2.017 180 L HA -0.236 4.101 4.340 -0.004 0.000 0.208 180 L C 2.399 179.071 176.870 -0.331 0.000 1.073 180 L CA 1.910 56.489 54.840 -0.436 0.000 0.745 180 L CB -1.097 40.744 42.059 -0.364 0.000 0.894 180 L HN 0.210 nan 8.230 nan 0.000 0.432 181 T N -0.580 113.830 114.554 -0.239 0.000 2.684 181 T HA -0.192 4.156 4.350 -0.004 0.000 0.267 181 T C 1.415 176.068 174.700 -0.078 0.000 1.036 181 T CA 1.720 63.734 62.100 -0.143 0.000 1.148 181 T CB -0.250 68.537 68.868 -0.134 0.000 0.863 181 T HN 0.327 nan 8.240 nan 0.000 0.436 182 D N 0.903 121.228 120.400 -0.125 0.000 2.218 182 D HA -0.058 4.579 4.640 -0.004 0.000 0.204 182 D C 2.278 178.528 176.300 -0.083 0.000 0.976 182 D CA 0.695 54.651 54.000 -0.074 0.000 0.853 182 D CB -0.256 40.497 40.800 -0.079 0.000 0.939 182 D HN 0.251 nan 8.370 nan 0.000 0.481 183 Q N -0.562 119.104 119.800 -0.223 0.000 2.436 183 Q HA 0.087 4.424 4.340 -0.004 0.000 0.209 183 Q C 1.996 178.009 176.000 0.021 0.000 0.965 183 Q CA 0.434 56.127 55.803 -0.183 0.000 0.910 183 Q CB -0.058 28.465 28.738 -0.358 0.000 0.980 183 Q HN 0.450 nan 8.270 nan 0.000 0.491 184 M N -0.729 118.940 119.600 0.115 0.000 2.357 184 M HA -0.055 4.423 4.480 -0.004 0.000 0.266 184 M C 2.001 178.714 176.300 0.688 0.000 1.095 184 M CA 1.618 57.201 55.300 0.472 0.000 1.156 184 M CB -0.050 32.786 32.600 0.394 0.000 1.365 184 M HN 0.188 nan 8.290 nan 0.000 0.447 185 T N -1.315 113.476 114.554 0.394 0.000 2.939 185 T HA 0.078 4.425 4.350 -0.004 0.000 0.254 185 T C 1.099 175.937 174.700 0.230 0.000 1.041 185 T CA 0.354 62.613 62.100 0.265 0.000 1.142 185 T CB -0.029 68.950 68.868 0.184 0.000 0.874 185 T HN 0.277 nan 8.240 nan 0.000 0.452 186 R N 2.122 122.725 120.500 0.172 0.000 2.653 186 R HA 0.312 4.650 4.340 -0.004 0.000 0.269 186 R C -2.974 173.351 176.300 0.041 0.000 1.603 186 R CA -1.712 54.479 56.100 0.152 0.000 1.671 186 R CB 1.197 31.579 30.300 0.136 0.000 1.300 186 R HN 0.358 nan 8.270 nan 0.000 0.668 187 P HA -0.074 nan 4.420 nan 0.000 0.262 187 P C -0.359 176.905 177.300 -0.059 0.000 1.182 187 P CA 0.413 63.471 63.100 -0.070 0.000 0.761 187 P CB 0.847 32.479 31.700 -0.113 0.000 0.795 188 D N 1.758 122.146 120.400 -0.021 0.000 2.349 188 D HA 0.117 4.754 4.640 -0.004 0.000 0.214 188 D C 1.434 177.739 176.300 0.009 0.000 1.063 188 D CA 0.391 54.396 54.000 0.009 0.000 0.847 188 D CB -0.265 40.563 40.800 0.047 0.000 0.933 188 D HN 0.589 nan 8.370 nan 0.000 0.513 189 G N 0.144 108.942 108.800 -0.004 0.000 2.232 189 G HA2 -0.360 3.598 3.960 -0.004 0.000 0.226 189 G HA3 -0.360 3.598 3.960 -0.004 0.000 0.226 189 G C 1.336 176.255 174.900 0.031 0.000 0.996 189 G CA 0.580 45.683 45.100 0.005 0.000 0.626 189 G HN 0.593 nan 8.290 nan 0.000 0.509 190 S N -0.073 115.666 115.700 0.064 0.000 2.447 190 S HA 0.334 4.802 4.470 -0.004 0.000 0.233 190 S C 1.096 175.749 174.600 0.088 0.000 1.006 190 S CA 1.627 59.885 58.200 0.096 0.000 0.957 190 S CB -0.306 63.001 63.200 0.178 0.000 0.773 190 S HN 1.710 nan 8.310 nan 0.000 0.507 191 M N 0.235 119.868 119.600 0.055 0.000 2.471 191 M HA 0.497 4.974 4.480 -0.004 0.000 0.284 191 M C -0.793 175.509 176.300 0.005 0.000 1.203 191 M CA -0.870 54.448 55.300 0.030 0.000 0.915 191 M CB 1.637 34.262 32.600 0.042 0.000 1.734 191 M HN 0.040 nan 8.290 nan 0.000 0.485 192 T N -0.916 113.647 114.554 0.014 0.000 2.828 192 T HA 0.313 4.661 4.350 -0.004 0.000 0.290 192 T C 0.575 175.306 174.700 0.052 0.000 1.019 192 T CA -0.334 61.794 62.100 0.047 0.000 1.031 192 T CB 0.875 69.777 68.868 0.056 0.000 1.001 192 T HN 0.659 nan 8.240 nan 0.000 0.531 193 F N 1.595 121.548 119.950 0.006 0.000 2.126 193 F HA -0.002 4.523 4.527 -0.004 0.000 0.299 193 F C 2.559 178.320 175.800 -0.066 0.000 1.096 193 F CA 1.827 59.831 58.000 0.007 0.000 1.255 193 F CB -0.993 38.055 39.000 0.080 0.000 0.997 193 F HN 0.756 nan 8.300 nan 0.000 0.479 194 A N -0.017 122.832 122.820 0.048 0.000 1.908 194 A HA -0.234 4.084 4.320 -0.004 0.000 0.218 194 A C 2.104 179.587 177.584 -0.169 0.000 1.181 194 A CA 2.049 54.048 52.037 -0.063 0.000 0.627 194 A CB -0.887 18.131 19.000 0.031 0.000 0.818 194 A HN 0.574 nan 8.150 nan 0.000 0.445 195 E N -0.425 119.708 120.200 -0.113 0.000 2.107 195 E HA 0.006 4.353 4.350 -0.004 0.000 0.191 195 E C 2.318 178.820 176.600 -0.162 0.000 0.982 195 E CA 0.784 57.124 56.400 -0.100 0.000 0.809 195 E CB -0.270 29.408 29.700 -0.036 0.000 0.756 195 E HN 0.614 nan 8.360 nan 0.000 0.459 196 A N 1.761 124.438 122.820 -0.239 0.000 1.877 196 A HA -0.246 4.071 4.320 -0.004 0.000 0.216 196 A C 2.077 179.424 177.584 -0.394 0.000 1.186 196 A CA 1.620 53.478 52.037 -0.299 0.000 0.620 196 A CB -0.367 18.428 19.000 -0.342 0.000 0.822 196 A HN 0.047 nan 8.150 nan 0.000 0.443 197 K N -0.784 119.244 120.400 -0.620 0.000 2.057 197 K HA -0.187 4.131 4.320 -0.004 0.000 0.206 197 K C 1.937 178.177 176.600 -0.600 0.000 1.050 197 K CA 1.565 57.387 56.287 -0.775 0.000 0.935 197 K CB -0.124 31.704 32.500 -1.120 0.000 0.715 197 K HN 0.303 nan 8.250 nan 0.000 0.439 198 E N 0.539 120.516 120.200 -0.371 0.000 2.058 198 E HA -0.169 4.178 4.350 -0.004 0.000 0.194 198 E C 1.776 178.351 176.600 -0.042 0.000 0.997 198 E CA 1.540 57.850 56.400 -0.151 0.000 0.801 198 E CB -0.443 29.209 29.700 -0.080 0.000 0.746 198 E HN 0.421 nan 8.360 nan 0.000 0.450 199 A N 0.250 123.039 122.820 -0.051 0.000 1.969 199 A HA -0.121 4.197 4.320 -0.004 0.000 0.218 199 A C 2.141 179.776 177.584 0.085 0.000 1.169 199 A CA 1.257 53.323 52.037 0.049 0.000 0.635 199 A CB -0.443 18.588 19.000 0.052 0.000 0.810 199 A HN 0.275 nan 8.150 nan 0.000 0.445 200 L N -1.975 119.235 121.223 -0.023 0.000 2.131 200 L HA 0.008 4.346 4.340 -0.004 0.000 0.206 200 L C 2.089 179.123 176.870 0.273 0.000 1.087 200 L CA 1.622 56.500 54.840 0.062 0.000 0.767 200 L CB -0.730 41.298 42.059 -0.051 0.000 0.917 200 L HN 0.412 nan 8.230 nan 0.000 0.441 201 Y N -0.212 120.115 120.300 0.045 0.000 2.293 201 Y HA -0.159 4.389 4.550 -0.004 0.000 0.291 201 Y C 2.475 178.414 175.900 0.065 0.000 1.137 201 Y CA 1.085 59.210 58.100 0.042 0.000 1.202 201 Y CB -0.879 37.564 38.460 -0.027 0.000 0.990 201 Y HN 0.404 nan 8.280 nan 0.000 0.537 202 D N -1.121 119.421 120.400 0.238 0.000 2.144 202 D HA -0.228 4.409 4.640 -0.004 0.000 0.200 202 D C 2.145 178.557 176.300 0.187 0.000 0.978 202 D CA 0.902 55.003 54.000 0.169 0.000 0.833 202 D CB -0.321 40.564 40.800 0.142 0.000 0.961 202 D HN 0.301 nan 8.370 nan 0.000 0.470 203 Y N 0.715 121.089 120.300 0.124 0.000 2.114 203 Y HA -0.106 4.441 4.550 -0.004 0.000 0.284 203 Y C 1.911 177.867 175.900 0.092 0.000 1.143 203 Y CA 1.579 59.752 58.100 0.122 0.000 1.135 203 Y CB -0.356 38.203 38.460 0.165 0.000 0.980 203 Y HN -0.000 nan 8.280 nan 0.000 0.499 204 L N -0.350 120.957 121.223 0.139 0.000 2.027 204 L HA -0.211 4.127 4.340 -0.004 0.000 0.206 204 L C 2.477 179.308 176.870 -0.065 0.000 1.074 204 L CA 1.312 56.150 54.840 -0.003 0.000 0.745 204 L CB -0.694 41.456 42.059 0.152 0.000 0.898 204 L HN 0.287 nan 8.230 nan 0.000 0.433 205 I N 0.197 120.753 120.570 -0.023 0.000 2.132 205 I HA -0.348 3.819 4.170 -0.004 0.000 0.238 205 I C -0.330 175.749 176.117 -0.062 0.000 1.012 205 I CA 2.128 63.403 61.300 -0.043 0.000 1.288 205 I CB -1.605 36.383 38.000 -0.020 0.000 0.997 205 I HN 0.244 nan 8.210 nan 0.000 0.402 206 P HA -0.113 nan 4.420 nan 0.000 0.220 206 P C 1.687 178.929 177.300 -0.098 0.000 1.148 206 P CA 1.453 64.504 63.100 -0.080 0.000 0.803 206 P CB 0.008 31.656 31.700 -0.086 0.000 0.782 207 I N -1.441 119.047 120.570 -0.138 0.000 2.277 207 I HA -0.162 4.005 4.170 -0.004 0.000 0.243 207 I C 2.262 178.333 176.117 -0.077 0.000 1.094 207 I CA 1.129 62.352 61.300 -0.129 0.000 1.393 207 I CB -0.457 37.430 38.000 -0.188 0.000 1.078 207 I HN -0.159 nan 8.210 nan 0.000 0.417 208 I N 0.639 121.169 120.570 -0.066 0.000 2.208 208 I HA -0.315 3.853 4.170 -0.004 0.000 0.245 208 I C 2.622 178.715 176.117 -0.040 0.000 1.097 208 I CA 1.593 62.867 61.300 -0.044 0.000 1.363 208 I CB -0.356 37.620 38.000 -0.040 0.000 1.051 208 I HN 0.338 nan 8.210 nan 0.000 0.413 209 E N 0.501 120.674 120.200 -0.044 0.000 2.106 209 E HA -0.269 4.079 4.350 -0.004 0.000 0.192 209 E C 2.157 178.737 176.600 -0.034 0.000 0.984 209 E CA 1.111 57.490 56.400 -0.036 0.000 0.806 209 E CB 0.174 29.853 29.700 -0.035 0.000 0.750 209 E HN 0.392 nan 8.360 nan 0.000 0.458 210 Q N 0.376 120.152 119.800 -0.041 0.000 2.046 210 Q HA -0.064 4.274 4.340 -0.004 0.000 0.200 210 Q C 1.963 177.943 176.000 -0.033 0.000 0.975 210 Q CA 1.335 57.115 55.803 -0.038 0.000 0.836 210 Q CB -0.093 28.617 28.738 -0.047 0.000 0.896 210 Q HN 0.055 nan 8.270 nan 0.000 0.428 211 R N -0.336 120.143 120.500 -0.035 0.000 2.307 211 R HA 0.117 4.455 4.340 -0.004 0.000 0.199 211 R C 1.546 177.832 176.300 -0.023 0.000 1.000 211 R CA 0.439 56.522 56.100 -0.029 0.000 1.023 211 R CB 0.143 30.425 30.300 -0.030 0.000 0.908 211 R HN 0.067 nan 8.270 nan 0.000 0.473 212 R N -0.511 119.976 120.500 -0.023 0.000 2.297 212 R HA 0.058 4.396 4.340 -0.004 0.000 0.197 212 R C 1.158 177.448 176.300 -0.017 0.000 0.943 212 R CA 0.660 56.749 56.100 -0.018 0.000 1.038 212 R CB 0.374 30.663 30.300 -0.018 0.000 0.957 212 R HN 0.329 nan 8.270 nan 0.000 0.484 213 Q N -0.703 119.086 119.800 -0.019 0.000 2.391 213 Q HA 0.131 4.469 4.340 -0.004 0.000 0.243 213 Q C 0.201 176.192 176.000 -0.016 0.000 0.874 213 Q CA 0.443 56.236 55.803 -0.017 0.000 0.950 213 Q CB 0.963 29.691 28.738 -0.018 0.000 1.103 213 Q HN -0.054 nan 8.270 nan 0.000 0.544 214 K N 1.672 122.061 120.400 -0.018 0.000 2.842 214 K HA 0.313 4.630 4.320 -0.004 0.000 0.176 214 K C -2.738 173.851 176.600 -0.018 0.000 1.080 214 K CA -1.462 54.815 56.287 -0.017 0.000 0.954 214 K CB 1.636 34.125 32.500 -0.018 0.000 1.203 214 K HN -0.072 nan 8.250 nan 0.000 0.611 215 P HA -0.081 nan 4.420 nan 0.000 0.257 215 P C 0.258 177.548 177.300 -0.018 0.000 1.189 215 P CA 0.394 63.484 63.100 -0.017 0.000 0.780 215 P CB 0.769 32.460 31.700 -0.015 0.000 0.772 216 G N 2.050 110.837 108.800 -0.021 0.000 2.574 216 G HA2 0.359 4.316 3.960 -0.004 0.000 0.248 216 G HA3 0.359 4.316 3.960 -0.004 0.000 0.248 216 G C 0.580 175.466 174.900 -0.023 0.000 1.422 216 G CA -0.157 44.929 45.100 -0.022 0.000 1.051 216 G HN 0.389 nan 8.290 nan 0.000 0.560 217 T N -1.403 113.135 114.554 -0.026 0.000 3.044 217 T HA 0.173 4.521 4.350 -0.004 0.000 0.260 217 T C 0.428 175.106 174.700 -0.036 0.000 1.019 217 T CA 0.242 62.326 62.100 -0.027 0.000 0.921 217 T CB -0.103 68.750 68.868 -0.024 0.000 1.053 217 T HN 0.584 nan 8.240 nan 0.000 0.533 218 D N 1.653 122.027 120.400 -0.044 0.000 2.363 218 D HA 0.252 4.890 4.640 -0.004 0.000 0.240 218 D C 1.509 177.773 176.300 -0.060 0.000 1.236 218 D CA 0.037 53.999 54.000 -0.063 0.000 0.927 218 D CB 0.978 41.737 40.800 -0.069 0.000 1.150 218 D HN 0.114 nan 8.370 nan 0.000 0.458 219 A N 0.929 123.699 122.820 -0.085 0.000 1.933 219 A HA -0.149 4.168 4.320 -0.004 0.000 0.218 219 A C 2.303 179.867 177.584 -0.033 0.000 1.175 219 A CA 0.973 52.973 52.037 -0.061 0.000 0.628 219 A CB -0.536 18.407 19.000 -0.094 0.000 0.814 219 A HN 0.616 nan 8.150 nan 0.000 0.444 220 I N 0.243 120.789 120.570 -0.041 0.000 2.127 220 I HA -0.193 3.974 4.170 -0.004 0.000 0.241 220 I C 2.618 178.728 176.117 -0.012 0.000 1.075 220 I CA 1.887 63.179 61.300 -0.012 0.000 1.334 220 I CB -1.577 36.414 38.000 -0.015 0.000 1.040 220 I HN 0.244 nan 8.210 nan 0.000 0.405 221 S N 1.035 116.722 115.700 -0.022 0.000 2.370 221 S HA -0.113 4.355 4.470 -0.004 0.000 0.226 221 S C 2.006 176.599 174.600 -0.012 0.000 1.033 221 S CA 1.024 59.213 58.200 -0.019 0.000 1.011 221 S CB -0.183 63.003 63.200 -0.023 0.000 0.852 221 S HN 0.278 nan 8.310 nan 0.000 0.457 222 I N 1.240 121.802 120.570 -0.012 0.000 2.361 222 I HA -0.071 4.097 4.170 -0.004 0.000 0.251 222 I C 2.153 178.274 176.117 0.006 0.000 1.133 222 I CA 0.999 62.295 61.300 -0.006 0.000 1.413 222 I CB -1.378 36.617 38.000 -0.008 0.000 1.073 222 I HN 0.174 nan 8.210 nan 0.000 0.424 223 V N 1.045 120.967 119.914 0.014 0.000 2.535 223 V HA -0.060 4.057 4.120 -0.004 0.000 0.246 223 V C 2.761 178.871 176.094 0.027 0.000 1.045 223 V CA 1.321 63.640 62.300 0.032 0.000 1.058 223 V CB -0.844 31.007 31.823 0.047 0.000 0.689 223 V HN 0.399 nan 8.190 nan 0.000 0.461 224 A N 0.658 123.486 122.820 0.013 0.000 1.972 224 A HA -0.214 4.104 4.320 -0.004 0.000 0.219 224 A C 1.771 179.357 177.584 0.004 0.000 1.169 224 A CA 2.234 54.275 52.037 0.006 0.000 0.635 224 A CB -0.606 18.390 19.000 -0.006 0.000 0.810 224 A HN 0.676 nan 8.150 nan 0.000 0.446 225 N N -0.754 117.947 118.700 0.001 0.000 2.235 225 N HA 0.300 5.037 4.740 -0.004 0.000 0.209 225 N C 0.754 176.264 175.510 -0.001 0.000 1.122 225 N CA 0.309 53.358 53.050 -0.002 0.000 0.845 225 N CB 0.580 39.062 38.487 -0.007 0.000 1.004 225 N HN 0.434 nan 8.380 nan 0.000 0.499 226 G N -0.072 108.732 108.800 0.006 0.000 2.621 226 G HA2 0.319 4.276 3.960 -0.004 0.000 0.271 226 G HA3 0.319 4.276 3.960 -0.004 0.000 0.271 226 G C -0.456 174.441 174.900 -0.005 0.000 1.236 226 G CA -0.298 44.803 45.100 0.003 0.000 0.958 226 G HN 0.081 nan 8.290 nan 0.000 0.512 227 Q N -1.345 118.442 119.800 -0.022 0.000 2.372 227 Q HA 0.473 4.810 4.340 -0.004 0.000 0.273 227 Q C -1.013 174.935 176.000 -0.086 0.000 1.078 227 Q CA -0.918 54.858 55.803 -0.044 0.000 0.806 227 Q CB 2.800 31.512 28.738 -0.043 0.000 1.332 227 Q HN 0.491 nan 8.270 nan 0.000 0.435 228 V N 0.373 120.201 119.914 -0.144 0.000 2.347 228 V HA 0.319 4.437 4.120 -0.004 0.000 0.280 228 V C 0.331 176.297 176.094 -0.213 0.000 1.021 228 V CA -0.982 61.156 62.300 -0.271 0.000 0.847 228 V CB 1.096 32.551 31.823 -0.614 0.000 0.990 228 V HN 0.995 nan 8.190 nan 0.000 0.444 229 N N 3.209 121.806 118.700 -0.172 0.000 2.702 229 N HA -0.277 4.460 4.740 -0.004 0.000 0.255 229 N C 0.935 176.391 175.510 -0.091 0.000 0.983 229 N CA 1.818 54.796 53.050 -0.120 0.000 0.768 229 N CB -1.382 37.030 38.487 -0.125 0.000 0.918 229 N HN 2.284 nan 8.380 nan 0.000 0.540 230 G N -0.898 107.856 108.800 -0.077 0.000 2.336 230 G HA2 -0.376 3.582 3.960 -0.004 0.000 0.233 230 G HA3 -0.376 3.582 3.960 -0.004 0.000 0.233 230 G C 0.123 174.993 174.900 -0.050 0.000 1.053 230 G CA 0.820 45.886 45.100 -0.056 0.000 0.625 230 G HN 1.077 nan 8.290 nan 0.000 0.511 231 R N 1.174 121.638 120.500 -0.061 0.000 2.500 231 R HA 0.701 5.038 4.340 -0.004 0.000 0.277 231 R C -2.976 173.300 176.300 -0.040 0.000 1.026 231 R CA -2.262 53.812 56.100 -0.043 0.000 1.058 231 R CB -0.073 30.204 30.300 -0.038 0.000 1.078 231 R HN 0.169 nan 8.270 nan 0.000 0.509 232 P HA 0.017 nan 4.420 nan 0.000 0.268 232 P C -0.404 176.902 177.300 0.010 0.000 1.204 232 P CA -0.080 63.016 63.100 -0.007 0.000 0.768 232 P CB 0.494 32.192 31.700 -0.004 0.000 0.842 233 I N 2.565 123.149 120.570 0.024 0.000 2.519 233 I HA 0.119 4.286 4.170 -0.004 0.000 0.287 233 I C 0.813 176.962 176.117 0.053 0.000 1.047 233 I CA -0.182 61.159 61.300 0.069 0.000 1.381 233 I CB 0.957 39.012 38.000 0.091 0.000 1.417 233 I HN 0.402 nan 8.210 nan 0.000 0.540 234 T N 2.343 116.937 114.554 0.066 0.000 2.828 234 T HA 0.136 4.484 4.350 -0.004 0.000 0.290 234 T C 1.050 175.754 174.700 0.007 0.000 1.019 234 T CA -0.504 61.613 62.100 0.029 0.000 1.031 234 T CB 1.456 70.339 68.868 0.024 0.000 1.001 234 T HN 0.650 nan 8.240 nan 0.000 0.531 235 S N 0.348 116.039 115.700 -0.015 0.000 2.382 235 S HA -0.097 4.370 4.470 -0.004 0.000 0.228 235 S C 1.656 176.216 174.600 -0.065 0.000 1.027 235 S CA 1.429 59.609 58.200 -0.034 0.000 0.991 235 S CB -0.590 62.588 63.200 -0.037 0.000 0.823 235 S HN 0.924 nan 8.310 nan 0.000 0.469 236 D N 0.771 121.127 120.400 -0.074 0.000 2.123 236 D HA -0.055 4.582 4.640 -0.004 0.000 0.200 236 D C 1.996 178.212 176.300 -0.140 0.000 0.976 236 D CA 0.956 54.879 54.000 -0.129 0.000 0.831 236 D CB -0.007 40.728 40.800 -0.109 0.000 0.974 236 D HN 0.390 nan 8.370 nan 0.000 0.469 237 E N -0.305 119.853 120.200 -0.069 0.000 2.077 237 E HA -0.161 4.186 4.350 -0.004 0.000 0.193 237 E C 2.029 178.602 176.600 -0.045 0.000 0.989 237 E CA 0.993 57.357 56.400 -0.060 0.000 0.800 237 E CB -0.105 29.642 29.700 0.079 0.000 0.746 237 E HN 0.309 nan 8.360 nan 0.000 0.452 238 A N 1.326 124.138 122.820 -0.014 0.000 1.972 238 A HA -0.233 4.085 4.320 -0.004 0.000 0.219 238 A C 2.015 179.580 177.584 -0.031 0.000 1.169 238 A CA 1.640 53.678 52.037 0.002 0.000 0.635 238 A CB -0.340 18.663 19.000 0.005 0.000 0.810 238 A HN 0.100 nan 8.150 nan 0.000 0.446 239 K N -0.229 120.104 120.400 -0.112 0.000 2.025 239 K HA -0.122 4.196 4.320 -0.004 0.000 0.207 239 K C 2.165 178.650 176.600 -0.192 0.000 1.049 239 K CA 1.239 57.415 56.287 -0.185 0.000 0.933 239 K CB -0.220 32.066 32.500 -0.357 0.000 0.714 239 K HN 0.414 nan 8.250 nan 0.000 0.438 240 R N 0.239 120.578 120.500 -0.268 0.000 2.127 240 R HA -0.129 4.209 4.340 -0.004 0.000 0.238 240 R C 2.406 178.809 176.300 0.173 0.000 1.134 240 R CA 1.826 57.892 56.100 -0.056 0.000 0.975 240 R CB -0.300 29.920 30.300 -0.134 0.000 0.865 240 R HN 0.400 nan 8.270 nan 0.000 0.447 241 M N -0.191 119.448 119.600 0.065 0.000 2.191 241 M HA -0.098 4.379 4.480 -0.004 0.000 0.262 241 M C 1.987 178.347 176.300 0.099 0.000 1.083 241 M CA 1.520 56.873 55.300 0.087 0.000 1.154 241 M CB -0.010 32.639 32.600 0.081 0.000 1.344 241 M HN 0.166 nan 8.290 nan 0.000 0.431 242 C N 1.006 120.364 119.300 0.097 0.000 2.413 242 C HA -0.063 4.394 4.460 -0.004 0.000 0.277 242 C C 2.775 177.846 174.990 0.135 0.000 1.265 242 C CA 1.049 60.138 59.018 0.119 0.000 1.752 242 C CB -1.987 25.818 27.740 0.108 0.000 1.998 242 C HN 0.839 nan 8.230 nan 0.000 0.489 243 G N 0.132 109.058 108.800 0.210 0.000 2.422 243 G HA2 -0.209 3.749 3.960 -0.004 0.000 0.218 243 G HA3 -0.209 3.749 3.960 -0.004 0.000 0.218 243 G C 1.564 176.283 174.900 -0.301 0.000 1.146 243 G CA 0.931 46.168 45.100 0.229 0.000 0.769 243 G HN 0.530 nan 8.290 nan 0.000 0.547 244 L N 0.144 121.130 121.223 -0.394 0.000 2.072 244 L HA 0.172 4.510 4.340 -0.004 0.000 0.205 244 L C 2.727 179.402 176.870 -0.324 0.000 1.079 244 L CA 1.021 55.447 54.840 -0.689 0.000 0.752 244 L CB -0.206 41.649 42.059 -0.339 0.000 0.906 244 L HN 0.162 nan 8.230 nan 0.000 0.436 245 L N -0.968 120.192 121.223 -0.104 0.000 2.043 245 L HA -0.263 4.074 4.340 -0.004 0.000 0.212 245 L C 2.546 179.327 176.870 -0.148 0.000 1.075 245 L CA 0.885 55.727 54.840 0.003 0.000 0.752 245 L CB -0.725 41.449 42.059 0.191 0.000 0.891 245 L HN 0.354 nan 8.230 nan 0.000 0.432 246 L N -0.353 120.806 121.223 -0.107 0.000 2.012 246 L HA -0.238 4.100 4.340 -0.004 0.000 0.210 246 L C 2.552 179.159 176.870 -0.437 0.000 1.073 246 L CA 1.775 56.464 54.840 -0.252 0.000 0.748 246 L CB -0.852 41.193 42.059 -0.023 0.000 0.891 246 L HN 0.275 nan 8.230 nan 0.000 0.431 247 L N 0.182 121.183 121.223 -0.370 0.000 2.046 247 L HA -0.070 4.268 4.340 -0.004 0.000 0.208 247 L C 2.368 179.080 176.870 -0.263 0.000 1.077 247 L CA 2.138 56.789 54.840 -0.314 0.000 0.747 247 L CB -1.230 40.589 42.059 -0.400 0.000 0.896 247 L HN 0.234 nan 8.230 nan 0.000 0.432 248 G N -1.507 107.133 108.800 -0.266 0.000 2.471 248 G HA2 -0.131 3.827 3.960 -0.004 0.000 0.219 248 G HA3 -0.131 3.827 3.960 -0.004 0.000 0.219 248 G C 1.414 176.137 174.900 -0.294 0.000 1.125 248 G CA 0.524 45.511 45.100 -0.188 0.000 0.775 248 G HN 0.596 nan 8.290 nan 0.000 0.548 249 G N 0.105 108.521 108.800 -0.641 0.000 2.539 249 G HA2 0.137 4.095 3.960 -0.004 0.000 0.215 249 G HA3 0.137 4.095 3.960 -0.004 0.000 0.215 249 G C 1.449 176.025 174.900 -0.540 0.000 1.141 249 G CA 0.246 44.816 45.100 -0.883 0.000 0.806 249 G HN 0.310 nan 8.290 nan 0.000 0.533 250 L N -0.147 120.806 121.223 -0.450 0.000 2.463 250 L HA 0.347 4.684 4.340 -0.004 0.000 0.219 250 L C 0.628 177.420 176.870 -0.130 0.000 1.088 250 L CA 0.792 55.489 54.840 -0.238 0.000 0.849 250 L CB 0.537 42.466 42.059 -0.216 0.000 1.012 250 L HN 0.026 nan 8.230 nan 0.000 0.468 251 D N -1.758 118.576 120.400 -0.110 0.000 2.957 251 D HA 0.172 4.809 4.640 -0.004 0.000 0.352 251 D C 0.898 177.198 176.300 -0.001 0.000 1.352 251 D CA 0.605 54.583 54.000 -0.037 0.000 0.831 251 D CB 0.402 41.195 40.800 -0.011 0.000 1.147 251 D HN 0.257 nan 8.370 nan 0.000 0.467 252 T N -4.297 110.257 114.554 0.000 0.000 3.426 252 T HA 0.076 4.424 4.350 -0.004 0.000 0.195 252 T C 1.810 176.570 174.700 0.100 0.000 0.963 252 T CA 0.411 62.535 62.100 0.039 0.000 1.154 252 T CB -0.476 68.405 68.868 0.021 0.000 1.377 252 T HN -0.155 nan 8.240 nan 0.000 0.342 253 V N 2.498 122.472 119.914 0.101 0.000 2.282 253 V HA -0.197 3.920 4.120 -0.004 0.000 0.249 253 V C 2.913 179.115 176.094 0.180 0.000 1.057 253 V CA 1.976 64.382 62.300 0.178 0.000 1.032 253 V CB -1.130 30.764 31.823 0.119 0.000 0.645 253 V HN 0.463 nan 8.190 nan 0.000 0.447 254 V N 0.777 120.740 119.914 0.082 0.000 2.222 254 V HA -0.379 3.738 4.120 -0.004 0.000 0.252 254 V C 2.321 178.455 176.094 0.066 0.000 1.060 254 V CA 2.668 64.996 62.300 0.047 0.000 1.027 254 V CB -0.911 30.909 31.823 -0.006 0.000 0.644 254 V HN 0.617 nan 8.190 nan 0.000 0.448 255 N N -0.813 117.923 118.700 0.060 0.000 2.188 255 N HA -0.151 4.586 4.740 -0.004 0.000 0.184 255 N C 1.744 177.300 175.510 0.078 0.000 1.018 255 N CA 1.725 54.778 53.050 0.005 0.000 0.858 255 N CB -0.432 38.073 38.487 0.029 0.000 0.989 255 N HN 0.589 nan 8.380 nan 0.000 0.426 256 F N 1.968 121.990 119.950 0.121 0.000 2.134 256 F HA -0.051 4.473 4.527 -0.004 0.000 0.299 256 F C 2.147 178.041 175.800 0.157 0.000 1.097 256 F CA 0.874 58.998 58.000 0.207 0.000 1.264 256 F CB -0.181 38.894 39.000 0.126 0.000 1.001 256 F HN -0.092 nan 8.300 nan 0.000 0.479 257 L N -0.647 120.666 121.223 0.150 0.000 2.042 257 L HA -0.275 4.063 4.340 -0.004 0.000 0.210 257 L C 2.618 179.489 176.870 0.002 0.000 1.076 257 L CA 1.533 56.447 54.840 0.124 0.000 0.749 257 L CB -0.997 41.306 42.059 0.406 0.000 0.893 257 L HN 0.091 nan 8.230 nan 0.000 0.432 258 S N -0.684 115.039 115.700 0.039 0.000 2.368 258 S HA -0.141 4.326 4.470 -0.004 0.000 0.225 258 S C 1.778 176.173 174.600 -0.343 0.000 1.030 258 S CA 1.303 59.455 58.200 -0.079 0.000 0.999 258 S CB -0.288 62.834 63.200 -0.131 0.000 0.844 258 S HN 0.221 nan 8.310 nan 0.000 0.459 259 F N 2.056 121.774 119.950 -0.387 0.000 2.102 259 F HA -0.103 4.422 4.527 -0.004 0.000 0.298 259 F C 2.769 177.996 175.800 -0.956 0.000 1.105 259 F CA 1.080 58.704 58.000 -0.627 0.000 1.239 259 F CB -1.004 37.642 39.000 -0.590 0.000 0.991 259 F HN 0.108 nan 8.300 nan 0.000 0.474 260 S N -0.202 115.054 115.700 -0.740 0.000 2.348 260 S HA -0.252 4.216 4.470 -0.004 0.000 0.221 260 S C 1.997 176.365 174.600 -0.387 0.000 1.033 260 S CA 1.502 59.318 58.200 -0.639 0.000 1.010 260 S CB -0.505 62.368 63.200 -0.545 0.000 0.891 260 S HN 0.244 nan 8.310 nan 0.000 0.442 261 M N 1.763 121.072 119.600 -0.485 0.000 2.213 261 M HA -0.045 4.432 4.480 -0.004 0.000 0.263 261 M C 1.948 178.017 176.300 -0.385 0.000 1.062 261 M CA 1.311 56.252 55.300 -0.598 0.000 1.105 261 M CB -0.419 31.354 32.600 -1.377 0.000 1.385 261 M HN 0.371 nan 8.290 nan 0.000 0.417 262 E N -0.947 119.050 120.200 -0.338 0.000 2.031 262 E HA -0.256 4.091 4.350 -0.004 0.000 0.193 262 E C 1.992 178.512 176.600 -0.133 0.000 0.994 262 E CA 1.603 57.897 56.400 -0.176 0.000 0.800 262 E CB -0.429 29.219 29.700 -0.088 0.000 0.752 262 E HN 0.530 nan 8.360 nan 0.000 0.447 263 F N 1.482 121.247 119.950 -0.308 0.000 2.091 263 F HA -0.220 4.305 4.527 -0.004 0.000 0.299 263 F C 1.980 177.686 175.800 -0.157 0.000 1.103 263 F CA 1.497 59.368 58.000 -0.215 0.000 1.228 263 F CB -0.219 38.598 39.000 -0.305 0.000 0.984 263 F HN 0.019 nan 8.300 nan 0.000 0.477 264 L N 0.084 121.155 121.223 -0.253 0.000 2.083 264 L HA -0.198 4.139 4.340 -0.004 0.000 0.209 264 L C 2.842 179.460 176.870 -0.420 0.000 1.083 264 L CA 1.133 55.789 54.840 -0.307 0.000 0.752 264 L CB -1.151 40.878 42.059 -0.049 0.000 0.899 264 L HN 0.308 nan 8.230 nan 0.000 0.433 265 A N -0.017 122.665 122.820 -0.230 0.000 1.972 265 A HA -0.189 4.128 4.320 -0.004 0.000 0.219 265 A C 2.118 179.564 177.584 -0.231 0.000 1.169 265 A CA 1.471 53.395 52.037 -0.190 0.000 0.635 265 A CB -0.252 18.804 19.000 0.093 0.000 0.810 265 A HN 0.365 nan 8.150 nan 0.000 0.446 266 K N -0.782 119.456 120.400 -0.269 0.000 2.404 266 K HA 0.160 4.477 4.320 -0.004 0.000 0.194 266 K C 0.065 176.469 176.600 -0.326 0.000 1.023 266 K CA 0.369 56.514 56.287 -0.237 0.000 1.094 266 K CB 0.317 32.717 32.500 -0.166 0.000 0.841 266 K HN 0.214 nan 8.250 nan 0.000 0.523 267 S N 1.080 116.500 115.700 -0.467 0.000 2.383 267 S HA 0.266 4.733 4.470 -0.004 0.000 0.196 267 S C -2.380 172.076 174.600 -0.240 0.000 1.364 267 S CA -1.555 56.413 58.200 -0.387 0.000 1.212 267 S CB 0.789 63.598 63.200 -0.651 0.000 1.171 267 S HN -0.130 nan 8.310 nan 0.000 0.456 268 P HA -0.105 nan 4.420 nan 0.000 0.216 268 P C 1.193 178.448 177.300 -0.076 0.000 1.150 268 P CA 1.019 64.036 63.100 -0.140 0.000 0.843 268 P CB 0.277 31.912 31.700 -0.107 0.000 0.787 269 E N -1.601 118.569 120.200 -0.050 0.000 2.070 269 E HA -0.231 4.117 4.350 -0.004 0.000 0.197 269 E C 1.924 178.467 176.600 -0.095 0.000 1.004 269 E CA 1.487 57.847 56.400 -0.067 0.000 0.805 269 E CB -0.648 29.006 29.700 -0.076 0.000 0.744 269 E HN 0.421 nan 8.360 nan 0.000 0.451 270 H N -0.555 118.492 119.070 -0.040 0.000 2.326 270 H HA 0.059 4.613 4.556 -0.004 0.000 0.301 270 H C 2.089 177.530 175.328 0.187 0.000 1.081 270 H CA 1.499 57.599 56.048 0.086 0.000 1.334 270 H CB 0.102 29.914 29.762 0.084 0.000 1.385 270 H HN 0.007 nan 8.280 nan 0.000 0.504 271 R N 0.321 120.904 120.500 0.139 0.000 2.094 271 R HA -0.181 4.157 4.340 -0.004 0.000 0.239 271 R C 2.213 178.546 176.300 0.055 0.000 1.137 271 R CA 1.414 57.544 56.100 0.050 0.000 0.943 271 R CB -0.247 29.972 30.300 -0.135 0.000 0.850 271 R HN 0.385 nan 8.270 nan 0.000 0.433 272 Q N 0.669 120.478 119.800 0.016 0.000 2.096 272 Q HA -0.218 4.119 4.340 -0.004 0.000 0.204 272 Q C 1.932 177.958 176.000 0.042 0.000 0.982 272 Q CA 1.568 57.379 55.803 0.015 0.000 0.850 272 Q CB -0.221 28.512 28.738 -0.009 0.000 0.901 272 Q HN 0.483 nan 8.270 nan 0.000 0.422 273 E N 0.098 120.337 120.200 0.066 0.000 2.085 273 E HA -0.180 4.168 4.350 -0.004 0.000 0.194 273 E C 1.982 178.650 176.600 0.114 0.000 0.994 273 E CA 0.980 57.438 56.400 0.096 0.000 0.801 273 E CB -0.086 29.701 29.700 0.144 0.000 0.743 273 E HN 0.322 nan 8.360 nan 0.000 0.453 274 L N 0.404 121.711 121.223 0.141 0.000 2.291 274 L HA -0.063 4.274 4.340 -0.004 0.000 0.214 274 L C 2.381 179.283 176.870 0.053 0.000 1.120 274 L CA 0.321 55.208 54.840 0.077 0.000 0.799 274 L CB -0.187 41.909 42.059 0.061 0.000 0.925 274 L HN 0.239 nan 8.230 nan 0.000 0.446 275 I N -0.102 120.501 120.570 0.054 0.000 2.162 275 I HA -0.228 3.940 4.170 -0.004 0.000 0.238 275 I C 2.420 178.555 176.117 0.030 0.000 1.076 275 I CA 1.350 62.672 61.300 0.038 0.000 1.353 275 I CB -0.129 37.888 38.000 0.029 0.000 1.063 275 I HN 0.219 nan 8.210 nan 0.000 0.408 276 E N 0.540 120.757 120.200 0.030 0.000 2.106 276 E HA -0.099 4.249 4.350 -0.004 0.000 0.192 276 E C 0.485 177.102 176.600 0.028 0.000 0.984 276 E CA 0.740 57.155 56.400 0.025 0.000 0.806 276 E CB 0.140 29.853 29.700 0.022 0.000 0.750 276 E HN 0.261 nan 8.360 nan 0.000 0.458 277 R N 1.045 121.566 120.500 0.036 0.000 2.587 277 R HA 0.143 4.481 4.340 -0.004 0.000 0.283 277 R C -2.035 174.283 176.300 0.029 0.000 1.472 277 R CA -1.609 54.512 56.100 0.034 0.000 1.578 277 R CB 0.618 30.944 30.300 0.043 0.000 1.130 277 R HN 0.123 nan 8.270 nan 0.000 0.602 278 P HA -0.218 nan 4.420 nan 0.000 0.217 278 P C 0.887 178.194 177.300 0.011 0.000 1.148 278 P CA 1.277 64.388 63.100 0.017 0.000 0.828 278 P CB 0.384 32.095 31.700 0.019 0.000 0.783 279 E N 0.876 121.085 120.200 0.015 0.000 2.401 279 E HA -0.166 4.181 4.350 -0.004 0.000 0.199 279 E C 1.710 178.315 176.600 0.009 0.000 1.023 279 E CA 0.750 57.159 56.400 0.015 0.000 0.859 279 E CB -0.752 28.960 29.700 0.019 0.000 0.780 279 E HN 0.322 nan 8.360 nan 0.000 0.523 280 R N 0.231 120.731 120.500 0.001 0.000 2.276 280 R HA 0.238 4.576 4.340 -0.004 0.000 0.196 280 R C 2.395 178.642 176.300 -0.087 0.000 0.961 280 R CA 0.210 56.299 56.100 -0.017 0.000 1.024 280 R CB -0.136 30.172 30.300 0.013 0.000 0.940 280 R HN 0.207 nan 8.270 nan 0.000 0.480 281 I N 1.590 122.113 120.570 -0.078 0.000 2.113 281 I HA -0.288 3.880 4.170 -0.004 0.000 0.242 281 I C -0.800 175.270 176.117 -0.079 0.000 1.057 281 I CA 1.836 63.073 61.300 -0.104 0.000 1.314 281 I CB -1.490 36.489 38.000 -0.034 0.000 1.022 281 I HN 0.071 nan 8.210 nan 0.000 0.408 282 P HA -0.195 nan 4.420 nan 0.000 0.213 282 P C 1.623 178.928 177.300 0.009 0.000 1.170 282 P CA 2.122 65.230 63.100 0.013 0.000 0.898 282 P CB -0.091 31.627 31.700 0.030 0.000 0.787 283 A N -0.011 122.812 122.820 0.006 0.000 1.927 283 A HA -0.241 4.076 4.320 -0.004 0.000 0.220 283 A C 2.347 179.939 177.584 0.013 0.000 1.185 283 A CA 2.586 54.644 52.037 0.034 0.000 0.639 283 A CB -1.770 17.261 19.000 0.052 0.000 0.820 283 A HN 0.217 nan 8.150 nan 0.000 0.451 284 A N -1.212 121.514 122.820 -0.157 0.000 1.972 284 A HA -0.187 4.131 4.320 -0.004 0.000 0.219 284 A C 2.390 179.902 177.584 -0.121 0.000 1.169 284 A CA 1.728 53.501 52.037 -0.440 0.000 0.635 284 A CB -1.401 16.762 19.000 -1.395 0.000 0.810 284 A HN 0.977 nan 8.150 nan 0.000 0.446 285 C N -0.554 118.723 119.300 -0.039 0.000 2.453 285 C HA -0.076 4.381 4.460 -0.004 0.000 0.277 285 C C 2.521 177.592 174.990 0.135 0.000 1.262 285 C CA 1.576 60.652 59.018 0.096 0.000 1.718 285 C CB -1.009 26.791 27.740 0.099 0.000 2.031 285 C HN 0.613 nan 8.230 nan 0.000 0.480 286 E N 0.669 120.936 120.200 0.111 0.000 2.072 286 E HA -0.179 4.169 4.350 -0.004 0.000 0.191 286 E C 2.001 178.663 176.600 0.105 0.000 0.985 286 E CA 1.659 58.134 56.400 0.125 0.000 0.801 286 E CB -0.631 29.168 29.700 0.165 0.000 0.750 286 E HN 0.823 nan 8.360 nan 0.000 0.452 287 E N 0.927 121.211 120.200 0.140 0.000 2.110 287 E HA -0.111 4.236 4.350 -0.004 0.000 0.193 287 E C 2.157 178.823 176.600 0.110 0.000 0.988 287 E CA 0.810 57.291 56.400 0.135 0.000 0.804 287 E CB -0.307 29.538 29.700 0.242 0.000 0.745 287 E HN 0.187 nan 8.360 nan 0.000 0.458 288 L N -0.087 121.269 121.223 0.221 0.000 2.093 288 L HA -0.126 4.211 4.340 -0.004 0.000 0.208 288 L C 2.493 179.632 176.870 0.448 0.000 1.085 288 L CA 0.823 55.867 54.840 0.340 0.000 0.755 288 L CB -0.393 41.895 42.059 0.382 0.000 0.904 288 L HN 0.212 nan 8.230 nan 0.000 0.435 289 L N -0.536 120.837 121.223 0.251 0.000 2.083 289 L HA -0.206 4.131 4.340 -0.004 0.000 0.209 289 L C 2.832 179.500 176.870 -0.338 0.000 1.083 289 L CA 1.129 55.852 54.840 -0.195 0.000 0.752 289 L CB -0.492 41.252 42.059 -0.525 0.000 0.899 289 L HN 0.268 nan 8.230 nan 0.000 0.433 290 R N 0.446 120.772 120.500 -0.292 0.000 2.064 290 R HA -0.214 4.123 4.340 -0.004 0.000 0.228 290 R C 2.499 178.649 176.300 -0.250 0.000 1.144 290 R CA 1.654 57.598 56.100 -0.259 0.000 0.932 290 R CB -0.220 30.042 30.300 -0.064 0.000 0.833 290 R HN 0.038 nan 8.270 nan 0.000 0.429 291 R N 0.160 120.490 120.500 -0.282 0.000 2.103 291 R HA -0.123 4.214 4.340 -0.004 0.000 0.242 291 R C 0.828 176.632 176.300 -0.828 0.000 1.142 291 R CA 1.801 57.551 56.100 -0.583 0.000 0.960 291 R CB -0.463 29.353 30.300 -0.807 0.000 0.858 291 R HN 0.321 nan 8.270 nan 0.000 0.439 292 F N 0.430 120.280 119.950 -0.166 0.000 2.925 292 F HA 0.384 4.909 4.527 -0.004 0.000 0.302 292 F C 0.464 176.150 175.800 -0.190 0.000 1.189 292 F CA -0.442 57.402 58.000 -0.261 0.000 1.346 292 F CB 0.229 39.053 39.000 -0.293 0.000 0.954 292 F HN -0.108 nan 8.300 nan 0.000 0.506 293 S N 1.619 117.203 115.700 -0.193 0.000 2.563 293 S HA 0.261 4.729 4.470 -0.004 0.000 0.284 293 S C 0.852 175.275 174.600 -0.295 0.000 1.331 293 S CA -0.076 57.968 58.200 -0.259 0.000 1.047 293 S CB 0.499 63.514 63.200 -0.309 0.000 0.859 293 S HN 0.580 nan 8.310 nan 0.000 0.514 294 L N 1.733 122.797 121.223 -0.265 0.000 3.689 294 L HA 0.555 4.893 4.340 -0.004 0.000 0.344 294 L C -0.979 175.727 176.870 -0.272 0.000 1.221 294 L CA -0.509 54.179 54.840 -0.254 0.000 1.171 294 L CB 0.144 42.193 42.059 -0.016 0.000 1.540 294 L HN 0.320 nan 8.230 nan 0.000 0.631 295 V N 1.975 121.716 119.914 -0.288 0.000 2.472 295 V HA 0.833 4.951 4.120 -0.004 0.000 0.290 295 V C 0.311 176.208 176.094 -0.329 0.000 1.037 295 V CA 0.056 62.199 62.300 -0.260 0.000 0.908 295 V CB 1.457 33.170 31.823 -0.185 0.000 0.985 295 V HN 0.351 nan 8.190 nan 0.000 0.454 296 A N 3.570 126.192 122.820 -0.330 0.000 2.651 296 A HA 0.685 5.003 4.320 -0.004 0.000 0.290 296 A C -0.585 176.866 177.584 -0.222 0.000 1.185 296 A CA -0.629 51.235 52.037 -0.289 0.000 0.746 296 A CB 0.529 19.248 19.000 -0.469 0.000 1.213 296 A HN 0.848 nan 8.150 nan 0.000 0.429 297 D N 1.481 121.802 120.400 -0.130 0.000 2.658 297 D HA 0.850 5.487 4.640 -0.004 0.000 0.243 297 D C 0.533 176.810 176.300 -0.039 0.000 1.159 297 D CA 0.089 53.982 54.000 -0.179 0.000 1.084 297 D CB 0.927 41.622 40.800 -0.175 0.000 1.227 297 D HN 0.794 nan 8.370 nan 0.000 0.636 298 G N -1.926 106.862 108.800 -0.019 0.000 2.650 298 G HA2 0.581 4.538 3.960 -0.004 0.000 0.310 298 G HA3 0.581 4.538 3.960 -0.004 0.000 0.310 298 G C -1.150 173.763 174.900 0.022 0.000 1.270 298 G CA -0.756 44.338 45.100 -0.010 0.000 0.810 298 G HN 0.437 nan 8.290 nan 0.000 0.493 299 R N -1.289 119.224 120.500 0.023 0.000 2.795 299 R HA 0.635 4.973 4.340 -0.004 0.000 0.268 299 R C -1.513 174.874 176.300 0.145 0.000 1.041 299 R CA -0.739 55.419 56.100 0.097 0.000 0.927 299 R CB 1.759 32.150 30.300 0.152 0.000 1.235 299 R HN 0.631 nan 8.270 nan 0.000 0.463 300 I N 1.299 121.962 120.570 0.156 0.000 2.545 300 I HA 0.282 4.449 4.170 -0.004 0.000 0.292 300 I C -0.708 175.486 176.117 0.128 0.000 1.040 300 I CA -1.011 60.381 61.300 0.153 0.000 1.068 300 I CB 1.368 39.431 38.000 0.105 0.000 1.251 300 I HN 0.249 nan 8.210 nan 0.000 0.424 301 L N 6.950 128.250 121.223 0.129 0.000 2.477 301 L HA 0.097 4.435 4.340 -0.004 0.000 0.272 301 L C 1.605 178.469 176.870 -0.010 0.000 1.157 301 L CA 0.510 55.356 54.840 0.010 0.000 0.889 301 L CB 0.992 43.102 42.059 0.084 0.000 1.158 301 L HN 0.828 nan 8.230 nan 0.000 0.473 302 T N -0.840 113.661 114.554 -0.088 0.000 2.904 302 T HA -0.012 4.335 4.350 -0.004 0.000 0.267 302 T C 0.877 175.540 174.700 -0.062 0.000 1.059 302 T CA 0.730 62.784 62.100 -0.076 0.000 1.137 302 T CB 0.105 68.889 68.868 -0.141 0.000 0.879 302 T HN 0.633 nan 8.240 nan 0.000 0.467 303 S N -0.210 115.454 115.700 -0.060 0.000 2.688 303 S HA 0.527 4.994 4.470 -0.004 0.000 0.275 303 S C -1.958 172.667 174.600 0.042 0.000 1.175 303 S CA -1.191 57.000 58.200 -0.015 0.000 0.818 303 S CB 1.163 64.340 63.200 -0.038 0.000 1.157 303 S HN 0.065 nan 8.310 nan 0.000 0.482 304 D N 1.023 121.458 120.400 0.058 0.000 2.424 304 D HA 0.528 5.166 4.640 -0.004 0.000 0.244 304 D C -0.974 175.438 176.300 0.187 0.000 1.134 304 D CA 0.870 54.922 54.000 0.087 0.000 0.881 304 D CB 0.267 41.098 40.800 0.051 0.000 1.191 304 D HN 0.530 nan 8.370 nan 0.000 0.445 305 Y N 0.403 120.693 120.300 -0.017 0.000 2.474 305 Y HA 0.156 4.705 4.550 -0.003 0.000 0.326 305 Y C -1.310 174.570 175.900 -0.033 0.000 1.160 305 Y CA -0.909 57.158 58.100 -0.054 0.000 1.056 305 Y CB 1.261 39.627 38.460 -0.156 0.000 1.330 305 Y HN 0.293 nan 8.280 nan 0.000 0.447 306 E N 5.997 125.979 120.200 -0.363 0.000 2.130 306 E HA 0.287 4.634 4.350 -0.004 0.000 0.284 306 E C -1.914 174.237 176.600 -0.748 0.000 1.018 306 E CA -0.399 55.765 56.400 -0.393 0.000 0.817 306 E CB 0.587 30.168 29.700 -0.198 0.000 1.078 306 E HN 0.483 nan 8.360 nan 0.000 0.396 307 F N 5.047 124.595 119.950 -0.669 0.000 2.460 307 F HA 0.228 4.752 4.527 -0.004 0.000 0.341 307 F C -0.239 175.467 175.800 -0.155 0.000 1.130 307 F CA -0.657 57.059 58.000 -0.473 0.000 0.962 307 F CB 0.546 39.389 39.000 -0.262 0.000 1.171 307 F HN 0.599 nan 8.300 nan 0.000 0.436 308 H N 4.330 123.022 119.070 -0.631 0.000 2.496 308 H HA -0.190 4.363 4.556 -0.004 0.000 0.323 308 H C 1.418 176.571 175.328 -0.292 0.000 1.054 308 H CA 0.983 56.729 56.048 -0.504 0.000 1.095 308 H CB -0.944 28.414 29.762 -0.673 0.000 1.595 308 H HN 1.170 nan 8.280 nan 0.000 0.388 309 G N -0.398 108.295 108.800 -0.178 0.000 2.186 309 G HA2 -0.325 3.633 3.960 -0.004 0.000 0.266 309 G HA3 -0.325 3.633 3.960 -0.004 0.000 0.266 309 G C 0.307 175.159 174.900 -0.080 0.000 0.982 309 G CA 0.492 45.528 45.100 -0.107 0.000 0.670 309 G HN 0.520 nan 8.290 nan 0.000 0.533 310 V N 0.828 120.670 119.914 -0.120 0.000 2.555 310 V HA 0.458 4.575 4.120 -0.004 0.000 0.302 310 V C 0.047 176.052 176.094 -0.147 0.000 1.038 310 V CA -1.077 61.142 62.300 -0.134 0.000 0.887 310 V CB 1.959 33.634 31.823 -0.247 0.000 0.991 310 V HN 0.252 nan 8.190 nan 0.000 0.434 311 Q N 4.613 124.384 119.800 -0.050 0.000 2.369 311 Q HA 0.415 4.752 4.340 -0.004 0.000 0.247 311 Q C -0.767 175.298 176.000 0.109 0.000 1.083 311 Q CA 0.079 55.897 55.803 0.024 0.000 0.905 311 Q CB 1.022 29.820 28.738 0.099 0.000 1.305 311 Q HN 0.558 nan 8.270 nan 0.000 0.465 312 L N 2.253 123.490 121.223 0.023 0.000 2.312 312 L HA 0.397 4.735 4.340 -0.004 0.000 0.281 312 L C 0.297 177.280 176.870 0.187 0.000 1.070 312 L CA -0.784 54.141 54.840 0.142 0.000 0.805 312 L CB 0.673 42.735 42.059 0.006 0.000 1.174 312 L HN 0.110 nan 8.230 nan 0.000 0.434 313 K N 2.623 123.162 120.400 0.233 0.000 2.185 313 K HA 0.215 4.532 4.320 -0.004 0.000 0.269 313 K C -0.449 176.201 176.600 0.084 0.000 0.987 313 K CA -0.639 55.650 56.287 0.003 0.000 0.865 313 K CB 1.251 33.489 32.500 -0.437 0.000 1.090 313 K HN 0.319 nan 8.250 nan 0.000 0.450 314 K N 1.363 121.789 120.400 0.042 0.000 2.513 314 K HA -0.083 4.234 4.320 -0.004 0.000 0.275 314 K C 0.620 177.265 176.600 0.075 0.000 1.025 314 K CA 1.666 57.982 56.287 0.049 0.000 1.125 314 K CB -0.225 32.286 32.500 0.019 0.000 0.843 314 K HN 0.754 nan 8.250 nan 0.000 0.486 315 G N 3.103 111.964 108.800 0.102 0.000 2.234 315 G HA2 -0.216 3.742 3.960 -0.004 0.000 0.235 315 G HA3 -0.216 3.742 3.960 -0.004 0.000 0.235 315 G C -0.362 174.657 174.900 0.198 0.000 0.997 315 G CA 0.152 45.326 45.100 0.124 0.000 0.623 315 G HN 0.745 nan 8.290 nan 0.000 0.514 316 D N 1.576 122.149 120.400 0.288 0.000 2.443 316 D HA 0.407 5.045 4.640 -0.004 0.000 0.239 316 D C 0.825 177.364 176.300 0.398 0.000 1.136 316 D CA 0.526 54.796 54.000 0.451 0.000 0.879 316 D CB 0.559 41.817 40.800 0.762 0.000 1.195 316 D HN 0.509 nan 8.370 nan 0.000 0.443 317 Q N 0.766 120.778 119.800 0.353 0.000 2.230 317 Q HA 0.593 4.930 4.340 -0.004 0.000 0.253 317 Q C -0.381 175.821 176.000 0.338 0.000 0.919 317 Q CA -0.582 55.370 55.803 0.248 0.000 0.908 317 Q CB 2.356 31.156 28.738 0.103 0.000 1.245 317 Q HN 0.462 nan 8.270 nan 0.000 0.437 318 I N 2.694 123.425 120.570 0.268 0.000 2.499 318 I HA 0.296 4.464 4.170 -0.004 0.000 0.288 318 I C -1.652 174.506 176.117 0.069 0.000 1.048 318 I CA -1.112 60.353 61.300 0.275 0.000 1.062 318 I CB 1.207 39.362 38.000 0.258 0.000 1.238 318 I HN 0.515 nan 8.210 nan 0.000 0.426 319 L N 8.298 129.559 121.223 0.063 0.000 2.290 319 L HA 0.452 4.790 4.340 -0.004 0.000 0.284 319 L C -1.224 175.638 176.870 -0.014 0.000 1.078 319 L CA 0.157 54.984 54.840 -0.021 0.000 0.815 319 L CB 0.852 42.904 42.059 -0.012 0.000 1.162 319 L HN 0.578 nan 8.230 nan 0.000 0.435 320 L N 7.759 128.943 121.223 -0.065 0.000 2.435 320 L HA 0.390 4.728 4.340 -0.004 0.000 0.253 320 L C -2.087 174.833 176.870 0.083 0.000 1.087 320 L CA -1.723 53.051 54.840 -0.110 0.000 0.950 320 L CB 0.691 42.416 42.059 -0.555 0.000 1.304 320 L HN 0.500 nan 8.230 nan 0.000 0.453 321 P HA -0.023 nan 4.420 nan 0.000 0.250 321 P C 0.354 177.629 177.300 -0.042 0.000 1.198 321 P CA 0.175 63.260 63.100 -0.026 0.000 1.118 321 P CB 0.530 32.238 31.700 0.013 0.000 1.208 322 Q N 2.336 122.119 119.800 -0.029 0.000 2.173 322 Q HA -0.240 4.097 4.340 -0.004 0.000 0.208 322 Q C 1.930 177.846 176.000 -0.141 0.000 0.989 322 Q CA 1.810 57.578 55.803 -0.058 0.000 0.872 322 Q CB -0.643 28.016 28.738 -0.132 0.000 0.909 322 Q HN 0.495 nan 8.270 nan 0.000 0.420 323 M N -0.297 119.154 119.600 -0.248 0.000 2.106 323 M HA -0.233 4.245 4.480 -0.004 0.000 0.259 323 M C 1.539 177.712 176.300 -0.213 0.000 1.068 323 M CA 1.586 56.702 55.300 -0.308 0.000 1.100 323 M CB -0.046 32.239 32.600 -0.526 0.000 1.351 323 M HN 0.295 nan 8.290 nan 0.000 0.404 324 L N -0.537 120.596 121.223 -0.150 0.000 2.093 324 L HA -0.169 4.169 4.340 -0.004 0.000 0.208 324 L C 2.452 179.274 176.870 -0.080 0.000 1.085 324 L CA 1.024 55.811 54.840 -0.089 0.000 0.755 324 L CB -0.695 41.336 42.059 -0.047 0.000 0.904 324 L HN 0.366 nan 8.230 nan 0.000 0.435 325 S N 0.500 116.158 115.700 -0.070 0.000 2.369 325 S HA -0.229 4.238 4.470 -0.004 0.000 0.225 325 S C 1.941 176.510 174.600 -0.052 0.000 1.043 325 S CA 1.692 59.856 58.200 -0.060 0.000 1.074 325 S CB -0.881 62.289 63.200 -0.049 0.000 0.962 325 S HN 0.620 nan 8.310 nan 0.000 0.433 326 G N 0.533 109.308 108.800 -0.040 0.000 2.509 326 G HA2 0.001 3.958 3.960 -0.004 0.000 0.218 326 G HA3 0.001 3.958 3.960 -0.004 0.000 0.218 326 G C 1.143 176.000 174.900 -0.072 0.000 1.124 326 G CA 0.274 45.357 45.100 -0.029 0.000 0.776 326 G HN 0.451 nan 8.290 nan 0.000 0.547 327 L N 0.070 121.237 121.223 -0.094 0.000 2.529 327 L HA 0.164 4.501 4.340 -0.004 0.000 0.223 327 L C 0.603 177.429 176.870 -0.073 0.000 1.113 327 L CA -0.305 54.475 54.840 -0.099 0.000 0.861 327 L CB 0.078 42.072 42.059 -0.109 0.000 1.012 327 L HN 0.022 nan 8.230 nan 0.000 0.461 328 D N 1.586 121.947 120.400 -0.066 0.000 2.401 328 D HA -0.091 4.547 4.640 -0.004 0.000 0.254 328 D C 1.361 177.631 176.300 -0.050 0.000 1.192 328 D CA 0.131 54.094 54.000 -0.061 0.000 0.885 328 D CB 1.012 41.773 40.800 -0.064 0.000 1.147 328 D HN 0.341 nan 8.370 nan 0.000 0.478 329 E N 3.904 124.076 120.200 -0.047 0.000 2.265 329 E HA -0.212 4.136 4.350 -0.004 0.000 0.196 329 E C 0.869 177.448 176.600 -0.034 0.000 0.996 329 E CA 0.658 57.036 56.400 -0.036 0.000 0.832 329 E CB -0.060 29.619 29.700 -0.034 0.000 0.756 329 E HN 0.452 nan 8.360 nan 0.000 0.491 330 R N 0.350 120.826 120.500 -0.040 0.000 2.346 330 R HA 0.060 4.398 4.340 -0.004 0.000 0.199 330 R C 1.266 177.545 176.300 -0.035 0.000 1.015 330 R CA 0.632 56.709 56.100 -0.038 0.000 1.058 330 R CB 0.104 30.377 30.300 -0.045 0.000 0.921 330 R HN 0.362 nan 8.270 nan 0.000 0.475 331 E N -0.638 119.541 120.200 -0.034 0.000 2.441 331 E HA 0.149 4.496 4.350 -0.004 0.000 0.207 331 E C -0.288 176.300 176.600 -0.020 0.000 0.803 331 E CA 0.058 56.440 56.400 -0.031 0.000 1.240 331 E CB 0.799 30.476 29.700 -0.038 0.000 1.233 331 E HN 0.163 nan 8.360 nan 0.000 0.590 332 N N 0.659 119.347 118.700 -0.020 0.000 2.454 332 N HA 0.331 5.069 4.740 -0.004 0.000 0.291 332 N C -1.048 174.457 175.510 -0.009 0.000 1.079 332 N CA -0.162 52.883 53.050 -0.009 0.000 0.893 332 N CB 2.146 40.628 38.487 -0.009 0.000 1.512 332 N HN -0.006 nan 8.380 nan 0.000 0.497 333 A N 1.431 124.251 122.820 -0.000 0.000 2.406 333 A HA 0.525 4.843 4.320 -0.004 0.000 0.243 333 A C 0.992 178.580 177.584 0.008 0.000 1.082 333 A CA 0.442 52.478 52.037 -0.002 0.000 0.786 333 A CB -0.109 18.890 19.000 -0.002 0.000 1.029 333 A HN 1.130 nan 8.150 nan 0.000 0.495 334 A N 1.487 124.306 122.820 -0.001 0.000 2.462 334 A HA -0.117 4.201 4.320 -0.004 0.000 0.294 334 A C -0.382 177.223 177.584 0.034 0.000 1.461 334 A CA 0.800 52.844 52.037 0.011 0.000 0.765 334 A CB -1.545 17.453 19.000 -0.004 0.000 1.071 334 A HN 0.786 nan 8.150 nan 0.000 0.401 335 P HA -0.226 nan 4.420 nan 0.000 0.216 335 P C 1.239 178.492 177.300 -0.078 0.000 1.150 335 P CA 1.485 64.561 63.100 -0.041 0.000 0.843 335 P CB -0.108 31.560 31.700 -0.054 0.000 0.787 336 M N -1.352 118.216 119.600 -0.053 0.000 2.659 336 M HA -0.001 4.477 4.480 -0.004 0.000 0.243 336 M C 0.671 176.937 176.300 -0.056 0.000 1.111 336 M CA 0.456 55.705 55.300 -0.084 0.000 1.070 336 M CB -1.899 30.678 32.600 -0.038 0.000 1.525 336 M HN 0.066 nan 8.290 nan 0.000 0.517 337 H N 0.078 119.081 119.070 -0.112 0.000 2.519 337 H HA 0.404 4.957 4.556 -0.004 0.000 0.316 337 H C -1.007 174.239 175.328 -0.136 0.000 1.065 337 H CA -0.483 55.512 56.048 -0.088 0.000 1.264 337 H CB 0.855 30.594 29.762 -0.038 0.000 1.413 337 H HN -0.182 nan 8.280 nan 0.000 0.465 338 V N 5.861 125.360 119.914 -0.691 0.000 2.439 338 V HA 0.081 4.199 4.120 -0.004 0.000 0.271 338 V C 0.014 175.619 176.094 -0.815 0.000 1.040 338 V CA 0.184 62.052 62.300 -0.719 0.000 1.002 338 V CB 0.615 31.835 31.823 -1.004 0.000 1.000 338 V HN 0.834 nan 8.190 nan 0.000 0.477 339 D N 4.666 124.796 120.400 -0.451 0.000 2.421 339 D HA 0.310 4.948 4.640 -0.004 0.000 0.254 339 D C 0.411 176.733 176.300 0.038 0.000 1.238 339 D CA -0.569 53.320 54.000 -0.185 0.000 0.919 339 D CB 0.882 41.705 40.800 0.039 0.000 1.152 339 D HN 0.234 nan 8.370 nan 0.000 0.552 340 F N 1.325 121.319 119.950 0.074 0.000 2.494 340 F HA -0.012 4.513 4.527 -0.004 0.000 0.298 340 F C 2.129 177.963 175.800 0.058 0.000 1.106 340 F CA 0.437 58.481 58.000 0.073 0.000 1.452 340 F CB -0.371 38.689 39.000 0.101 0.000 1.085 340 F HN 0.275 nan 8.300 nan 0.000 0.569 341 S N -1.189 114.635 115.700 0.207 0.000 2.540 341 S HA 0.080 4.548 4.470 -0.004 0.000 0.218 341 S C 0.840 175.506 174.600 0.109 0.000 0.977 341 S CA -0.565 57.719 58.200 0.140 0.000 0.918 341 S CB -0.115 63.150 63.200 0.109 0.000 0.806 341 S HN 0.177 nan 8.310 nan 0.000 0.496 342 R N 2.195 122.762 120.500 0.112 0.000 2.486 342 R HA -0.068 4.270 4.340 -0.004 0.000 0.304 342 R C 0.964 177.310 176.300 0.077 0.000 0.913 342 R CA 0.381 56.535 56.100 0.089 0.000 1.124 342 R CB 0.250 30.599 30.300 0.081 0.000 0.891 342 R HN 0.139 nan 8.270 nan 0.000 0.410 343 Q N 2.236 122.072 119.800 0.061 0.000 2.230 343 Q HA -0.082 4.255 4.340 -0.004 0.000 0.202 343 Q C 0.098 176.125 176.000 0.044 0.000 0.963 343 Q CA 1.371 57.204 55.803 0.050 0.000 0.866 343 Q CB 0.144 28.907 28.738 0.040 0.000 0.931 343 Q HN 0.266 nan 8.270 nan 0.000 0.452 344 K N 0.396 120.820 120.400 0.040 0.000 2.646 344 K HA 0.230 4.548 4.320 -0.004 0.000 0.210 344 K C -1.534 175.087 176.600 0.035 0.000 1.020 344 K CA -0.408 55.898 56.287 0.032 0.000 1.040 344 K CB 0.647 33.159 32.500 0.020 0.000 1.253 344 K HN -0.280 nan 8.250 nan 0.000 0.532 345 V N 2.853 122.798 119.914 0.052 0.000 2.403 345 V HA 0.154 4.271 4.120 -0.004 0.000 0.265 345 V C 0.147 176.270 176.094 0.048 0.000 1.034 345 V CA -0.077 62.268 62.300 0.075 0.000 1.036 345 V CB 0.517 32.412 31.823 0.120 0.000 1.032 345 V HN 0.700 nan 8.190 nan 0.000 0.478 346 S N 5.768 121.486 115.700 0.030 0.000 2.456 346 S HA 0.744 5.212 4.470 -0.004 0.000 0.316 346 S C -0.636 173.965 174.600 0.001 0.000 1.089 346 S CA -0.573 57.608 58.200 -0.032 0.000 1.101 346 S CB 0.481 63.665 63.200 -0.028 0.000 0.995 346 S HN 1.074 nan 8.310 nan 0.000 0.468 347 H N 0.269 119.323 119.070 -0.025 0.000 2.918 347 H HA 0.615 5.168 4.556 -0.004 0.000 0.303 347 H C -0.410 174.895 175.328 -0.038 0.000 1.380 347 H CA -0.335 55.680 56.048 -0.055 0.000 1.134 347 H CB 0.896 30.608 29.762 -0.083 0.000 1.842 347 H HN 0.341 nan 8.280 nan 0.000 0.533 348 T N -2.825 111.829 114.554 0.167 0.000 3.487 348 T HA 0.183 4.531 4.350 -0.004 0.000 0.287 348 T C 0.304 175.058 174.700 0.090 0.000 1.004 348 T CA 0.083 62.253 62.100 0.116 0.000 0.977 348 T CB -0.566 68.320 68.868 0.030 0.000 1.180 348 T HN 0.617 nan 8.240 nan 0.000 0.490 349 T N 1.180 115.842 114.554 0.180 0.000 2.833 349 T HA 0.039 4.386 4.350 -0.004 0.000 0.269 349 T C 0.513 174.940 174.700 -0.455 0.000 1.054 349 T CA 1.186 63.093 62.100 -0.322 0.000 1.135 349 T CB -0.390 68.018 68.868 -0.765 0.000 0.869 349 T HN 0.495 nan 8.240 nan 0.000 0.466 350 F N 1.225 121.172 119.950 -0.005 0.000 2.645 350 F HA 0.476 5.000 4.527 -0.004 0.000 0.300 350 F C 1.582 177.339 175.800 -0.073 0.000 1.115 350 F CA -0.206 57.758 58.000 -0.060 0.000 1.355 350 F CB -0.339 38.626 39.000 -0.058 0.000 1.026 350 F HN 0.303 nan 8.300 nan 0.000 0.536 351 G N -0.021 108.783 108.800 0.008 0.000 2.610 351 G HA2 -0.051 3.906 3.960 -0.004 0.000 0.304 351 G HA3 -0.051 3.906 3.960 -0.004 0.000 0.304 351 G C -1.599 173.293 174.900 -0.014 0.000 1.309 351 G CA -0.872 44.156 45.100 -0.120 0.000 0.906 351 G HN 0.461 nan 8.290 nan 0.000 0.521 352 H N -0.838 118.079 119.070 -0.254 0.000 3.029 352 H HA 0.697 5.250 4.556 -0.004 0.000 0.358 352 H C 0.533 175.875 175.328 0.024 0.000 1.129 352 H CA 1.824 57.835 56.048 -0.061 0.000 1.230 352 H CB 1.353 31.137 29.762 0.037 0.000 1.827 352 H HN 2.586 nan 8.280 nan 0.000 0.530 353 G N 1.330 109.911 108.800 -0.365 0.000 2.445 353 G HA2 -0.211 3.746 3.960 -0.004 0.000 0.212 353 G HA3 -0.211 3.746 3.960 -0.004 0.000 0.212 353 G C 0.872 175.747 174.900 -0.043 0.000 1.217 353 G CA 0.335 45.386 45.100 -0.082 0.000 1.002 353 G HN 1.252 nan 8.290 nan 0.000 0.574 354 S N -0.814 114.890 115.700 0.007 0.000 2.522 354 S HA 0.098 4.565 4.470 -0.004 0.000 0.227 354 S C 1.186 175.623 174.600 -0.270 0.000 0.986 354 S CA 1.531 59.640 58.200 -0.152 0.000 0.929 354 S CB -0.161 62.873 63.200 -0.277 0.000 0.769 354 S HN 0.699 nan 8.310 nan 0.000 0.529 355 H N 0.920 119.988 119.070 -0.004 0.000 2.505 355 H HA 0.352 4.905 4.556 -0.004 0.000 0.289 355 H C 0.118 175.433 175.328 -0.022 0.000 1.052 355 H CA -0.546 55.503 56.048 0.002 0.000 1.156 355 H CB 0.047 29.825 29.762 0.027 0.000 1.507 355 H HN 0.278 nan 8.280 nan 0.000 0.548 356 L N 1.426 122.662 121.223 0.022 0.000 2.628 356 L HA -0.142 4.196 4.340 -0.004 0.000 0.292 356 L C 1.051 177.932 176.870 0.018 0.000 1.250 356 L CA 0.562 55.407 54.840 0.008 0.000 0.892 356 L CB -0.096 41.949 42.059 -0.025 0.000 1.138 356 L HN 0.399 nan 8.230 nan 0.000 0.502 357 C N 5.911 125.235 119.300 0.039 0.000 2.531 357 C HA 0.004 4.461 4.460 -0.004 0.000 0.401 357 C C 2.012 176.938 174.990 -0.107 0.000 1.473 357 C CA -0.496 58.533 59.018 0.018 0.000 1.472 357 C CB -1.247 26.583 27.740 0.149 0.000 2.429 357 C HN 0.742 nan 8.230 nan 0.000 0.620 358 L N 5.057 126.252 121.223 -0.047 0.000 2.362 358 L HA 0.071 4.409 4.340 -0.004 0.000 0.219 358 L C 2.380 179.187 176.870 -0.105 0.000 1.134 358 L CA 1.410 56.216 54.840 -0.056 0.000 0.807 358 L CB -0.380 41.686 42.059 0.013 0.000 0.927 358 L HN 0.951 nan 8.230 nan 0.000 0.447 359 G N -0.709 108.021 108.800 -0.117 0.000 3.189 359 G HA2 -0.031 3.926 3.960 -0.004 0.000 0.225 359 G HA3 -0.031 3.926 3.960 -0.004 0.000 0.225 359 G C 1.356 176.093 174.900 -0.271 0.000 1.159 359 G CA -0.050 44.980 45.100 -0.116 0.000 0.763 359 G HN 0.516 nan 8.290 nan 0.000 0.549 360 Q N -0.142 119.286 119.800 -0.620 0.000 2.170 360 Q HA -0.176 4.162 4.340 -0.004 0.000 0.203 360 Q C 1.753 177.318 176.000 -0.725 0.000 0.976 360 Q CA 1.247 56.339 55.803 -1.186 0.000 0.858 360 Q CB -0.499 27.077 28.738 -1.937 0.000 0.907 360 Q HN 0.447 nan 8.270 nan 0.000 0.433 361 H N 0.482 119.383 119.070 -0.281 0.000 2.363 361 H HA -0.042 4.511 4.556 -0.004 0.000 0.301 361 H C 2.142 177.418 175.328 -0.086 0.000 1.074 361 H CA 1.304 57.260 56.048 -0.153 0.000 1.354 361 H CB -0.173 29.526 29.762 -0.105 0.000 1.397 361 H HN 0.262 nan 8.280 nan 0.000 0.516 362 L N 1.127 122.355 121.223 0.008 0.000 2.056 362 L HA -0.016 4.322 4.340 -0.004 0.000 0.207 362 L C 2.514 179.395 176.870 0.019 0.000 1.078 362 L CA 1.733 56.585 54.840 0.021 0.000 0.749 362 L CB -0.818 41.254 42.059 0.022 0.000 0.901 362 L HN 0.165 nan 8.230 nan 0.000 0.433 363 A N -0.368 122.445 122.820 -0.010 0.000 1.877 363 A HA -0.207 4.110 4.320 -0.004 0.000 0.216 363 A C 2.434 180.079 177.584 0.101 0.000 1.186 363 A CA 1.734 53.809 52.037 0.064 0.000 0.620 363 A CB -0.571 18.511 19.000 0.138 0.000 0.822 363 A HN 0.480 nan 8.150 nan 0.000 0.443 364 R N -1.194 119.336 120.500 0.050 0.000 2.083 364 R HA -0.169 4.169 4.340 -0.004 0.000 0.237 364 R C 2.501 178.876 176.300 0.125 0.000 1.137 364 R CA 1.805 57.961 56.100 0.094 0.000 0.951 364 R CB -0.301 30.031 30.300 0.055 0.000 0.851 364 R HN 0.406 nan 8.270 nan 0.000 0.434 365 R N 1.117 121.682 120.500 0.109 0.000 2.080 365 R HA -0.143 4.195 4.340 -0.004 0.000 0.236 365 R C 2.032 178.450 176.300 0.196 0.000 1.137 365 R CA 1.826 58.003 56.100 0.128 0.000 0.943 365 R CB -0.211 30.149 30.300 0.100 0.000 0.846 365 R HN 0.321 nan 8.270 nan 0.000 0.431 366 E N -0.298 120.022 120.200 0.200 0.000 2.070 366 E HA -0.234 4.114 4.350 -0.004 0.000 0.197 366 E C 2.065 178.940 176.600 0.458 0.000 1.004 366 E CA 1.704 58.305 56.400 0.336 0.000 0.805 366 E CB -0.266 29.526 29.700 0.154 0.000 0.744 366 E HN 0.361 nan 8.360 nan 0.000 0.451 367 I N 0.934 121.708 120.570 0.339 0.000 2.142 367 I HA -0.285 3.883 4.170 -0.004 0.000 0.240 367 I C 2.428 178.702 176.117 0.262 0.000 1.078 367 I CA 1.163 62.669 61.300 0.343 0.000 1.343 367 I CB -0.221 37.983 38.000 0.339 0.000 1.046 367 I HN 0.089 nan 8.210 nan 0.000 0.405 368 I N -0.120 120.573 120.570 0.206 0.000 2.394 368 I HA -0.227 3.941 4.170 -0.004 0.000 0.251 368 I C 2.402 178.606 176.117 0.145 0.000 1.136 368 I CA 0.967 62.355 61.300 0.147 0.000 1.425 368 I CB -0.233 37.835 38.000 0.114 0.000 1.079 368 I HN 0.043 nan 8.210 nan 0.000 0.425 369 V N 0.321 120.351 119.914 0.193 0.000 2.453 369 V HA -0.230 3.887 4.120 -0.004 0.000 0.247 369 V C 2.452 178.627 176.094 0.134 0.000 1.048 369 V CA 2.175 64.580 62.300 0.175 0.000 1.049 369 V CB -0.817 31.161 31.823 0.257 0.000 0.672 369 V HN 0.447 nan 8.190 nan 0.000 0.457 370 T N 0.775 115.434 114.554 0.175 0.000 2.622 370 T HA -0.177 4.171 4.350 -0.004 0.000 0.266 370 T C 1.916 176.665 174.700 0.082 0.000 1.047 370 T CA 1.820 63.983 62.100 0.104 0.000 1.159 370 T CB -0.379 68.637 68.868 0.248 0.000 0.863 370 T HN 0.275 nan 8.240 nan 0.000 0.422 371 L N 0.571 121.851 121.223 0.094 0.000 1.990 371 L HA -0.218 4.120 4.340 -0.004 0.000 0.213 371 L C 2.678 179.598 176.870 0.082 0.000 1.072 371 L CA 1.599 56.481 54.840 0.070 0.000 0.755 371 L CB -0.549 41.539 42.059 0.048 0.000 0.889 371 L HN 0.190 nan 8.230 nan 0.000 0.432 372 K N 0.153 120.595 120.400 0.070 0.000 2.020 372 K HA -0.203 4.115 4.320 -0.004 0.000 0.212 372 K C 2.042 178.672 176.600 0.049 0.000 1.050 372 K CA 1.573 57.894 56.287 0.056 0.000 0.929 372 K CB -0.075 32.457 32.500 0.053 0.000 0.714 372 K HN 0.187 nan 8.250 nan 0.000 0.443 373 E N -0.660 119.565 120.200 0.041 0.000 2.208 373 E HA -0.169 4.179 4.350 -0.004 0.000 0.193 373 E C 1.794 178.375 176.600 -0.032 0.000 0.988 373 E CA 0.607 57.006 56.400 -0.002 0.000 0.828 373 E CB -0.320 29.370 29.700 -0.017 0.000 0.763 373 E HN 0.506 nan 8.360 nan 0.000 0.478 374 W N 1.408 122.600 121.300 -0.180 0.000 2.441 374 W HA -0.019 4.639 4.660 -0.004 0.000 0.302 374 W C 1.770 178.201 176.519 -0.147 0.000 1.191 374 W CA 0.705 57.901 57.345 -0.248 0.000 1.327 374 W CB -0.344 28.912 29.460 -0.340 0.000 1.128 374 W HN -0.001 nan 8.180 nan 0.000 0.522 375 L N 0.263 121.639 121.223 0.255 0.000 2.191 375 L HA -0.206 4.132 4.340 -0.004 0.000 0.212 375 L C 2.381 179.285 176.870 0.057 0.000 1.103 375 L CA 1.522 56.479 54.840 0.194 0.000 0.769 375 L CB -1.173 40.975 42.059 0.150 0.000 0.908 375 L HN -0.140 nan 8.230 nan 0.000 0.438 376 T N -0.544 114.014 114.554 0.007 0.000 2.904 376 T HA -0.087 4.261 4.350 -0.004 0.000 0.267 376 T C 1.942 176.594 174.700 -0.081 0.000 1.059 376 T CA 1.229 63.312 62.100 -0.029 0.000 1.137 376 T CB 0.052 68.903 68.868 -0.029 0.000 0.879 376 T HN 0.367 nan 8.240 nan 0.000 0.467 377 R N -0.256 120.144 120.500 -0.167 0.000 2.279 377 R HA 0.380 4.717 4.340 -0.004 0.000 0.195 377 R C 0.437 176.539 176.300 -0.329 0.000 0.905 377 R CA 0.399 56.354 56.100 -0.241 0.000 1.044 377 R CB 0.829 30.938 30.300 -0.320 0.000 1.056 377 R HN 0.301 nan 8.270 nan 0.000 0.535 378 I N 2.224 122.563 120.570 -0.386 0.000 2.933 378 I HA 0.183 4.351 4.170 -0.004 0.000 0.306 378 I C -1.982 174.171 176.117 0.060 0.000 1.516 378 I CA -1.452 59.608 61.300 -0.402 0.000 0.819 378 I CB 1.714 39.045 38.000 -1.114 0.000 2.085 378 I HN -0.178 nan 8.210 nan 0.000 0.621 379 P HA -0.149 nan 4.420 nan 0.000 0.219 379 P C 0.214 177.542 177.300 0.047 0.000 1.146 379 P CA 1.480 64.635 63.100 0.091 0.000 0.808 379 P CB 0.493 32.212 31.700 0.030 0.000 0.779 380 D N -0.173 120.278 120.400 0.085 0.000 2.481 380 D HA 0.351 4.988 4.640 -0.004 0.000 0.246 380 D C -1.002 175.426 176.300 0.213 0.000 1.109 380 D CA -0.666 53.350 54.000 0.027 0.000 0.845 380 D CB 1.175 42.002 40.800 0.043 0.000 1.160 380 D HN -0.087 nan 8.370 nan 0.000 0.534 381 F N 0.378 120.394 119.950 0.110 0.000 2.678 381 F HA 0.620 5.145 4.527 -0.004 0.000 0.308 381 F C -1.159 174.710 175.800 0.116 0.000 1.118 381 F CA -0.983 57.137 58.000 0.200 0.000 0.959 381 F CB 1.036 40.188 39.000 0.254 0.000 1.305 381 F HN 0.115 nan 8.300 nan 0.000 0.443 382 S N 1.230 117.150 115.700 0.367 0.000 2.661 382 S HA 0.754 5.222 4.470 -0.004 0.000 0.285 382 S C -0.891 173.839 174.600 0.217 0.000 1.138 382 S CA -1.061 57.250 58.200 0.185 0.000 0.855 382 S CB 1.626 64.877 63.200 0.086 0.000 1.136 382 S HN 0.827 nan 8.310 nan 0.000 0.484 383 I N 1.862 122.504 120.570 0.121 0.000 2.692 383 I HA 0.310 4.478 4.170 -0.004 0.000 0.284 383 I C 1.216 177.387 176.117 0.089 0.000 1.159 383 I CA -0.353 61.007 61.300 0.100 0.000 1.423 383 I CB 0.543 38.575 38.000 0.053 0.000 1.380 383 I HN 0.952 nan 8.210 nan 0.000 0.580 384 A N 7.901 130.772 122.820 0.084 0.000 2.555 384 A HA 0.140 4.458 4.320 -0.004 0.000 0.233 384 A C -2.223 175.385 177.584 0.041 0.000 1.060 384 A CA -0.709 51.363 52.037 0.058 0.000 0.759 384 A CB -0.765 18.263 19.000 0.047 0.000 0.995 384 A HN 0.462 nan 8.150 nan 0.000 0.506 385 P HA 0.232 nan 4.420 nan 0.000 0.262 385 P C 1.090 178.401 177.300 0.018 0.000 1.199 385 P CA 1.923 65.036 63.100 0.022 0.000 0.763 385 P CB 0.490 32.199 31.700 0.015 0.000 0.790 386 G N 3.064 111.874 108.800 0.016 0.000 2.245 386 G HA2 -0.302 3.656 3.960 -0.004 0.000 0.264 386 G HA3 -0.302 3.656 3.960 -0.004 0.000 0.264 386 G C 0.537 175.446 174.900 0.016 0.000 0.985 386 G CA 0.042 45.151 45.100 0.014 0.000 0.625 386 G HN 0.853 nan 8.290 nan 0.000 0.536 387 A N 0.504 123.337 122.820 0.021 0.000 2.566 387 A HA 0.456 4.773 4.320 -0.004 0.000 0.245 387 A C 0.703 178.299 177.584 0.021 0.000 1.056 387 A CA 0.729 52.780 52.037 0.024 0.000 0.757 387 A CB 0.202 19.223 19.000 0.034 0.000 0.979 387 A HN 0.405 nan 8.150 nan 0.000 0.508 388 Q N 2.846 122.657 119.800 0.018 0.000 2.503 388 Q HA 0.224 4.562 4.340 -0.004 0.000 0.227 388 Q C -0.238 175.768 176.000 0.011 0.000 1.109 388 Q CA -0.364 55.446 55.803 0.011 0.000 0.922 388 Q CB 0.527 29.270 28.738 0.008 0.000 1.249 388 Q HN 0.612 nan 8.270 nan 0.000 0.530 389 I N 1.987 122.562 120.570 0.009 0.000 2.598 389 I HA -0.009 4.158 4.170 -0.004 0.000 0.284 389 I C 0.703 176.808 176.117 -0.020 0.000 1.140 389 I CA 0.465 61.776 61.300 0.017 0.000 1.420 389 I CB -0.183 37.842 38.000 0.042 0.000 1.387 389 I HN 0.338 nan 8.210 nan 0.000 0.553 390 Q N 5.627 125.450 119.800 0.037 0.000 2.316 390 Q HA 0.413 4.751 4.340 -0.004 0.000 0.264 390 Q C -0.713 175.403 176.000 0.194 0.000 0.987 390 Q CA -0.556 55.277 55.803 0.049 0.000 0.852 390 Q CB 2.167 30.940 28.738 0.059 0.000 1.287 390 Q HN 0.607 nan 8.270 nan 0.000 0.448 391 H N 0.638 119.776 119.070 0.113 0.000 2.517 391 H HA 0.502 5.056 4.556 -0.004 0.000 0.346 391 H C -0.619 174.794 175.328 0.142 0.000 1.222 391 H CA -0.908 55.233 56.048 0.154 0.000 1.314 391 H CB 1.639 31.574 29.762 0.288 0.000 1.609 391 H HN 0.237 nan 8.280 nan 0.000 0.571 392 K N 0.798 121.371 120.400 0.287 0.000 2.468 392 K HA 0.300 4.617 4.320 -0.004 0.000 0.252 392 K C -1.311 175.441 176.600 0.253 0.000 0.932 392 K CA -0.486 55.931 56.287 0.217 0.000 0.794 392 K CB 2.284 34.874 32.500 0.150 0.000 1.241 392 K HN 0.464 nan 8.250 nan 0.000 0.428 393 S N 1.513 117.370 115.700 0.261 0.000 2.549 393 S HA 0.919 5.387 4.470 -0.004 0.000 0.297 393 S C -0.374 174.394 174.600 0.279 0.000 1.115 393 S CA 0.207 58.596 58.200 0.315 0.000 1.059 393 S CB 1.403 64.835 63.200 0.385 0.000 1.046 393 S HN 0.892 nan 8.310 nan 0.000 0.506 394 G N 2.475 111.400 108.800 0.209 0.000 2.393 394 G HA2 0.205 4.163 3.960 -0.004 0.000 0.264 394 G HA3 0.205 4.163 3.960 -0.004 0.000 0.264 394 G C 0.231 175.073 174.900 -0.097 0.000 1.221 394 G CA -0.377 44.771 45.100 0.080 0.000 0.912 394 G HN 0.538 nan 8.290 nan 0.000 0.483 395 I N 0.062 120.532 120.570 -0.167 0.000 2.286 395 I HA 0.017 4.184 4.170 -0.004 0.000 0.248 395 I C 0.861 176.842 176.117 -0.226 0.000 1.115 395 I CA 1.493 62.563 61.300 -0.383 0.000 1.392 395 I CB -0.754 36.766 38.000 -0.800 0.000 1.065 395 I HN 0.021 nan 8.210 nan 0.000 0.418 396 V N 0.698 120.559 119.914 -0.088 0.000 2.531 396 V HA 0.296 4.413 4.120 -0.004 0.000 0.301 396 V C 0.158 176.270 176.094 0.031 0.000 1.034 396 V CA -0.536 61.742 62.300 -0.036 0.000 0.865 396 V CB 1.909 33.748 31.823 0.026 0.000 0.995 396 V HN 0.089 nan 8.190 nan 0.000 0.424 397 S N 2.272 117.995 115.700 0.037 0.000 2.652 397 S HA 0.899 5.366 4.470 -0.004 0.000 0.270 397 S C 0.399 175.147 174.600 0.246 0.000 1.243 397 S CA 0.117 58.409 58.200 0.154 0.000 0.999 397 S CB 1.731 65.012 63.200 0.134 0.000 0.973 397 S HN 1.173 nan 8.310 nan 0.000 0.544 398 G N -0.440 108.480 108.800 0.200 0.000 2.606 398 G HA2 0.549 4.507 3.960 -0.004 0.000 0.300 398 G HA3 0.549 4.507 3.960 -0.004 0.000 0.300 398 G C -1.841 172.883 174.900 -0.294 0.000 1.360 398 G CA -0.500 44.547 45.100 -0.088 0.000 0.783 398 G HN 0.621 nan 8.290 nan 0.000 0.484 399 V N 0.482 120.130 119.914 -0.443 0.000 2.435 399 V HA 0.344 4.462 4.120 -0.004 0.000 0.290 399 V C 1.210 177.259 176.094 -0.075 0.000 1.030 399 V CA -0.297 61.836 62.300 -0.278 0.000 0.881 399 V CB 1.471 33.053 31.823 -0.403 0.000 0.983 399 V HN 0.924 nan 8.190 nan 0.000 0.445 400 Q N 2.517 122.330 119.800 0.021 0.000 2.046 400 Q HA 0.196 4.534 4.340 -0.004 0.000 0.200 400 Q C 0.586 176.604 176.000 0.029 0.000 0.975 400 Q CA 1.526 57.349 55.803 0.035 0.000 0.836 400 Q CB 0.331 29.104 28.738 0.059 0.000 0.896 400 Q HN 0.960 nan 8.270 nan 0.000 0.428 401 A N -0.520 122.323 122.820 0.038 0.000 2.605 401 A HA 0.556 4.873 4.320 -0.004 0.000 0.294 401 A C -1.896 175.724 177.584 0.060 0.000 1.062 401 A CA -0.628 51.438 52.037 0.048 0.000 0.682 401 A CB 1.236 20.265 19.000 0.049 0.000 1.278 401 A HN 0.198 nan 8.150 nan 0.000 0.410 402 L N 2.619 123.895 121.223 0.088 0.000 2.529 402 L HA 0.390 4.728 4.340 -0.004 0.000 0.258 402 L C -2.666 174.280 176.870 0.127 0.000 1.032 402 L CA -1.781 53.115 54.840 0.095 0.000 0.899 402 L CB 2.456 44.574 42.059 0.097 0.000 1.174 402 L HN 0.509 nan 8.230 nan 0.000 0.458 403 P HA 0.230 nan 4.420 nan 0.000 0.282 403 P C -0.995 176.389 177.300 0.141 0.000 1.262 403 P CA -0.114 63.054 63.100 0.114 0.000 0.773 403 P CB 1.374 33.118 31.700 0.074 0.000 0.879 404 L N 3.905 125.253 121.223 0.208 0.000 2.334 404 L HA 0.678 5.016 4.340 -0.004 0.000 0.273 404 L C 0.460 177.499 176.870 0.281 0.000 1.013 404 L CA -1.189 53.828 54.840 0.296 0.000 0.816 404 L CB 2.226 44.515 42.059 0.384 0.000 1.278 404 L HN 0.223 nan 8.230 nan 0.000 0.431 405 V N -0.802 119.302 119.914 0.316 0.000 3.007 405 V HA 0.816 4.933 4.120 -0.004 0.000 0.311 405 V C -1.528 174.796 176.094 0.384 0.000 1.120 405 V CA -0.564 61.804 62.300 0.113 0.000 0.980 405 V CB 1.793 33.636 31.823 0.034 0.000 1.033 405 V HN 0.982 nan 8.190 nan 0.000 0.429 406 W N 1.144 122.512 121.300 0.113 0.000 3.059 406 W HA 0.736 5.394 4.660 -0.004 0.000 0.329 406 W C -1.803 174.753 176.519 0.063 0.000 1.246 406 W CA -0.685 56.729 57.345 0.115 0.000 1.190 406 W CB 0.920 30.480 29.460 0.166 0.000 1.423 406 W HN 0.712 nan 8.180 nan 0.000 0.571 407 D N 2.009 122.570 120.400 0.269 0.000 2.347 407 D HA 0.383 5.021 4.640 -0.004 0.000 0.235 407 D C -1.501 174.945 176.300 0.243 0.000 1.149 407 D CA -2.435 51.651 54.000 0.142 0.000 0.850 407 D CB 1.912 42.781 40.800 0.115 0.000 1.061 407 D HN 0.050 nan 8.370 nan 0.000 0.487 408 P HA -0.172 nan 4.420 nan 0.000 0.217 408 P C 0.962 178.343 177.300 0.134 0.000 1.148 408 P CA 1.562 64.775 63.100 0.188 0.000 0.834 408 P CB 0.188 31.933 31.700 0.074 0.000 0.783 409 A N -0.578 122.299 122.820 0.094 0.000 1.972 409 A HA -0.176 4.141 4.320 -0.004 0.000 0.219 409 A C 2.089 179.713 177.584 0.067 0.000 1.169 409 A CA 2.261 54.337 52.037 0.064 0.000 0.635 409 A CB -1.815 17.213 19.000 0.047 0.000 0.810 409 A HN 0.357 nan 8.150 nan 0.000 0.446 410 T N -2.084 112.528 114.554 0.097 0.000 3.113 410 T HA 0.108 4.455 4.350 -0.004 0.000 0.256 410 T C 0.944 175.675 174.700 0.053 0.000 1.131 410 T CA 0.852 62.998 62.100 0.077 0.000 1.074 410 T CB -1.027 67.900 68.868 0.099 0.000 0.944 410 T HN 0.592 nan 8.240 nan 0.000 0.516 411 T N -0.068 114.522 114.554 0.059 0.000 2.847 411 T HA 0.568 4.916 4.350 -0.004 0.000 0.279 411 T C -0.694 173.995 174.700 -0.018 0.000 0.984 411 T CA -0.896 61.201 62.100 -0.006 0.000 0.988 411 T CB 1.218 70.086 68.868 0.001 0.000 1.040 411 T HN 0.259 nan 8.240 nan 0.000 0.528 412 K N 0.734 121.101 120.400 -0.054 0.000 2.601 412 K HA 0.621 4.939 4.320 -0.004 0.000 0.249 412 K C -0.546 176.018 176.600 -0.059 0.000 0.966 412 K CA -0.744 55.518 56.287 -0.042 0.000 0.827 412 K CB 2.125 34.605 32.500 -0.035 0.000 1.178 412 K HN 0.879 nan 8.250 nan 0.000 0.437 413 A N 2.371 125.166 122.820 -0.042 0.000 2.332 413 A HA 0.491 4.808 4.320 -0.004 0.000 0.258 413 A C 0.052 177.613 177.584 -0.038 0.000 1.087 413 A CA -0.348 51.662 52.037 -0.046 0.000 0.802 413 A CB 0.601 19.584 19.000 -0.029 0.000 1.042 413 A HN 0.436 nan 8.150 nan 0.000 0.489 414 V N 0.000 119.891 119.914 -0.039 0.000 2.409 414 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 414 V CA 0.000 62.284 62.300 -0.027 0.000 1.235 414 V CB 0.000 31.805 31.823 -0.029 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556