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 2qbn_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVVG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENACPMHVD 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 53.034 53.050 -0.027 0.000 0.885 10 N CB 0.000 38.477 38.487 -0.016 0.000 1.341 11 L N 2.048 123.256 121.223 -0.026 0.000 2.296 11 L HA 0.717 5.055 4.340 -0.003 0.000 0.286 11 L C 0.912 177.783 176.870 0.002 0.000 1.023 11 L CA -0.871 53.955 54.840 -0.023 0.000 0.812 11 L CB 1.560 43.601 42.059 -0.030 0.000 1.223 11 L HN 0.632 nan 8.230 nan 0.000 0.421 12 A N 5.464 128.296 122.820 0.019 0.000 2.371 12 A HA 0.563 4.881 4.320 -0.003 0.000 0.257 12 A C -2.171 175.449 177.584 0.061 0.000 1.089 12 A CA -1.179 50.886 52.037 0.047 0.000 0.794 12 A CB -0.281 18.763 19.000 0.074 0.000 1.029 12 A HN 0.498 nan 8.150 nan 0.000 0.488 13 P HA 0.074 nan 4.420 nan 0.000 0.265 13 P C -0.417 176.898 177.300 0.024 0.000 1.193 13 P CA -0.222 62.894 63.100 0.026 0.000 0.765 13 P CB 0.402 32.112 31.700 0.016 0.000 0.823 14 L N 6.934 128.145 121.223 -0.020 0.000 2.513 14 L HA 0.170 4.508 4.340 -0.003 0.000 0.272 14 L C -2.028 174.724 176.870 -0.196 0.000 1.187 14 L CA -1.214 53.550 54.840 -0.126 0.000 0.895 14 L CB -0.912 41.053 42.059 -0.157 0.000 1.147 14 L HN 0.308 nan 8.230 nan 0.000 0.483 15 P HA 0.151 nan 4.420 nan 0.000 0.269 15 P C -2.114 175.038 177.300 -0.247 0.000 1.209 15 P CA -0.895 62.052 63.100 -0.255 0.000 0.776 15 P CB 0.178 31.656 31.700 -0.371 0.000 0.876 16 P HA -0.197 nan 4.420 nan 0.000 0.218 16 P C 1.032 178.322 177.300 -0.017 0.000 1.146 16 P CA 1.431 64.513 63.100 -0.030 0.000 0.813 16 P CB -0.337 31.379 31.700 0.026 0.000 0.778 17 H N -2.346 116.655 119.070 -0.115 0.000 2.539 17 H HA 0.154 4.708 4.556 -0.003 0.000 0.267 17 H C -0.043 175.237 175.328 -0.081 0.000 0.982 17 H CA 0.148 56.158 56.048 -0.064 0.000 1.146 17 H CB -0.608 29.149 29.762 -0.008 0.000 1.382 17 H HN -0.081 nan 8.280 nan 0.000 0.577 18 V N 5.775 125.294 119.914 -0.659 0.000 2.364 18 V HA 0.213 4.332 4.120 -0.003 0.000 0.272 18 V C -1.903 173.993 176.094 -0.331 0.000 1.036 18 V CA -1.546 60.372 62.300 -0.637 0.000 0.880 18 V CB 1.519 32.593 31.823 -1.249 0.000 0.991 18 V HN 0.264 nan 8.190 nan 0.000 0.460 19 P HA 0.169 nan 4.420 nan 0.000 0.275 19 P C 0.717 177.943 177.300 -0.124 0.000 1.227 19 P CA -0.346 62.708 63.100 -0.077 0.000 0.781 19 P CB 0.980 32.697 31.700 0.028 0.000 0.906 20 E N 2.672 122.862 120.200 -0.017 0.000 2.160 20 E HA -0.273 4.075 4.350 -0.003 0.000 0.195 20 E C 1.400 178.022 176.600 0.037 0.000 0.991 20 E CA 1.246 57.646 56.400 -0.000 0.000 0.810 20 E CB -0.838 28.881 29.700 0.032 0.000 0.742 20 E HN 0.628 nan 8.360 nan 0.000 0.466 21 H N 0.889 119.976 119.070 0.030 0.000 2.559 21 H HA 0.057 4.611 4.556 -0.003 0.000 0.273 21 H C 1.565 176.943 175.328 0.083 0.000 1.000 21 H CA 0.574 56.651 56.048 0.049 0.000 1.195 21 H CB -0.165 29.619 29.762 0.037 0.000 1.368 21 H HN 0.257 nan 8.280 nan 0.000 0.592 22 L N 1.261 122.300 121.223 -0.307 0.000 2.640 22 L HA 0.193 4.531 4.340 -0.003 0.000 0.230 22 L C 0.150 177.066 176.870 0.077 0.000 1.123 22 L CA -0.256 54.519 54.840 -0.109 0.000 0.900 22 L CB 0.774 42.781 42.059 -0.086 0.000 1.146 22 L HN -0.026 nan 8.230 nan 0.000 0.484 23 V N 0.853 120.808 119.914 0.070 0.000 2.455 23 V HA 0.076 4.194 4.120 -0.003 0.000 0.273 23 V C -0.613 175.596 176.094 0.191 0.000 1.045 23 V CA 0.159 62.537 62.300 0.129 0.000 0.976 23 V CB 0.930 32.795 31.823 0.071 0.000 0.993 23 V HN 0.080 nan 8.190 nan 0.000 0.475 24 F N 3.885 123.840 119.950 0.009 0.000 2.828 24 F HA 0.408 4.933 4.527 -0.003 0.000 0.355 24 F C 0.156 175.938 175.800 -0.029 0.000 1.200 24 F CA -0.888 57.109 58.000 -0.005 0.000 1.062 24 F CB 1.300 40.296 39.000 -0.006 0.000 1.351 24 F HN 0.508 nan 8.300 nan 0.000 0.504 25 D N 6.263 126.475 120.400 -0.314 0.000 2.662 25 D HA -0.027 4.611 4.640 -0.003 0.000 0.228 25 D C -0.295 175.852 176.300 -0.256 0.000 1.093 25 D CA 0.530 54.379 54.000 -0.252 0.000 1.075 25 D CB -0.328 40.339 40.800 -0.222 0.000 1.122 25 D HN 0.249 nan 8.370 nan 0.000 0.475 26 F N 1.714 121.499 119.950 -0.276 0.000 2.410 26 F HA 0.158 4.683 4.527 -0.003 0.000 0.348 26 F C 0.351 176.008 175.800 -0.237 0.000 1.106 26 F CA -0.842 57.023 58.000 -0.225 0.000 1.163 26 F CB 0.982 39.931 39.000 -0.086 0.000 1.129 26 F HN -0.129 nan 8.300 nan 0.000 0.516 27 D N 7.227 127.079 120.400 -0.913 0.000 2.454 27 D HA 0.107 4.745 4.640 -0.003 0.000 0.225 27 D C 0.943 176.688 176.300 -0.925 0.000 1.081 27 D CA -0.427 53.197 54.000 -0.626 0.000 0.864 27 D CB 0.924 41.495 40.800 -0.381 0.000 1.040 27 D HN 0.757 nan 8.370 nan 0.000 0.517 28 M N 1.897 121.121 119.600 -0.628 0.000 2.446 28 M HA -0.102 4.376 4.480 -0.003 0.000 0.263 28 M C 0.208 176.282 176.300 -0.377 0.000 1.066 28 M CA 1.271 56.254 55.300 -0.529 0.000 1.087 28 M CB -0.194 32.279 32.600 -0.212 0.000 1.406 28 M HN 0.226 nan 8.290 nan 0.000 0.459 29 Y N 0.454 120.687 120.300 -0.112 0.000 2.462 29 Y HA 0.284 4.832 4.550 -0.003 0.000 0.261 29 Y C 0.586 176.454 175.900 -0.053 0.000 1.146 29 Y CA -0.048 58.036 58.100 -0.026 0.000 1.283 29 Y CB 0.554 39.003 38.460 -0.019 0.000 1.090 29 Y HN 0.456 nan 8.280 nan 0.000 0.526 30 N N 0.888 119.561 118.700 -0.045 0.000 2.805 30 N HA 0.092 4.830 4.740 -0.003 0.000 0.216 30 N C -3.238 172.141 175.510 -0.217 0.000 1.447 30 N CA -1.102 51.908 53.050 -0.067 0.000 0.785 30 N CB 0.891 39.360 38.487 -0.031 0.000 1.458 30 N HN -0.182 nan 8.380 nan 0.000 0.547 31 P HA 0.078 nan 4.420 nan 0.000 0.268 31 P C 0.729 177.913 177.300 -0.194 0.000 1.204 31 P CA 0.075 62.897 63.100 -0.464 0.000 0.768 31 P CB 1.542 32.962 31.700 -0.467 0.000 0.842 32 S N 2.572 118.164 115.700 -0.180 0.000 2.381 32 S HA -0.224 4.244 4.470 -0.003 0.000 0.230 32 S C 1.343 175.933 174.600 -0.017 0.000 1.052 32 S CA 1.976 60.127 58.200 -0.082 0.000 1.068 32 S CB -0.764 62.395 63.200 -0.069 0.000 0.918 32 S HN 0.611 nan 8.310 nan 0.000 0.448 33 N N 0.826 119.542 118.700 0.027 0.000 2.346 33 N HA 0.245 4.983 4.740 -0.003 0.000 0.225 33 N C 0.866 176.422 175.510 0.075 0.000 1.144 33 N CA -0.136 52.947 53.050 0.055 0.000 0.837 33 N CB 0.011 38.547 38.487 0.082 0.000 1.069 33 N HN 0.131 nan 8.380 nan 0.000 0.487 34 L N 0.391 121.655 121.223 0.068 0.000 2.129 34 L HA -0.223 4.115 4.340 -0.003 0.000 0.212 34 L C 2.111 179.028 176.870 0.078 0.000 1.087 34 L CA 1.694 56.598 54.840 0.106 0.000 0.757 34 L CB -0.898 41.218 42.059 0.095 0.000 0.896 34 L HN 0.317 nan 8.230 nan 0.000 0.434 35 S N -1.067 114.659 115.700 0.043 0.000 2.419 35 S HA -0.117 4.351 4.470 -0.003 0.000 0.235 35 S C 1.921 176.522 174.600 0.003 0.000 1.019 35 S CA 0.783 58.993 58.200 0.015 0.000 0.982 35 S CB -0.839 62.369 63.200 0.014 0.000 0.789 35 S HN 0.501 nan 8.310 nan 0.000 0.490 36 A N 1.036 123.875 122.820 0.032 0.000 2.238 36 A HA 0.583 4.901 4.320 -0.003 0.000 0.208 36 A C 1.161 178.772 177.584 0.045 0.000 1.177 36 A CA 0.349 52.409 52.037 0.037 0.000 0.804 36 A CB -0.761 18.274 19.000 0.058 0.000 0.823 36 A HN 1.595 nan 8.150 nan 0.000 0.482 37 G N -2.358 106.466 108.800 0.039 0.000 2.627 37 G HA2 0.112 4.070 3.960 -0.003 0.000 0.680 37 G HA3 0.112 4.070 3.960 -0.003 0.000 0.680 37 G C 0.362 175.450 174.900 0.314 0.000 1.341 37 G CA -0.185 44.975 45.100 0.101 0.000 0.835 37 G HN 0.800 nan 8.290 nan 0.000 0.643 38 V N 1.360 121.635 119.914 0.602 0.000 2.358 38 V HA -0.141 3.977 4.120 -0.003 0.000 0.246 38 V C 2.697 179.011 176.094 0.367 0.000 1.047 38 V CA 3.310 65.892 62.300 0.470 0.000 1.035 38 V CB -0.311 31.780 31.823 0.446 0.000 0.658 38 V HN 0.803 nan 8.190 nan 0.000 0.452 39 Q N -0.010 119.893 119.800 0.171 0.000 2.084 39 Q HA -0.222 4.117 4.340 -0.003 0.000 0.202 39 Q C 2.087 178.173 176.000 0.143 0.000 0.978 39 Q CA 2.217 58.048 55.803 0.048 0.000 0.844 39 Q CB -0.282 28.388 28.738 -0.115 0.000 0.898 39 Q HN 0.699 nan 8.270 nan 0.000 0.426 40 E N -0.009 120.284 120.200 0.154 0.000 2.106 40 E HA -0.119 4.229 4.350 -0.003 0.000 0.192 40 E C 1.780 178.488 176.600 0.181 0.000 0.984 40 E CA 1.142 57.621 56.400 0.133 0.000 0.806 40 E CB -0.287 29.482 29.700 0.114 0.000 0.750 40 E HN 0.409 nan 8.360 nan 0.000 0.458 41 A N -0.135 122.840 122.820 0.257 0.000 1.898 41 A HA -0.153 4.165 4.320 -0.003 0.000 0.216 41 A C 1.693 179.477 177.584 0.333 0.000 1.181 41 A CA 1.164 53.363 52.037 0.270 0.000 0.620 41 A CB -0.890 18.274 19.000 0.273 0.000 0.819 41 A HN 0.351 nan 8.150 nan 0.000 0.442 42 W N -0.319 121.092 121.300 0.185 0.000 2.436 42 W HA 0.134 4.793 4.660 -0.002 0.000 0.284 42 W C 2.608 179.075 176.519 -0.087 0.000 1.225 42 W CA 0.972 58.354 57.345 0.062 0.000 1.271 42 W CB -0.316 29.151 29.460 0.012 0.000 1.114 42 W HN 0.357 nan 8.180 nan 0.000 0.559 43 A N 0.468 123.392 122.820 0.175 0.000 2.125 43 A HA -0.139 4.179 4.320 -0.003 0.000 0.219 43 A C 1.994 179.580 177.584 0.002 0.000 1.156 43 A CA 1.862 53.928 52.037 0.049 0.000 0.671 43 A CB -1.234 17.787 19.000 0.034 0.000 0.794 43 A HN 0.276 nan 8.150 nan 0.000 0.459 44 V N -2.391 117.548 119.914 0.042 0.000 2.720 44 V HA -0.157 3.961 4.120 -0.003 0.000 0.256 44 V C 1.958 177.995 176.094 -0.095 0.000 1.082 44 V CA 1.832 64.159 62.300 0.045 0.000 1.101 44 V CB -0.920 31.011 31.823 0.181 0.000 0.693 44 V HN 0.458 nan 8.190 nan 0.000 0.479 45 L N -0.326 120.773 121.223 -0.208 0.000 2.465 45 L HA 0.004 4.343 4.340 -0.003 0.000 0.224 45 L C 2.360 179.040 176.870 -0.317 0.000 1.145 45 L CA 1.161 55.753 54.840 -0.414 0.000 0.834 45 L CB -0.379 41.410 42.059 -0.450 0.000 0.944 45 L HN 0.423 nan 8.230 nan 0.000 0.451 46 Q N -0.619 119.065 119.800 -0.193 0.000 2.172 46 Q HA 0.143 4.481 4.340 -0.003 0.000 0.217 46 Q C -0.146 175.781 176.000 -0.121 0.000 0.832 46 Q CA -0.178 55.536 55.803 -0.149 0.000 1.010 46 Q CB 0.680 29.354 28.738 -0.107 0.000 1.133 46 Q HN 0.423 nan 8.270 nan 0.000 0.489 47 E N 0.406 120.529 120.200 -0.128 0.000 2.392 47 E HA -0.007 4.341 4.350 -0.003 0.000 0.259 47 E C 0.981 177.529 176.600 -0.087 0.000 1.108 47 E CA 0.249 56.599 56.400 -0.082 0.000 0.916 47 E CB 0.911 30.581 29.700 -0.049 0.000 0.989 47 E HN 0.212 nan 8.360 nan 0.000 0.432 48 S N 2.398 118.065 115.700 -0.056 0.000 2.381 48 S HA -0.355 4.114 4.470 -0.003 0.000 0.230 48 S C 1.271 175.842 174.600 -0.048 0.000 1.052 48 S CA 2.211 60.382 58.200 -0.048 0.000 1.068 48 S CB -0.774 62.408 63.200 -0.030 0.000 0.918 48 S HN 0.772 nan 8.310 nan 0.000 0.448 49 N N 0.804 119.481 118.700 -0.037 0.000 2.461 49 N HA 0.110 4.848 4.740 -0.003 0.000 0.188 49 N C -0.441 175.039 175.510 -0.051 0.000 1.134 49 N CA -0.020 53.017 53.050 -0.023 0.000 0.878 49 N CB -0.073 38.421 38.487 0.012 0.000 0.972 49 N HN 0.284 nan 8.380 nan 0.000 0.456 50 V N 2.053 121.892 119.914 -0.125 0.000 2.407 50 V HA 0.297 4.415 4.120 -0.003 0.000 0.278 50 V C -1.847 174.152 176.094 -0.159 0.000 1.037 50 V CA -1.649 60.518 62.300 -0.222 0.000 0.900 50 V CB 1.031 32.584 31.823 -0.451 0.000 0.983 50 V HN 0.076 nan 8.190 nan 0.000 0.459 51 P HA 0.124 nan 4.420 nan 0.000 0.271 51 P C 0.323 177.565 177.300 -0.096 0.000 1.233 51 P CA -0.220 62.844 63.100 -0.060 0.000 0.789 51 P CB 0.622 32.323 31.700 0.002 0.000 0.951 52 D N -0.440 119.907 120.400 -0.089 0.000 2.178 52 D HA -0.028 4.610 4.640 -0.003 0.000 0.202 52 D C 0.333 176.571 176.300 -0.104 0.000 0.974 52 D CA 1.382 55.305 54.000 -0.129 0.000 0.841 52 D CB -0.113 40.579 40.800 -0.181 0.000 0.953 52 D HN 0.051 nan 8.370 nan 0.000 0.478 53 L N 0.666 121.865 121.223 -0.040 0.000 2.406 53 L HA 0.360 4.699 4.340 -0.003 0.000 0.272 53 L C -0.748 176.234 176.870 0.186 0.000 0.980 53 L CA -0.966 53.910 54.840 0.059 0.000 0.831 53 L CB 1.789 43.860 42.059 0.020 0.000 1.253 53 L HN -0.152 nan 8.230 nan 0.000 0.406 54 V N 1.616 121.683 119.914 0.255 0.000 3.113 54 V HA 0.696 4.815 4.120 -0.003 0.000 0.316 54 V C -1.367 174.969 176.094 0.403 0.000 1.125 54 V CA -0.780 61.696 62.300 0.293 0.000 1.026 54 V CB 2.135 34.037 31.823 0.130 0.000 1.080 54 V HN 0.919 nan 8.190 nan 0.000 0.444 55 W N 1.810 123.108 121.300 -0.002 0.000 2.600 55 W HA 0.668 5.326 4.660 -0.003 0.000 0.325 55 W C -1.024 175.352 176.519 -0.238 0.000 1.034 55 W CA -0.229 56.921 57.345 -0.325 0.000 1.226 55 W CB 1.927 30.949 29.460 -0.729 0.000 1.379 55 W HN 0.888 nan 8.180 nan 0.000 0.466 56 T N 5.156 119.216 114.554 -0.823 0.000 2.824 56 T HA 0.391 4.740 4.350 -0.003 0.000 0.280 56 T C 0.876 175.120 174.700 -0.761 0.000 0.995 56 T CA -0.435 61.315 62.100 -0.583 0.000 1.009 56 T CB 1.184 69.748 68.868 -0.507 0.000 0.955 56 T HN 0.628 nan 8.240 nan 0.000 0.452 57 R N 1.996 122.321 120.500 -0.291 0.000 2.310 57 R HA 0.206 4.544 4.340 -0.003 0.000 0.202 57 R C 0.491 176.700 176.300 -0.151 0.000 0.933 57 R CA -0.200 55.826 56.100 -0.123 0.000 1.054 57 R CB -0.284 30.029 30.300 0.022 0.000 0.985 57 R HN 0.549 nan 8.270 nan 0.000 0.489 58 C N 1.209 120.380 119.300 -0.216 0.000 2.595 58 C HA 0.120 4.578 4.460 -0.003 0.000 0.384 58 C C 0.864 175.817 174.990 -0.061 0.000 1.289 58 C CA -0.487 58.453 59.018 -0.130 0.000 2.372 58 C CB 0.085 27.739 27.740 -0.143 0.000 2.593 58 C HN 0.677 nan 8.230 nan 0.000 0.639 59 N N 0.591 119.301 118.700 0.017 0.000 2.727 59 N HA -0.151 4.588 4.740 -0.003 0.000 0.249 59 N C 0.755 176.313 175.510 0.081 0.000 1.048 59 N CA 0.896 53.998 53.050 0.088 0.000 0.714 59 N CB -1.144 37.462 38.487 0.198 0.000 0.959 59 N HN 1.370 nan 8.380 nan 0.000 0.544 60 G N -1.867 106.955 108.800 0.037 0.000 2.241 60 G HA2 0.076 4.035 3.960 -0.003 0.000 0.244 60 G HA3 0.076 4.035 3.960 -0.003 0.000 0.244 60 G C 0.554 175.476 174.900 0.037 0.000 0.998 60 G CA 0.346 45.475 45.100 0.048 0.000 0.621 60 G HN 1.631 nan 8.290 nan 0.000 0.519 61 G N -0.755 107.990 108.800 -0.090 0.000 3.209 61 G HA2 0.580 4.538 3.960 -0.003 0.000 0.686 61 G HA3 0.580 4.538 3.960 -0.003 0.000 0.686 61 G C -0.546 173.900 174.900 -0.756 0.000 1.065 61 G CA 0.632 45.496 45.100 -0.393 0.000 0.812 61 G HN 2.887 nan 8.290 nan 0.000 0.573 62 H N -1.627 116.450 119.070 -1.654 0.000 2.969 62 H HA 0.635 5.189 4.556 -0.003 0.000 0.304 62 H C -0.691 173.970 175.328 -1.113 0.000 1.400 62 H CA -1.598 53.714 56.048 -1.227 0.000 1.182 62 H CB 0.053 29.567 29.762 -0.414 0.000 1.865 62 H HN 0.679 nan 8.280 nan 0.000 0.512 63 W N 0.942 122.163 121.300 -0.131 0.000 2.215 63 W HA 0.628 5.286 4.660 -0.003 0.000 0.342 63 W C -0.233 176.365 176.519 0.131 0.000 1.237 63 W CA -0.551 56.850 57.345 0.092 0.000 1.283 63 W CB 0.835 30.458 29.460 0.272 0.000 1.131 63 W HN 0.456 nan 8.180 nan 0.000 0.606 64 I N 2.381 123.169 120.570 0.363 0.000 2.548 64 I HA 0.350 4.518 4.170 -0.003 0.000 0.287 64 I C -0.364 175.835 176.117 0.137 0.000 1.103 64 I CA -1.120 60.305 61.300 0.208 0.000 1.049 64 I CB 1.374 39.429 38.000 0.092 0.000 1.232 64 I HN 0.442 nan 8.210 nan 0.000 0.429 65 A N 3.272 126.137 122.820 0.075 0.000 2.328 65 A HA 0.529 4.847 4.320 -0.003 0.000 0.284 65 A C 0.910 178.471 177.584 -0.039 0.000 1.160 65 A CA -0.089 51.951 52.037 0.005 0.000 0.818 65 A CB 0.325 19.304 19.000 -0.035 0.000 1.087 65 A HN 0.852 nan 8.150 nan 0.000 0.504 66 T N -0.334 114.171 114.554 -0.082 0.000 3.023 66 T HA 0.245 4.593 4.350 -0.003 0.000 0.253 66 T C 0.583 175.216 174.700 -0.111 0.000 1.038 66 T CA -0.097 61.937 62.100 -0.111 0.000 0.962 66 T CB 0.081 68.849 68.868 -0.166 0.000 1.018 66 T HN 0.512 nan 8.240 nan 0.000 0.521 67 R N 0.375 120.803 120.500 -0.119 0.000 2.740 67 R HA 0.601 4.939 4.340 -0.003 0.000 0.282 67 R C 1.517 177.752 176.300 -0.109 0.000 0.969 67 R CA -0.345 55.684 56.100 -0.119 0.000 0.918 67 R CB 1.119 31.334 30.300 -0.142 0.000 1.175 67 R HN 0.217 nan 8.270 nan 0.000 0.464 68 G N 1.088 109.833 108.800 -0.092 0.000 2.469 68 G HA2 -0.342 3.616 3.960 -0.003 0.000 0.220 68 G HA3 -0.342 3.616 3.960 -0.003 0.000 0.220 68 G C 1.067 175.911 174.900 -0.094 0.000 1.136 68 G CA 0.913 45.962 45.100 -0.085 0.000 0.759 68 G HN 0.665 nan 8.290 nan 0.000 0.562 69 Q N -0.505 119.236 119.800 -0.099 0.000 2.061 69 Q HA -0.107 4.231 4.340 -0.003 0.000 0.204 69 Q C 2.446 178.394 176.000 -0.086 0.000 0.984 69 Q CA 1.297 57.050 55.803 -0.084 0.000 0.846 69 Q CB -0.195 28.491 28.738 -0.087 0.000 0.902 69 Q HN 0.401 nan 8.270 nan 0.000 0.421 70 L N 0.384 121.498 121.223 -0.181 0.000 2.109 70 L HA -0.103 4.235 4.340 -0.003 0.000 0.207 70 L C 2.229 179.087 176.870 -0.020 0.000 1.086 70 L CA 1.187 55.931 54.840 -0.159 0.000 0.760 70 L CB -0.393 41.473 42.059 -0.323 0.000 0.910 70 L HN 0.294 nan 8.230 nan 0.000 0.437 71 I N -0.852 119.671 120.570 -0.077 0.000 2.179 71 I HA -0.317 3.851 4.170 -0.003 0.000 0.242 71 I C 2.636 178.746 176.117 -0.012 0.000 1.088 71 I CA 1.250 62.497 61.300 -0.089 0.000 1.357 71 I CB -0.251 37.736 38.000 -0.021 0.000 1.051 71 I HN 0.201 nan 8.210 nan 0.000 0.409 72 R N 0.538 121.024 120.500 -0.024 0.000 2.081 72 R HA -0.159 4.180 4.340 -0.003 0.000 0.235 72 R C 2.222 178.624 176.300 0.170 0.000 1.131 72 R CA 1.389 57.443 56.100 -0.077 0.000 0.960 72 R CB -0.300 29.808 30.300 -0.320 0.000 0.856 72 R HN 0.419 nan 8.270 nan 0.000 0.436 73 E N 0.426 120.718 120.200 0.154 0.000 2.058 73 E HA -0.199 4.150 4.350 -0.003 0.000 0.194 73 E C 2.064 178.788 176.600 0.207 0.000 0.997 73 E CA 1.266 57.825 56.400 0.264 0.000 0.801 73 E CB -0.114 29.825 29.700 0.398 0.000 0.746 73 E HN 0.379 nan 8.360 nan 0.000 0.450 74 A N 0.449 123.236 122.820 -0.055 0.000 1.930 74 A HA -0.176 4.142 4.320 -0.003 0.000 0.217 74 A C 1.793 179.233 177.584 -0.240 0.000 1.175 74 A CA 1.146 52.808 52.037 -0.625 0.000 0.627 74 A CB -0.650 17.522 19.000 -1.380 0.000 0.815 74 A HN 0.253 nan 8.150 nan 0.000 0.443 75 Y N 0.515 120.834 120.300 0.032 0.000 2.352 75 Y HA -0.092 4.457 4.550 -0.003 0.000 0.292 75 Y C 2.317 178.360 175.900 0.238 0.000 1.136 75 Y CA 1.321 59.519 58.100 0.163 0.000 1.227 75 Y CB -0.231 38.367 38.460 0.230 0.000 0.991 75 Y HN 0.498 nan 8.280 nan 0.000 0.545 76 E N -0.957 119.476 120.200 0.389 0.000 2.230 76 E HA -0.109 4.239 4.350 -0.003 0.000 0.192 76 E C 0.325 177.072 176.600 0.244 0.000 0.987 76 E CA 0.677 57.257 56.400 0.299 0.000 0.841 76 E CB 0.080 29.939 29.700 0.266 0.000 0.783 76 E HN 0.136 nan 8.360 nan 0.000 0.481 77 D N 0.399 120.941 120.400 0.237 0.000 2.563 77 D HA -0.016 4.622 4.640 -0.003 0.000 0.222 77 D C 0.359 176.738 176.300 0.131 0.000 1.145 77 D CA -0.431 53.640 54.000 0.119 0.000 1.001 77 D CB -0.100 40.852 40.800 0.254 0.000 1.049 77 D HN 0.173 nan 8.370 nan 0.000 0.515 78 Y N 1.050 121.434 120.300 0.141 0.000 2.571 78 Y HA 0.136 4.684 4.550 -0.003 0.000 0.294 78 Y C 1.789 177.688 175.900 -0.001 0.000 1.141 78 Y CA 0.232 58.403 58.100 0.119 0.000 1.308 78 Y CB -0.315 38.220 38.460 0.125 0.000 1.002 78 Y HN 0.073 nan 8.280 nan 0.000 0.551 79 R N -0.224 120.039 120.500 -0.395 0.000 2.092 79 R HA -0.073 4.265 4.340 -0.003 0.000 0.231 79 R C 1.294 177.306 176.300 -0.479 0.000 1.119 79 R CA 1.901 57.755 56.100 -0.410 0.000 0.970 79 R CB -0.374 29.560 30.300 -0.610 0.000 0.864 79 R HN 0.570 nan 8.270 nan 0.000 0.440 80 H N -2.007 116.809 119.070 -0.423 0.000 2.516 80 H HA 0.124 4.678 4.556 -0.003 0.000 0.284 80 H C -0.270 174.621 175.328 -0.729 0.000 0.999 80 H CA 0.169 55.782 56.048 -0.725 0.000 1.303 80 H CB 0.499 29.468 29.762 -1.322 0.000 1.452 80 H HN -0.048 nan 8.280 nan 0.000 0.530 81 F N 1.188 121.120 119.950 -0.029 0.000 2.307 81 F HA 0.300 4.825 4.527 -0.003 0.000 0.369 81 F C 0.264 176.096 175.800 0.054 0.000 1.076 81 F CA -0.708 57.282 58.000 -0.016 0.000 1.149 81 F CB 1.189 40.141 39.000 -0.081 0.000 1.410 81 F HN -0.099 nan 8.300 nan 0.000 0.481 82 S N 0.942 116.741 115.700 0.165 0.000 2.586 82 S HA 0.252 4.720 4.470 -0.003 0.000 0.274 82 S C 1.128 175.801 174.600 0.122 0.000 1.281 82 S CA -0.233 58.056 58.200 0.148 0.000 1.035 82 S CB 0.887 64.141 63.200 0.090 0.000 0.962 82 S HN 0.633 nan 8.310 nan 0.000 0.512 83 S N 2.433 118.195 115.700 0.104 0.000 2.593 83 S HA 0.087 4.555 4.470 -0.003 0.000 0.217 83 S C 1.298 175.887 174.600 -0.019 0.000 0.966 83 S CA 0.375 58.577 58.200 0.003 0.000 0.914 83 S CB -0.255 62.885 63.200 -0.099 0.000 0.776 83 S HN 0.864 nan 8.310 nan 0.000 0.523 84 E N 0.292 120.507 120.200 0.025 0.000 2.160 84 E HA -0.178 4.170 4.350 -0.003 0.000 0.195 84 E C 0.162 176.751 176.600 -0.018 0.000 0.991 84 E CA 1.082 57.493 56.400 0.018 0.000 0.810 84 E CB 0.004 29.724 29.700 0.033 0.000 0.742 84 E HN 0.585 nan 8.360 nan 0.000 0.466 85 C N 1.481 120.762 119.300 -0.032 0.000 3.002 85 C HA 0.428 4.886 4.460 -0.003 0.000 0.248 85 C C -2.018 172.925 174.990 -0.079 0.000 1.153 85 C CA -1.578 57.404 59.018 -0.061 0.000 1.502 85 C CB 1.002 28.737 27.740 -0.008 0.000 1.805 85 C HN 0.284 nan 8.230 nan 0.000 0.450 86 P HA 0.126 nan 4.420 nan 0.000 0.251 86 P C 0.123 177.490 177.300 0.111 0.000 1.223 86 P CA 0.459 63.477 63.100 -0.136 0.000 0.796 86 P CB 0.190 31.681 31.700 -0.350 0.000 1.068 87 F N 0.073 119.832 119.950 -0.319 0.000 2.507 87 F HA 0.436 4.961 4.527 -0.003 0.000 0.327 87 F C 0.721 176.429 175.800 -0.154 0.000 1.068 87 F CA -1.543 56.319 58.000 -0.229 0.000 0.965 87 F CB 1.815 40.650 39.000 -0.276 0.000 1.192 87 F HN -0.355 nan 8.300 nan 0.000 0.476 88 I N 3.817 124.401 120.570 0.024 0.000 2.441 88 I HA 0.304 4.473 4.170 -0.003 0.000 0.295 88 I C -2.095 174.113 176.117 0.151 0.000 0.994 88 I CA -2.640 58.647 61.300 -0.022 0.000 1.144 88 I CB 1.510 39.352 38.000 -0.263 0.000 1.314 88 I HN 0.247 nan 8.210 nan 0.000 0.445 89 P HA 0.208 nan 4.420 nan 0.000 0.274 89 P C 0.671 177.997 177.300 0.043 0.000 1.256 89 P CA -0.453 62.692 63.100 0.076 0.000 0.795 89 P CB 1.238 32.978 31.700 0.066 0.000 1.038 90 R N 0.877 121.400 120.500 0.039 0.000 2.103 90 R HA -0.180 4.158 4.340 -0.003 0.000 0.242 90 R C 2.144 178.450 176.300 0.011 0.000 1.142 90 R CA 2.038 58.156 56.100 0.030 0.000 0.960 90 R CB -0.317 30.013 30.300 0.050 0.000 0.858 90 R HN 0.551 nan 8.270 nan 0.000 0.439 91 E N 0.108 120.320 120.200 0.021 0.000 2.160 91 E HA -0.197 4.151 4.350 -0.003 0.000 0.195 91 E C 1.708 178.302 176.600 -0.011 0.000 0.991 91 E CA 1.384 57.796 56.400 0.019 0.000 0.810 91 E CB -0.301 29.422 29.700 0.039 0.000 0.742 91 E HN 0.463 nan 8.360 nan 0.000 0.466 92 A N 1.903 124.701 122.820 -0.037 0.000 1.872 92 A HA 0.066 4.384 4.320 -0.003 0.000 0.214 92 A C 2.593 179.911 177.584 -0.443 0.000 1.187 92 A CA 1.561 53.462 52.037 -0.227 0.000 0.614 92 A CB -1.176 17.791 19.000 -0.056 0.000 0.826 92 A HN 0.402 nan 8.150 nan 0.000 0.442 93 G N -0.471 108.215 108.800 -0.190 0.000 2.432 93 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.219 93 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.219 93 G C 1.421 176.230 174.900 -0.153 0.000 1.135 93 G CA 1.019 46.006 45.100 -0.188 0.000 0.767 93 G HN 0.651 nan 8.290 nan 0.000 0.550 94 E N 0.318 120.462 120.200 -0.093 0.000 2.072 94 E HA 0.049 4.397 4.350 -0.003 0.000 0.190 94 E C 2.871 179.442 176.600 -0.048 0.000 0.982 94 E CA 0.683 57.055 56.400 -0.046 0.000 0.803 94 E CB -0.109 29.585 29.700 -0.010 0.000 0.755 94 E HN 0.407 nan 8.360 nan 0.000 0.453 95 A N 0.779 123.561 122.820 -0.064 0.000 2.014 95 A HA -0.126 4.192 4.320 -0.003 0.000 0.218 95 A C 0.771 178.328 177.584 -0.046 0.000 1.163 95 A CA 0.245 52.285 52.037 0.005 0.000 0.652 95 A CB -0.452 18.646 19.000 0.163 0.000 0.808 95 A HN 0.311 nan 8.150 nan 0.000 0.449 96 Y N 2.471 122.519 120.300 -0.420 0.000 2.713 96 Y HA 0.176 4.724 4.550 -0.003 0.000 0.341 96 Y C 0.262 175.947 175.900 -0.359 0.000 1.167 96 Y CA -0.148 57.622 58.100 -0.550 0.000 1.503 96 Y CB 0.398 38.322 38.460 -0.894 0.000 1.199 96 Y HN 0.455 nan 8.280 nan 0.000 0.525 97 D N 3.916 124.027 120.400 -0.482 0.000 2.636 97 D HA 0.032 4.670 4.640 -0.003 0.000 0.270 97 D C -0.605 175.603 176.300 -0.153 0.000 1.430 97 D CA -0.366 53.523 54.000 -0.184 0.000 0.796 97 D CB -0.970 39.783 40.800 -0.078 0.000 1.117 97 D HN 0.149 nan 8.370 nan 0.000 0.480 98 F N 1.129 120.907 119.950 -0.287 0.000 2.545 98 F HA 0.227 4.753 4.527 -0.003 0.000 0.348 98 F C 1.186 176.959 175.800 -0.045 0.000 1.163 98 F CA -0.514 57.378 58.000 -0.180 0.000 1.331 98 F CB 0.388 39.188 39.000 -0.333 0.000 1.138 98 F HN -0.081 nan 8.300 nan 0.000 0.602 99 I N 4.007 124.669 120.570 0.155 0.000 2.441 99 I HA 0.250 4.419 4.170 -0.003 0.000 0.295 99 I C -1.883 174.283 176.117 0.082 0.000 0.994 99 I CA -2.765 58.537 61.300 0.003 0.000 1.144 99 I CB 1.683 39.532 38.000 -0.252 0.000 1.314 99 I HN 0.270 nan 8.210 nan 0.000 0.445 100 P HA 0.058 nan 4.420 nan 0.000 0.261 100 P C 1.241 178.713 177.300 0.287 0.000 1.268 100 P CA 0.342 63.534 63.100 0.154 0.000 0.833 100 P CB 0.020 31.836 31.700 0.192 0.000 1.231 101 T N -2.696 112.035 114.554 0.296 0.000 2.946 101 T HA -0.137 4.211 4.350 -0.003 0.000 0.271 101 T C 1.588 176.372 174.700 0.139 0.000 1.104 101 T CA 1.623 63.863 62.100 0.234 0.000 1.114 101 T CB -1.093 67.970 68.868 0.325 0.000 0.867 101 T HN 0.225 nan 8.240 nan 0.000 0.513 102 S N -0.168 115.675 115.700 0.240 0.000 2.577 102 S HA 0.437 4.905 4.470 -0.003 0.000 0.219 102 S C 0.369 175.032 174.600 0.105 0.000 0.962 102 S CA -0.822 57.472 58.200 0.157 0.000 0.921 102 S CB -0.489 62.838 63.200 0.212 0.000 0.789 102 S HN 0.485 nan 8.310 nan 0.000 0.497 103 M N 1.775 121.471 119.600 0.159 0.000 2.598 103 M HA 0.538 5.017 4.480 -0.003 0.000 0.317 103 M C -1.078 175.355 176.300 0.222 0.000 1.179 103 M CA -0.676 54.714 55.300 0.149 0.000 0.936 103 M CB 1.565 34.233 32.600 0.113 0.000 1.713 103 M HN 0.013 nan 8.290 nan 0.000 0.460 104 D N 1.400 121.880 120.400 0.134 0.000 2.326 104 D HA 0.519 5.157 4.640 -0.003 0.000 0.248 104 D C -2.500 173.749 176.300 -0.085 0.000 1.001 104 D CA -1.266 52.781 54.000 0.078 0.000 0.961 104 D CB 1.366 42.232 40.800 0.111 0.000 1.183 104 D HN 0.155 nan 8.370 nan 0.000 0.502 105 P HA 0.121 nan 4.420 nan 0.000 0.272 105 P C -1.676 175.511 177.300 -0.189 0.000 1.230 105 P CA -0.827 62.041 63.100 -0.387 0.000 0.788 105 P CB 0.431 31.643 31.700 -0.813 0.000 0.949 106 P HA -0.058 nan 4.420 nan 0.000 0.224 106 P C 0.954 178.236 177.300 -0.030 0.000 1.157 106 P CA 1.168 64.230 63.100 -0.062 0.000 0.799 106 P CB 0.283 31.975 31.700 -0.014 0.000 0.809 107 E N 0.539 120.751 120.200 0.020 0.000 2.171 107 E HA -0.213 4.135 4.350 -0.003 0.000 0.197 107 E C 2.258 178.961 176.600 0.172 0.000 0.997 107 E CA 1.036 57.493 56.400 0.095 0.000 0.810 107 E CB -0.853 28.927 29.700 0.134 0.000 0.738 107 E HN 0.382 nan 8.360 nan 0.000 0.467 108 Q N 0.554 120.416 119.800 0.103 0.000 2.096 108 Q HA -0.217 4.121 4.340 -0.003 0.000 0.204 108 Q C 1.964 178.029 176.000 0.108 0.000 0.982 108 Q CA 1.401 57.284 55.803 0.133 0.000 0.850 108 Q CB -0.014 28.706 28.738 -0.029 0.000 0.901 108 Q HN 0.247 nan 8.270 nan 0.000 0.422 109 R N 0.440 120.931 120.500 -0.016 0.000 2.103 109 R HA -0.227 4.111 4.340 -0.003 0.000 0.242 109 R C 2.537 178.808 176.300 -0.048 0.000 1.142 109 R CA 2.038 58.110 56.100 -0.048 0.000 0.960 109 R CB -0.544 29.709 30.300 -0.078 0.000 0.858 109 R HN 0.599 nan 8.270 nan 0.000 0.439 110 Q N 0.001 119.736 119.800 -0.108 0.000 2.124 110 Q HA -0.153 4.185 4.340 -0.003 0.000 0.202 110 Q C 1.661 177.497 176.000 -0.274 0.000 0.977 110 Q CA 1.589 57.246 55.803 -0.243 0.000 0.850 110 Q CB -0.384 28.111 28.738 -0.405 0.000 0.901 110 Q HN 0.345 nan 8.270 nan 0.000 0.429 111 F N 0.937 120.882 119.950 -0.009 0.000 2.293 111 F HA 0.119 4.645 4.527 -0.003 0.000 0.297 111 F C 2.692 178.495 175.800 0.005 0.000 1.089 111 F CA 0.685 58.688 58.000 0.006 0.000 1.377 111 F CB -0.098 38.917 39.000 0.025 0.000 1.051 111 F HN -0.023 nan 8.300 nan 0.000 0.511 112 R N 0.831 121.427 120.500 0.159 0.000 2.096 112 R HA -0.153 4.185 4.340 -0.003 0.000 0.235 112 R C 2.341 178.667 176.300 0.043 0.000 1.127 112 R CA 1.239 57.388 56.100 0.082 0.000 0.968 112 R CB -0.429 29.882 30.300 0.018 0.000 0.861 112 R HN 0.262 nan 8.270 nan 0.000 0.440 113 A N 0.962 123.789 122.820 0.011 0.000 1.908 113 A HA -0.182 4.136 4.320 -0.003 0.000 0.218 113 A C 2.007 179.594 177.584 0.006 0.000 1.181 113 A CA 1.318 53.351 52.037 -0.007 0.000 0.627 113 A CB -0.539 18.439 19.000 -0.036 0.000 0.818 113 A HN 0.392 nan 8.150 nan 0.000 0.445 114 L N -0.557 120.677 121.223 0.018 0.000 2.109 114 L HA 0.072 4.410 4.340 -0.003 0.000 0.207 114 L C 2.600 179.500 176.870 0.051 0.000 1.086 114 L CA 1.980 56.839 54.840 0.031 0.000 0.760 114 L CB -0.708 41.379 42.059 0.045 0.000 0.910 114 L HN 0.315 nan 8.230 nan 0.000 0.437 115 A N -0.207 122.656 122.820 0.073 0.000 1.902 115 A HA -0.266 4.052 4.320 -0.003 0.000 0.217 115 A C 2.186 179.800 177.584 0.050 0.000 1.181 115 A CA 1.764 53.844 52.037 0.071 0.000 0.623 115 A CB -1.043 18.008 19.000 0.086 0.000 0.818 115 A HN 0.603 nan 8.150 nan 0.000 0.443 116 N N -0.192 118.533 118.700 0.040 0.000 2.272 116 N HA -0.228 4.511 4.740 -0.003 0.000 0.185 116 N C 1.821 177.347 175.510 0.027 0.000 1.014 116 N CA 1.736 54.805 53.050 0.033 0.000 0.870 116 N CB -0.345 38.156 38.487 0.024 0.000 0.975 116 N HN 0.682 nan 8.380 nan 0.000 0.433 117 Q N -0.257 119.556 119.800 0.023 0.000 2.167 117 Q HA -0.081 4.257 4.340 -0.003 0.000 0.202 117 Q C 1.430 177.440 176.000 0.016 0.000 0.970 117 Q CA 1.562 57.374 55.803 0.014 0.000 0.855 117 Q CB 0.156 28.900 28.738 0.010 0.000 0.911 117 Q HN 0.417 nan 8.270 nan 0.000 0.438 118 V N -2.461 117.468 119.914 0.026 0.000 3.660 118 V HA 0.137 4.255 4.120 -0.003 0.000 0.276 118 V C 1.330 177.444 176.094 0.034 0.000 1.317 118 V CA 0.510 62.825 62.300 0.024 0.000 1.097 118 V CB 0.742 32.582 31.823 0.028 0.000 0.863 118 V HN 0.313 nan 8.190 nan 0.000 0.438 119 V N -2.785 117.154 119.914 0.042 0.000 3.382 119 V HA 0.686 4.805 4.120 -0.003 0.000 0.296 119 V C 1.106 177.229 176.094 0.049 0.000 1.529 119 V CA 0.362 62.691 62.300 0.049 0.000 1.048 119 V CB -0.505 31.353 31.823 0.057 0.000 0.878 119 V HN 0.426 nan 8.190 nan 0.000 0.442 120 G N -0.052 108.777 108.800 0.048 0.000 2.683 120 G HA2 0.291 4.250 3.960 -0.003 0.000 0.260 120 G HA3 0.291 4.250 3.960 -0.003 0.000 0.260 120 G C 0.553 175.484 174.900 0.053 0.000 1.238 120 G CA 0.278 45.420 45.100 0.070 0.000 0.934 120 G HN 0.186 nan 8.290 nan 0.000 0.534 121 M N 0.674 120.286 119.600 0.020 0.000 2.082 121 M HA -0.048 4.430 4.480 -0.003 0.000 0.258 121 M C -0.173 176.104 176.300 -0.040 0.000 1.069 121 M CA 1.899 57.158 55.300 -0.067 0.000 1.102 121 M CB -1.108 31.343 32.600 -0.248 0.000 1.336 121 M HN 0.322 nan 8.290 nan 0.000 0.404 122 P HA -0.144 nan 4.420 nan 0.000 0.217 122 P C 1.630 178.923 177.300 -0.012 0.000 1.148 122 P CA 1.350 64.435 63.100 -0.025 0.000 0.828 122 P CB -0.159 31.528 31.700 -0.022 0.000 0.783 123 V N -0.990 118.922 119.914 -0.003 0.000 2.453 123 V HA -0.155 3.963 4.120 -0.003 0.000 0.247 123 V C 2.407 178.503 176.094 0.004 0.000 1.048 123 V CA 1.419 63.720 62.300 0.001 0.000 1.049 123 V CB -1.083 30.745 31.823 0.008 0.000 0.672 123 V HN -0.026 nan 8.190 nan 0.000 0.457 124 V N 0.370 120.290 119.914 0.011 0.000 2.295 124 V HA -0.274 3.845 4.120 -0.003 0.000 0.246 124 V C 2.332 178.433 176.094 0.012 0.000 1.049 124 V CA 2.216 64.527 62.300 0.017 0.000 1.024 124 V CB -0.752 31.089 31.823 0.030 0.000 0.648 124 V HN 0.529 nan 8.190 nan 0.000 0.447 125 D N 0.249 120.651 120.400 0.002 0.000 2.133 125 D HA -0.181 4.457 4.640 -0.003 0.000 0.195 125 D C 2.208 178.511 176.300 0.005 0.000 0.997 125 D CA 1.352 55.353 54.000 0.002 0.000 0.840 125 D CB -0.259 40.536 40.800 -0.008 0.000 0.947 125 D HN 0.452 nan 8.370 nan 0.000 0.452 126 K N -0.136 120.264 120.400 0.001 0.000 2.288 126 K HA 0.040 4.358 4.320 -0.003 0.000 0.201 126 K C 1.870 178.472 176.600 0.003 0.000 1.048 126 K CA 0.372 56.658 56.287 -0.000 0.000 0.956 126 K CB 0.194 32.691 32.500 -0.006 0.000 0.746 126 K HN 0.189 nan 8.250 nan 0.000 0.461 127 L N 0.016 121.243 121.223 0.006 0.000 2.554 127 L HA 0.023 4.361 4.340 -0.003 0.000 0.225 127 L C 2.053 178.938 176.870 0.026 0.000 1.104 127 L CA -0.018 54.827 54.840 0.008 0.000 0.866 127 L CB 0.064 42.122 42.059 -0.001 0.000 1.047 127 L HN 0.060 nan 8.230 nan 0.000 0.468 128 E N 1.710 121.928 120.200 0.031 0.000 2.068 128 E HA -0.309 4.040 4.350 -0.003 0.000 0.207 128 E C 1.602 178.236 176.600 0.057 0.000 1.032 128 E CA 2.355 58.783 56.400 0.047 0.000 0.839 128 E CB -0.213 29.509 29.700 0.038 0.000 0.758 128 E HN 0.472 nan 8.360 nan 0.000 0.457 129 N N -0.894 117.832 118.700 0.043 0.000 2.120 129 N HA -0.172 4.566 4.740 -0.003 0.000 0.188 129 N C 2.039 177.583 175.510 0.057 0.000 1.024 129 N CA 1.039 54.116 53.050 0.046 0.000 0.852 129 N CB -0.156 38.349 38.487 0.031 0.000 1.003 129 N HN 0.015 nan 8.380 nan 0.000 0.424 130 R N 1.003 121.533 120.500 0.049 0.000 2.081 130 R HA 0.010 4.348 4.340 -0.003 0.000 0.235 130 R C 2.068 178.424 176.300 0.094 0.000 1.131 130 R CA 0.987 57.119 56.100 0.054 0.000 0.960 130 R CB -0.227 30.090 30.300 0.027 0.000 0.856 130 R HN 0.249 nan 8.270 nan 0.000 0.436 131 I N -0.110 120.523 120.570 0.105 0.000 2.179 131 I HA -0.304 3.865 4.170 -0.003 0.000 0.242 131 I C 2.407 178.702 176.117 0.296 0.000 1.088 131 I CA 1.294 62.711 61.300 0.195 0.000 1.357 131 I CB -0.326 37.764 38.000 0.150 0.000 1.051 131 I HN 0.226 nan 8.210 nan 0.000 0.409 132 Q N 1.382 121.293 119.800 0.185 0.000 2.030 132 Q HA -0.283 4.055 4.340 -0.003 0.000 0.204 132 Q C 2.046 178.119 176.000 0.122 0.000 0.986 132 Q CA 2.129 58.020 55.803 0.146 0.000 0.843 132 Q CB -0.318 28.477 28.738 0.096 0.000 0.904 132 Q HN 0.480 nan 8.270 nan 0.000 0.420 133 E N -0.859 119.404 120.200 0.105 0.000 2.085 133 E HA -0.214 4.135 4.350 -0.003 0.000 0.194 133 E C 1.885 178.544 176.600 0.098 0.000 0.994 133 E CA 1.293 57.742 56.400 0.082 0.000 0.801 133 E CB -0.228 29.511 29.700 0.064 0.000 0.743 133 E HN 0.390 nan 8.360 nan 0.000 0.453 134 L N 0.835 122.148 121.223 0.151 0.000 2.056 134 L HA -0.076 4.262 4.340 -0.003 0.000 0.207 134 L C 2.290 179.251 176.870 0.151 0.000 1.078 134 L CA 2.138 57.084 54.840 0.176 0.000 0.749 134 L CB -0.767 41.444 42.059 0.252 0.000 0.901 134 L HN 0.181 nan 8.230 nan 0.000 0.433 135 A N -1.190 121.702 122.820 0.119 0.000 1.865 135 A HA -0.267 4.051 4.320 -0.003 0.000 0.217 135 A C 2.403 180.000 177.584 0.021 0.000 1.191 135 A CA 2.023 53.981 52.037 -0.132 0.000 0.623 135 A CB -1.531 17.299 19.000 -0.283 0.000 0.826 135 A HN 0.624 nan 8.150 nan 0.000 0.444 136 C N -1.261 118.052 119.300 0.022 0.000 2.429 136 C HA -0.058 4.401 4.460 -0.003 0.000 0.277 136 C C 3.312 178.305 174.990 0.006 0.000 1.262 136 C CA 1.362 60.380 59.018 0.001 0.000 1.733 136 C CB -1.192 26.552 27.740 0.006 0.000 2.010 136 C HN 0.693 nan 8.230 nan 0.000 0.483 137 S N 0.227 115.947 115.700 0.033 0.000 2.356 137 S HA -0.084 4.384 4.470 -0.003 0.000 0.223 137 S C 1.772 176.398 174.600 0.044 0.000 1.032 137 S CA 1.336 59.556 58.200 0.034 0.000 1.005 137 S CB -0.279 62.949 63.200 0.045 0.000 0.867 137 S HN 0.595 nan 8.310 nan 0.000 0.449 138 L N 0.850 122.120 121.223 0.079 0.000 2.017 138 L HA -0.076 4.262 4.340 -0.003 0.000 0.208 138 L C 2.386 179.324 176.870 0.114 0.000 1.073 138 L CA 1.380 56.294 54.840 0.124 0.000 0.745 138 L CB -0.510 41.659 42.059 0.182 0.000 0.894 138 L HN 0.374 nan 8.230 nan 0.000 0.432 139 I N -0.449 120.157 120.570 0.060 0.000 2.252 139 I HA -0.252 3.916 4.170 -0.003 0.000 0.245 139 I C 2.586 178.588 176.117 -0.191 0.000 1.102 139 I CA 1.026 62.228 61.300 -0.163 0.000 1.385 139 I CB -0.265 37.558 38.000 -0.296 0.000 1.064 139 I HN 0.265 nan 8.210 nan 0.000 0.414 140 E N 0.988 121.124 120.200 -0.107 0.000 2.110 140 E HA -0.231 4.117 4.350 -0.003 0.000 0.193 140 E C 2.211 178.790 176.600 -0.036 0.000 0.988 140 E CA 1.793 58.143 56.400 -0.084 0.000 0.804 140 E CB -0.255 29.416 29.700 -0.048 0.000 0.745 140 E HN 0.249 nan 8.360 nan 0.000 0.458 141 S N -0.973 114.725 115.700 -0.002 0.000 2.382 141 S HA -0.045 4.423 4.470 -0.003 0.000 0.228 141 S C 1.808 176.440 174.600 0.054 0.000 1.027 141 S CA 1.121 59.338 58.200 0.028 0.000 0.991 141 S CB -0.207 63.019 63.200 0.043 0.000 0.823 141 S HN 0.372 nan 8.310 nan 0.000 0.469 142 L N 0.664 121.925 121.223 0.063 0.000 2.162 142 L HA 0.122 4.460 4.340 -0.003 0.000 0.205 142 L C 2.712 179.740 176.870 0.264 0.000 1.086 142 L CA 0.780 55.719 54.840 0.164 0.000 0.778 142 L CB -0.573 41.609 42.059 0.204 0.000 0.928 142 L HN 0.282 nan 8.230 nan 0.000 0.446 143 R N 1.043 121.582 120.500 0.065 0.000 2.159 143 R HA -0.217 4.121 4.340 -0.003 0.000 0.249 143 R C -0.549 175.943 176.300 0.319 0.000 1.136 143 R CA 2.547 58.698 56.100 0.085 0.000 0.951 143 R CB -1.342 28.890 30.300 -0.114 0.000 0.876 143 R HN 0.254 nan 8.270 nan 0.000 0.440 144 P HA -0.104 nan 4.420 nan 0.000 0.226 144 P C 0.384 177.723 177.300 0.065 0.000 1.153 144 P CA 1.252 64.418 63.100 0.110 0.000 0.777 144 P CB -0.028 31.704 31.700 0.052 0.000 0.794 145 Q N -0.496 119.342 119.800 0.063 0.000 2.230 145 Q HA 0.064 4.402 4.340 -0.003 0.000 0.202 145 Q C 1.632 177.449 176.000 -0.306 0.000 0.963 145 Q CA 1.000 56.758 55.803 -0.074 0.000 0.866 145 Q CB -0.530 28.182 28.738 -0.043 0.000 0.931 145 Q HN 0.281 nan 8.270 nan 0.000 0.452 146 G N 1.616 110.068 108.800 -0.580 0.000 2.148 146 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.254 146 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.254 146 G C -0.051 173.825 174.900 -1.707 0.000 0.981 146 G CA 0.757 45.064 45.100 -1.321 0.000 0.670 146 G HN 0.476 nan 8.290 nan 0.000 0.528 147 Q N -1.933 116.900 119.800 -1.612 0.000 2.776 147 Q HA 0.592 4.930 4.340 -0.003 0.000 0.289 147 Q C -0.429 175.364 176.000 -0.344 0.000 0.912 147 Q CA -0.711 54.522 55.803 -0.949 0.000 0.789 147 Q CB 1.381 29.866 28.738 -0.422 0.000 1.498 147 Q HN 1.603 nan 8.270 nan 0.000 0.408 148 C N -0.895 118.423 119.300 0.029 0.000 3.253 148 C HA 0.627 5.086 4.460 -0.003 0.000 0.342 148 C C -1.728 173.394 174.990 0.220 0.000 1.306 148 C CA -0.794 58.355 59.018 0.219 0.000 1.207 148 C CB 0.818 28.844 27.740 0.476 0.000 1.479 148 C HN 1.032 nan 8.230 nan 0.000 0.469 149 N N 0.799 119.611 118.700 0.186 0.000 2.699 149 N HA 0.389 5.128 4.740 -0.003 0.000 0.232 149 N C 0.229 175.855 175.510 0.194 0.000 1.027 149 N CA -0.529 52.615 53.050 0.158 0.000 0.920 149 N CB 0.644 39.187 38.487 0.094 0.000 1.148 149 N HN 0.614 nan 8.380 nan 0.000 0.509 150 F N 2.095 122.102 119.950 0.094 0.000 2.115 150 F HA -0.312 4.213 4.527 -0.003 0.000 0.300 150 F C 2.614 178.452 175.800 0.063 0.000 1.092 150 F CA 1.976 60.016 58.000 0.067 0.000 1.245 150 F CB -0.284 38.678 39.000 -0.062 0.000 0.995 150 F HN 0.430 nan 8.300 nan 0.000 0.481 151 T N -1.412 113.187 114.554 0.075 0.000 2.708 151 T HA -0.275 4.073 4.350 -0.003 0.000 0.266 151 T C 1.667 176.321 174.700 -0.077 0.000 1.037 151 T CA 1.603 63.687 62.100 -0.026 0.000 1.146 151 T CB -0.851 68.027 68.868 0.016 0.000 0.865 151 T HN 0.672 nan 8.240 nan 0.000 0.435 152 E N 0.686 120.870 120.200 -0.026 0.000 2.318 152 E HA -0.005 4.343 4.350 -0.003 0.000 0.193 152 E C 1.170 177.757 176.600 -0.022 0.000 0.998 152 E CA 0.640 57.027 56.400 -0.021 0.000 0.859 152 E CB -0.051 29.655 29.700 0.009 0.000 0.812 152 E HN 0.399 nan 8.360 nan 0.000 0.492 153 D N -0.697 119.698 120.400 -0.009 0.000 2.346 153 D HA 0.014 4.652 4.640 -0.003 0.000 0.206 153 D C 0.568 176.893 176.300 0.041 0.000 1.001 153 D CA 0.686 54.711 54.000 0.042 0.000 0.871 153 D CB 0.305 41.182 40.800 0.129 0.000 0.943 153 D HN 0.292 nan 8.370 nan 0.000 0.518 154 Y N -0.262 119.858 120.300 -0.302 0.000 3.032 154 Y HA 0.303 4.852 4.550 -0.003 0.000 0.232 154 Y C 1.962 177.625 175.900 -0.395 0.000 1.099 154 Y CA 0.582 58.464 58.100 -0.364 0.000 1.328 154 Y CB -0.205 37.937 38.460 -0.531 0.000 1.432 154 Y HN -0.152 nan 8.280 nan 0.000 0.433 155 A N 0.985 123.468 122.820 -0.561 0.000 1.958 155 A HA -0.234 4.084 4.320 -0.003 0.000 0.221 155 A C 1.775 179.278 177.584 -0.135 0.000 1.178 155 A CA 2.519 54.399 52.037 -0.262 0.000 0.642 155 A CB -0.591 18.292 19.000 -0.194 0.000 0.816 155 A HN 0.707 nan 8.150 nan 0.000 0.453 156 E N -0.959 119.154 120.200 -0.144 0.000 2.030 156 E HA -0.065 4.283 4.350 -0.003 0.000 0.189 156 E C -0.529 176.017 176.600 -0.090 0.000 0.974 156 E CA 0.594 56.941 56.400 -0.089 0.000 0.807 156 E CB -0.598 29.065 29.700 -0.062 0.000 0.771 156 E HN 0.494 nan 8.360 nan 0.000 0.451 157 P HA -0.210 nan 4.420 nan 0.000 0.216 157 P C 1.397 178.654 177.300 -0.072 0.000 1.150 157 P CA 1.204 64.261 63.100 -0.071 0.000 0.837 157 P CB -0.064 31.603 31.700 -0.054 0.000 0.786 158 F N 2.594 122.322 119.950 -0.370 0.000 2.031 158 F HA -0.051 4.474 4.527 -0.003 0.000 0.295 158 F C -0.842 174.853 175.800 -0.175 0.000 1.133 158 F CA 1.518 59.287 58.000 -0.384 0.000 1.188 158 F CB -2.034 36.478 39.000 -0.813 0.000 0.974 158 F HN -0.026 nan 8.300 nan 0.000 0.473 159 P HA -0.112 nan 4.420 nan 0.000 0.216 159 P C 2.139 179.341 177.300 -0.163 0.000 1.153 159 P CA 1.957 64.840 63.100 -0.361 0.000 0.848 159 P CB -0.088 31.513 31.700 -0.165 0.000 0.787 160 I N -0.830 119.688 120.570 -0.087 0.000 2.252 160 I HA -0.208 3.961 4.170 -0.003 0.000 0.245 160 I C 2.496 178.639 176.117 0.042 0.000 1.102 160 I CA 1.400 62.706 61.300 0.010 0.000 1.385 160 I CB -0.436 37.562 38.000 -0.003 0.000 1.064 160 I HN -0.142 nan 8.210 nan 0.000 0.414 161 R N 0.644 121.133 120.500 -0.019 0.000 2.092 161 R HA -0.084 4.254 4.340 -0.003 0.000 0.231 161 R C 2.314 178.595 176.300 -0.033 0.000 1.119 161 R CA 1.244 57.336 56.100 -0.013 0.000 0.970 161 R CB -0.279 30.014 30.300 -0.011 0.000 0.864 161 R HN 0.361 nan 8.270 nan 0.000 0.440 162 I N -0.021 120.502 120.570 -0.079 0.000 2.226 162 I HA -0.283 3.885 4.170 -0.003 0.000 0.245 162 I C 2.185 178.277 176.117 -0.043 0.000 1.100 162 I CA 1.176 62.420 61.300 -0.092 0.000 1.374 162 I CB -0.248 37.632 38.000 -0.200 0.000 1.057 162 I HN 0.085 nan 8.210 nan 0.000 0.413 163 F N 1.432 121.314 119.950 -0.113 0.000 2.134 163 F HA -0.236 4.290 4.527 -0.002 0.000 0.299 163 F C 2.475 178.247 175.800 -0.046 0.000 1.097 163 F CA 1.610 59.564 58.000 -0.077 0.000 1.264 163 F CB -0.171 38.783 39.000 -0.076 0.000 1.001 163 F HN -0.075 nan 8.300 nan 0.000 0.479 164 M N -0.228 119.284 119.600 -0.147 0.000 2.279 164 M HA -0.124 4.355 4.480 -0.003 0.000 0.264 164 M C 2.214 178.387 176.300 -0.213 0.000 1.062 164 M CA 1.075 56.254 55.300 -0.202 0.000 1.099 164 M CB -1.464 31.127 32.600 -0.014 0.000 1.394 164 M HN 0.384 nan 8.290 nan 0.000 0.426 165 L N 1.511 122.639 121.223 -0.158 0.000 2.005 165 L HA -0.153 4.185 4.340 -0.003 0.000 0.207 165 L C 2.217 178.990 176.870 -0.161 0.000 1.072 165 L CA 1.643 56.411 54.840 -0.120 0.000 0.744 165 L CB -1.010 41.002 42.059 -0.077 0.000 0.895 165 L HN 0.343 nan 8.230 nan 0.000 0.433 166 L N -0.926 120.169 121.223 -0.212 0.000 2.141 166 L HA 0.141 4.479 4.340 -0.003 0.000 0.209 166 L C 2.235 178.943 176.870 -0.270 0.000 1.094 166 L CA 1.902 56.619 54.840 -0.204 0.000 0.763 166 L CB -1.797 40.161 42.059 -0.168 0.000 0.908 166 L HN 0.147 nan 8.230 nan 0.000 0.437 167 A N -0.112 122.433 122.820 -0.457 0.000 2.218 167 A HA 0.436 4.755 4.320 -0.003 0.000 0.209 167 A C 1.804 179.263 177.584 -0.209 0.000 1.168 167 A CA 0.440 52.231 52.037 -0.409 0.000 0.804 167 A CB -1.116 17.447 19.000 -0.728 0.000 0.834 167 A HN 0.959 nan 8.150 nan 0.000 0.482 168 G N -0.580 108.117 108.800 -0.171 0.000 2.273 168 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.280 168 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.280 168 G C -0.128 174.737 174.900 -0.058 0.000 1.047 168 G CA 0.620 45.663 45.100 -0.094 0.000 0.869 168 G HN 0.491 nan 8.290 nan 0.000 0.502 169 L N 0.670 121.860 121.223 -0.056 0.000 2.334 169 L HA 0.537 4.875 4.340 -0.003 0.000 0.276 169 L C -1.618 175.272 176.870 0.033 0.000 1.014 169 L CA -2.509 52.347 54.840 0.027 0.000 0.815 169 L CB 2.063 44.177 42.059 0.092 0.000 1.268 169 L HN -0.041 nan 8.230 nan 0.000 0.428 170 P HA 0.055 nan 4.420 nan 0.000 0.271 170 P C -0.109 177.224 177.300 0.054 0.000 1.216 170 P CA -0.096 63.034 63.100 0.050 0.000 0.771 170 P CB 0.992 32.727 31.700 0.058 0.000 0.864 171 E N 1.439 121.660 120.200 0.035 0.000 2.265 171 E HA -0.200 4.148 4.350 -0.003 0.000 0.196 171 E C 1.612 178.234 176.600 0.037 0.000 0.996 171 E CA 1.002 57.421 56.400 0.033 0.000 0.832 171 E CB 0.078 29.791 29.700 0.021 0.000 0.756 171 E HN 0.667 nan 8.360 nan 0.000 0.491 172 E N 0.624 120.848 120.200 0.041 0.000 2.418 172 E HA -0.169 4.180 4.350 -0.003 0.000 0.197 172 E C 0.677 177.308 176.600 0.052 0.000 1.026 172 E CA 0.855 57.278 56.400 0.039 0.000 0.862 172 E CB 0.109 29.830 29.700 0.034 0.000 0.799 172 E HN 0.105 nan 8.360 nan 0.000 0.518 173 D N 0.647 121.088 120.400 0.069 0.000 2.349 173 D HA 0.024 4.662 4.640 -0.003 0.000 0.215 173 D C 1.640 177.961 176.300 0.035 0.000 1.016 173 D CA 0.061 54.105 54.000 0.074 0.000 0.870 173 D CB 0.155 41.031 40.800 0.127 0.000 0.917 173 D HN 0.196 nan 8.370 nan 0.000 0.524 174 I N 1.447 122.039 120.570 0.036 0.000 2.127 174 I HA -0.190 3.978 4.170 -0.003 0.000 0.241 174 I C -0.535 175.595 176.117 0.021 0.000 1.075 174 I CA 1.312 62.625 61.300 0.022 0.000 1.334 174 I CB -2.300 35.714 38.000 0.025 0.000 1.040 174 I HN -0.005 nan 8.210 nan 0.000 0.405 175 P HA -0.209 nan 4.420 nan 0.000 0.216 175 P C 1.813 179.167 177.300 0.091 0.000 1.157 175 P CA 1.795 64.928 63.100 0.055 0.000 0.880 175 P CB -0.115 31.614 31.700 0.047 0.000 0.791 176 H N -0.603 118.461 119.070 -0.010 0.000 2.299 176 H HA -0.045 4.509 4.556 -0.003 0.000 0.302 176 H C 1.821 177.138 175.328 -0.018 0.000 1.078 176 H CA 1.506 57.551 56.048 -0.005 0.000 1.323 176 H CB -1.031 28.705 29.762 -0.043 0.000 1.381 176 H HN -0.048 nan 8.280 nan 0.000 0.498 177 L N -0.093 121.020 121.223 -0.183 0.000 2.083 177 L HA -0.143 4.195 4.340 -0.003 0.000 0.209 177 L C 2.529 179.284 176.870 -0.192 0.000 1.083 177 L CA 1.595 56.263 54.840 -0.287 0.000 0.752 177 L CB -0.435 41.474 42.059 -0.251 0.000 0.899 177 L HN 0.221 nan 8.230 nan 0.000 0.433 178 K N 0.037 120.380 120.400 -0.095 0.000 2.057 178 K HA -0.251 4.067 4.320 -0.003 0.000 0.207 178 K C 2.131 178.693 176.600 -0.064 0.000 1.049 178 K CA 1.564 57.811 56.287 -0.067 0.000 0.931 178 K CB -0.620 31.869 32.500 -0.019 0.000 0.714 178 K HN 0.206 nan 8.250 nan 0.000 0.440 179 Y N 0.829 121.052 120.300 -0.128 0.000 2.145 179 Y HA -0.139 4.409 4.550 -0.003 0.000 0.286 179 Y C 1.634 177.445 175.900 -0.148 0.000 1.145 179 Y CA 1.847 59.879 58.100 -0.112 0.000 1.148 179 Y CB -0.225 38.180 38.460 -0.093 0.000 0.981 179 Y HN 0.020 nan 8.280 nan 0.000 0.507 180 L N -0.434 120.610 121.223 -0.299 0.000 2.017 180 L HA -0.244 4.094 4.340 -0.003 0.000 0.208 180 L C 2.608 179.286 176.870 -0.320 0.000 1.073 180 L CA 2.101 56.724 54.840 -0.362 0.000 0.745 180 L CB -1.320 40.530 42.059 -0.348 0.000 0.894 180 L HN 0.386 nan 8.230 nan 0.000 0.432 181 T N -3.818 110.590 114.554 -0.244 0.000 2.788 181 T HA -0.190 4.158 4.350 -0.003 0.000 0.268 181 T C 1.447 176.070 174.700 -0.128 0.000 1.044 181 T CA 1.437 63.437 62.100 -0.166 0.000 1.139 181 T CB -0.422 68.358 68.868 -0.147 0.000 0.867 181 T HN 0.189 nan 8.240 nan 0.000 0.454 182 D N 1.145 121.439 120.400 -0.177 0.000 2.218 182 D HA -0.051 4.587 4.640 -0.003 0.000 0.204 182 D C 2.359 178.562 176.300 -0.161 0.000 0.976 182 D CA 0.718 54.634 54.000 -0.141 0.000 0.853 182 D CB -0.252 40.456 40.800 -0.153 0.000 0.939 182 D HN 0.363 nan 8.370 nan 0.000 0.481 183 Q N -0.555 119.068 119.800 -0.295 0.000 2.369 183 Q HA 0.079 4.417 4.340 -0.003 0.000 0.206 183 Q C 1.964 177.921 176.000 -0.071 0.000 0.963 183 Q CA 0.483 56.138 55.803 -0.247 0.000 0.894 183 Q CB -0.131 28.385 28.738 -0.371 0.000 0.965 183 Q HN 0.451 nan 8.270 nan 0.000 0.475 184 M N -0.440 119.149 119.600 -0.018 0.000 2.514 184 M HA -0.021 4.457 4.480 -0.003 0.000 0.258 184 M C 1.583 178.155 176.300 0.452 0.000 1.119 184 M CA 1.400 56.844 55.300 0.240 0.000 1.111 184 M CB 0.161 32.849 32.600 0.148 0.000 1.390 184 M HN 0.194 nan 8.290 nan 0.000 0.475 185 T N -2.519 112.181 114.554 0.243 0.000 3.026 185 T HA 0.222 4.570 4.350 -0.003 0.000 0.245 185 T C 1.057 175.894 174.700 0.227 0.000 1.004 185 T CA -0.223 62.003 62.100 0.210 0.000 1.069 185 T CB 0.251 69.203 68.868 0.140 0.000 1.005 185 T HN 0.243 nan 8.240 nan 0.000 0.472 186 R N 2.255 122.846 120.500 0.152 0.000 2.638 186 R HA 0.314 4.652 4.340 -0.003 0.000 0.261 186 R C -2.979 173.344 176.300 0.039 0.000 1.515 186 R CA -1.567 54.629 56.100 0.158 0.000 1.623 186 R CB 1.207 31.582 30.300 0.126 0.000 1.347 186 R HN 0.353 nan 8.270 nan 0.000 0.705 187 P HA -0.062 nan 4.420 nan 0.000 0.264 187 P C -0.315 176.946 177.300 -0.064 0.000 1.183 187 P CA 0.365 63.414 63.100 -0.085 0.000 0.763 187 P CB 0.834 32.462 31.700 -0.121 0.000 0.807 188 D N 1.484 121.862 120.400 -0.038 0.000 2.350 188 D HA 0.109 4.747 4.640 -0.003 0.000 0.213 188 D C 1.430 177.732 176.300 0.004 0.000 1.031 188 D CA 0.522 54.526 54.000 0.007 0.000 0.861 188 D CB -0.301 40.534 40.800 0.059 0.000 0.926 188 D HN 0.608 nan 8.370 nan 0.000 0.520 189 G N -0.017 108.774 108.800 -0.015 0.000 2.213 189 G HA2 -0.340 3.619 3.960 -0.003 0.000 0.226 189 G HA3 -0.340 3.619 3.960 -0.003 0.000 0.226 189 G C 1.271 176.180 174.900 0.015 0.000 0.992 189 G CA 0.592 45.686 45.100 -0.011 0.000 0.632 189 G HN 0.618 nan 8.290 nan 0.000 0.511 190 S N -0.607 115.122 115.700 0.047 0.000 2.436 190 S HA 0.481 4.949 4.470 -0.003 0.000 0.228 190 S C 0.983 175.621 174.600 0.062 0.000 1.014 190 S CA 1.099 59.342 58.200 0.071 0.000 0.950 190 S CB 0.083 63.364 63.200 0.135 0.000 0.784 190 S HN 0.523 nan 8.310 nan 0.000 0.504 191 M N 2.150 121.772 119.600 0.037 0.000 2.386 191 M HA 0.344 4.823 4.480 -0.003 0.000 0.293 191 M C -0.444 175.852 176.300 -0.007 0.000 1.120 191 M CA -0.589 54.720 55.300 0.014 0.000 0.909 191 M CB 2.594 35.194 32.600 -0.001 0.000 1.661 191 M HN 0.235 nan 8.290 nan 0.000 0.452 192 T N -1.345 113.214 114.554 0.008 0.000 2.788 192 T HA 0.263 4.611 4.350 -0.003 0.000 0.287 192 T C 0.752 175.482 174.700 0.051 0.000 1.007 192 T CA -0.436 61.688 62.100 0.039 0.000 1.005 192 T CB 0.836 69.736 68.868 0.053 0.000 1.012 192 T HN 0.587 nan 8.240 nan 0.000 0.530 193 F N 1.341 121.280 119.950 -0.018 0.000 2.134 193 F HA 0.029 4.554 4.527 -0.003 0.000 0.299 193 F C 2.606 178.369 175.800 -0.061 0.000 1.097 193 F CA 1.827 59.819 58.000 -0.014 0.000 1.264 193 F CB -0.907 38.117 39.000 0.039 0.000 1.001 193 F HN 0.740 nan 8.300 nan 0.000 0.479 194 A N 0.153 123.081 122.820 0.180 0.000 1.908 194 A HA -0.242 4.077 4.320 -0.003 0.000 0.218 194 A C 2.084 179.631 177.584 -0.062 0.000 1.181 194 A CA 2.056 54.132 52.037 0.065 0.000 0.627 194 A CB -0.918 18.134 19.000 0.088 0.000 0.818 194 A HN 0.590 nan 8.150 nan 0.000 0.445 195 E N -0.357 119.815 120.200 -0.046 0.000 2.072 195 E HA -0.074 4.274 4.350 -0.003 0.000 0.191 195 E C 2.310 178.843 176.600 -0.111 0.000 0.985 195 E CA 0.893 57.264 56.400 -0.049 0.000 0.801 195 E CB -0.288 29.404 29.700 -0.012 0.000 0.750 195 E HN 0.628 nan 8.360 nan 0.000 0.452 196 A N 1.775 124.476 122.820 -0.198 0.000 1.930 196 A HA -0.218 4.100 4.320 -0.003 0.000 0.217 196 A C 2.072 179.439 177.584 -0.361 0.000 1.175 196 A CA 1.542 53.415 52.037 -0.274 0.000 0.627 196 A CB -0.347 18.437 19.000 -0.359 0.000 0.815 196 A HN 0.068 nan 8.150 nan 0.000 0.443 197 K N -0.451 119.644 120.400 -0.509 0.000 2.026 197 K HA -0.180 4.138 4.320 -0.003 0.000 0.208 197 K C 1.777 178.088 176.600 -0.482 0.000 1.048 197 K CA 1.563 57.477 56.287 -0.623 0.000 0.929 197 K CB -0.131 31.977 32.500 -0.652 0.000 0.713 197 K HN 0.335 nan 8.250 nan 0.000 0.439 198 E N 0.285 120.351 120.200 -0.222 0.000 2.153 198 E HA -0.153 4.195 4.350 -0.003 0.000 0.194 198 E C 1.859 178.469 176.600 0.017 0.000 0.988 198 E CA 1.116 57.495 56.400 -0.035 0.000 0.811 198 E CB -0.182 29.528 29.700 0.017 0.000 0.746 198 E HN 0.448 nan 8.360 nan 0.000 0.466 199 A N 0.926 123.731 122.820 -0.025 0.000 1.930 199 A HA -0.113 4.205 4.320 -0.003 0.000 0.217 199 A C 2.223 179.857 177.584 0.083 0.000 1.175 199 A CA 0.925 52.996 52.037 0.056 0.000 0.627 199 A CB -0.460 18.566 19.000 0.042 0.000 0.815 199 A HN 0.229 nan 8.150 nan 0.000 0.443 200 L N -1.563 119.634 121.223 -0.043 0.000 2.056 200 L HA -0.101 4.237 4.340 -0.003 0.000 0.207 200 L C 2.229 179.229 176.870 0.217 0.000 1.078 200 L CA 1.800 56.639 54.840 -0.001 0.000 0.749 200 L CB -0.705 41.260 42.059 -0.157 0.000 0.901 200 L HN 0.456 nan 8.230 nan 0.000 0.433 201 Y N -0.552 119.811 120.300 0.104 0.000 2.314 201 Y HA -0.165 4.384 4.550 -0.003 0.000 0.293 201 Y C 2.475 178.437 175.900 0.103 0.000 1.129 201 Y CA 0.979 59.139 58.100 0.100 0.000 1.201 201 Y CB -1.002 37.494 38.460 0.060 0.000 0.999 201 Y HN 0.376 nan 8.280 nan 0.000 0.541 202 D N -0.999 119.563 120.400 0.269 0.000 2.144 202 D HA -0.258 4.380 4.640 -0.003 0.000 0.199 202 D C 2.118 178.538 176.300 0.202 0.000 0.984 202 D CA 1.160 55.275 54.000 0.191 0.000 0.834 202 D CB -0.333 40.565 40.800 0.164 0.000 0.955 202 D HN 0.349 nan 8.370 nan 0.000 0.465 203 Y N 0.332 120.711 120.300 0.131 0.000 2.184 203 Y HA 0.007 4.556 4.550 -0.003 0.000 0.290 203 Y C 1.941 177.902 175.900 0.101 0.000 1.129 203 Y CA 1.342 59.513 58.100 0.118 0.000 1.144 203 Y CB -0.169 38.381 38.460 0.149 0.000 0.995 203 Y HN -0.006 nan 8.280 nan 0.000 0.513 204 L N -0.503 120.853 121.223 0.221 0.000 2.072 204 L HA -0.165 4.174 4.340 -0.003 0.000 0.205 204 L C 2.382 179.257 176.870 0.008 0.000 1.079 204 L CA 1.066 55.967 54.840 0.103 0.000 0.752 204 L CB -0.563 41.641 42.059 0.241 0.000 0.906 204 L HN 0.241 nan 8.230 nan 0.000 0.436 205 I N 0.523 121.112 120.570 0.033 0.000 2.113 205 I HA -0.288 3.880 4.170 -0.003 0.000 0.242 205 I C -0.194 175.901 176.117 -0.036 0.000 1.057 205 I CA 1.873 63.166 61.300 -0.012 0.000 1.314 205 I CB -1.672 36.328 38.000 -0.000 0.000 1.022 205 I HN 0.282 nan 8.210 nan 0.000 0.408 206 P HA -0.127 nan 4.420 nan 0.000 0.219 206 P C 1.859 179.109 177.300 -0.083 0.000 1.150 206 P CA 1.660 64.722 63.100 -0.063 0.000 0.814 206 P CB -0.069 31.590 31.700 -0.069 0.000 0.787 207 I N -0.579 119.918 120.570 -0.122 0.000 2.252 207 I HA -0.179 3.989 4.170 -0.003 0.000 0.245 207 I C 2.667 178.743 176.117 -0.068 0.000 1.102 207 I CA 1.114 62.341 61.300 -0.121 0.000 1.385 207 I CB -0.517 37.373 38.000 -0.183 0.000 1.064 207 I HN -0.177 nan 8.210 nan 0.000 0.414 208 I N 0.712 121.252 120.570 -0.050 0.000 2.179 208 I HA -0.284 3.885 4.170 -0.003 0.000 0.242 208 I C 2.647 178.746 176.117 -0.030 0.000 1.088 208 I CA 1.409 62.691 61.300 -0.030 0.000 1.357 208 I CB -0.286 37.700 38.000 -0.022 0.000 1.051 208 I HN 0.222 nan 8.210 nan 0.000 0.409 209 E N 1.087 121.267 120.200 -0.033 0.000 2.077 209 E HA -0.290 4.058 4.350 -0.003 0.000 0.193 209 E C 2.120 178.703 176.600 -0.028 0.000 0.989 209 E CA 1.506 57.889 56.400 -0.028 0.000 0.800 209 E CB -0.225 29.459 29.700 -0.027 0.000 0.746 209 E HN 0.408 nan 8.360 nan 0.000 0.452 210 Q N -0.150 119.629 119.800 -0.036 0.000 2.124 210 Q HA -0.141 4.197 4.340 -0.003 0.000 0.202 210 Q C 1.846 177.828 176.000 -0.031 0.000 0.977 210 Q CA 1.482 57.264 55.803 -0.036 0.000 0.850 210 Q CB 0.025 28.735 28.738 -0.047 0.000 0.901 210 Q HN 0.200 nan 8.270 nan 0.000 0.429 211 R N -0.836 119.645 120.500 -0.031 0.000 2.297 211 R HA 0.095 4.433 4.340 -0.003 0.000 0.197 211 R C 1.935 178.223 176.300 -0.019 0.000 0.943 211 R CA 0.177 56.261 56.100 -0.026 0.000 1.038 211 R CB 0.233 30.516 30.300 -0.027 0.000 0.957 211 R HN 0.137 nan 8.270 nan 0.000 0.484 212 R N -0.060 120.430 120.500 -0.018 0.000 2.173 212 R HA 0.036 4.374 4.340 -0.003 0.000 0.208 212 R C 1.906 178.197 176.300 -0.013 0.000 1.035 212 R CA 0.597 56.689 56.100 -0.013 0.000 1.004 212 R CB 0.267 30.560 30.300 -0.012 0.000 0.917 212 R HN 0.105 nan 8.270 nan 0.000 0.462 213 Q N 0.695 120.486 119.800 -0.016 0.000 2.062 213 Q HA 0.009 4.347 4.340 -0.003 0.000 0.196 213 Q C 0.139 176.130 176.000 -0.015 0.000 0.967 213 Q CA 1.284 57.078 55.803 -0.015 0.000 0.832 213 Q CB 0.387 29.116 28.738 -0.016 0.000 0.899 213 Q HN 0.159 nan 8.270 nan 0.000 0.442 214 K N 1.144 121.534 120.400 -0.017 0.000 2.624 214 K HA 0.383 4.701 4.320 -0.003 0.000 0.200 214 K C -2.626 173.963 176.600 -0.018 0.000 1.036 214 K CA -1.563 54.715 56.287 -0.016 0.000 1.029 214 K CB 1.591 34.080 32.500 -0.017 0.000 1.317 214 K HN -0.073 nan 8.250 nan 0.000 0.555 215 P HA -0.042 nan 4.420 nan 0.000 0.265 215 P C 0.130 177.419 177.300 -0.018 0.000 1.193 215 P CA 0.159 63.249 63.100 -0.016 0.000 0.765 215 P CB 0.941 32.633 31.700 -0.013 0.000 0.823 216 G N 0.625 109.413 108.800 -0.020 0.000 2.938 216 G HA2 0.469 4.427 3.960 -0.003 0.000 0.258 216 G HA3 0.469 4.427 3.960 -0.003 0.000 0.258 216 G C 0.406 175.292 174.900 -0.022 0.000 1.356 216 G CA -0.289 44.798 45.100 -0.022 0.000 1.052 216 G HN 0.415 nan 8.290 nan 0.000 0.550 217 T N -2.241 112.298 114.554 -0.025 0.000 3.054 217 T HA 0.190 4.538 4.350 -0.003 0.000 0.255 217 T C 0.410 175.090 174.700 -0.032 0.000 1.035 217 T CA 0.412 62.497 62.100 -0.025 0.000 0.941 217 T CB -0.446 68.408 68.868 -0.023 0.000 1.026 217 T HN 0.614 nan 8.240 nan 0.000 0.533 218 D N 1.061 121.437 120.400 -0.040 0.000 2.360 218 D HA 0.536 5.174 4.640 -0.003 0.000 0.242 218 D C 1.656 177.925 176.300 -0.052 0.000 1.184 218 D CA -0.228 53.738 54.000 -0.057 0.000 0.930 218 D CB 0.804 41.563 40.800 -0.067 0.000 1.161 218 D HN 0.020 nan 8.370 nan 0.000 0.447 219 A N 0.980 123.757 122.820 -0.071 0.000 1.940 219 A HA -0.163 4.155 4.320 -0.003 0.000 0.219 219 A C 2.128 179.698 177.584 -0.023 0.000 1.176 219 A CA 1.064 53.073 52.037 -0.046 0.000 0.631 219 A CB -0.806 18.155 19.000 -0.064 0.000 0.814 219 A HN 0.648 nan 8.150 nan 0.000 0.446 220 I N 0.087 120.637 120.570 -0.033 0.000 2.252 220 I HA -0.150 4.018 4.170 -0.003 0.000 0.245 220 I C 2.570 178.682 176.117 -0.007 0.000 1.102 220 I CA 1.641 62.937 61.300 -0.008 0.000 1.385 220 I CB -1.619 36.375 38.000 -0.010 0.000 1.064 220 I HN 0.219 nan 8.210 nan 0.000 0.414 221 S N 1.043 116.733 115.700 -0.018 0.000 2.356 221 S HA -0.095 4.373 4.470 -0.003 0.000 0.223 221 S C 2.113 176.708 174.600 -0.007 0.000 1.032 221 S CA 1.155 59.346 58.200 -0.015 0.000 1.005 221 S CB -0.264 62.923 63.200 -0.021 0.000 0.867 221 S HN 0.350 nan 8.310 nan 0.000 0.449 222 I N 1.018 121.583 120.570 -0.007 0.000 2.226 222 I HA -0.154 4.014 4.170 -0.003 0.000 0.245 222 I C 2.189 178.312 176.117 0.010 0.000 1.100 222 I CA 0.950 62.250 61.300 -0.001 0.000 1.374 222 I CB -0.523 37.476 38.000 -0.002 0.000 1.057 222 I HN 0.155 nan 8.210 nan 0.000 0.413 223 V N 1.064 120.989 119.914 0.018 0.000 2.307 223 V HA -0.271 3.847 4.120 -0.003 0.000 0.245 223 V C 2.756 178.869 176.094 0.032 0.000 1.045 223 V CA 1.987 64.308 62.300 0.035 0.000 1.024 223 V CB -0.980 30.870 31.823 0.045 0.000 0.651 223 V HN 0.492 nan 8.190 nan 0.000 0.449 224 A N 0.441 123.272 122.820 0.019 0.000 1.940 224 A HA -0.243 4.076 4.320 -0.003 0.000 0.219 224 A C 1.742 179.332 177.584 0.010 0.000 1.176 224 A CA 2.409 54.453 52.037 0.012 0.000 0.631 224 A CB -0.660 18.340 19.000 0.001 0.000 0.814 224 A HN 0.698 nan 8.150 nan 0.000 0.446 225 N N -0.709 117.995 118.700 0.006 0.000 2.238 225 N HA 0.330 5.068 4.740 -0.003 0.000 0.222 225 N C 0.642 176.155 175.510 0.004 0.000 1.133 225 N CA 0.390 53.441 53.050 0.003 0.000 0.854 225 N CB 0.642 39.127 38.487 -0.003 0.000 1.041 225 N HN 0.435 nan 8.380 nan 0.000 0.510 226 G N -0.127 108.680 108.800 0.012 0.000 2.616 226 G HA2 0.296 4.254 3.960 -0.003 0.000 0.268 226 G HA3 0.296 4.254 3.960 -0.003 0.000 0.268 226 G C -0.409 174.493 174.900 0.002 0.000 1.213 226 G CA -0.329 44.776 45.100 0.009 0.000 0.926 226 G HN 0.103 nan 8.290 nan 0.000 0.523 227 Q N -1.411 118.381 119.800 -0.013 0.000 2.377 227 Q HA 0.501 4.840 4.340 -0.003 0.000 0.271 227 Q C -1.221 174.740 176.000 -0.065 0.000 1.077 227 Q CA -0.784 55.000 55.803 -0.032 0.000 0.820 227 Q CB 2.971 31.688 28.738 -0.034 0.000 1.347 227 Q HN 0.253 nan 8.270 nan 0.000 0.444 228 V N 2.785 122.634 119.914 -0.108 0.000 2.304 228 V HA 0.182 4.301 4.120 -0.003 0.000 0.278 228 V C -0.032 175.941 176.094 -0.202 0.000 1.018 228 V CA -0.524 61.639 62.300 -0.229 0.000 0.814 228 V CB 0.504 32.090 31.823 -0.394 0.000 1.021 228 V HN 0.914 nan 8.190 nan 0.000 0.440 229 N N 4.277 122.875 118.700 -0.169 0.000 2.705 229 N HA -0.247 4.491 4.740 -0.003 0.000 0.255 229 N C 1.165 176.621 175.510 -0.090 0.000 1.008 229 N CA 0.491 53.465 53.050 -0.126 0.000 0.742 229 N CB -0.611 37.790 38.487 -0.144 0.000 0.906 229 N HN 1.299 nan 8.380 nan 0.000 0.541 230 G N -0.594 108.162 108.800 -0.072 0.000 2.199 230 G HA2 -0.351 3.607 3.960 -0.003 0.000 0.254 230 G HA3 -0.351 3.607 3.960 -0.003 0.000 0.254 230 G C 0.078 174.951 174.900 -0.045 0.000 0.982 230 G CA 0.860 45.929 45.100 -0.051 0.000 0.632 230 G HN 0.746 nan 8.290 nan 0.000 0.529 231 R N -0.504 119.963 120.500 -0.054 0.000 2.854 231 R HA 0.766 5.104 4.340 -0.003 0.000 0.271 231 R C -3.295 172.986 176.300 -0.032 0.000 0.994 231 R CA -2.558 53.519 56.100 -0.038 0.000 0.945 231 R CB 0.255 30.534 30.300 -0.035 0.000 1.194 231 R HN 0.056 nan 8.270 nan 0.000 0.476 232 P HA 0.033 nan 4.420 nan 0.000 0.268 232 P C -0.338 176.968 177.300 0.010 0.000 1.204 232 P CA -0.119 62.979 63.100 -0.004 0.000 0.768 232 P CB 0.465 32.165 31.700 -0.001 0.000 0.842 233 I N 2.728 123.313 120.570 0.024 0.000 2.696 233 I HA 0.111 4.279 4.170 -0.003 0.000 0.284 233 I C 0.719 176.870 176.117 0.057 0.000 1.129 233 I CA -0.035 61.306 61.300 0.067 0.000 1.410 233 I CB 0.866 38.920 38.000 0.090 0.000 1.399 233 I HN 0.388 nan 8.210 nan 0.000 0.579 234 T N 2.248 116.846 114.554 0.074 0.000 2.874 234 T HA 0.203 4.551 4.350 -0.003 0.000 0.281 234 T C 1.029 175.741 174.700 0.020 0.000 0.994 234 T CA -0.475 61.649 62.100 0.039 0.000 1.015 234 T CB 1.526 70.417 68.868 0.038 0.000 1.028 234 T HN 0.660 nan 8.240 nan 0.000 0.523 235 S N 0.835 116.534 115.700 -0.002 0.000 2.382 235 S HA -0.136 4.332 4.470 -0.003 0.000 0.228 235 S C 1.763 176.334 174.600 -0.048 0.000 1.027 235 S CA 1.742 59.930 58.200 -0.021 0.000 0.991 235 S CB -0.671 62.514 63.200 -0.026 0.000 0.823 235 S HN 1.011 nan 8.310 nan 0.000 0.469 236 D N 0.923 121.289 120.400 -0.056 0.000 2.149 236 D HA -0.113 4.526 4.640 -0.003 0.000 0.201 236 D C 1.672 177.911 176.300 -0.101 0.000 0.972 236 D CA 0.971 54.908 54.000 -0.105 0.000 0.835 236 D CB -0.299 40.447 40.800 -0.090 0.000 0.966 236 D HN 0.398 nan 8.370 nan 0.000 0.476 237 E N 0.244 120.420 120.200 -0.040 0.000 2.077 237 E HA -0.130 4.218 4.350 -0.003 0.000 0.193 237 E C 2.276 178.870 176.600 -0.011 0.000 0.989 237 E CA 1.044 57.426 56.400 -0.030 0.000 0.800 237 E CB -0.185 29.575 29.700 0.100 0.000 0.746 237 E HN 0.467 nan 8.360 nan 0.000 0.452 238 A N 1.706 124.533 122.820 0.012 0.000 1.902 238 A HA -0.243 4.075 4.320 -0.003 0.000 0.217 238 A C 2.062 179.644 177.584 -0.004 0.000 1.181 238 A CA 1.637 53.687 52.037 0.022 0.000 0.623 238 A CB -0.395 18.615 19.000 0.017 0.000 0.818 238 A HN 0.076 nan 8.150 nan 0.000 0.443 239 K N -0.306 120.055 120.400 -0.065 0.000 2.057 239 K HA -0.154 4.164 4.320 -0.003 0.000 0.207 239 K C 2.179 178.734 176.600 -0.074 0.000 1.049 239 K CA 1.467 57.680 56.287 -0.123 0.000 0.931 239 K CB -0.189 32.123 32.500 -0.313 0.000 0.714 239 K HN 0.440 nan 8.250 nan 0.000 0.440 240 R N 0.029 120.476 120.500 -0.087 0.000 2.148 240 R HA -0.054 4.284 4.340 -0.003 0.000 0.227 240 R C 2.345 178.745 176.300 0.167 0.000 1.103 240 R CA 1.446 57.613 56.100 0.112 0.000 0.983 240 R CB -0.149 30.156 30.300 0.008 0.000 0.874 240 R HN 0.338 nan 8.270 nan 0.000 0.451 241 M N -0.366 119.271 119.600 0.062 0.000 2.248 241 M HA -0.107 4.371 4.480 -0.003 0.000 0.265 241 M C 1.820 178.141 176.300 0.035 0.000 1.079 241 M CA 1.404 56.735 55.300 0.051 0.000 1.150 241 M CB 0.097 32.736 32.600 0.065 0.000 1.366 241 M HN 0.206 nan 8.290 nan 0.000 0.433 242 C N 0.738 120.074 119.300 0.061 0.000 2.419 242 C HA -0.042 4.416 4.460 -0.003 0.000 0.281 242 C C 2.707 177.722 174.990 0.040 0.000 1.336 242 C CA 0.928 59.991 59.018 0.074 0.000 1.770 242 C CB -1.919 25.879 27.740 0.097 0.000 1.929 242 C HN 0.815 nan 8.230 nan 0.000 0.509 243 G N 0.503 109.339 108.800 0.059 0.000 2.421 243 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.216 243 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.216 243 G C 1.505 175.945 174.900 -0.766 0.000 1.171 243 G CA 0.983 46.016 45.100 -0.111 0.000 0.775 243 G HN 0.466 nan 8.290 nan 0.000 0.543 244 L N 0.645 121.383 121.223 -0.808 0.000 2.046 244 L HA 0.057 4.396 4.340 -0.003 0.000 0.208 244 L C 2.720 179.375 176.870 -0.360 0.000 1.077 244 L CA 1.371 55.773 54.840 -0.730 0.000 0.747 244 L CB -0.482 41.405 42.059 -0.287 0.000 0.896 244 L HN 0.218 nan 8.230 nan 0.000 0.432 245 L N -1.444 119.677 121.223 -0.170 0.000 2.042 245 L HA -0.259 4.079 4.340 -0.003 0.000 0.210 245 L C 2.505 179.256 176.870 -0.198 0.000 1.076 245 L CA 0.981 55.796 54.840 -0.041 0.000 0.749 245 L CB -0.702 41.458 42.059 0.168 0.000 0.893 245 L HN 0.307 nan 8.230 nan 0.000 0.432 246 L N -0.873 120.267 121.223 -0.138 0.000 2.017 246 L HA -0.173 4.166 4.340 -0.003 0.000 0.208 246 L C 2.443 179.073 176.870 -0.399 0.000 1.073 246 L CA 1.397 56.099 54.840 -0.229 0.000 0.745 246 L CB -0.788 41.238 42.059 -0.056 0.000 0.894 246 L HN -0.036 nan 8.230 nan 0.000 0.432 247 V N -1.599 118.105 119.914 -0.349 0.000 2.295 247 V HA -0.250 3.868 4.120 -0.003 0.000 0.246 247 V C 2.416 178.368 176.094 -0.238 0.000 1.049 247 V CA 1.565 63.709 62.300 -0.260 0.000 1.024 247 V CB -0.397 31.292 31.823 -0.223 0.000 0.648 247 V HN 0.282 nan 8.190 nan 0.000 0.447 248 V N 0.592 120.349 119.914 -0.262 0.000 2.667 248 V HA -0.062 4.057 4.120 -0.003 0.000 0.252 248 V C 2.326 178.226 176.094 -0.323 0.000 1.065 248 V CA 1.981 64.159 62.300 -0.202 0.000 1.083 248 V CB -0.212 31.535 31.823 -0.126 0.000 0.692 248 V HN 0.594 nan 8.190 nan 0.000 0.468 249 G N -1.005 107.390 108.800 -0.675 0.000 2.551 249 G HA2 -0.064 3.894 3.960 -0.003 0.000 0.216 249 G HA3 -0.064 3.894 3.960 -0.003 0.000 0.216 249 G C 1.148 175.690 174.900 -0.596 0.000 1.137 249 G CA 0.427 44.950 45.100 -0.962 0.000 0.798 249 G HN 0.471 nan 8.290 nan 0.000 0.536 250 L N -0.365 120.577 121.223 -0.468 0.000 2.616 250 L HA 0.385 4.723 4.340 -0.003 0.000 0.229 250 L C 0.563 177.346 176.870 -0.144 0.000 1.110 250 L CA 0.552 55.245 54.840 -0.246 0.000 0.884 250 L CB 0.817 42.751 42.059 -0.210 0.000 1.115 250 L HN 0.046 nan 8.230 nan 0.000 0.481 251 D N -2.090 118.233 120.400 -0.127 0.000 2.785 251 D HA 0.114 4.752 4.640 -0.003 0.000 0.324 251 D C 1.105 177.397 176.300 -0.013 0.000 1.523 251 D CA 0.838 54.806 54.000 -0.055 0.000 0.789 251 D CB 0.556 41.334 40.800 -0.036 0.000 1.171 251 D HN 0.224 nan 8.370 nan 0.000 0.447 252 T N -4.227 110.319 114.554 -0.013 0.000 3.447 252 T HA 0.081 4.429 4.350 -0.003 0.000 0.218 252 T C 1.819 176.574 174.700 0.092 0.000 0.972 252 T CA 0.515 62.637 62.100 0.036 0.000 1.264 252 T CB -0.537 68.345 68.868 0.024 0.000 1.284 252 T HN -0.163 nan 8.240 nan 0.000 0.361 253 V N 2.468 122.433 119.914 0.086 0.000 2.392 253 V HA -0.154 3.965 4.120 -0.003 0.000 0.249 253 V C 2.942 179.138 176.094 0.171 0.000 1.059 253 V CA 1.635 64.033 62.300 0.163 0.000 1.051 253 V CB -0.980 30.911 31.823 0.114 0.000 0.658 253 V HN 0.439 nan 8.190 nan 0.000 0.455 254 V N 0.848 120.807 119.914 0.075 0.000 2.282 254 V HA -0.315 3.803 4.120 -0.003 0.000 0.249 254 V C 2.288 178.408 176.094 0.043 0.000 1.057 254 V CA 2.442 64.766 62.300 0.041 0.000 1.032 254 V CB -0.800 31.015 31.823 -0.015 0.000 0.645 254 V HN 0.635 nan 8.190 nan 0.000 0.447 255 N N -0.763 117.967 118.700 0.050 0.000 2.207 255 N HA -0.101 4.637 4.740 -0.003 0.000 0.182 255 N C 1.796 177.323 175.510 0.029 0.000 1.020 255 N CA 1.437 54.475 53.050 -0.019 0.000 0.858 255 N CB -0.352 38.156 38.487 0.035 0.000 0.991 255 N HN 0.539 nan 8.380 nan 0.000 0.427 256 F N 2.348 122.363 119.950 0.108 0.000 2.171 256 F HA -0.048 4.477 4.527 -0.003 0.000 0.300 256 F C 2.148 178.037 175.800 0.149 0.000 1.090 256 F CA 0.920 59.041 58.000 0.201 0.000 1.293 256 F CB -0.173 38.904 39.000 0.128 0.000 1.013 256 F HN -0.091 nan 8.300 nan 0.000 0.486 257 L N -0.706 120.597 121.223 0.133 0.000 2.079 257 L HA -0.268 4.071 4.340 -0.003 0.000 0.210 257 L C 2.514 179.400 176.870 0.026 0.000 1.081 257 L CA 1.521 56.441 54.840 0.134 0.000 0.752 257 L CB -0.958 41.322 42.059 0.369 0.000 0.896 257 L HN 0.087 nan 8.230 nan 0.000 0.433 258 S N -0.659 115.044 115.700 0.004 0.000 2.383 258 S HA -0.090 4.378 4.470 -0.003 0.000 0.227 258 S C 1.753 176.133 174.600 -0.366 0.000 1.026 258 S CA 1.046 59.188 58.200 -0.098 0.000 0.981 258 S CB -0.250 62.870 63.200 -0.133 0.000 0.818 258 S HN 0.211 nan 8.310 nan 0.000 0.472 259 F N 2.137 121.847 119.950 -0.400 0.000 2.134 259 F HA -0.065 4.460 4.527 -0.003 0.000 0.299 259 F C 2.760 178.027 175.800 -0.889 0.000 1.097 259 F CA 0.825 58.453 58.000 -0.619 0.000 1.264 259 F CB -0.992 37.642 39.000 -0.611 0.000 1.001 259 F HN 0.093 nan 8.300 nan 0.000 0.479 260 S N -0.294 115.006 115.700 -0.667 0.000 2.356 260 S HA -0.238 4.230 4.470 -0.003 0.000 0.223 260 S C 2.006 176.402 174.600 -0.340 0.000 1.032 260 S CA 1.483 59.353 58.200 -0.550 0.000 1.005 260 S CB -0.415 62.505 63.200 -0.467 0.000 0.867 260 S HN 0.271 nan 8.310 nan 0.000 0.449 261 M N 1.794 121.125 119.600 -0.449 0.000 2.254 261 M HA 0.012 4.490 4.480 -0.003 0.000 0.265 261 M C 1.853 177.927 176.300 -0.377 0.000 1.066 261 M CA 1.317 56.268 55.300 -0.582 0.000 1.123 261 M CB -0.406 31.383 32.600 -1.352 0.000 1.388 261 M HN 0.343 nan 8.290 nan 0.000 0.425 262 E N -0.931 119.075 120.200 -0.323 0.000 2.051 262 E HA -0.252 4.096 4.350 -0.003 0.000 0.192 262 E C 1.977 178.499 176.600 -0.130 0.000 0.991 262 E CA 1.524 57.819 56.400 -0.175 0.000 0.799 262 E CB -0.439 29.206 29.700 -0.091 0.000 0.748 262 E HN 0.559 nan 8.360 nan 0.000 0.449 263 F N 1.331 121.090 119.950 -0.318 0.000 2.095 263 F HA -0.180 4.345 4.527 -0.003 0.000 0.298 263 F C 1.966 177.671 175.800 -0.158 0.000 1.104 263 F CA 1.440 59.299 58.000 -0.234 0.000 1.232 263 F CB -0.105 38.693 39.000 -0.337 0.000 0.987 263 F HN 0.005 nan 8.300 nan 0.000 0.475 264 L N 0.006 121.114 121.223 -0.192 0.000 2.093 264 L HA -0.165 4.173 4.340 -0.003 0.000 0.208 264 L C 2.779 179.401 176.870 -0.413 0.000 1.085 264 L CA 1.003 55.699 54.840 -0.239 0.000 0.755 264 L CB -1.142 40.933 42.059 0.027 0.000 0.904 264 L HN 0.275 nan 8.230 nan 0.000 0.435 265 A N -0.008 122.643 122.820 -0.282 0.000 2.015 265 A HA -0.165 4.154 4.320 -0.003 0.000 0.219 265 A C 2.181 179.574 177.584 -0.318 0.000 1.163 265 A CA 1.356 53.186 52.037 -0.345 0.000 0.646 265 A CB -0.208 18.812 19.000 0.034 0.000 0.806 265 A HN 0.342 nan 8.150 nan 0.000 0.448 266 K N -0.841 119.376 120.400 -0.306 0.000 2.393 266 K HA 0.135 4.453 4.320 -0.003 0.000 0.193 266 K C 0.202 176.605 176.600 -0.329 0.000 1.026 266 K CA 0.437 56.567 56.287 -0.262 0.000 1.064 266 K CB 0.362 32.748 32.500 -0.190 0.000 0.833 266 K HN 0.231 nan 8.250 nan 0.000 0.521 267 S N 1.204 116.631 115.700 -0.456 0.000 2.395 267 S HA 0.276 4.744 4.470 -0.003 0.000 0.207 267 S C -2.376 172.085 174.600 -0.232 0.000 1.454 267 S CA -1.717 56.260 58.200 -0.371 0.000 1.211 267 S CB 0.773 63.593 63.200 -0.632 0.000 1.093 267 S HN -0.135 nan 8.310 nan 0.000 0.472 268 P HA -0.096 nan 4.420 nan 0.000 0.218 268 P C 0.973 178.226 177.300 -0.078 0.000 1.148 268 P CA 1.047 64.057 63.100 -0.150 0.000 0.822 268 P CB 0.249 31.873 31.700 -0.126 0.000 0.784 269 E N -1.420 118.743 120.200 -0.062 0.000 2.058 269 E HA -0.212 4.136 4.350 -0.003 0.000 0.194 269 E C 1.926 178.479 176.600 -0.078 0.000 0.997 269 E CA 1.506 57.857 56.400 -0.082 0.000 0.801 269 E CB -1.178 28.445 29.700 -0.128 0.000 0.746 269 E HN 0.476 nan 8.360 nan 0.000 0.450 270 H N -0.246 118.802 119.070 -0.037 0.000 2.423 270 H HA 0.114 4.669 4.556 -0.003 0.000 0.297 270 H C 1.951 177.402 175.328 0.205 0.000 1.075 270 H CA 1.236 57.359 56.048 0.125 0.000 1.342 270 H CB 0.121 29.976 29.762 0.154 0.000 1.395 270 H HN 0.011 nan 8.280 nan 0.000 0.530 271 R N 0.127 120.726 120.500 0.165 0.000 2.081 271 R HA -0.167 4.171 4.340 -0.003 0.000 0.235 271 R C 2.200 178.558 176.300 0.096 0.000 1.131 271 R CA 1.429 57.594 56.100 0.107 0.000 0.960 271 R CB -0.165 30.112 30.300 -0.037 0.000 0.856 271 R HN 0.273 nan 8.270 nan 0.000 0.436 272 Q N 1.293 121.124 119.800 0.050 0.000 2.084 272 Q HA -0.202 4.136 4.340 -0.003 0.000 0.202 272 Q C 1.820 177.856 176.000 0.059 0.000 0.978 272 Q CA 1.860 57.684 55.803 0.036 0.000 0.844 272 Q CB -0.096 28.643 28.738 0.002 0.000 0.898 272 Q HN 0.366 nan 8.270 nan 0.000 0.426 273 E N -0.653 119.599 120.200 0.086 0.000 2.085 273 E HA -0.182 4.166 4.350 -0.003 0.000 0.194 273 E C 1.708 178.388 176.600 0.132 0.000 0.994 273 E CA 1.254 57.722 56.400 0.113 0.000 0.801 273 E CB -0.135 29.664 29.700 0.165 0.000 0.743 273 E HN 0.466 nan 8.360 nan 0.000 0.453 274 L N 0.404 121.720 121.223 0.155 0.000 2.240 274 L HA -0.046 4.292 4.340 -0.003 0.000 0.211 274 L C 2.361 179.273 176.870 0.069 0.000 1.106 274 L CA 0.372 55.269 54.840 0.094 0.000 0.793 274 L CB -0.168 41.940 42.059 0.080 0.000 0.927 274 L HN 0.236 nan 8.230 nan 0.000 0.446 275 I N -0.244 120.369 120.570 0.073 0.000 2.353 275 I HA -0.201 3.967 4.170 -0.003 0.000 0.248 275 I C 2.239 178.381 176.117 0.041 0.000 1.119 275 I CA 1.193 62.525 61.300 0.053 0.000 1.417 275 I CB -0.094 37.936 38.000 0.049 0.000 1.078 275 I HN 0.250 nan 8.210 nan 0.000 0.421 276 E N 0.874 121.099 120.200 0.042 0.000 2.216 276 E HA -0.016 4.332 4.350 -0.003 0.000 0.192 276 E C 0.434 177.055 176.600 0.035 0.000 0.988 276 E CA 0.571 56.991 56.400 0.033 0.000 0.834 276 E CB 0.229 29.947 29.700 0.030 0.000 0.772 276 E HN 0.417 nan 8.360 nan 0.000 0.479 277 R N 0.485 121.011 120.500 0.043 0.000 2.585 277 R HA 0.184 4.522 4.340 -0.003 0.000 0.278 277 R C -2.366 173.956 176.300 0.037 0.000 1.663 277 R CA -1.344 54.781 56.100 0.041 0.000 1.592 277 R CB 1.068 31.398 30.300 0.050 0.000 1.200 277 R HN -0.039 nan 8.270 nan 0.000 0.611 278 P HA -0.238 nan 4.420 nan 0.000 0.219 278 P C 1.140 178.452 177.300 0.020 0.000 1.146 278 P CA 1.100 64.215 63.100 0.025 0.000 0.808 278 P CB 0.291 32.007 31.700 0.025 0.000 0.779 279 E N 0.211 120.425 120.200 0.023 0.000 2.401 279 E HA -0.171 4.177 4.350 -0.003 0.000 0.199 279 E C 1.421 178.032 176.600 0.020 0.000 1.023 279 E CA 0.998 57.412 56.400 0.023 0.000 0.859 279 E CB -0.655 29.060 29.700 0.026 0.000 0.780 279 E HN 0.332 nan 8.360 nan 0.000 0.523 280 R N 0.103 120.612 120.500 0.014 0.000 2.310 280 R HA 0.171 4.510 4.340 -0.003 0.000 0.202 280 R C 1.982 178.243 176.300 -0.066 0.000 0.933 280 R CA -0.135 55.966 56.100 0.001 0.000 1.054 280 R CB 0.060 30.380 30.300 0.033 0.000 0.985 280 R HN 0.127 nan 8.270 nan 0.000 0.489 281 I N 1.544 122.082 120.570 -0.054 0.000 2.118 281 I HA -0.183 3.986 4.170 -0.003 0.000 0.241 281 I C -0.693 175.391 176.117 -0.055 0.000 1.070 281 I CA 1.634 62.888 61.300 -0.077 0.000 1.327 281 I CB -1.961 36.030 38.000 -0.014 0.000 1.034 281 I HN -0.027 nan 8.210 nan 0.000 0.405 282 P HA -0.141 nan 4.420 nan 0.000 0.215 282 P C 1.735 179.051 177.300 0.026 0.000 1.157 282 P CA 2.196 65.313 63.100 0.027 0.000 0.874 282 P CB -0.026 31.698 31.700 0.039 0.000 0.790 283 A N -0.245 122.584 122.820 0.015 0.000 1.933 283 A HA -0.114 4.204 4.320 -0.003 0.000 0.218 283 A C 2.306 179.901 177.584 0.018 0.000 1.175 283 A CA 2.054 54.116 52.037 0.043 0.000 0.628 283 A CB -1.607 17.431 19.000 0.064 0.000 0.814 283 A HN 0.192 nan 8.150 nan 0.000 0.444 284 A N -0.983 121.739 122.820 -0.164 0.000 1.933 284 A HA -0.207 4.111 4.320 -0.003 0.000 0.218 284 A C 2.397 179.918 177.584 -0.105 0.000 1.175 284 A CA 1.667 53.422 52.037 -0.470 0.000 0.628 284 A CB -1.454 16.842 19.000 -1.175 0.000 0.814 284 A HN 0.900 nan 8.150 nan 0.000 0.444 285 C N -0.578 118.708 119.300 -0.023 0.000 2.413 285 C HA -0.126 4.332 4.460 -0.003 0.000 0.276 285 C C 2.569 177.635 174.990 0.127 0.000 1.248 285 C CA 1.859 60.939 59.018 0.103 0.000 1.742 285 C CB -1.034 26.770 27.740 0.106 0.000 2.017 285 C HN 0.676 nan 8.230 nan 0.000 0.481 286 E N 0.659 120.926 120.200 0.112 0.000 2.106 286 E HA -0.166 4.183 4.350 -0.003 0.000 0.192 286 E C 2.056 178.729 176.600 0.122 0.000 0.984 286 E CA 1.700 58.179 56.400 0.132 0.000 0.806 286 E CB -0.361 29.437 29.700 0.164 0.000 0.750 286 E HN 0.779 nan 8.360 nan 0.000 0.458 287 E N -0.140 120.157 120.200 0.162 0.000 2.150 287 E HA -0.096 4.252 4.350 -0.003 0.000 0.193 287 E C 1.821 178.493 176.600 0.121 0.000 0.985 287 E CA 0.963 57.463 56.400 0.167 0.000 0.814 287 E CB -0.214 29.670 29.700 0.307 0.000 0.752 287 E HN 0.333 nan 8.360 nan 0.000 0.466 288 L N -0.124 121.231 121.223 0.220 0.000 2.156 288 L HA -0.062 4.277 4.340 -0.003 0.000 0.208 288 L C 2.394 179.507 176.870 0.404 0.000 1.095 288 L CA 0.596 55.636 54.840 0.333 0.000 0.770 288 L CB -0.314 42.000 42.059 0.425 0.000 0.914 288 L HN 0.205 nan 8.230 nan 0.000 0.439 289 L N -0.417 120.913 121.223 0.178 0.000 2.131 289 L HA -0.204 4.134 4.340 -0.003 0.000 0.210 289 L C 2.845 179.491 176.870 -0.373 0.000 1.092 289 L CA 1.102 55.788 54.840 -0.256 0.000 0.759 289 L CB -0.402 41.317 42.059 -0.567 0.000 0.903 289 L HN 0.272 nan 8.230 nan 0.000 0.435 290 R N 0.243 120.571 120.500 -0.286 0.000 2.055 290 R HA -0.181 4.157 4.340 -0.003 0.000 0.228 290 R C 2.477 178.620 176.300 -0.261 0.000 1.143 290 R CA 1.330 57.277 56.100 -0.254 0.000 0.945 290 R CB -0.109 30.152 30.300 -0.065 0.000 0.841 290 R HN 0.047 nan 8.270 nan 0.000 0.429 291 R N 0.011 120.317 120.500 -0.324 0.000 2.096 291 R HA -0.084 4.254 4.340 -0.003 0.000 0.235 291 R C 0.634 176.397 176.300 -0.894 0.000 1.127 291 R CA 1.624 57.335 56.100 -0.649 0.000 0.968 291 R CB -0.240 29.506 30.300 -0.924 0.000 0.861 291 R HN 0.274 nan 8.270 nan 0.000 0.440 292 F N 0.224 120.074 119.950 -0.168 0.000 2.923 292 F HA 0.394 4.919 4.527 -0.003 0.000 0.314 292 F C 0.420 176.088 175.800 -0.219 0.000 1.196 292 F CA -0.553 57.280 58.000 -0.279 0.000 1.320 292 F CB 0.303 39.124 39.000 -0.298 0.000 0.953 292 F HN -0.121 nan 8.300 nan 0.000 0.505 293 S N 1.752 117.342 115.700 -0.183 0.000 2.563 293 S HA 0.196 4.664 4.470 -0.003 0.000 0.284 293 S C 0.866 175.294 174.600 -0.287 0.000 1.331 293 S CA -0.032 58.020 58.200 -0.246 0.000 1.047 293 S CB 0.488 63.508 63.200 -0.299 0.000 0.859 293 S HN 0.569 nan 8.310 nan 0.000 0.514 294 L N 2.060 123.138 121.223 -0.242 0.000 3.515 294 L HA 0.578 4.917 4.340 -0.003 0.000 0.322 294 L C -0.861 175.864 176.870 -0.242 0.000 1.225 294 L CA -0.564 54.136 54.840 -0.234 0.000 1.104 294 L CB 0.228 42.292 42.059 0.008 0.000 1.506 294 L HN 0.321 nan 8.230 nan 0.000 0.624 295 V N 1.796 121.556 119.914 -0.257 0.000 2.532 295 V HA 0.852 4.971 4.120 -0.003 0.000 0.295 295 V C 0.229 176.152 176.094 -0.284 0.000 1.041 295 V CA 0.027 62.195 62.300 -0.220 0.000 0.926 295 V CB 1.544 33.284 31.823 -0.139 0.000 0.992 295 V HN 0.343 nan 8.190 nan 0.000 0.457 296 A N 3.395 126.063 122.820 -0.253 0.000 2.684 296 A HA 0.677 4.995 4.320 -0.003 0.000 0.289 296 A C -0.798 176.712 177.584 -0.125 0.000 1.139 296 A CA -0.624 51.291 52.037 -0.203 0.000 0.793 296 A CB 0.611 19.390 19.000 -0.367 0.000 1.334 296 A HN 0.847 nan 8.150 nan 0.000 0.408 297 D N 1.265 121.644 120.400 -0.034 0.000 2.723 297 D HA 0.862 5.500 4.640 -0.003 0.000 0.247 297 D C 0.472 176.811 176.300 0.066 0.000 1.134 297 D CA 0.062 54.040 54.000 -0.038 0.000 1.099 297 D CB 1.185 42.005 40.800 0.033 0.000 1.287 297 D HN 0.834 nan 8.370 nan 0.000 0.634 298 G N -1.720 107.126 108.800 0.076 0.000 2.677 298 G HA2 0.572 4.530 3.960 -0.003 0.000 0.283 298 G HA3 0.572 4.530 3.960 -0.003 0.000 0.283 298 G C -1.054 173.879 174.900 0.055 0.000 1.221 298 G CA -0.709 44.419 45.100 0.048 0.000 0.851 298 G HN 0.449 nan 8.290 nan 0.000 0.504 299 R N -1.278 119.249 120.500 0.045 0.000 2.831 299 R HA 0.645 4.983 4.340 -0.003 0.000 0.266 299 R C -1.464 174.923 176.300 0.145 0.000 1.051 299 R CA -0.739 55.422 56.100 0.102 0.000 0.943 299 R CB 1.636 32.029 30.300 0.155 0.000 1.228 299 R HN 0.599 nan 8.270 nan 0.000 0.467 300 I N 1.286 121.945 120.570 0.149 0.000 2.545 300 I HA 0.281 4.449 4.170 -0.003 0.000 0.292 300 I C -0.736 175.454 176.117 0.122 0.000 1.040 300 I CA -1.037 60.350 61.300 0.145 0.000 1.068 300 I CB 1.371 39.428 38.000 0.095 0.000 1.251 300 I HN 0.220 nan 8.210 nan 0.000 0.424 301 L N 6.519 127.813 121.223 0.119 0.000 2.410 301 L HA 0.122 4.460 4.340 -0.003 0.000 0.273 301 L C 1.589 178.456 176.870 -0.005 0.000 1.144 301 L CA 0.448 55.290 54.840 0.003 0.000 0.863 301 L CB 0.955 43.040 42.059 0.044 0.000 1.140 301 L HN 0.806 nan 8.230 nan 0.000 0.463 302 T N -1.524 112.993 114.554 -0.063 0.000 3.088 302 T HA 0.059 4.407 4.350 -0.003 0.000 0.259 302 T C 0.733 175.416 174.700 -0.029 0.000 1.122 302 T CA 0.480 62.555 62.100 -0.041 0.000 1.095 302 T CB 0.123 68.945 68.868 -0.076 0.000 0.930 302 T HN 0.647 nan 8.240 nan 0.000 0.508 303 S N -0.409 115.278 115.700 -0.023 0.000 2.636 303 S HA 0.421 4.889 4.470 -0.003 0.000 0.266 303 S C -2.110 172.505 174.600 0.024 0.000 1.147 303 S CA -1.189 57.014 58.200 0.005 0.000 0.815 303 S CB 0.860 64.067 63.200 0.012 0.000 1.119 303 S HN 0.055 nan 8.310 nan 0.000 0.470 304 D N 1.007 121.425 120.400 0.030 0.000 2.443 304 D HA 0.470 5.108 4.640 -0.003 0.000 0.239 304 D C -0.815 175.543 176.300 0.097 0.000 1.136 304 D CA 1.028 55.051 54.000 0.039 0.000 0.879 304 D CB 0.142 40.952 40.800 0.017 0.000 1.195 304 D HN 0.549 nan 8.370 nan 0.000 0.443 305 Y N 0.297 120.524 120.300 -0.122 0.000 2.436 305 Y HA 0.157 4.705 4.550 -0.003 0.000 0.327 305 Y C -1.297 174.525 175.900 -0.131 0.000 1.138 305 Y CA -0.918 57.057 58.100 -0.208 0.000 1.042 305 Y CB 1.208 39.403 38.460 -0.442 0.000 1.302 305 Y HN 0.253 nan 8.280 nan 0.000 0.439 306 E N 5.923 125.812 120.200 -0.518 0.000 2.130 306 E HA 0.319 4.668 4.350 -0.003 0.000 0.284 306 E C -1.675 174.462 176.600 -0.772 0.000 1.018 306 E CA -0.420 55.704 56.400 -0.459 0.000 0.817 306 E CB 1.365 30.905 29.700 -0.266 0.000 1.078 306 E HN 0.375 nan 8.360 nan 0.000 0.396 307 F N 3.542 123.099 119.950 -0.654 0.000 2.499 307 F HA 0.200 4.725 4.527 -0.003 0.000 0.333 307 F C 0.032 175.743 175.800 -0.149 0.000 1.138 307 F CA -0.763 56.962 58.000 -0.457 0.000 0.945 307 F CB 0.379 39.264 39.000 -0.191 0.000 1.181 307 F HN 0.551 nan 8.300 nan 0.000 0.435 308 H N 4.145 122.884 119.070 -0.552 0.000 2.626 308 H HA -0.193 4.361 4.556 -0.003 0.000 0.317 308 H C 1.427 176.594 175.328 -0.267 0.000 1.140 308 H CA 1.174 56.944 56.048 -0.462 0.000 1.134 308 H CB -1.012 28.366 29.762 -0.640 0.000 1.486 308 H HN 1.187 nan 8.280 nan 0.000 0.417 309 G N -1.144 107.558 108.800 -0.163 0.000 2.184 309 G HA2 -0.321 3.637 3.960 -0.003 0.000 0.264 309 G HA3 -0.321 3.637 3.960 -0.003 0.000 0.264 309 G C 0.285 175.144 174.900 -0.069 0.000 0.975 309 G CA 0.367 45.409 45.100 -0.097 0.000 0.642 309 G HN 0.481 nan 8.290 nan 0.000 0.536 310 V N 0.549 120.400 119.914 -0.105 0.000 2.459 310 V HA 0.605 4.723 4.120 -0.003 0.000 0.295 310 V C 0.333 176.340 176.094 -0.146 0.000 1.029 310 V CA -0.782 61.447 62.300 -0.119 0.000 0.874 310 V CB 1.841 33.529 31.823 -0.226 0.000 0.985 310 V HN 0.339 nan 8.190 nan 0.000 0.438 311 Q N 4.407 124.175 119.800 -0.052 0.000 2.323 311 Q HA 0.457 4.796 4.340 -0.003 0.000 0.257 311 Q C -1.106 174.942 176.000 0.080 0.000 1.022 311 Q CA 0.274 56.080 55.803 0.004 0.000 0.919 311 Q CB 0.564 29.351 28.738 0.082 0.000 1.220 311 Q HN 0.677 nan 8.270 nan 0.000 0.427 312 L N 3.469 124.688 121.223 -0.007 0.000 2.322 312 L HA 0.550 4.888 4.340 -0.003 0.000 0.279 312 L C 0.151 177.093 176.870 0.120 0.000 1.036 312 L CA -0.832 54.060 54.840 0.087 0.000 0.807 312 L CB 1.472 43.496 42.059 -0.058 0.000 1.226 312 L HN 0.496 nan 8.230 nan 0.000 0.433 313 K N 2.707 123.199 120.400 0.153 0.000 2.123 313 K HA 0.270 4.589 4.320 -0.003 0.000 0.259 313 K C -0.345 176.286 176.600 0.051 0.000 0.960 313 K CA -0.820 55.439 56.287 -0.047 0.000 0.872 313 K CB 1.560 33.794 32.500 -0.444 0.000 1.079 313 K HN 0.443 nan 8.250 nan 0.000 0.440 314 K N 1.715 122.124 120.400 0.015 0.000 2.511 314 K HA -0.052 4.266 4.320 -0.003 0.000 0.280 314 K C 0.530 177.169 176.600 0.065 0.000 1.008 314 K CA 1.602 57.909 56.287 0.035 0.000 1.050 314 K CB -0.030 32.478 32.500 0.014 0.000 0.889 314 K HN 0.858 nan 8.250 nan 0.000 0.484 315 G N 3.089 111.944 108.800 0.091 0.000 2.241 315 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.244 315 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.244 315 G C -0.311 174.703 174.900 0.191 0.000 0.998 315 G CA 0.161 45.331 45.100 0.116 0.000 0.621 315 G HN 0.727 nan 8.290 nan 0.000 0.519 316 D N 1.552 122.116 120.400 0.273 0.000 2.443 316 D HA 0.409 5.047 4.640 -0.003 0.000 0.239 316 D C 0.854 177.395 176.300 0.401 0.000 1.136 316 D CA 0.537 54.808 54.000 0.451 0.000 0.879 316 D CB 0.518 41.764 40.800 0.745 0.000 1.195 316 D HN 0.503 nan 8.370 nan 0.000 0.443 317 Q N 0.824 120.851 119.800 0.379 0.000 2.230 317 Q HA 0.601 4.939 4.340 -0.003 0.000 0.253 317 Q C -0.397 175.826 176.000 0.372 0.000 0.919 317 Q CA -0.593 55.374 55.803 0.272 0.000 0.908 317 Q CB 2.457 31.279 28.738 0.140 0.000 1.245 317 Q HN 0.458 nan 8.270 nan 0.000 0.437 318 I N 2.824 123.568 120.570 0.290 0.000 2.478 318 I HA 0.251 4.419 4.170 -0.003 0.000 0.287 318 I C -1.639 174.548 176.117 0.117 0.000 1.042 318 I CA -1.075 60.409 61.300 0.305 0.000 1.067 318 I CB 1.242 39.422 38.000 0.300 0.000 1.233 318 I HN 0.495 nan 8.210 nan 0.000 0.431 319 L N 8.371 129.670 121.223 0.127 0.000 2.331 319 L HA 0.442 4.781 4.340 -0.003 0.000 0.278 319 L C -1.174 175.715 176.870 0.032 0.000 1.106 319 L CA 0.227 55.094 54.840 0.044 0.000 0.824 319 L CB 0.889 42.992 42.059 0.073 0.000 1.142 319 L HN 0.551 nan 8.230 nan 0.000 0.443 320 L N 7.495 128.704 121.223 -0.024 0.000 2.445 320 L HA 0.388 4.726 4.340 -0.003 0.000 0.252 320 L C -2.184 174.738 176.870 0.087 0.000 1.105 320 L CA -1.701 53.083 54.840 -0.094 0.000 0.943 320 L CB 0.943 42.680 42.059 -0.537 0.000 1.277 320 L HN 0.493 nan 8.230 nan 0.000 0.465 321 P HA -0.000 nan 4.420 nan 0.000 0.254 321 P C 0.271 177.569 177.300 -0.003 0.000 1.186 321 P CA 0.179 63.293 63.100 0.023 0.000 0.868 321 P CB 0.690 32.435 31.700 0.076 0.000 0.856 322 Q N 2.663 122.457 119.800 -0.009 0.000 2.181 322 Q HA -0.188 4.150 4.340 -0.003 0.000 0.205 322 Q C 1.897 177.825 176.000 -0.121 0.000 0.980 322 Q CA 1.546 57.329 55.803 -0.032 0.000 0.862 322 Q CB -0.522 28.162 28.738 -0.090 0.000 0.905 322 Q HN 0.524 nan 8.270 nan 0.000 0.429 323 M N -0.336 119.130 119.600 -0.224 0.000 2.149 323 M HA -0.187 4.291 4.480 -0.003 0.000 0.261 323 M C 1.392 177.574 176.300 -0.197 0.000 1.064 323 M CA 1.503 56.633 55.300 -0.283 0.000 1.102 323 M CB 0.020 32.329 32.600 -0.484 0.000 1.369 323 M HN 0.288 nan 8.290 nan 0.000 0.408 324 L N -0.585 120.558 121.223 -0.134 0.000 2.217 324 L HA -0.132 4.206 4.340 -0.003 0.000 0.211 324 L C 2.421 179.246 176.870 -0.075 0.000 1.107 324 L CA 0.670 55.461 54.840 -0.081 0.000 0.783 324 L CB -0.587 41.451 42.059 -0.035 0.000 0.919 324 L HN 0.309 nan 8.230 nan 0.000 0.442 325 S N 0.462 116.124 115.700 -0.063 0.000 2.365 325 S HA -0.194 4.274 4.470 -0.003 0.000 0.225 325 S C 1.963 176.531 174.600 -0.053 0.000 1.039 325 S CA 1.613 59.779 58.200 -0.056 0.000 1.033 325 S CB -0.675 62.497 63.200 -0.046 0.000 0.887 325 S HN 0.620 nan 8.310 nan 0.000 0.447 326 G N 0.553 109.326 108.800 -0.045 0.000 2.534 326 G HA2 0.041 3.999 3.960 -0.003 0.000 0.217 326 G HA3 0.041 3.999 3.960 -0.003 0.000 0.217 326 G C 1.107 175.961 174.900 -0.077 0.000 1.128 326 G CA 0.169 45.248 45.100 -0.034 0.000 0.784 326 G HN 0.453 nan 8.290 nan 0.000 0.542 327 L N 0.221 121.385 121.223 -0.097 0.000 2.567 327 L HA 0.174 4.513 4.340 -0.003 0.000 0.225 327 L C 0.498 177.315 176.870 -0.088 0.000 1.119 327 L CA -0.274 54.502 54.840 -0.107 0.000 0.871 327 L CB 0.114 42.105 42.059 -0.114 0.000 1.036 327 L HN 0.019 nan 8.230 nan 0.000 0.459 328 D N 1.693 122.046 120.400 -0.078 0.000 2.358 328 D HA -0.062 4.577 4.640 -0.003 0.000 0.258 328 D C 1.312 177.570 176.300 -0.071 0.000 1.223 328 D CA 0.031 53.986 54.000 -0.076 0.000 0.886 328 D CB 1.048 41.803 40.800 -0.074 0.000 1.120 328 D HN 0.371 nan 8.370 nan 0.000 0.482 329 E N 3.463 123.619 120.200 -0.073 0.000 2.267 329 E HA -0.233 4.115 4.350 -0.003 0.000 0.197 329 E C 1.149 177.713 176.600 -0.059 0.000 0.998 329 E CA 0.771 57.129 56.400 -0.070 0.000 0.830 329 E CB -0.045 29.612 29.700 -0.072 0.000 0.751 329 E HN 0.444 nan 8.360 nan 0.000 0.491 330 R N 0.463 120.927 120.500 -0.059 0.000 2.235 330 R HA 0.007 4.345 4.340 -0.003 0.000 0.213 330 R C 1.785 178.057 176.300 -0.047 0.000 1.059 330 R CA 1.201 57.270 56.100 -0.052 0.000 0.997 330 R CB 0.034 30.300 30.300 -0.057 0.000 0.884 330 R HN 0.339 nan 8.270 nan 0.000 0.462 331 E N -0.395 119.775 120.200 -0.050 0.000 2.290 331 E HA 0.109 4.457 4.350 -0.003 0.000 0.197 331 E C -0.209 176.370 176.600 -0.036 0.000 0.948 331 E CA 0.214 56.589 56.400 -0.043 0.000 0.895 331 E CB 0.596 30.268 29.700 -0.048 0.000 0.865 331 E HN 0.179 nan 8.360 nan 0.000 0.486 332 N N 0.388 119.063 118.700 -0.042 0.000 2.454 332 N HA 0.278 5.016 4.740 -0.003 0.000 0.291 332 N C -1.185 174.296 175.510 -0.049 0.000 1.079 332 N CA -0.191 52.837 53.050 -0.037 0.000 0.893 332 N CB 2.031 40.497 38.487 -0.036 0.000 1.512 332 N HN -0.027 nan 8.380 nan 0.000 0.497 333 A N 0.529 123.324 122.820 -0.042 0.000 2.445 333 A HA 0.262 4.580 4.320 -0.003 0.000 0.242 333 A C 0.783 178.320 177.584 -0.079 0.000 1.075 333 A CA -0.020 51.984 52.037 -0.055 0.000 0.777 333 A CB -0.180 18.797 19.000 -0.038 0.000 1.013 333 A HN 0.970 nan 8.150 nan 0.000 0.493 334 C N 1.860 121.084 119.300 -0.126 0.000 3.899 334 C HA -0.107 4.352 4.460 -0.003 0.000 0.297 334 C C -0.231 174.651 174.990 -0.181 0.000 1.371 334 C CA -0.042 58.836 59.018 -0.233 0.000 2.088 334 C CB -2.478 25.096 27.740 -0.276 0.000 1.346 334 C HN 0.883 nan 8.230 nan 0.000 0.658 335 P HA -0.215 nan 4.420 nan 0.000 0.216 335 P C 1.452 178.677 177.300 -0.125 0.000 1.150 335 P CA 1.721 64.752 63.100 -0.115 0.000 0.843 335 P CB -0.017 31.619 31.700 -0.107 0.000 0.787 336 M N -1.509 118.020 119.600 -0.119 0.000 2.562 336 M HA -0.000 4.478 4.480 -0.003 0.000 0.257 336 M C 0.994 177.316 176.300 0.038 0.000 1.099 336 M CA 0.494 55.750 55.300 -0.074 0.000 1.099 336 M CB -1.550 31.034 32.600 -0.026 0.000 1.427 336 M HN 0.117 nan 8.290 nan 0.000 0.489 337 H N -0.179 118.840 119.070 -0.085 0.000 2.610 337 H HA 0.294 4.848 4.556 -0.003 0.000 0.336 337 H C -0.420 174.846 175.328 -0.102 0.000 1.087 337 H CA -0.717 55.297 56.048 -0.057 0.000 1.405 337 H CB 1.566 31.314 29.762 -0.023 0.000 1.460 337 H HN -0.179 nan 8.280 nan 0.000 0.538 338 V N 3.672 123.577 119.914 -0.014 0.000 2.364 338 V HA 0.028 4.146 4.120 -0.003 0.000 0.272 338 V C -0.084 175.980 176.094 -0.049 0.000 1.036 338 V CA -0.197 62.015 62.300 -0.148 0.000 0.880 338 V CB 1.135 32.676 31.823 -0.469 0.000 0.991 338 V HN 0.762 nan 8.190 nan 0.000 0.460 339 D N 3.966 124.343 120.400 -0.037 0.000 2.473 339 D HA 0.366 5.004 4.640 -0.003 0.000 0.253 339 D C 0.403 176.761 176.300 0.096 0.000 1.233 339 D CA -0.540 53.452 54.000 -0.014 0.000 0.908 339 D CB 1.006 41.829 40.800 0.038 0.000 1.170 339 D HN 0.208 nan 8.370 nan 0.000 0.558 340 F N 1.399 121.439 119.950 0.150 0.000 2.494 340 F HA -0.011 4.514 4.527 -0.002 0.000 0.298 340 F C 2.157 178.007 175.800 0.084 0.000 1.106 340 F CA 0.453 58.526 58.000 0.122 0.000 1.452 340 F CB -0.467 38.620 39.000 0.144 0.000 1.085 340 F HN 0.295 nan 8.300 nan 0.000 0.569 341 S N -0.995 114.838 115.700 0.222 0.000 2.577 341 S HA 0.073 4.541 4.470 -0.003 0.000 0.219 341 S C 0.868 175.531 174.600 0.105 0.000 0.962 341 S CA -0.517 57.768 58.200 0.142 0.000 0.921 341 S CB -0.241 63.019 63.200 0.099 0.000 0.789 341 S HN 0.168 nan 8.310 nan 0.000 0.497 342 R N 2.172 122.739 120.500 0.112 0.000 2.494 342 R HA -0.038 4.300 4.340 -0.003 0.000 0.291 342 R C 1.186 177.529 176.300 0.070 0.000 0.953 342 R CA 0.257 56.405 56.100 0.080 0.000 1.098 342 R CB 0.318 30.667 30.300 0.081 0.000 0.911 342 R HN 0.229 nan 8.270 nan 0.000 0.407 343 Q N 2.838 122.669 119.800 0.051 0.000 1.948 343 Q HA -0.184 4.154 4.340 -0.003 0.000 0.205 343 Q C 0.364 176.387 176.000 0.038 0.000 0.992 343 Q CA 1.722 57.550 55.803 0.042 0.000 0.849 343 Q CB -0.188 28.568 28.738 0.030 0.000 0.918 343 Q HN 0.307 nan 8.270 nan 0.000 0.421 344 K N 1.186 121.604 120.400 0.030 0.000 2.484 344 K HA 0.251 4.569 4.320 -0.003 0.000 0.226 344 K C -1.447 175.166 176.600 0.022 0.000 1.031 344 K CA -0.247 56.053 56.287 0.022 0.000 1.026 344 K CB 0.612 33.118 32.500 0.010 0.000 1.412 344 K HN -0.182 nan 8.250 nan 0.000 0.492 345 V N 2.951 122.888 119.914 0.038 0.000 2.403 345 V HA 0.112 4.230 4.120 -0.003 0.000 0.265 345 V C 0.199 176.302 176.094 0.016 0.000 1.034 345 V CA -0.135 62.199 62.300 0.056 0.000 1.036 345 V CB 0.451 32.340 31.823 0.109 0.000 1.032 345 V HN 0.700 nan 8.190 nan 0.000 0.478 346 S N 4.985 120.686 115.700 0.001 0.000 2.475 346 S HA 0.789 5.257 4.470 -0.003 0.000 0.298 346 S C -0.664 173.932 174.600 -0.008 0.000 1.119 346 S CA -0.508 57.657 58.200 -0.059 0.000 1.085 346 S CB 0.629 63.802 63.200 -0.045 0.000 1.028 346 S HN 1.124 nan 8.310 nan 0.000 0.489 347 H N -0.209 118.838 119.070 -0.038 0.000 2.950 347 H HA 0.480 5.034 4.556 -0.003 0.000 0.307 347 H C -0.616 174.680 175.328 -0.054 0.000 1.403 347 H CA -0.327 55.681 56.048 -0.068 0.000 1.145 347 H CB 0.615 30.321 29.762 -0.094 0.000 1.844 347 H HN 0.360 nan 8.280 nan 0.000 0.515 348 T N -2.542 112.120 114.554 0.180 0.000 3.487 348 T HA 0.180 4.528 4.350 -0.003 0.000 0.287 348 T C 0.452 175.195 174.700 0.072 0.000 1.004 348 T CA 0.141 62.312 62.100 0.119 0.000 0.977 348 T CB -0.423 68.458 68.868 0.021 0.000 1.180 348 T HN 0.611 nan 8.240 nan 0.000 0.490 349 T N 1.423 116.024 114.554 0.079 0.000 2.759 349 T HA -0.003 4.345 4.350 -0.003 0.000 0.269 349 T C 0.506 174.974 174.700 -0.386 0.000 1.042 349 T CA 1.377 63.269 62.100 -0.348 0.000 1.140 349 T CB -0.403 67.975 68.868 -0.818 0.000 0.864 349 T HN 0.496 nan 8.240 nan 0.000 0.455 350 F N 1.199 121.141 119.950 -0.013 0.000 2.645 350 F HA 0.468 4.994 4.527 -0.002 0.000 0.300 350 F C 1.589 177.351 175.800 -0.064 0.000 1.115 350 F CA -0.211 57.756 58.000 -0.055 0.000 1.355 350 F CB -0.491 38.479 39.000 -0.049 0.000 1.026 350 F HN 0.306 nan 8.300 nan 0.000 0.536 351 G N -0.038 108.785 108.800 0.038 0.000 2.660 351 G HA2 -0.059 3.899 3.960 -0.003 0.000 0.247 351 G HA3 -0.059 3.899 3.960 -0.003 0.000 0.247 351 G C -1.508 173.390 174.900 -0.003 0.000 1.328 351 G CA -0.713 44.329 45.100 -0.098 0.000 0.884 351 G HN 0.508 nan 8.290 nan 0.000 0.531 352 H N -1.038 117.881 119.070 -0.253 0.000 3.079 352 H HA 0.689 5.244 4.556 -0.003 0.000 0.356 352 H C 0.509 175.828 175.328 -0.015 0.000 1.221 352 H CA 1.824 57.823 56.048 -0.080 0.000 1.185 352 H CB 1.389 31.158 29.762 0.012 0.000 1.882 352 H HN 2.686 nan 8.280 nan 0.000 0.543 353 G N 0.884 109.456 108.800 -0.381 0.000 2.660 353 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.215 353 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.215 353 G C 1.151 176.018 174.900 -0.056 0.000 1.345 353 G CA 0.502 45.533 45.100 -0.115 0.000 0.877 353 G HN 1.424 nan 8.290 nan 0.000 0.549 354 S N -1.161 114.533 115.700 -0.011 0.000 2.440 354 S HA -0.146 4.322 4.470 -0.003 0.000 0.238 354 S C 1.396 175.854 174.600 -0.236 0.000 1.010 354 S CA 2.085 60.197 58.200 -0.148 0.000 0.972 354 S CB -0.332 62.709 63.200 -0.265 0.000 0.774 354 S HN 0.778 nan 8.310 nan 0.000 0.501 355 H N 0.361 119.420 119.070 -0.018 0.000 2.517 355 H HA 0.333 4.887 4.556 -0.003 0.000 0.282 355 H C 0.328 175.635 175.328 -0.034 0.000 1.023 355 H CA -0.453 55.587 56.048 -0.013 0.000 1.169 355 H CB -0.152 29.615 29.762 0.009 0.000 1.454 355 H HN 0.334 nan 8.280 nan 0.000 0.556 356 L N 1.918 123.151 121.223 0.017 0.000 2.678 356 L HA -0.118 4.220 4.340 -0.003 0.000 0.285 356 L C 0.598 177.467 176.870 -0.001 0.000 1.233 356 L CA 0.154 54.992 54.840 -0.002 0.000 0.920 356 L CB -0.075 41.965 42.059 -0.033 0.000 1.176 356 L HN 0.309 nan 8.230 nan 0.000 0.495 357 C N 6.186 125.494 119.300 0.014 0.000 2.334 357 C HA -0.041 4.417 4.460 -0.003 0.000 0.395 357 C C 1.856 176.770 174.990 -0.127 0.000 1.507 357 C CA -0.069 58.935 59.018 -0.022 0.000 1.494 357 C CB -1.273 26.483 27.740 0.027 0.000 2.509 357 C HN 0.901 nan 8.230 nan 0.000 0.599 358 L N 4.925 126.100 121.223 -0.080 0.000 2.446 358 L HA 0.200 4.538 4.340 -0.003 0.000 0.219 358 L C 2.325 179.121 176.870 -0.123 0.000 1.116 358 L CA 1.126 55.918 54.840 -0.080 0.000 0.844 358 L CB -0.346 41.708 42.059 -0.007 0.000 0.970 358 L HN 0.946 nan 8.230 nan 0.000 0.457 359 G N -0.504 108.210 108.800 -0.144 0.000 3.337 359 G HA2 -0.009 3.950 3.960 -0.003 0.000 0.246 359 G HA3 -0.009 3.950 3.960 -0.003 0.000 0.246 359 G C 1.256 175.980 174.900 -0.293 0.000 1.131 359 G CA -0.200 44.816 45.100 -0.140 0.000 0.773 359 G HN 0.477 nan 8.290 nan 0.000 0.544 360 Q N -0.292 119.137 119.800 -0.619 0.000 2.291 360 Q HA -0.149 4.190 4.340 -0.003 0.000 0.206 360 Q C 1.620 177.207 176.000 -0.689 0.000 0.976 360 Q CA 1.052 56.210 55.803 -1.075 0.000 0.875 360 Q CB -0.424 27.204 28.738 -1.851 0.000 0.927 360 Q HN 0.459 nan 8.270 nan 0.000 0.450 361 H N 0.517 119.432 119.070 -0.257 0.000 2.363 361 H HA -0.029 4.526 4.556 -0.002 0.000 0.301 361 H C 2.113 177.396 175.328 -0.075 0.000 1.074 361 H CA 1.228 57.194 56.048 -0.137 0.000 1.354 361 H CB -0.108 29.597 29.762 -0.095 0.000 1.397 361 H HN 0.254 nan 8.280 nan 0.000 0.516 362 L N 1.240 122.479 121.223 0.026 0.000 2.056 362 L HA 0.010 4.348 4.340 -0.003 0.000 0.207 362 L C 2.509 179.392 176.870 0.022 0.000 1.078 362 L CA 1.711 56.566 54.840 0.025 0.000 0.749 362 L CB -0.887 41.180 42.059 0.013 0.000 0.901 362 L HN 0.154 nan 8.230 nan 0.000 0.433 363 A N -0.181 122.633 122.820 -0.010 0.000 1.865 363 A HA -0.231 4.087 4.320 -0.003 0.000 0.217 363 A C 2.442 180.092 177.584 0.109 0.000 1.191 363 A CA 1.916 53.989 52.037 0.060 0.000 0.623 363 A CB -0.601 18.465 19.000 0.111 0.000 0.826 363 A HN 0.501 nan 8.150 nan 0.000 0.444 364 R N -1.260 119.284 120.500 0.072 0.000 2.096 364 R HA -0.148 4.190 4.340 -0.003 0.000 0.235 364 R C 2.447 178.827 176.300 0.134 0.000 1.127 364 R CA 1.539 57.707 56.100 0.114 0.000 0.968 364 R CB -0.288 30.062 30.300 0.083 0.000 0.861 364 R HN 0.466 nan 8.270 nan 0.000 0.440 365 R N 1.717 122.288 120.500 0.118 0.000 2.073 365 R HA -0.127 4.211 4.340 -0.003 0.000 0.234 365 R C 1.618 178.040 176.300 0.204 0.000 1.134 365 R CA 1.811 57.993 56.100 0.136 0.000 0.952 365 R CB -0.319 30.045 30.300 0.107 0.000 0.850 365 R HN 0.279 nan 8.270 nan 0.000 0.433 366 E N -0.338 119.990 120.200 0.214 0.000 2.106 366 E HA -0.135 4.213 4.350 -0.003 0.000 0.192 366 E C 2.023 178.900 176.600 0.461 0.000 0.984 366 E CA 1.496 58.118 56.400 0.369 0.000 0.806 366 E CB -0.143 29.658 29.700 0.168 0.000 0.750 366 E HN 0.379 nan 8.360 nan 0.000 0.458 367 I N 0.921 121.692 120.570 0.334 0.000 2.202 367 I HA -0.243 3.925 4.170 -0.003 0.000 0.242 367 I C 2.212 178.481 176.117 0.253 0.000 1.091 367 I CA 0.637 62.138 61.300 0.334 0.000 1.368 367 I CB -0.158 38.040 38.000 0.330 0.000 1.058 367 I HN 0.123 nan 8.210 nan 0.000 0.410 368 I N 0.374 121.065 120.570 0.203 0.000 2.226 368 I HA -0.210 3.959 4.170 -0.003 0.000 0.245 368 I C 2.660 178.864 176.117 0.146 0.000 1.100 368 I CA 1.476 62.864 61.300 0.147 0.000 1.374 368 I CB -1.041 37.030 38.000 0.119 0.000 1.057 368 I HN 0.072 nan 8.210 nan 0.000 0.413 369 V N 0.793 120.818 119.914 0.186 0.000 2.343 369 V HA -0.272 3.846 4.120 -0.003 0.000 0.247 369 V C 2.574 178.744 176.094 0.126 0.000 1.051 369 V CA 2.254 64.654 62.300 0.167 0.000 1.036 369 V CB -1.047 30.925 31.823 0.249 0.000 0.654 369 V HN 0.435 nan 8.190 nan 0.000 0.451 370 T N 0.423 115.078 114.554 0.168 0.000 2.708 370 T HA -0.144 4.204 4.350 -0.003 0.000 0.266 370 T C 1.894 176.649 174.700 0.092 0.000 1.037 370 T CA 1.629 63.799 62.100 0.118 0.000 1.146 370 T CB -0.314 68.701 68.868 0.245 0.000 0.865 370 T HN 0.290 nan 8.240 nan 0.000 0.435 371 L N 0.715 121.999 121.223 0.103 0.000 2.012 371 L HA -0.128 4.210 4.340 -0.003 0.000 0.210 371 L C 2.869 179.794 176.870 0.092 0.000 1.073 371 L CA 1.355 56.244 54.840 0.082 0.000 0.748 371 L CB -0.520 41.580 42.059 0.068 0.000 0.891 371 L HN 0.143 nan 8.230 nan 0.000 0.431 372 K N 0.200 120.646 120.400 0.077 0.000 2.002 372 K HA -0.179 4.140 4.320 -0.003 0.000 0.209 372 K C 1.961 178.589 176.600 0.047 0.000 1.048 372 K CA 1.517 57.840 56.287 0.060 0.000 0.930 372 K CB -0.029 32.503 32.500 0.054 0.000 0.714 372 K HN 0.235 nan 8.250 nan 0.000 0.438 373 E N -0.250 119.974 120.200 0.040 0.000 2.204 373 E HA -0.182 4.167 4.350 -0.003 0.000 0.194 373 E C 1.744 178.319 176.600 -0.043 0.000 0.989 373 E CA 0.518 56.915 56.400 -0.005 0.000 0.824 373 E CB -0.326 29.366 29.700 -0.012 0.000 0.756 373 E HN 0.492 nan 8.360 nan 0.000 0.477 374 W N 1.353 122.539 121.300 -0.190 0.000 2.408 374 W HA -0.043 4.615 4.660 -0.003 0.000 0.311 374 W C 1.757 178.148 176.519 -0.213 0.000 1.190 374 W CA 0.763 57.936 57.345 -0.287 0.000 1.321 374 W CB -0.342 28.888 29.460 -0.384 0.000 1.143 374 W HN 0.007 nan 8.180 nan 0.000 0.501 375 L N 0.496 121.833 121.223 0.189 0.000 2.265 375 L HA -0.194 4.144 4.340 -0.003 0.000 0.215 375 L C 2.294 179.176 176.870 0.019 0.000 1.117 375 L CA 1.441 56.373 54.840 0.154 0.000 0.782 375 L CB -0.983 41.175 42.059 0.165 0.000 0.914 375 L HN -0.128 nan 8.230 nan 0.000 0.441 376 T N -0.794 113.743 114.554 -0.029 0.000 2.857 376 T HA -0.086 4.263 4.350 -0.003 0.000 0.266 376 T C 2.029 176.664 174.700 -0.109 0.000 1.048 376 T CA 1.110 63.180 62.100 -0.051 0.000 1.139 376 T CB 0.034 68.877 68.868 -0.042 0.000 0.874 376 T HN 0.342 nan 8.240 nan 0.000 0.455 377 R N -0.220 120.154 120.500 -0.209 0.000 2.146 377 R HA 0.271 4.609 4.340 -0.003 0.000 0.206 377 R C -0.136 175.938 176.300 -0.377 0.000 1.049 377 R CA 0.534 56.464 56.100 -0.284 0.000 1.029 377 R CB 0.328 30.412 30.300 -0.360 0.000 0.949 377 R HN 0.233 nan 8.270 nan 0.000 0.471 378 I N 2.197 122.447 120.570 -0.533 0.000 2.750 378 I HA 0.166 4.334 4.170 -0.003 0.000 0.279 378 I C -1.918 174.138 176.117 -0.101 0.000 1.206 378 I CA -1.957 59.006 61.300 -0.561 0.000 1.101 378 I CB 1.906 39.125 38.000 -1.303 0.000 1.431 378 I HN -0.110 nan 8.210 nan 0.000 0.551 379 P HA -0.068 nan 4.420 nan 0.000 0.219 379 P C 0.137 177.540 177.300 0.172 0.000 1.150 379 P CA 1.033 64.209 63.100 0.126 0.000 0.814 379 P CB 0.534 32.262 31.700 0.047 0.000 0.787 380 D N -0.280 120.222 120.400 0.170 0.000 2.425 380 D HA 0.463 5.101 4.640 -0.003 0.000 0.240 380 D C -0.874 175.611 176.300 0.309 0.000 1.080 380 D CA -0.749 53.325 54.000 0.124 0.000 0.836 380 D CB 0.610 41.458 40.800 0.080 0.000 1.125 380 D HN -0.034 nan 8.370 nan 0.000 0.525 381 F N 0.381 120.399 119.950 0.113 0.000 2.713 381 F HA 0.808 5.333 4.527 -0.003 0.000 0.311 381 F C -1.070 174.808 175.800 0.129 0.000 1.141 381 F CA -0.875 57.253 58.000 0.212 0.000 0.939 381 F CB 1.189 40.348 39.000 0.266 0.000 1.325 381 F HN 0.127 nan 8.300 nan 0.000 0.453 382 S N 0.598 116.484 115.700 0.311 0.000 2.671 382 S HA 0.660 5.129 4.470 -0.003 0.000 0.277 382 S C -1.216 173.495 174.600 0.184 0.000 1.165 382 S CA -0.712 57.559 58.200 0.120 0.000 0.822 382 S CB 1.892 65.123 63.200 0.053 0.000 1.150 382 S HN 0.583 nan 8.310 nan 0.000 0.479 383 I N 2.174 122.797 120.570 0.089 0.000 2.634 383 I HA 0.341 4.510 4.170 -0.003 0.000 0.284 383 I C 0.983 177.147 176.117 0.077 0.000 1.124 383 I CA 0.126 61.476 61.300 0.083 0.000 1.417 383 I CB 0.092 38.114 38.000 0.037 0.000 1.396 383 I HN 0.768 nan 8.210 nan 0.000 0.571 384 A N 7.434 130.300 122.820 0.076 0.000 2.520 384 A HA 0.301 4.619 4.320 -0.003 0.000 0.235 384 A C -2.154 175.449 177.584 0.031 0.000 1.065 384 A CA -0.828 51.239 52.037 0.050 0.000 0.764 384 A CB -0.971 18.054 19.000 0.041 0.000 1.002 384 A HN 0.576 nan 8.150 nan 0.000 0.502 385 P HA 0.182 nan 4.420 nan 0.000 0.260 385 P C 1.060 178.367 177.300 0.012 0.000 1.172 385 P CA 1.957 65.065 63.100 0.013 0.000 0.760 385 P CB 0.371 32.075 31.700 0.006 0.000 0.773 386 G N 2.354 111.160 108.800 0.010 0.000 2.196 386 G HA2 -0.260 3.699 3.960 -0.003 0.000 0.268 386 G HA3 -0.260 3.699 3.960 -0.003 0.000 0.268 386 G C 0.479 175.386 174.900 0.012 0.000 0.975 386 G CA 0.114 45.219 45.100 0.009 0.000 0.648 386 G HN 0.868 nan 8.290 nan 0.000 0.538 387 A N -0.245 122.585 122.820 0.017 0.000 2.409 387 A HA 0.644 4.962 4.320 -0.003 0.000 0.262 387 A C 0.434 178.028 177.584 0.017 0.000 1.113 387 A CA 0.252 52.301 52.037 0.021 0.000 0.790 387 A CB 0.335 19.353 19.000 0.030 0.000 1.046 387 A HN 0.520 nan 8.150 nan 0.000 0.496 388 Q N 2.239 122.048 119.800 0.016 0.000 2.381 388 Q HA 0.389 4.727 4.340 -0.003 0.000 0.263 388 Q C -0.969 175.039 176.000 0.013 0.000 1.030 388 Q CA -0.159 55.650 55.803 0.010 0.000 0.772 388 Q CB 1.594 30.336 28.738 0.007 0.000 1.232 388 Q HN 0.747 nan 8.270 nan 0.000 0.476 389 I N 2.532 123.108 120.570 0.010 0.000 2.587 389 I HA -0.069 4.099 4.170 -0.003 0.000 0.284 389 I C 0.283 176.399 176.117 -0.001 0.000 1.134 389 I CA 0.254 61.569 61.300 0.024 0.000 1.410 389 I CB 0.340 38.366 38.000 0.043 0.000 1.392 389 I HN 0.468 nan 8.210 nan 0.000 0.545 390 Q N 6.403 126.237 119.800 0.056 0.000 2.271 390 Q HA 0.359 4.697 4.340 -0.003 0.000 0.258 390 Q C -1.021 175.108 176.000 0.214 0.000 0.936 390 Q CA -0.341 55.505 55.803 0.073 0.000 0.909 390 Q CB 1.033 29.813 28.738 0.069 0.000 1.253 390 Q HN 0.565 nan 8.270 nan 0.000 0.440 391 H N 1.787 120.922 119.070 0.108 0.000 2.544 391 H HA 0.566 5.120 4.556 -0.003 0.000 0.342 391 H C -0.561 174.852 175.328 0.140 0.000 1.185 391 H CA -1.165 54.974 56.048 0.151 0.000 1.264 391 H CB 1.312 31.236 29.762 0.271 0.000 1.607 391 H HN 0.273 nan 8.280 nan 0.000 0.550 392 K N 1.029 121.596 120.400 0.277 0.000 2.422 392 K HA 0.317 4.635 4.320 -0.003 0.000 0.251 392 K C -0.925 175.820 176.600 0.242 0.000 0.933 392 K CA -0.547 55.864 56.287 0.207 0.000 0.798 392 K CB 2.819 35.402 32.500 0.139 0.000 1.238 392 K HN 0.460 nan 8.250 nan 0.000 0.428 393 S N 0.348 116.194 115.700 0.244 0.000 2.578 393 S HA 0.903 5.371 4.470 -0.003 0.000 0.301 393 S C -0.247 174.491 174.600 0.230 0.000 1.091 393 S CA -0.004 58.369 58.200 0.290 0.000 1.032 393 S CB 1.372 64.795 63.200 0.373 0.000 1.064 393 S HN 0.851 nan 8.310 nan 0.000 0.508 394 G N 2.353 111.251 108.800 0.164 0.000 2.392 394 G HA2 0.207 4.165 3.960 -0.003 0.000 0.260 394 G HA3 0.207 4.165 3.960 -0.003 0.000 0.260 394 G C 0.170 175.011 174.900 -0.099 0.000 1.226 394 G CA -0.344 44.750 45.100 -0.009 0.000 0.913 394 G HN 0.542 nan 8.290 nan 0.000 0.483 395 I N -0.001 120.487 120.570 -0.137 0.000 2.264 395 I HA 0.017 4.185 4.170 -0.003 0.000 0.248 395 I C 0.876 176.902 176.117 -0.152 0.000 1.111 395 I CA 1.507 62.652 61.300 -0.258 0.000 1.382 395 I CB -0.734 36.978 38.000 -0.480 0.000 1.060 395 I HN 0.043 nan 8.210 nan 0.000 0.418 396 V N 0.785 120.669 119.914 -0.050 0.000 2.482 396 V HA 0.283 4.401 4.120 -0.003 0.000 0.295 396 V C 0.111 176.231 176.094 0.043 0.000 1.026 396 V CA -0.564 61.728 62.300 -0.013 0.000 0.856 396 V CB 1.811 33.653 31.823 0.030 0.000 1.001 396 V HN 0.082 nan 8.190 nan 0.000 0.424 397 S N 2.484 118.217 115.700 0.055 0.000 2.652 397 S HA 0.882 5.350 4.470 -0.003 0.000 0.270 397 S C 0.459 175.218 174.600 0.265 0.000 1.243 397 S CA 0.124 58.423 58.200 0.165 0.000 0.999 397 S CB 1.735 65.019 63.200 0.140 0.000 0.973 397 S HN 1.147 nan 8.310 nan 0.000 0.544 398 G N -0.393 108.523 108.800 0.193 0.000 2.682 398 G HA2 0.562 4.521 3.960 -0.003 0.000 0.303 398 G HA3 0.562 4.521 3.960 -0.003 0.000 0.303 398 G C -1.845 172.840 174.900 -0.358 0.000 1.341 398 G CA -0.503 44.503 45.100 -0.156 0.000 0.784 398 G HN 0.615 nan 8.290 nan 0.000 0.497 399 V N 0.833 120.447 119.914 -0.500 0.000 2.417 399 V HA 0.286 4.405 4.120 -0.003 0.000 0.291 399 V C 1.203 177.246 176.094 -0.085 0.000 1.024 399 V CA -0.321 61.804 62.300 -0.291 0.000 0.861 399 V CB 1.399 32.973 31.823 -0.414 0.000 0.985 399 V HN 0.845 nan 8.190 nan 0.000 0.436 400 Q N 4.393 124.207 119.800 0.023 0.000 2.050 400 Q HA 0.069 4.407 4.340 -0.003 0.000 0.202 400 Q C 0.540 176.557 176.000 0.027 0.000 0.980 400 Q CA 1.886 57.709 55.803 0.034 0.000 0.840 400 Q CB 0.138 28.912 28.738 0.061 0.000 0.898 400 Q HN 0.994 nan 8.270 nan 0.000 0.424 401 A N -0.929 121.914 122.820 0.038 0.000 2.589 401 A HA 0.578 4.896 4.320 -0.003 0.000 0.296 401 A C -1.998 175.622 177.584 0.059 0.000 1.062 401 A CA -0.597 51.468 52.037 0.047 0.000 0.686 401 A CB 1.228 20.257 19.000 0.049 0.000 1.282 401 A HN 0.206 nan 8.150 nan 0.000 0.404 402 L N 2.767 124.042 121.223 0.087 0.000 2.481 402 L HA 0.479 4.817 4.340 -0.003 0.000 0.255 402 L C -2.637 174.312 176.870 0.132 0.000 1.192 402 L CA -1.509 53.388 54.840 0.095 0.000 0.924 402 L CB 1.674 43.788 42.059 0.091 0.000 1.179 402 L HN 0.454 nan 8.230 nan 0.000 0.491 403 P HA 0.253 nan 4.420 nan 0.000 0.276 403 P C -0.965 176.418 177.300 0.140 0.000 1.243 403 P CA 0.037 63.207 63.100 0.115 0.000 0.768 403 P CB 1.151 32.895 31.700 0.074 0.000 0.856 404 L N 3.722 125.069 121.223 0.208 0.000 2.341 404 L HA 0.731 5.069 4.340 -0.003 0.000 0.267 404 L C 0.405 177.428 176.870 0.254 0.000 1.009 404 L CA -1.235 53.787 54.840 0.303 0.000 0.819 404 L CB 2.238 44.568 42.059 0.451 0.000 1.323 404 L HN 0.221 nan 8.230 nan 0.000 0.425 405 V N -1.513 118.582 119.914 0.301 0.000 3.078 405 V HA 0.824 4.942 4.120 -0.003 0.000 0.311 405 V C -1.701 174.618 176.094 0.375 0.000 1.138 405 V CA -0.618 61.729 62.300 0.077 0.000 1.007 405 V CB 1.801 33.626 31.823 0.003 0.000 1.045 405 V HN 0.988 nan 8.190 nan 0.000 0.432 406 W N 0.510 121.879 121.300 0.115 0.000 3.057 406 W HA 0.719 5.378 4.660 -0.003 0.000 0.328 406 W C -1.860 174.696 176.519 0.060 0.000 1.232 406 W CA -0.654 56.759 57.345 0.113 0.000 1.187 406 W CB 0.869 30.425 29.460 0.160 0.000 1.417 406 W HN 0.688 nan 8.180 nan 0.000 0.569 407 D N 2.223 122.796 120.400 0.288 0.000 2.347 407 D HA 0.362 5.000 4.640 -0.003 0.000 0.235 407 D C -1.456 174.993 176.300 0.247 0.000 1.149 407 D CA -2.431 51.664 54.000 0.157 0.000 0.850 407 D CB 1.868 42.736 40.800 0.112 0.000 1.061 407 D HN 0.057 nan 8.370 nan 0.000 0.487 408 P HA -0.175 nan 4.420 nan 0.000 0.217 408 P C 0.919 178.296 177.300 0.129 0.000 1.148 408 P CA 1.507 64.729 63.100 0.204 0.000 0.834 408 P CB 0.189 31.947 31.700 0.097 0.000 0.783 409 A N -0.784 122.090 122.820 0.090 0.000 2.125 409 A HA -0.138 4.180 4.320 -0.003 0.000 0.219 409 A C 1.972 179.591 177.584 0.059 0.000 1.156 409 A CA 2.025 54.097 52.037 0.059 0.000 0.671 409 A CB -1.587 17.439 19.000 0.043 0.000 0.794 409 A HN 0.365 nan 8.150 nan 0.000 0.459 410 T N -2.765 111.841 114.554 0.086 0.000 3.086 410 T HA 0.182 4.531 4.350 -0.003 0.000 0.250 410 T C 0.766 175.490 174.700 0.039 0.000 1.074 410 T CA 0.609 62.749 62.100 0.066 0.000 0.988 410 T CB -0.734 68.187 68.868 0.089 0.000 0.988 410 T HN 0.487 nan 8.240 nan 0.000 0.530 411 T N 0.169 114.744 114.554 0.035 0.000 2.927 411 T HA 0.724 5.072 4.350 -0.003 0.000 0.281 411 T C -0.984 173.694 174.700 -0.037 0.000 0.998 411 T CA -0.882 61.197 62.100 -0.035 0.000 1.019 411 T CB 1.456 70.291 68.868 -0.056 0.000 1.061 411 T HN 0.027 nan 8.240 nan 0.000 0.518 412 K N 0.900 121.256 120.400 -0.073 0.000 2.502 412 K HA 0.690 5.009 4.320 -0.003 0.000 0.254 412 K C -0.641 175.916 176.600 -0.072 0.000 0.947 412 K CA -0.451 55.803 56.287 -0.055 0.000 0.834 412 K CB 1.858 34.330 32.500 -0.047 0.000 1.112 412 K HN 0.875 nan 8.250 nan 0.000 0.427 413 A N 2.409 125.198 122.820 -0.051 0.000 2.309 413 A HA 0.725 5.043 4.320 -0.003 0.000 0.290 413 A C -0.467 177.093 177.584 -0.041 0.000 1.206 413 A CA -0.425 51.581 52.037 -0.052 0.000 0.850 413 A CB 0.396 19.376 19.000 -0.033 0.000 1.118 413 A HN 0.552 nan 8.150 nan 0.000 0.523 414 V N 0.000 119.886 119.914 -0.047 0.000 2.409 414 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 414 V CA 0.000 62.281 62.300 -0.032 0.000 1.235 414 V CB 0.000 31.806 31.823 -0.028 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556