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 1phf_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 RMCGLLLVGG 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 -0.026 0.000 0.885 10 N CB 0.000 38.476 38.487 -0.019 0.000 1.341 11 L N 2.208 123.414 121.223 -0.028 0.000 2.307 11 L HA 0.716 5.056 4.340 -0.000 0.000 0.284 11 L C 0.717 177.584 176.870 -0.006 0.000 1.023 11 L CA -0.552 54.272 54.840 -0.028 0.000 0.810 11 L CB 1.355 43.391 42.059 -0.039 0.000 1.231 11 L HN 0.582 nan 8.230 nan 0.000 0.423 12 A N 5.988 128.812 122.820 0.007 0.000 2.354 12 A HA 0.681 5.001 4.320 -0.000 0.000 0.269 12 A C -2.237 175.379 177.584 0.054 0.000 1.109 12 A CA -1.187 50.872 52.037 0.036 0.000 0.800 12 A CB -0.338 18.697 19.000 0.058 0.000 1.045 12 A HN 0.554 nan 8.150 nan 0.000 0.489 13 P HA 0.050 nan 4.420 nan 0.000 0.265 13 P C -0.424 176.899 177.300 0.039 0.000 1.193 13 P CA -0.143 62.974 63.100 0.029 0.000 0.765 13 P CB 0.464 32.175 31.700 0.019 0.000 0.823 14 L N 6.837 128.057 121.223 -0.004 0.000 2.462 14 L HA 0.195 4.535 4.340 -0.000 0.000 0.272 14 L C -1.773 175.006 176.870 -0.152 0.000 1.166 14 L CA -1.327 53.453 54.840 -0.101 0.000 0.880 14 L CB -0.611 41.362 42.059 -0.144 0.000 1.142 14 L HN 0.330 nan 8.230 nan 0.000 0.473 15 P HA 0.194 nan 4.420 nan 0.000 0.271 15 P C -2.333 174.836 177.300 -0.218 0.000 1.244 15 P CA -1.209 61.794 63.100 -0.162 0.000 0.793 15 P CB -0.070 31.526 31.700 -0.173 0.000 0.984 16 P HA -0.165 nan 4.420 nan 0.000 0.215 16 P C 1.392 178.652 177.300 -0.067 0.000 1.157 16 P CA 1.520 64.597 63.100 -0.039 0.000 0.863 16 P CB -0.446 31.278 31.700 0.040 0.000 0.787 17 H N -1.712 117.286 119.070 -0.120 0.000 2.567 17 H HA 0.060 4.616 4.556 -0.000 0.000 0.276 17 H C -0.024 175.249 175.328 -0.092 0.000 1.016 17 H CA 0.385 56.389 56.048 -0.073 0.000 1.186 17 H CB -1.195 28.559 29.762 -0.013 0.000 1.351 17 H HN -0.028 nan 8.280 nan 0.000 0.605 18 V N 4.252 123.813 119.914 -0.587 0.000 2.364 18 V HA 0.195 4.315 4.120 -0.000 0.000 0.272 18 V C -2.056 173.846 176.094 -0.319 0.000 1.036 18 V CA -1.706 60.257 62.300 -0.561 0.000 0.880 18 V CB 1.319 32.448 31.823 -1.156 0.000 0.991 18 V HN 0.184 nan 8.190 nan 0.000 0.460 19 P HA 0.119 nan 4.420 nan 0.000 0.266 19 P C 0.905 178.049 177.300 -0.260 0.000 1.215 19 P CA -0.205 62.758 63.100 -0.228 0.000 0.763 19 P CB 0.431 31.899 31.700 -0.385 0.000 0.806 20 E N 2.914 123.035 120.200 -0.132 0.000 2.273 20 E HA -0.299 4.051 4.350 -0.000 0.000 0.198 20 E C 1.221 177.809 176.600 -0.020 0.000 1.002 20 E CA 1.124 57.480 56.400 -0.073 0.000 0.828 20 E CB -0.656 29.027 29.700 -0.028 0.000 0.747 20 E HN 0.645 nan 8.360 nan 0.000 0.491 21 H N 0.708 119.792 119.070 0.023 0.000 2.529 21 H HA 0.084 4.640 4.556 -0.000 0.000 0.277 21 H C 1.671 177.046 175.328 0.078 0.000 0.999 21 H CA 0.471 56.545 56.048 0.044 0.000 1.256 21 H CB -0.094 29.688 29.762 0.033 0.000 1.402 21 H HN 0.242 nan 8.280 nan 0.000 0.566 22 L N 1.577 122.665 121.223 -0.226 0.000 2.592 22 L HA 0.156 4.496 4.340 -0.000 0.000 0.227 22 L C 0.271 177.204 176.870 0.105 0.000 1.127 22 L CA -0.287 54.541 54.840 -0.020 0.000 0.884 22 L CB 0.548 42.616 42.059 0.015 0.000 1.065 22 L HN -0.020 nan 8.230 nan 0.000 0.457 23 V N 0.473 120.433 119.914 0.077 0.000 2.637 23 V HA 0.057 4.177 4.120 -0.000 0.000 0.296 23 V C -0.540 175.660 176.094 0.176 0.000 1.046 23 V CA 0.198 62.569 62.300 0.119 0.000 1.066 23 V CB 1.024 32.885 31.823 0.063 0.000 0.968 23 V HN 0.089 nan 8.190 nan 0.000 0.483 24 F N 3.283 123.234 119.950 0.001 0.000 3.152 24 F HA 0.342 4.868 4.527 -0.000 0.000 0.367 24 F C -0.329 175.445 175.800 -0.043 0.000 1.272 24 F CA -0.786 57.203 58.000 -0.018 0.000 1.172 24 F CB 1.231 40.217 39.000 -0.024 0.000 1.552 24 F HN 0.539 nan 8.300 nan 0.000 0.616 25 D N 6.325 126.464 120.400 -0.435 0.000 2.508 25 D HA 0.034 4.673 4.640 -0.000 0.000 0.224 25 D C -0.469 175.695 176.300 -0.227 0.000 1.171 25 D CA 0.380 54.214 54.000 -0.278 0.000 1.006 25 D CB 0.164 40.831 40.800 -0.221 0.000 1.073 25 D HN 0.253 nan 8.370 nan 0.000 0.513 26 F N 2.128 121.924 119.950 -0.256 0.000 2.411 26 F HA 0.140 4.667 4.527 -0.000 0.000 0.350 26 F C 0.291 175.965 175.800 -0.210 0.000 1.114 26 F CA -0.933 56.950 58.000 -0.196 0.000 1.135 26 F CB 0.995 39.935 39.000 -0.099 0.000 1.120 26 F HN -0.063 nan 8.300 nan 0.000 0.495 27 D N 7.194 127.184 120.400 -0.684 0.000 2.443 27 D HA 0.099 4.739 4.640 -0.000 0.000 0.221 27 D C 1.000 176.785 176.300 -0.857 0.000 1.097 27 D CA -0.442 53.247 54.000 -0.518 0.000 0.865 27 D CB 0.863 41.498 40.800 -0.275 0.000 1.034 27 D HN 0.740 nan 8.370 nan 0.000 0.511 28 M N 2.046 121.252 119.600 -0.657 0.000 2.446 28 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 28 M C 0.227 176.240 176.300 -0.478 0.000 1.066 28 M CA 1.261 56.200 55.300 -0.601 0.000 1.087 28 M CB -0.241 32.212 32.600 -0.244 0.000 1.406 28 M HN 0.195 nan 8.290 nan 0.000 0.459 29 Y N 0.628 120.861 120.300 -0.113 0.000 2.500 29 Y HA 0.264 4.814 4.550 -0.000 0.000 0.270 29 Y C 0.763 176.631 175.900 -0.053 0.000 1.134 29 Y CA 0.146 58.227 58.100 -0.032 0.000 1.293 29 Y CB 0.323 38.768 38.460 -0.024 0.000 1.063 29 Y HN 0.481 nan 8.280 nan 0.000 0.534 30 N N 0.573 119.220 118.700 -0.088 0.000 2.884 30 N HA 0.099 4.839 4.740 -0.000 0.000 0.211 30 N C -3.352 172.011 175.510 -0.246 0.000 1.442 30 N CA -0.970 52.024 53.050 -0.092 0.000 0.757 30 N CB 0.960 39.430 38.487 -0.028 0.000 1.461 30 N HN -0.158 nan 8.380 nan 0.000 0.557 31 P HA 0.107 nan 4.420 nan 0.000 0.270 31 P C 0.653 177.863 177.300 -0.151 0.000 1.227 31 P CA -0.033 62.817 63.100 -0.416 0.000 0.788 31 P CB 1.053 32.584 31.700 -0.282 0.000 0.926 32 S N -0.029 115.615 115.700 -0.093 0.000 2.362 32 S HA -0.045 4.425 4.470 -0.000 0.000 0.221 32 S C 1.221 175.829 174.600 0.013 0.000 1.032 32 S CA 0.832 59.014 58.200 -0.031 0.000 0.973 32 S CB -0.541 62.648 63.200 -0.019 0.000 0.849 32 S HN 0.526 nan 8.310 nan 0.000 0.465 33 N N 2.035 120.765 118.700 0.050 0.000 2.484 33 N HA 0.093 4.833 4.740 -0.000 0.000 0.245 33 N C 0.841 176.392 175.510 0.068 0.000 1.184 33 N CA -0.075 53.011 53.050 0.060 0.000 0.884 33 N CB 0.212 38.746 38.487 0.079 0.000 1.182 33 N HN 0.173 nan 8.380 nan 0.000 0.493 34 L N 0.867 122.126 121.223 0.060 0.000 2.013 34 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 34 L C 2.126 179.019 176.870 0.037 0.000 1.073 34 L CA 1.770 56.655 54.840 0.076 0.000 0.753 34 L CB -0.817 41.290 42.059 0.080 0.000 0.890 34 L HN 0.132 nan 8.230 nan 0.000 0.432 35 S N -0.390 115.320 115.700 0.016 0.000 2.392 35 S HA -0.284 4.186 4.470 -0.000 0.000 0.232 35 S C 2.016 176.599 174.600 -0.028 0.000 1.041 35 S CA 1.306 59.500 58.200 -0.010 0.000 1.026 35 S CB -0.750 62.451 63.200 0.002 0.000 0.845 35 S HN 0.661 nan 8.310 nan 0.000 0.465 36 A N 0.765 123.587 122.820 0.003 0.000 2.066 36 A HA 0.465 4.785 4.320 -0.000 0.000 0.218 36 A C 1.154 178.742 177.584 0.007 0.000 1.157 36 A CA 1.006 53.051 52.037 0.014 0.000 0.670 36 A CB -0.594 18.432 19.000 0.043 0.000 0.804 36 A HN 0.960 nan 8.150 nan 0.000 0.453 37 G N -3.077 105.715 108.800 -0.014 0.000 2.335 37 G HA2 0.166 4.126 3.960 -0.000 0.000 0.592 37 G HA3 0.166 4.126 3.960 -0.000 0.000 0.592 37 G C 0.314 175.357 174.900 0.237 0.000 1.442 37 G CA -0.178 44.932 45.100 0.018 0.000 0.976 37 G HN 0.668 nan 8.290 nan 0.000 0.652 38 V N 0.518 120.735 119.914 0.505 0.000 2.323 38 V HA -0.079 4.040 4.120 -0.000 0.000 0.244 38 V C 2.780 179.042 176.094 0.280 0.000 1.041 38 V CA 3.214 65.752 62.300 0.397 0.000 1.025 38 V CB -0.303 31.762 31.823 0.404 0.000 0.656 38 V HN 0.764 nan 8.190 nan 0.000 0.451 39 Q N 0.106 119.969 119.800 0.104 0.000 2.084 39 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 39 Q C 2.036 178.106 176.000 0.117 0.000 0.978 39 Q CA 2.055 57.868 55.803 0.017 0.000 0.844 39 Q CB -0.426 28.231 28.738 -0.136 0.000 0.898 39 Q HN 0.663 nan 8.270 nan 0.000 0.426 40 E N 0.543 120.817 120.200 0.122 0.000 2.077 40 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 40 E C 1.863 178.558 176.600 0.159 0.000 0.989 40 E CA 1.289 57.755 56.400 0.110 0.000 0.800 40 E CB -0.549 29.206 29.700 0.091 0.000 0.746 40 E HN 0.391 nan 8.360 nan 0.000 0.452 41 A N 0.133 123.088 122.820 0.224 0.000 1.877 41 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 41 A C 1.903 179.674 177.584 0.313 0.000 1.186 41 A CA 1.400 53.586 52.037 0.249 0.000 0.620 41 A CB -1.085 18.069 19.000 0.256 0.000 0.822 41 A HN 0.349 nan 8.150 nan 0.000 0.443 42 W N -0.306 121.107 121.300 0.188 0.000 2.358 42 W HA 0.001 4.660 4.660 -0.000 0.000 0.303 42 W C 2.698 179.180 176.519 -0.062 0.000 1.208 42 W CA 1.424 58.841 57.345 0.120 0.000 1.274 42 W CB -0.541 28.957 29.460 0.064 0.000 1.138 42 W HN 0.365 nan 8.180 nan 0.000 0.515 43 A N 0.396 123.316 122.820 0.167 0.000 2.186 43 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 43 A C 2.008 179.579 177.584 -0.021 0.000 1.159 43 A CA 1.822 53.882 52.037 0.039 0.000 0.680 43 A CB -1.283 17.733 19.000 0.028 0.000 0.787 43 A HN 0.317 nan 8.150 nan 0.000 0.467 44 V N -1.983 117.931 119.914 0.001 0.000 2.594 44 V HA -0.212 3.907 4.120 -0.000 0.000 0.253 44 V C 1.988 177.970 176.094 -0.188 0.000 1.069 44 V CA 2.020 64.308 62.300 -0.021 0.000 1.082 44 V CB -0.951 30.934 31.823 0.102 0.000 0.680 44 V HN 0.477 nan 8.190 nan 0.000 0.469 45 L N -0.063 120.982 121.223 -0.298 0.000 2.353 45 L HA -0.095 4.245 4.340 -0.000 0.000 0.220 45 L C 2.528 179.196 176.870 -0.337 0.000 1.133 45 L CA 1.525 56.081 54.840 -0.473 0.000 0.798 45 L CB -0.591 41.163 42.059 -0.509 0.000 0.922 45 L HN 0.438 nan 8.230 nan 0.000 0.445 46 Q N -0.926 118.748 119.800 -0.210 0.000 2.198 46 Q HA 0.112 4.452 4.340 -0.000 0.000 0.209 46 Q C -0.057 175.864 176.000 -0.131 0.000 0.848 46 Q CA -0.287 55.423 55.803 -0.155 0.000 0.974 46 Q CB 0.589 29.262 28.738 -0.108 0.000 1.115 46 Q HN 0.312 nan 8.270 nan 0.000 0.494 47 E N 0.921 121.036 120.200 -0.143 0.000 2.408 47 E HA -0.028 4.322 4.350 -0.000 0.000 0.259 47 E C 1.095 177.634 176.600 -0.101 0.000 1.110 47 E CA 0.331 56.672 56.400 -0.097 0.000 0.929 47 E CB 0.975 30.629 29.700 -0.078 0.000 0.971 47 E HN 0.194 nan 8.360 nan 0.000 0.438 48 S N 1.819 117.480 115.700 -0.065 0.000 2.402 48 S HA -0.295 4.175 4.470 -0.000 0.000 0.233 48 S C 1.273 175.842 174.600 -0.051 0.000 1.030 48 S CA 1.843 60.011 58.200 -0.054 0.000 1.003 48 S CB -0.601 62.578 63.200 -0.036 0.000 0.813 48 S HN 0.671 nan 8.310 nan 0.000 0.477 49 N N 0.816 119.490 118.700 -0.043 0.000 2.520 49 N HA -0.000 4.740 4.740 -0.000 0.000 0.185 49 N C -0.177 175.300 175.510 -0.056 0.000 1.068 49 N CA 0.565 53.603 53.050 -0.021 0.000 0.911 49 N CB -0.242 38.260 38.487 0.026 0.000 0.961 49 N HN 0.345 nan 8.380 nan 0.000 0.446 50 V N 1.206 121.029 119.914 -0.152 0.000 2.398 50 V HA 0.387 4.507 4.120 -0.000 0.000 0.286 50 V C -2.110 173.892 176.094 -0.154 0.000 1.026 50 V CA -2.082 60.061 62.300 -0.261 0.000 0.868 50 V CB 1.072 32.524 31.823 -0.619 0.000 0.982 50 V HN 0.040 nan 8.190 nan 0.000 0.443 51 P HA 0.177 nan 4.420 nan 0.000 0.270 51 P C 0.225 177.484 177.300 -0.068 0.000 1.223 51 P CA -0.231 62.851 63.100 -0.029 0.000 0.785 51 P CB 0.703 32.436 31.700 0.055 0.000 0.923 52 D N -0.155 120.205 120.400 -0.066 0.000 2.182 52 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 52 D C 0.396 176.666 176.300 -0.050 0.000 0.986 52 D CA 1.566 55.510 54.000 -0.093 0.000 0.847 52 D CB -0.157 40.558 40.800 -0.140 0.000 0.942 52 D HN 0.092 nan 8.370 nan 0.000 0.467 53 L N 0.516 121.751 121.223 0.019 0.000 2.441 53 L HA 0.356 4.695 4.340 -0.000 0.000 0.270 53 L C -0.734 176.287 176.870 0.251 0.000 0.973 53 L CA -0.989 53.931 54.840 0.133 0.000 0.842 53 L CB 1.737 43.847 42.059 0.086 0.000 1.239 53 L HN -0.135 nan 8.230 nan 0.000 0.406 54 V N 1.670 121.762 119.914 0.296 0.000 3.158 54 V HA 0.712 4.831 4.120 -0.000 0.000 0.315 54 V C -1.372 174.933 176.094 0.352 0.000 1.148 54 V CA -0.775 61.699 62.300 0.291 0.000 1.042 54 V CB 2.180 34.089 31.823 0.143 0.000 1.101 54 V HN 0.906 nan 8.190 nan 0.000 0.448 55 W N 1.461 122.717 121.300 -0.073 0.000 2.739 55 W HA 0.678 5.339 4.660 0.000 0.000 0.331 55 W C -1.186 175.161 176.519 -0.288 0.000 1.049 55 W CA -0.218 56.884 57.345 -0.404 0.000 1.234 55 W CB 2.050 31.078 29.460 -0.719 0.000 1.404 55 W HN 0.900 nan 8.180 nan 0.000 0.477 56 T N 4.629 118.608 114.554 -0.958 0.000 2.888 56 T HA 0.411 4.761 4.350 -0.000 0.000 0.284 56 T C 0.778 174.999 174.700 -0.798 0.000 1.017 56 T CA -0.450 61.269 62.100 -0.636 0.000 1.022 56 T CB 1.419 69.967 68.868 -0.534 0.000 1.013 56 T HN 0.633 nan 8.240 nan 0.000 0.465 57 R N 1.558 121.853 120.500 -0.341 0.000 2.317 57 R HA 0.231 4.571 4.340 -0.000 0.000 0.208 57 R C 0.405 176.606 176.300 -0.166 0.000 0.914 57 R CA -0.169 55.826 56.100 -0.176 0.000 1.060 57 R CB -0.213 30.076 30.300 -0.018 0.000 1.015 57 R HN 0.550 nan 8.270 nan 0.000 0.498 58 C N 1.046 120.226 119.300 -0.200 0.000 2.520 58 C HA 0.162 4.622 4.460 -0.000 0.000 0.376 58 C C 0.840 175.817 174.990 -0.022 0.000 1.268 58 C CA -0.579 58.381 59.018 -0.095 0.000 2.414 58 C CB 0.320 28.002 27.740 -0.097 0.000 2.521 58 C HN 0.696 nan 8.230 nan 0.000 0.618 59 N N 0.289 119.008 118.700 0.032 0.000 2.725 59 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 59 N C 0.744 176.295 175.510 0.068 0.000 1.103 59 N CA 0.792 53.894 53.050 0.087 0.000 0.707 59 N CB -1.345 37.249 38.487 0.178 0.000 1.043 59 N HN 1.461 nan 8.380 nan 0.000 0.553 60 G N -1.490 107.324 108.800 0.022 0.000 2.162 60 G HA2 0.098 4.058 3.960 -0.000 0.000 0.260 60 G HA3 0.098 4.058 3.960 -0.000 0.000 0.260 60 G C 0.557 175.455 174.900 -0.003 0.000 0.976 60 G CA 0.465 45.577 45.100 0.020 0.000 0.655 60 G HN 1.658 nan 8.290 nan 0.000 0.533 61 G N -1.026 107.680 108.800 -0.158 0.000 3.338 61 G HA2 0.578 4.538 3.960 -0.000 0.000 0.686 61 G HA3 0.578 4.538 3.960 -0.000 0.000 0.686 61 G C -0.556 173.815 174.900 -0.883 0.000 1.053 61 G CA 0.455 45.218 45.100 -0.561 0.000 0.852 61 G HN 2.855 nan 8.290 nan 0.000 0.545 62 H N -1.706 116.329 119.070 -1.724 0.000 3.060 62 H HA 0.611 5.167 4.556 -0.000 0.000 0.330 62 H C -0.578 174.142 175.328 -1.014 0.000 1.305 62 H CA -1.588 53.825 56.048 -1.058 0.000 1.209 62 H CB 0.107 29.652 29.762 -0.362 0.000 1.913 62 H HN 0.659 nan 8.280 nan 0.000 0.534 63 W N 1.353 122.595 121.300 -0.096 0.000 2.161 63 W HA 0.591 5.251 4.660 -0.000 0.000 0.344 63 W C -0.193 176.386 176.519 0.100 0.000 1.262 63 W CA -0.495 56.920 57.345 0.118 0.000 1.270 63 W CB 0.709 30.348 29.460 0.299 0.000 1.126 63 W HN 0.441 nan 8.180 nan 0.000 0.598 64 I N 2.205 122.971 120.570 0.327 0.000 2.534 64 I HA 0.411 4.581 4.170 -0.000 0.000 0.288 64 I C -0.408 175.799 176.117 0.151 0.000 1.077 64 I CA -1.229 60.184 61.300 0.189 0.000 1.051 64 I CB 1.545 39.573 38.000 0.047 0.000 1.234 64 I HN 0.447 nan 8.210 nan 0.000 0.425 65 A N 3.032 125.912 122.820 0.100 0.000 2.289 65 A HA 0.560 4.880 4.320 -0.000 0.000 0.298 65 A C 0.766 178.342 177.584 -0.013 0.000 1.208 65 A CA -0.239 51.827 52.037 0.048 0.000 0.845 65 A CB 0.437 19.456 19.000 0.031 0.000 1.125 65 A HN 0.852 nan 8.150 nan 0.000 0.517 66 T N -0.361 114.158 114.554 -0.059 0.000 3.054 66 T HA 0.246 4.596 4.350 -0.000 0.000 0.255 66 T C 0.515 175.160 174.700 -0.091 0.000 1.035 66 T CA -0.127 61.917 62.100 -0.094 0.000 0.941 66 T CB 0.016 68.789 68.868 -0.159 0.000 1.026 66 T HN 0.516 nan 8.240 nan 0.000 0.533 67 R N 0.331 120.775 120.500 -0.095 0.000 2.670 67 R HA 0.585 4.925 4.340 -0.000 0.000 0.289 67 R C 1.535 177.779 176.300 -0.093 0.000 0.965 67 R CA -0.311 55.726 56.100 -0.104 0.000 0.899 67 R CB 1.138 31.355 30.300 -0.137 0.000 1.173 67 R HN 0.211 nan 8.270 nan 0.000 0.456 68 G N 1.260 110.010 108.800 -0.084 0.000 2.513 68 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.219 68 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.219 68 G C 1.047 175.891 174.900 -0.094 0.000 1.160 68 G CA 1.109 46.162 45.100 -0.080 0.000 0.767 68 G HN 0.676 nan 8.290 nan 0.000 0.571 69 Q N -0.505 119.232 119.800 -0.106 0.000 2.084 69 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 69 Q C 2.507 178.447 176.000 -0.100 0.000 0.978 69 Q CA 1.131 56.872 55.803 -0.103 0.000 0.844 69 Q CB -0.175 28.491 28.738 -0.120 0.000 0.898 69 Q HN 0.399 nan 8.270 nan 0.000 0.426 70 L N 0.475 121.606 121.223 -0.152 0.000 2.044 70 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 70 L C 2.287 179.167 176.870 0.016 0.000 1.075 70 L CA 1.336 56.120 54.840 -0.094 0.000 0.747 70 L CB -0.489 41.447 42.059 -0.205 0.000 0.903 70 L HN 0.275 nan 8.230 nan 0.000 0.435 71 I N -0.935 119.603 120.570 -0.053 0.000 2.208 71 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 71 I C 2.668 178.769 176.117 -0.026 0.000 1.097 71 I CA 1.267 62.518 61.300 -0.081 0.000 1.363 71 I CB -0.340 37.662 38.000 0.003 0.000 1.051 71 I HN 0.215 nan 8.210 nan 0.000 0.413 72 R N 0.520 120.989 120.500 -0.052 0.000 2.073 72 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 72 R C 2.249 178.607 176.300 0.096 0.000 1.134 72 R CA 1.587 57.585 56.100 -0.169 0.000 0.952 72 R CB -0.406 29.623 30.300 -0.452 0.000 0.850 72 R HN 0.459 nan 8.270 nan 0.000 0.433 73 E N 0.424 120.698 120.200 0.123 0.000 2.058 73 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 73 E C 2.073 178.769 176.600 0.160 0.000 0.997 73 E CA 1.256 57.803 56.400 0.244 0.000 0.801 73 E CB -0.124 29.841 29.700 0.441 0.000 0.746 73 E HN 0.363 nan 8.360 nan 0.000 0.450 74 A N 0.471 123.229 122.820 -0.103 0.000 1.933 74 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 74 A C 1.850 179.237 177.584 -0.328 0.000 1.175 74 A CA 1.279 52.873 52.037 -0.738 0.000 0.628 74 A CB -0.731 17.521 19.000 -1.247 0.000 0.814 74 A HN 0.263 nan 8.150 nan 0.000 0.444 75 Y N 0.381 120.693 120.300 0.019 0.000 2.224 75 Y HA -0.148 4.402 4.550 0.000 0.000 0.289 75 Y C 2.468 178.516 175.900 0.246 0.000 1.146 75 Y CA 1.524 59.723 58.100 0.165 0.000 1.182 75 Y CB -0.371 38.237 38.460 0.246 0.000 0.983 75 Y HN 0.463 nan 8.280 nan 0.000 0.524 76 E N -0.755 119.688 120.200 0.405 0.000 2.107 76 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 76 E C 0.679 177.452 176.600 0.287 0.000 0.982 76 E CA 0.987 57.584 56.400 0.327 0.000 0.809 76 E CB -0.136 29.739 29.700 0.291 0.000 0.756 76 E HN 0.219 nan 8.360 nan 0.000 0.459 77 D N 0.648 121.202 120.400 0.258 0.000 2.977 77 D HA -0.072 4.568 4.640 -0.000 0.000 0.241 77 D C 0.780 177.167 176.300 0.145 0.000 1.206 77 D CA -0.147 53.968 54.000 0.191 0.000 0.902 77 D CB -0.524 40.437 40.800 0.269 0.000 1.131 77 D HN 0.289 nan 8.370 nan 0.000 0.447 78 Y N -1.093 119.294 120.300 0.144 0.000 2.556 78 Y HA -0.091 4.459 4.550 0.000 0.000 0.290 78 Y C 1.991 177.881 175.900 -0.016 0.000 1.149 78 Y CA 0.402 58.568 58.100 0.109 0.000 1.329 78 Y CB -0.459 38.075 38.460 0.123 0.000 0.975 78 Y HN -0.077 nan 8.280 nan 0.000 0.561 79 R N 0.034 120.271 120.500 -0.439 0.000 2.073 79 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 79 R C 1.641 177.562 176.300 -0.632 0.000 1.134 79 R CA 2.256 58.034 56.100 -0.537 0.000 0.952 79 R CB -0.493 29.381 30.300 -0.710 0.000 0.850 79 R HN 0.614 nan 8.270 nan 0.000 0.433 80 H N -2.631 116.186 119.070 -0.422 0.000 2.418 80 H HA 0.197 4.753 4.556 -0.000 0.000 0.300 80 H C -0.288 174.689 175.328 -0.585 0.000 1.041 80 H CA 0.575 56.200 56.048 -0.706 0.000 1.364 80 H CB 0.270 29.146 29.762 -1.476 0.000 1.439 80 H HN -0.023 nan 8.280 nan 0.000 0.540 81 F N 1.030 120.939 119.950 -0.068 0.000 2.334 81 F HA 0.332 4.859 4.527 0.000 0.000 0.367 81 F C 0.376 176.197 175.800 0.035 0.000 1.115 81 F CA -0.683 57.294 58.000 -0.037 0.000 1.116 81 F CB 1.230 40.168 39.000 -0.103 0.000 1.230 81 F HN -0.085 nan 8.300 nan 0.000 0.484 82 S N 1.201 117.010 115.700 0.181 0.000 2.578 82 S HA 0.334 4.804 4.470 -0.000 0.000 0.283 82 S C 0.902 175.579 174.600 0.128 0.000 1.195 82 S CA -0.607 57.684 58.200 0.152 0.000 1.050 82 S CB 1.165 64.423 63.200 0.096 0.000 1.012 82 S HN 0.541 nan 8.310 nan 0.000 0.511 83 S N 2.849 118.617 115.700 0.113 0.000 2.562 83 S HA -0.023 4.446 4.470 -0.000 0.000 0.221 83 S C 1.752 176.361 174.600 0.016 0.000 0.975 83 S CA 0.226 58.449 58.200 0.038 0.000 0.918 83 S CB -0.210 62.965 63.200 -0.042 0.000 0.772 83 S HN 0.871 nan 8.310 nan 0.000 0.531 84 E N 1.008 121.234 120.200 0.043 0.000 2.169 84 E HA -0.264 4.086 4.350 -0.000 0.000 0.202 84 E C 0.320 176.909 176.600 -0.020 0.000 1.016 84 E CA 1.115 57.531 56.400 0.026 0.000 0.817 84 E CB -0.139 29.583 29.700 0.037 0.000 0.736 84 E HN 0.458 nan 8.360 nan 0.000 0.462 85 C N 1.834 121.114 119.300 -0.033 0.000 3.287 85 C HA 0.409 4.869 4.460 -0.000 0.000 0.260 85 C C -2.073 172.876 174.990 -0.069 0.000 1.133 85 C CA -1.198 57.775 59.018 -0.075 0.000 1.402 85 C CB 1.130 28.856 27.740 -0.023 0.000 1.832 85 C HN 0.255 nan 8.230 nan 0.000 0.509 86 P HA 0.192 nan 4.420 nan 0.000 0.257 86 P C -0.102 177.293 177.300 0.159 0.000 1.241 86 P CA 0.381 63.471 63.100 -0.016 0.000 0.816 86 P CB 0.262 31.899 31.700 -0.105 0.000 1.150 87 F N 0.144 119.865 119.950 -0.381 0.000 2.508 87 F HA 0.468 4.995 4.527 -0.000 0.000 0.325 87 F C 0.635 176.294 175.800 -0.235 0.000 1.090 87 F CA -1.732 56.078 58.000 -0.316 0.000 0.945 87 F CB 1.326 40.050 39.000 -0.461 0.000 1.156 87 F HN -0.352 nan 8.300 nan 0.000 0.463 88 I N 5.018 125.530 120.570 -0.096 0.000 2.441 88 I HA 0.382 4.552 4.170 -0.000 0.000 0.295 88 I C -2.104 174.031 176.117 0.030 0.000 0.994 88 I CA -2.017 59.208 61.300 -0.124 0.000 1.144 88 I CB 2.043 39.813 38.000 -0.384 0.000 1.314 88 I HN 0.362 nan 8.210 nan 0.000 0.445 89 P HA 0.128 nan 4.420 nan 0.000 0.274 89 P C 0.387 177.665 177.300 -0.038 0.000 1.246 89 P CA -0.414 62.679 63.100 -0.011 0.000 0.795 89 P CB 1.039 32.740 31.700 0.001 0.000 1.006 90 R N 0.932 121.419 120.500 -0.022 0.000 2.115 90 R HA -0.252 4.088 4.340 -0.000 0.000 0.239 90 R C 1.903 178.179 176.300 -0.041 0.000 1.133 90 R CA 2.501 58.590 56.100 -0.019 0.000 0.935 90 R CB -0.601 29.708 30.300 0.014 0.000 0.853 90 R HN 0.427 nan 8.270 nan 0.000 0.433 91 E N 0.245 120.428 120.200 -0.028 0.000 2.147 91 E HA -0.228 4.121 4.350 -0.000 0.000 0.199 91 E C 1.834 178.392 176.600 -0.070 0.000 1.005 91 E CA 1.696 58.083 56.400 -0.022 0.000 0.810 91 E CB -0.370 29.333 29.700 0.004 0.000 0.736 91 E HN 0.547 nan 8.360 nan 0.000 0.460 92 A N 0.658 123.386 122.820 -0.153 0.000 1.873 92 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 92 A C 2.492 179.727 177.584 -0.581 0.000 1.186 92 A CA 1.621 53.379 52.037 -0.464 0.000 0.616 92 A CB -1.152 17.612 19.000 -0.394 0.000 0.823 92 A HN 0.360 nan 8.150 nan 0.000 0.442 93 G N -0.673 107.955 108.800 -0.287 0.000 2.448 93 G HA2 -0.115 3.844 3.960 -0.000 0.000 0.218 93 G HA3 -0.115 3.844 3.960 -0.000 0.000 0.218 93 G C 1.409 176.176 174.900 -0.223 0.000 1.135 93 G CA 0.872 45.803 45.100 -0.282 0.000 0.784 93 G HN 0.650 nan 8.290 nan 0.000 0.543 94 E N 0.475 120.598 120.200 -0.128 0.000 2.076 94 E HA 0.067 4.417 4.350 -0.000 0.000 0.190 94 E C 2.786 179.378 176.600 -0.013 0.000 0.979 94 E CA 0.628 56.999 56.400 -0.049 0.000 0.807 94 E CB -0.096 29.596 29.700 -0.014 0.000 0.761 94 E HN 0.371 nan 8.360 nan 0.000 0.454 95 A N 0.878 123.701 122.820 0.004 0.000 2.209 95 A HA -0.104 4.215 4.320 -0.000 0.000 0.212 95 A C 0.594 178.284 177.584 0.176 0.000 1.158 95 A CA 0.367 52.478 52.037 0.122 0.000 0.742 95 A CB -0.335 18.836 19.000 0.284 0.000 0.790 95 A HN 0.280 nan 8.150 nan 0.000 0.472 96 Y N 1.396 121.607 120.300 -0.148 0.000 2.320 96 Y HA 0.467 5.017 4.550 -0.000 0.000 0.334 96 Y C -0.553 175.176 175.900 -0.285 0.000 1.055 96 Y CA -1.562 56.331 58.100 -0.346 0.000 1.143 96 Y CB 1.126 39.156 38.460 -0.718 0.000 1.193 96 Y HN 0.306 nan 8.280 nan 0.000 0.477 97 D N 3.286 123.593 120.400 -0.154 0.000 2.712 97 D HA 0.101 4.741 4.640 -0.000 0.000 0.300 97 D C -1.045 175.295 176.300 0.065 0.000 1.521 97 D CA -0.314 53.709 54.000 0.038 0.000 0.790 97 D CB -1.045 39.802 40.800 0.078 0.000 1.155 97 D HN 0.116 nan 8.370 nan 0.000 0.456 98 F N 1.129 120.943 119.950 -0.226 0.000 2.563 98 F HA 0.344 4.871 4.527 -0.000 0.000 0.363 98 F C 1.078 176.840 175.800 -0.063 0.000 1.123 98 F CA -0.935 56.913 58.000 -0.253 0.000 1.307 98 F CB 0.311 38.966 39.000 -0.575 0.000 1.115 98 F HN -0.081 nan 8.300 nan 0.000 0.592 99 I N 4.299 124.949 120.570 0.134 0.000 2.530 99 I HA 0.257 4.427 4.170 -0.000 0.000 0.297 99 I C -1.813 174.361 176.117 0.095 0.000 1.011 99 I CA -1.872 59.445 61.300 0.029 0.000 1.107 99 I CB 2.445 40.337 38.000 -0.181 0.000 1.285 99 I HN 0.335 nan 8.210 nan 0.000 0.436 100 P HA -0.003 nan 4.420 nan 0.000 0.249 100 P C 1.258 178.748 177.300 0.317 0.000 1.229 100 P CA 0.348 63.554 63.100 0.177 0.000 0.788 100 P CB -0.033 31.778 31.700 0.186 0.000 1.072 101 T N -2.764 111.980 114.554 0.318 0.000 2.833 101 T HA -0.149 4.200 4.350 -0.000 0.000 0.269 101 T C 1.670 176.510 174.700 0.234 0.000 1.054 101 T CA 1.665 63.948 62.100 0.305 0.000 1.135 101 T CB -1.162 67.923 68.868 0.361 0.000 0.869 101 T HN 0.204 nan 8.240 nan 0.000 0.466 102 S N 0.310 116.178 115.700 0.281 0.000 2.660 102 S HA 0.459 4.928 4.470 -0.000 0.000 0.227 102 S C 0.244 174.923 174.600 0.130 0.000 0.948 102 S CA -0.836 57.478 58.200 0.191 0.000 0.948 102 S CB -0.755 62.582 63.200 0.228 0.000 0.779 102 S HN 0.532 nan 8.310 nan 0.000 0.487 103 M N 1.285 120.995 119.600 0.184 0.000 2.644 103 M HA 0.533 5.013 4.480 -0.000 0.000 0.304 103 M C -1.210 175.226 176.300 0.227 0.000 1.215 103 M CA -0.684 54.705 55.300 0.149 0.000 0.871 103 M CB 1.939 34.584 32.600 0.076 0.000 1.740 103 M HN 0.045 nan 8.290 nan 0.000 0.464 104 D N 1.374 121.849 120.400 0.125 0.000 2.326 104 D HA 0.505 5.144 4.640 -0.000 0.000 0.248 104 D C -2.542 173.686 176.300 -0.119 0.000 1.001 104 D CA -1.179 52.851 54.000 0.049 0.000 0.961 104 D CB 1.297 42.162 40.800 0.107 0.000 1.183 104 D HN 0.171 nan 8.370 nan 0.000 0.502 105 P HA 0.117 nan 4.420 nan 0.000 0.269 105 P C -2.073 175.098 177.300 -0.215 0.000 1.209 105 P CA -0.833 62.025 63.100 -0.403 0.000 0.776 105 P CB 0.031 31.301 31.700 -0.716 0.000 0.876 106 P HA 0.071 nan 4.420 nan 0.000 0.257 106 P C 1.229 178.522 177.300 -0.012 0.000 1.241 106 P CA 0.352 63.416 63.100 -0.060 0.000 0.816 106 P CB 0.180 31.873 31.700 -0.012 0.000 1.150 107 E N 0.818 121.035 120.200 0.027 0.000 2.038 107 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 107 E C 2.060 178.776 176.600 0.193 0.000 1.000 107 E CA 1.054 57.525 56.400 0.118 0.000 0.803 107 E CB -0.349 29.422 29.700 0.119 0.000 0.750 107 E HN 0.030 nan 8.360 nan 0.000 0.448 108 Q N 1.137 120.999 119.800 0.102 0.000 2.103 108 Q HA -0.330 4.010 4.340 -0.000 0.000 0.213 108 Q C 2.321 178.378 176.000 0.095 0.000 1.008 108 Q CA 2.450 58.300 55.803 0.079 0.000 0.879 108 Q CB -0.446 28.226 28.738 -0.109 0.000 0.946 108 Q HN 0.303 nan 8.270 nan 0.000 0.413 109 R N -0.368 120.133 120.500 0.001 0.000 2.119 109 R HA -0.210 4.129 4.340 -0.000 0.000 0.246 109 R C 2.313 178.597 176.300 -0.027 0.000 1.146 109 R CA 1.947 58.030 56.100 -0.028 0.000 0.962 109 R CB -0.125 30.143 30.300 -0.054 0.000 0.863 109 R HN 0.360 nan 8.270 nan 0.000 0.442 110 Q N -0.355 119.412 119.800 -0.056 0.000 2.046 110 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 110 Q C 2.103 177.950 176.000 -0.255 0.000 0.975 110 Q CA 1.676 57.351 55.803 -0.212 0.000 0.836 110 Q CB -0.271 28.248 28.738 -0.365 0.000 0.896 110 Q HN 0.361 nan 8.270 nan 0.000 0.428 111 F N 0.599 120.543 119.950 -0.010 0.000 2.161 111 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 111 F C 2.634 178.434 175.800 -0.000 0.000 1.089 111 F CA 1.282 59.284 58.000 0.002 0.000 1.282 111 F CB -0.365 38.647 39.000 0.020 0.000 1.010 111 F HN 0.067 nan 8.300 nan 0.000 0.485 112 R N 0.520 121.105 120.500 0.141 0.000 2.081 112 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 112 R C 2.379 178.696 176.300 0.028 0.000 1.131 112 R CA 1.218 57.360 56.100 0.069 0.000 0.960 112 R CB -0.488 29.821 30.300 0.015 0.000 0.856 112 R HN 0.248 nan 8.270 nan 0.000 0.436 113 A N 1.011 123.827 122.820 -0.006 0.000 1.940 113 A HA -0.181 4.138 4.320 -0.000 0.000 0.219 113 A C 2.015 179.587 177.584 -0.019 0.000 1.176 113 A CA 1.352 53.374 52.037 -0.025 0.000 0.631 113 A CB -0.568 18.401 19.000 -0.052 0.000 0.814 113 A HN 0.401 nan 8.150 nan 0.000 0.446 114 L N -0.356 120.855 121.223 -0.019 0.000 2.027 114 L HA 0.021 4.361 4.340 -0.000 0.000 0.206 114 L C 2.647 179.529 176.870 0.020 0.000 1.074 114 L CA 2.190 57.025 54.840 -0.008 0.000 0.745 114 L CB -0.791 41.258 42.059 -0.017 0.000 0.898 114 L HN 0.311 nan 8.230 nan 0.000 0.433 115 A N -0.382 122.468 122.820 0.049 0.000 1.978 115 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 115 A C 2.161 179.769 177.584 0.040 0.000 1.170 115 A CA 1.920 53.992 52.037 0.058 0.000 0.636 115 A CB -1.061 17.988 19.000 0.080 0.000 0.810 115 A HN 0.644 nan 8.150 nan 0.000 0.448 116 N N -0.368 118.349 118.700 0.028 0.000 2.244 116 N HA -0.159 4.581 4.740 -0.000 0.000 0.183 116 N C 1.850 177.362 175.510 0.005 0.000 1.016 116 N CA 1.732 54.792 53.050 0.018 0.000 0.866 116 N CB -0.303 38.188 38.487 0.008 0.000 0.980 116 N HN 0.646 nan 8.380 nan 0.000 0.430 117 Q N -0.387 119.412 119.800 -0.001 0.000 2.050 117 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 117 Q C 2.117 178.113 176.000 -0.006 0.000 0.980 117 Q CA 2.022 57.819 55.803 -0.010 0.000 0.840 117 Q CB -0.154 28.575 28.738 -0.014 0.000 0.898 117 Q HN 0.493 nan 8.270 nan 0.000 0.424 118 V N -1.820 118.097 119.914 0.005 0.000 2.427 118 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 118 V C 1.953 178.056 176.094 0.016 0.000 1.051 118 V CA 1.625 63.930 62.300 0.007 0.000 1.048 118 V CB -0.616 31.214 31.823 0.013 0.000 0.666 118 V HN 0.326 nan 8.190 nan 0.000 0.456 119 V N -1.845 118.088 119.914 0.031 0.000 3.612 119 V HA 0.604 4.724 4.120 -0.000 0.000 0.268 119 V C 1.635 177.753 176.094 0.040 0.000 1.365 119 V CA 0.272 62.599 62.300 0.045 0.000 1.044 119 V CB -0.953 30.914 31.823 0.072 0.000 0.820 119 V HN 0.596 nan 8.190 nan 0.000 0.444 120 G N 0.239 109.052 108.800 0.022 0.000 2.608 120 G HA2 0.056 4.016 3.960 -0.000 0.000 0.291 120 G HA3 0.056 4.016 3.960 -0.000 0.000 0.291 120 G C 0.749 175.614 174.900 -0.059 0.000 1.306 120 G CA 0.631 45.727 45.100 -0.007 0.000 1.085 120 G HN 0.278 nan 8.290 nan 0.000 0.619 121 M N 0.454 119.936 119.600 -0.197 0.000 2.082 121 M HA -0.122 4.358 4.480 -0.000 0.000 0.258 121 M C 0.173 176.407 176.300 -0.109 0.000 1.071 121 M CA 2.615 57.772 55.300 -0.238 0.000 1.103 121 M CB -1.031 31.362 32.600 -0.345 0.000 1.307 121 M HN 0.318 nan 8.290 nan 0.000 0.409 122 P HA -0.167 nan 4.420 nan 0.000 0.217 122 P C 1.449 178.726 177.300 -0.037 0.000 1.151 122 P CA 1.358 64.425 63.100 -0.055 0.000 0.849 122 P CB -0.098 31.572 31.700 -0.051 0.000 0.787 123 V N -1.011 118.884 119.914 -0.032 0.000 2.515 123 V HA -0.167 3.953 4.120 -0.000 0.000 0.250 123 V C 2.350 178.437 176.094 -0.012 0.000 1.058 123 V CA 1.567 63.855 62.300 -0.020 0.000 1.064 123 V CB -0.984 30.829 31.823 -0.016 0.000 0.675 123 V HN -0.005 nan 8.190 nan 0.000 0.461 124 V N 0.035 119.943 119.914 -0.009 0.000 2.323 124 V HA -0.195 3.925 4.120 -0.000 0.000 0.244 124 V C 2.281 178.379 176.094 0.006 0.000 1.041 124 V CA 1.958 64.263 62.300 0.008 0.000 1.025 124 V CB -0.692 31.148 31.823 0.028 0.000 0.656 124 V HN 0.498 nan 8.190 nan 0.000 0.451 125 D N 0.195 120.591 120.400 -0.007 0.000 2.133 125 D HA -0.216 4.424 4.640 -0.000 0.000 0.195 125 D C 2.125 178.424 176.300 -0.002 0.000 0.997 125 D CA 1.564 55.561 54.000 -0.005 0.000 0.840 125 D CB -0.242 40.547 40.800 -0.018 0.000 0.947 125 D HN 0.414 nan 8.370 nan 0.000 0.452 126 K N 0.350 120.746 120.400 -0.007 0.000 2.057 126 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 126 K C 1.960 178.560 176.600 -0.001 0.000 1.050 126 K CA 0.629 56.912 56.287 -0.007 0.000 0.935 126 K CB -0.097 32.395 32.500 -0.014 0.000 0.715 126 K HN 0.148 nan 8.250 nan 0.000 0.439 127 L N 0.922 122.146 121.223 0.001 0.000 2.599 127 L HA 0.005 4.345 4.340 -0.000 0.000 0.230 127 L C 2.179 179.063 176.870 0.023 0.000 1.141 127 L CA 0.122 54.965 54.840 0.005 0.000 0.877 127 L CB -0.108 41.948 42.059 -0.004 0.000 1.009 127 L HN 0.297 nan 8.230 nan 0.000 0.447 128 E N 1.000 121.217 120.200 0.029 0.000 2.070 128 E HA -0.257 4.093 4.350 -0.000 0.000 0.197 128 E C 1.548 178.183 176.600 0.058 0.000 1.004 128 E CA 1.722 58.151 56.400 0.048 0.000 0.805 128 E CB -0.025 29.700 29.700 0.042 0.000 0.744 128 E HN 0.662 nan 8.360 nan 0.000 0.451 129 N N -0.128 118.598 118.700 0.043 0.000 2.166 129 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 129 N C 1.820 177.362 175.510 0.053 0.000 1.019 129 N CA 0.664 53.740 53.050 0.044 0.000 0.856 129 N CB 0.028 38.533 38.487 0.030 0.000 0.993 129 N HN 0.009 nan 8.380 nan 0.000 0.426 130 R N 0.995 121.522 120.500 0.046 0.000 2.090 130 R HA 0.033 4.373 4.340 -0.000 0.000 0.228 130 R C 2.101 178.457 176.300 0.094 0.000 1.110 130 R CA 0.638 56.770 56.100 0.052 0.000 0.973 130 R CB -0.904 29.412 30.300 0.027 0.000 0.869 130 R HN 0.379 nan 8.270 nan 0.000 0.440 131 I N 1.022 121.654 120.570 0.104 0.000 2.127 131 I HA -0.327 3.843 4.170 -0.000 0.000 0.241 131 I C 2.665 178.949 176.117 0.279 0.000 1.075 131 I CA 1.532 62.947 61.300 0.191 0.000 1.334 131 I CB -0.317 37.780 38.000 0.162 0.000 1.040 131 I HN 0.121 nan 8.210 nan 0.000 0.405 132 Q N 1.126 121.033 119.800 0.178 0.000 2.084 132 Q HA -0.265 4.075 4.340 -0.000 0.000 0.202 132 Q C 2.050 178.119 176.000 0.116 0.000 0.978 132 Q CA 1.897 57.782 55.803 0.137 0.000 0.844 132 Q CB -0.181 28.613 28.738 0.093 0.000 0.898 132 Q HN 0.459 nan 8.270 nan 0.000 0.426 133 E N -0.607 119.656 120.200 0.105 0.000 2.031 133 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 133 E C 1.865 178.527 176.600 0.103 0.000 0.994 133 E CA 1.356 57.805 56.400 0.082 0.000 0.800 133 E CB -0.225 29.513 29.700 0.065 0.000 0.752 133 E HN 0.420 nan 8.360 nan 0.000 0.447 134 L N 0.775 122.090 121.223 0.153 0.000 2.083 134 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 134 L C 2.177 179.165 176.870 0.196 0.000 1.083 134 L CA 2.111 57.065 54.840 0.189 0.000 0.752 134 L CB -0.609 41.583 42.059 0.221 0.000 0.899 134 L HN 0.189 nan 8.230 nan 0.000 0.433 135 A N -1.404 121.524 122.820 0.180 0.000 1.872 135 A HA -0.189 4.131 4.320 -0.000 0.000 0.214 135 A C 2.385 179.994 177.584 0.043 0.000 1.187 135 A CA 1.564 53.580 52.037 -0.036 0.000 0.614 135 A CB -1.405 17.491 19.000 -0.173 0.000 0.826 135 A HN 0.591 nan 8.150 nan 0.000 0.442 136 C N -0.865 118.458 119.300 0.038 0.000 2.413 136 C HA -0.099 4.361 4.460 -0.000 0.000 0.276 136 C C 3.346 178.342 174.990 0.012 0.000 1.236 136 C CA 1.506 60.529 59.018 0.008 0.000 1.735 136 C CB -1.198 26.550 27.740 0.013 0.000 2.031 136 C HN 0.706 nan 8.230 nan 0.000 0.474 137 S N 0.161 115.885 115.700 0.039 0.000 2.368 137 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 137 S C 1.773 176.402 174.600 0.049 0.000 1.030 137 S CA 1.383 59.606 58.200 0.039 0.000 0.999 137 S CB -0.321 62.908 63.200 0.049 0.000 0.844 137 S HN 0.406 nan 8.310 nan 0.000 0.459 138 L N 1.266 122.541 121.223 0.087 0.000 2.056 138 L HA 0.177 4.517 4.340 -0.000 0.000 0.207 138 L C 2.205 179.143 176.870 0.114 0.000 1.078 138 L CA 1.483 56.403 54.840 0.133 0.000 0.749 138 L CB -0.842 41.331 42.059 0.190 0.000 0.901 138 L HN 0.397 nan 8.230 nan 0.000 0.433 139 I N -0.835 119.767 120.570 0.053 0.000 2.113 139 I HA -0.281 3.889 4.170 -0.000 0.000 0.238 139 I C 2.473 178.482 176.117 -0.180 0.000 1.070 139 I CA 1.332 62.528 61.300 -0.174 0.000 1.332 139 I CB -0.291 37.533 38.000 -0.293 0.000 1.044 139 I HN 0.236 nan 8.210 nan 0.000 0.402 140 E N 0.653 120.789 120.200 -0.106 0.000 2.130 140 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 140 E C 2.224 178.804 176.600 -0.032 0.000 0.998 140 E CA 1.809 58.163 56.400 -0.078 0.000 0.806 140 E CB -0.317 29.357 29.700 -0.044 0.000 0.738 140 E HN 0.333 nan 8.360 nan 0.000 0.459 141 S N -1.070 114.628 115.700 -0.003 0.000 2.399 141 S HA -0.061 4.409 4.470 -0.000 0.000 0.231 141 S C 1.856 176.487 174.600 0.052 0.000 1.022 141 S CA 1.043 59.259 58.200 0.028 0.000 0.983 141 S CB -0.194 63.031 63.200 0.042 0.000 0.803 141 S HN 0.366 nan 8.310 nan 0.000 0.480 142 L N 0.637 121.893 121.223 0.055 0.000 2.102 142 L HA 0.094 4.434 4.340 -0.000 0.000 0.202 142 L C 2.809 179.839 176.870 0.267 0.000 1.076 142 L CA 1.034 55.966 54.840 0.155 0.000 0.761 142 L CB -0.668 41.491 42.059 0.167 0.000 0.921 142 L HN 0.310 nan 8.230 nan 0.000 0.444 143 R N 0.754 121.327 120.500 0.121 0.000 2.224 143 R HA -0.239 4.101 4.340 -0.000 0.000 0.251 143 R C -0.587 175.903 176.300 0.316 0.000 1.123 143 R CA 2.797 59.004 56.100 0.179 0.000 0.944 143 R CB -1.464 28.793 30.300 -0.071 0.000 0.910 143 R HN 0.263 nan 8.270 nan 0.000 0.440 144 P HA -0.099 nan 4.420 nan 0.000 0.229 144 P C 0.501 177.808 177.300 0.012 0.000 1.160 144 P CA 1.284 64.430 63.100 0.076 0.000 0.777 144 P CB -0.022 31.700 31.700 0.036 0.000 0.814 145 Q N -0.471 119.333 119.800 0.006 0.000 2.230 145 Q HA 0.053 4.393 4.340 -0.000 0.000 0.202 145 Q C 1.642 177.435 176.000 -0.344 0.000 0.963 145 Q CA 1.055 56.789 55.803 -0.114 0.000 0.866 145 Q CB -0.587 28.112 28.738 -0.065 0.000 0.931 145 Q HN 0.277 nan 8.270 nan 0.000 0.452 146 G N 1.361 109.760 108.800 -0.668 0.000 2.168 146 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.263 146 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.263 146 G C -0.103 173.877 174.900 -1.533 0.000 0.977 146 G CA 0.739 45.067 45.100 -1.287 0.000 0.659 146 G HN 0.455 nan 8.290 nan 0.000 0.533 147 Q N -1.456 117.561 119.800 -1.306 0.000 2.518 147 Q HA 0.520 4.860 4.340 -0.000 0.000 0.254 147 Q C -0.210 175.687 176.000 -0.173 0.000 0.962 147 Q CA -0.620 54.775 55.803 -0.680 0.000 0.982 147 Q CB 0.600 29.145 28.738 -0.323 0.000 1.516 147 Q HN 1.110 nan 8.270 nan 0.000 0.426 148 C N -0.052 119.332 119.300 0.141 0.000 3.277 148 C HA 0.683 5.143 4.460 -0.000 0.000 0.367 148 C C -0.091 175.026 174.990 0.212 0.000 1.949 148 C CA -0.641 58.520 59.018 0.238 0.000 1.428 148 C CB 1.025 29.017 27.740 0.420 0.000 2.409 148 C HN 1.094 nan 8.230 nan 0.000 0.460 149 N N -0.446 118.372 118.700 0.198 0.000 2.908 149 N HA 0.228 4.968 4.740 -0.000 0.000 0.316 149 N C 0.488 176.128 175.510 0.216 0.000 1.619 149 N CA -0.410 52.742 53.050 0.170 0.000 1.045 149 N CB -0.076 38.475 38.487 0.108 0.000 1.357 149 N HN 0.638 nan 8.380 nan 0.000 0.501 150 F N 1.049 121.063 119.950 0.108 0.000 2.127 150 F HA -0.405 4.122 4.527 -0.000 0.000 0.299 150 F C 2.556 178.397 175.800 0.068 0.000 1.068 150 F CA 2.459 60.503 58.000 0.074 0.000 1.263 150 F CB -0.312 38.643 39.000 -0.075 0.000 1.016 150 F HN 0.363 nan 8.300 nan 0.000 0.491 151 T N -1.713 112.957 114.554 0.194 0.000 2.701 151 T HA -0.255 4.095 4.350 -0.000 0.000 0.263 151 T C 1.798 176.501 174.700 0.004 0.000 1.040 151 T CA 1.417 63.568 62.100 0.085 0.000 1.147 151 T CB -0.856 68.050 68.868 0.062 0.000 0.865 151 T HN 0.697 nan 8.240 nan 0.000 0.426 152 E N 1.230 121.446 120.200 0.028 0.000 2.076 152 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 152 E C 1.616 178.218 176.600 0.003 0.000 0.979 152 E CA 1.191 57.599 56.400 0.014 0.000 0.807 152 E CB -0.367 29.351 29.700 0.029 0.000 0.761 152 E HN 0.409 nan 8.360 nan 0.000 0.454 153 D N -0.703 119.713 120.400 0.027 0.000 2.269 153 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 153 D C 1.008 177.327 176.300 0.030 0.000 0.963 153 D CA 1.093 55.126 54.000 0.054 0.000 0.864 153 D CB 0.087 40.967 40.800 0.134 0.000 0.936 153 D HN 0.346 nan 8.370 nan 0.000 0.505 154 Y N -0.483 119.643 120.300 -0.289 0.000 3.006 154 Y HA 0.368 4.917 4.550 -0.000 0.000 0.236 154 Y C 1.924 177.597 175.900 -0.379 0.000 1.088 154 Y CA 0.523 58.387 58.100 -0.393 0.000 1.307 154 Y CB -0.172 37.873 38.460 -0.693 0.000 1.445 154 Y HN -0.146 nan 8.280 nan 0.000 0.433 155 A N 0.864 123.401 122.820 -0.472 0.000 1.972 155 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 155 A C 1.810 179.332 177.584 -0.103 0.000 1.169 155 A CA 2.046 53.974 52.037 -0.181 0.000 0.635 155 A CB -0.542 18.462 19.000 0.005 0.000 0.810 155 A HN 0.669 nan 8.150 nan 0.000 0.446 156 E N -0.407 119.729 120.200 -0.106 0.000 2.016 156 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 156 E C -0.502 176.046 176.600 -0.086 0.000 0.985 156 E CA 1.123 57.479 56.400 -0.073 0.000 0.802 156 E CB -0.737 28.938 29.700 -0.043 0.000 0.762 156 E HN 0.500 nan 8.360 nan 0.000 0.448 157 P HA -0.195 nan 4.420 nan 0.000 0.215 157 P C 1.450 178.688 177.300 -0.104 0.000 1.157 157 P CA 1.132 64.182 63.100 -0.083 0.000 0.863 157 P CB -0.165 31.497 31.700 -0.065 0.000 0.787 158 F N 2.727 122.452 119.950 -0.375 0.000 2.008 158 F HA -0.164 4.363 4.527 -0.000 0.000 0.297 158 F C -0.860 174.828 175.800 -0.185 0.000 1.156 158 F CA 2.279 60.034 58.000 -0.408 0.000 1.191 158 F CB -2.167 36.313 39.000 -0.868 0.000 0.955 158 F HN -0.021 nan 8.300 nan 0.000 0.497 159 P HA -0.100 nan 4.420 nan 0.000 0.218 159 P C 2.047 179.220 177.300 -0.212 0.000 1.149 159 P CA 1.910 64.753 63.100 -0.428 0.000 0.817 159 P CB -0.075 31.515 31.700 -0.183 0.000 0.785 160 I N -0.932 119.559 120.570 -0.132 0.000 2.233 160 I HA -0.168 4.002 4.170 -0.000 0.000 0.243 160 I C 2.486 178.606 176.117 0.005 0.000 1.093 160 I CA 1.245 62.529 61.300 -0.026 0.000 1.380 160 I CB -0.383 37.604 38.000 -0.022 0.000 1.067 160 I HN -0.178 nan 8.210 nan 0.000 0.413 161 R N 0.672 121.145 120.500 -0.045 0.000 2.120 161 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 161 R C 2.238 178.507 176.300 -0.050 0.000 1.123 161 R CA 1.300 57.381 56.100 -0.031 0.000 0.975 161 R CB -0.330 29.954 30.300 -0.026 0.000 0.866 161 R HN 0.372 nan 8.270 nan 0.000 0.446 162 I N -0.287 120.219 120.570 -0.107 0.000 2.493 162 I HA -0.234 3.936 4.170 -0.000 0.000 0.254 162 I C 1.992 178.084 176.117 -0.042 0.000 1.160 162 I CA 0.937 62.173 61.300 -0.106 0.000 1.445 162 I CB -0.124 37.750 38.000 -0.211 0.000 1.086 162 I HN 0.081 nan 8.210 nan 0.000 0.433 163 F N 0.980 120.858 119.950 -0.120 0.000 2.234 163 F HA -0.130 4.397 4.527 -0.000 0.000 0.296 163 F C 2.414 178.183 175.800 -0.052 0.000 1.089 163 F CA 1.239 59.190 58.000 -0.082 0.000 1.343 163 F CB -0.019 38.933 39.000 -0.081 0.000 1.040 163 F HN -0.127 nan 8.300 nan 0.000 0.498 164 M N 0.082 119.643 119.600 -0.065 0.000 2.108 164 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 164 M C 2.331 178.526 176.300 -0.174 0.000 1.066 164 M CA 1.366 56.601 55.300 -0.110 0.000 1.107 164 M CB -1.604 31.001 32.600 0.010 0.000 1.356 164 M HN 0.396 nan 8.290 nan 0.000 0.406 165 L N 0.807 121.951 121.223 -0.131 0.000 1.989 165 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 165 L C 2.324 179.100 176.870 -0.157 0.000 1.071 165 L CA 1.673 56.446 54.840 -0.111 0.000 0.749 165 L CB -1.025 40.989 42.059 -0.074 0.000 0.890 165 L HN 0.224 nan 8.230 nan 0.000 0.431 166 L N -0.165 120.924 121.223 -0.223 0.000 2.083 166 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 166 L C 2.261 178.945 176.870 -0.311 0.000 1.083 166 L CA 2.069 56.759 54.840 -0.249 0.000 0.752 166 L CB -0.744 41.157 42.059 -0.263 0.000 0.899 166 L HN 0.350 nan 8.230 nan 0.000 0.433 167 A N -1.406 121.136 122.820 -0.463 0.000 2.267 167 A HA 0.423 4.742 4.320 -0.000 0.000 0.213 167 A C 1.487 178.949 177.584 -0.203 0.000 1.192 167 A CA 0.458 52.252 52.037 -0.404 0.000 0.851 167 A CB -0.603 18.012 19.000 -0.641 0.000 0.881 167 A HN 0.737 nan 8.150 nan 0.000 0.494 168 G N -0.292 108.408 108.800 -0.166 0.000 2.298 168 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.287 168 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.287 168 G C -0.232 174.635 174.900 -0.057 0.000 1.075 168 G CA 0.539 45.583 45.100 -0.093 0.000 0.960 168 G HN 0.478 nan 8.290 nan 0.000 0.502 169 L N -0.280 120.915 121.223 -0.046 0.000 2.341 169 L HA 0.593 4.932 4.340 -0.000 0.000 0.267 169 L C -1.996 174.895 176.870 0.036 0.000 1.009 169 L CA -2.641 52.217 54.840 0.029 0.000 0.819 169 L CB 2.207 44.325 42.059 0.098 0.000 1.323 169 L HN -0.064 nan 8.230 nan 0.000 0.425 170 P HA 0.123 nan 4.420 nan 0.000 0.276 170 P C 0.026 177.361 177.300 0.057 0.000 1.235 170 P CA -0.215 62.916 63.100 0.052 0.000 0.772 170 P CB 0.672 32.407 31.700 0.058 0.000 0.871 171 E N 1.568 121.789 120.200 0.036 0.000 2.209 171 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 171 E C 0.993 177.618 176.600 0.041 0.000 0.993 171 E CA 1.339 57.759 56.400 0.034 0.000 0.819 171 E CB -0.042 29.671 29.700 0.021 0.000 0.745 171 E HN 0.573 nan 8.360 nan 0.000 0.477 172 E N 0.792 121.019 120.200 0.044 0.000 2.265 172 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 172 E C 1.194 177.833 176.600 0.066 0.000 0.996 172 E CA 0.900 57.327 56.400 0.046 0.000 0.832 172 E CB 0.015 29.738 29.700 0.038 0.000 0.756 172 E HN 0.211 nan 8.360 nan 0.000 0.491 173 D N -0.240 120.214 120.400 0.089 0.000 2.348 173 D HA 0.049 4.689 4.640 -0.000 0.000 0.211 173 D C 1.680 178.025 176.300 0.074 0.000 0.998 173 D CA 0.148 54.218 54.000 0.118 0.000 0.873 173 D CB 0.073 40.999 40.800 0.210 0.000 0.925 173 D HN 0.224 nan 8.370 nan 0.000 0.524 174 I N 1.943 122.546 120.570 0.054 0.000 2.087 174 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 174 I C -0.545 175.590 176.117 0.030 0.000 1.054 174 I CA 1.455 62.773 61.300 0.030 0.000 1.311 174 I CB -1.647 36.368 38.000 0.026 0.000 1.024 174 I HN 0.022 nan 8.210 nan 0.000 0.402 175 P HA -0.227 nan 4.420 nan 0.000 0.216 175 P C 1.443 178.784 177.300 0.069 0.000 1.153 175 P CA 1.867 64.999 63.100 0.053 0.000 0.858 175 P CB -0.155 31.577 31.700 0.053 0.000 0.789 176 H N -0.553 118.514 119.070 -0.004 0.000 2.299 176 H HA 0.011 4.567 4.556 -0.000 0.000 0.302 176 H C 1.983 177.297 175.328 -0.023 0.000 1.078 176 H CA 1.415 57.459 56.048 -0.007 0.000 1.323 176 H CB -0.966 28.785 29.762 -0.019 0.000 1.381 176 H HN -0.074 nan 8.280 nan 0.000 0.498 177 L N -0.065 121.070 121.223 -0.147 0.000 2.046 177 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 177 L C 2.481 179.249 176.870 -0.171 0.000 1.077 177 L CA 1.439 56.130 54.840 -0.247 0.000 0.747 177 L CB -0.351 41.556 42.059 -0.254 0.000 0.896 177 L HN 0.195 nan 8.230 nan 0.000 0.432 178 K N -0.133 120.214 120.400 -0.088 0.000 2.097 178 K HA -0.254 4.066 4.320 -0.000 0.000 0.206 178 K C 2.048 178.624 176.600 -0.040 0.000 1.049 178 K CA 1.637 57.892 56.287 -0.054 0.000 0.933 178 K CB -0.614 31.876 32.500 -0.018 0.000 0.717 178 K HN 0.262 nan 8.250 nan 0.000 0.442 179 Y N 0.535 120.750 120.300 -0.141 0.000 2.163 179 Y HA -0.098 4.452 4.550 -0.000 0.000 0.288 179 Y C 1.687 177.500 175.900 -0.145 0.000 1.136 179 Y CA 1.714 59.738 58.100 -0.127 0.000 1.147 179 Y CB -0.185 38.200 38.460 -0.125 0.000 0.987 179 Y HN -0.005 nan 8.280 nan 0.000 0.509 180 L N -0.706 120.384 121.223 -0.222 0.000 2.042 180 L HA -0.259 4.080 4.340 -0.000 0.000 0.210 180 L C 2.296 179.013 176.870 -0.254 0.000 1.076 180 L CA 1.935 56.606 54.840 -0.280 0.000 0.749 180 L CB -0.929 40.977 42.059 -0.255 0.000 0.893 180 L HN 0.254 nan 8.230 nan 0.000 0.432 181 T N -1.229 113.209 114.554 -0.194 0.000 2.777 181 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 181 T C 1.413 176.057 174.700 -0.093 0.000 1.040 181 T CA 1.374 63.399 62.100 -0.124 0.000 1.141 181 T CB -0.227 68.573 68.868 -0.112 0.000 0.868 181 T HN 0.278 nan 8.240 nan 0.000 0.444 182 D N 1.042 121.359 120.400 -0.138 0.000 2.144 182 D HA -0.079 4.561 4.640 -0.000 0.000 0.199 182 D C 2.464 178.683 176.300 -0.134 0.000 0.984 182 D CA 0.785 54.716 54.000 -0.115 0.000 0.834 182 D CB -0.215 40.510 40.800 -0.125 0.000 0.955 182 D HN 0.257 nan 8.370 nan 0.000 0.465 183 Q N -0.408 119.231 119.800 -0.269 0.000 2.124 183 Q HA -0.067 4.272 4.340 -0.000 0.000 0.202 183 Q C 2.266 178.244 176.000 -0.037 0.000 0.977 183 Q CA 0.883 56.547 55.803 -0.231 0.000 0.850 183 Q CB -0.254 28.266 28.738 -0.363 0.000 0.901 183 Q HN 0.458 nan 8.270 nan 0.000 0.429 184 M N -0.107 119.510 119.600 0.027 0.000 2.156 184 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 184 M C 2.199 178.747 176.300 0.412 0.000 1.067 184 M CA 1.866 57.341 55.300 0.292 0.000 1.131 184 M CB -0.293 32.457 32.600 0.250 0.000 1.368 184 M HN 0.252 nan 8.290 nan 0.000 0.416 185 T N -1.948 112.768 114.554 0.270 0.000 3.031 185 T HA 0.114 4.464 4.350 -0.000 0.000 0.254 185 T C 1.071 175.919 174.700 0.245 0.000 1.060 185 T CA 0.152 62.409 62.100 0.262 0.000 1.135 185 T CB 0.033 69.013 68.868 0.187 0.000 0.896 185 T HN 0.287 nan 8.240 nan 0.000 0.472 186 R N 2.086 122.689 120.500 0.172 0.000 2.653 186 R HA 0.322 4.662 4.340 -0.000 0.000 0.269 186 R C -2.984 173.362 176.300 0.076 0.000 1.603 186 R CA -1.796 54.408 56.100 0.173 0.000 1.671 186 R CB 1.007 31.390 30.300 0.138 0.000 1.300 186 R HN 0.318 nan 8.270 nan 0.000 0.668 187 P HA -0.119 nan 4.420 nan 0.000 0.261 187 P C -0.165 177.098 177.300 -0.062 0.000 1.173 187 P CA 0.488 63.553 63.100 -0.059 0.000 0.760 187 P CB 0.957 32.578 31.700 -0.132 0.000 0.783 188 D N 2.453 122.821 120.400 -0.054 0.000 2.262 188 D HA 0.017 4.657 4.640 -0.000 0.000 0.212 188 D C 1.576 177.867 176.300 -0.016 0.000 0.964 188 D CA 1.741 55.729 54.000 -0.021 0.000 0.875 188 D CB -0.019 40.772 40.800 -0.015 0.000 0.996 188 D HN 0.583 nan 8.370 nan 0.000 0.497 189 G N -0.343 108.440 108.800 -0.027 0.000 2.231 189 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.206 189 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.206 189 G C 1.254 176.157 174.900 0.005 0.000 0.996 189 G CA 0.983 46.071 45.100 -0.020 0.000 0.645 189 G HN 0.439 nan 8.290 nan 0.000 0.498 190 S N 0.002 115.717 115.700 0.026 0.000 2.423 190 S HA 0.289 4.759 4.470 -0.000 0.000 0.231 190 S C 1.114 175.746 174.600 0.054 0.000 1.014 190 S CA 1.629 59.867 58.200 0.062 0.000 0.965 190 S CB -0.370 62.913 63.200 0.139 0.000 0.785 190 S HN 1.627 nan 8.310 nan 0.000 0.495 191 M N 0.397 120.011 119.600 0.024 0.000 2.413 191 M HA 0.503 4.983 4.480 -0.000 0.000 0.287 191 M C -0.459 175.837 176.300 -0.007 0.000 1.186 191 M CA -0.845 54.462 55.300 0.013 0.000 0.927 191 M CB 1.618 34.233 32.600 0.025 0.000 1.715 191 M HN 0.054 nan 8.290 nan 0.000 0.478 192 T N -0.844 113.715 114.554 0.007 0.000 2.701 192 T HA 0.255 4.605 4.350 -0.000 0.000 0.303 192 T C 0.497 175.231 174.700 0.057 0.000 1.030 192 T CA -0.035 62.084 62.100 0.032 0.000 1.010 192 T CB 0.711 69.601 68.868 0.037 0.000 1.007 192 T HN 0.659 nan 8.240 nan 0.000 0.532 193 F N 1.150 121.072 119.950 -0.046 0.000 2.113 193 F HA 0.141 4.668 4.527 -0.000 0.000 0.297 193 F C 2.651 178.411 175.800 -0.067 0.000 1.103 193 F CA 1.631 59.602 58.000 -0.050 0.000 1.248 193 F CB -0.938 38.045 39.000 -0.028 0.000 0.999 193 F HN 0.743 nan 8.300 nan 0.000 0.475 194 A N 0.322 123.209 122.820 0.112 0.000 1.877 194 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 194 A C 2.133 179.669 177.584 -0.080 0.000 1.186 194 A CA 1.797 53.843 52.037 0.014 0.000 0.620 194 A CB -0.776 18.262 19.000 0.062 0.000 0.822 194 A HN 0.468 nan 8.150 nan 0.000 0.443 195 E N 0.201 120.371 120.200 -0.050 0.000 2.058 195 E HA -0.194 4.155 4.350 -0.000 0.000 0.194 195 E C 2.335 178.865 176.600 -0.117 0.000 0.997 195 E CA 1.329 57.700 56.400 -0.049 0.000 0.801 195 E CB -0.732 28.958 29.700 -0.017 0.000 0.746 195 E HN 0.594 nan 8.360 nan 0.000 0.450 196 A N 1.915 124.616 122.820 -0.199 0.000 1.902 196 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 196 A C 2.186 179.541 177.584 -0.382 0.000 1.181 196 A CA 1.889 53.759 52.037 -0.279 0.000 0.623 196 A CB -0.475 18.327 19.000 -0.329 0.000 0.818 196 A HN 0.170 nan 8.150 nan 0.000 0.443 197 K N -0.615 119.445 120.400 -0.567 0.000 2.057 197 K HA -0.183 4.136 4.320 -0.000 0.000 0.207 197 K C 1.823 178.138 176.600 -0.475 0.000 1.049 197 K CA 1.520 57.407 56.287 -0.667 0.000 0.931 197 K CB -0.110 31.945 32.500 -0.741 0.000 0.714 197 K HN 0.373 nan 8.250 nan 0.000 0.440 198 E N 0.445 120.514 120.200 -0.219 0.000 2.051 198 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 198 E C 1.957 178.587 176.600 0.049 0.000 0.991 198 E CA 1.297 57.685 56.400 -0.020 0.000 0.799 198 E CB -0.350 29.363 29.700 0.022 0.000 0.748 198 E HN 0.430 nan 8.360 nan 0.000 0.449 199 A N 1.253 124.080 122.820 0.013 0.000 1.898 199 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 199 A C 2.257 179.917 177.584 0.127 0.000 1.181 199 A CA 1.274 53.362 52.037 0.085 0.000 0.620 199 A CB -0.610 18.433 19.000 0.071 0.000 0.819 199 A HN 0.247 nan 8.150 nan 0.000 0.442 200 L N -1.477 119.754 121.223 0.012 0.000 2.083 200 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 200 L C 2.189 179.218 176.870 0.265 0.000 1.083 200 L CA 1.883 56.752 54.840 0.049 0.000 0.752 200 L CB -0.771 41.221 42.059 -0.112 0.000 0.899 200 L HN 0.453 nan 8.230 nan 0.000 0.433 201 Y N -0.243 120.117 120.300 0.099 0.000 2.263 201 Y HA -0.118 4.431 4.550 -0.000 0.000 0.292 201 Y C 2.432 178.392 175.900 0.101 0.000 1.130 201 Y CA 0.783 58.941 58.100 0.096 0.000 1.179 201 Y CB -0.982 37.515 38.460 0.062 0.000 0.998 201 Y HN 0.269 nan 8.280 nan 0.000 0.532 202 D N -1.128 119.428 120.400 0.259 0.000 2.178 202 D HA -0.213 4.427 4.640 -0.000 0.000 0.201 202 D C 1.978 178.372 176.300 0.156 0.000 0.980 202 D CA 1.084 55.186 54.000 0.170 0.000 0.842 202 D CB -0.589 40.295 40.800 0.141 0.000 0.948 202 D HN 0.363 nan 8.370 nan 0.000 0.472 203 Y N 1.209 121.578 120.300 0.116 0.000 2.060 203 Y HA -0.164 4.385 4.550 -0.000 0.000 0.276 203 Y C 2.208 178.158 175.900 0.084 0.000 1.127 203 Y CA 1.514 59.678 58.100 0.106 0.000 1.104 203 Y CB -0.519 38.028 38.460 0.145 0.000 0.983 203 Y HN -0.113 nan 8.280 nan 0.000 0.483 204 L N -0.211 121.118 121.223 0.177 0.000 2.083 204 L HA -0.242 4.098 4.340 -0.000 0.000 0.209 204 L C 2.441 179.290 176.870 -0.036 0.000 1.083 204 L CA 1.405 56.287 54.840 0.069 0.000 0.752 204 L CB -0.674 41.509 42.059 0.206 0.000 0.899 204 L HN 0.345 nan 8.230 nan 0.000 0.433 205 I N 0.030 120.594 120.570 -0.009 0.000 2.087 205 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 205 I C -0.291 175.790 176.117 -0.059 0.000 1.054 205 I CA 1.854 63.132 61.300 -0.036 0.000 1.311 205 I CB -1.673 36.316 38.000 -0.019 0.000 1.024 205 I HN 0.228 nan 8.210 nan 0.000 0.402 206 P HA -0.140 nan 4.420 nan 0.000 0.218 206 P C 1.769 179.010 177.300 -0.098 0.000 1.148 206 P CA 1.548 64.597 63.100 -0.085 0.000 0.822 206 P CB -0.065 31.573 31.700 -0.103 0.000 0.784 207 I N -1.354 119.136 120.570 -0.133 0.000 2.233 207 I HA -0.190 3.980 4.170 -0.000 0.000 0.243 207 I C 2.256 178.330 176.117 -0.072 0.000 1.093 207 I CA 1.350 62.577 61.300 -0.121 0.000 1.380 207 I CB -0.622 37.277 38.000 -0.168 0.000 1.067 207 I HN -0.146 nan 8.210 nan 0.000 0.413 208 I N 0.713 121.249 120.570 -0.057 0.000 2.286 208 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 208 I C 2.480 178.574 176.117 -0.038 0.000 1.115 208 I CA 1.335 62.612 61.300 -0.038 0.000 1.392 208 I CB -0.461 37.520 38.000 -0.032 0.000 1.065 208 I HN 0.236 nan 8.210 nan 0.000 0.418 209 E N 0.532 120.706 120.200 -0.042 0.000 2.048 209 E HA -0.358 3.992 4.350 -0.000 0.000 0.202 209 E C 2.225 178.804 176.600 -0.034 0.000 1.021 209 E CA 1.841 58.219 56.400 -0.036 0.000 0.825 209 E CB -0.199 29.479 29.700 -0.038 0.000 0.756 209 E HN 0.508 nan 8.360 nan 0.000 0.454 210 Q N 0.029 119.805 119.800 -0.040 0.000 2.096 210 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 210 Q C 1.966 177.946 176.000 -0.034 0.000 0.982 210 Q CA 1.413 57.193 55.803 -0.039 0.000 0.850 210 Q CB 0.115 28.824 28.738 -0.048 0.000 0.901 210 Q HN -0.029 nan 8.270 nan 0.000 0.422 211 R N -0.396 120.083 120.500 -0.034 0.000 2.275 211 R HA 0.048 4.387 4.340 -0.000 0.000 0.199 211 R C 1.810 178.096 176.300 -0.024 0.000 0.989 211 R CA 0.623 56.706 56.100 -0.030 0.000 1.016 211 R CB 0.070 30.352 30.300 -0.030 0.000 0.918 211 R HN 0.246 nan 8.270 nan 0.000 0.473 212 R N -0.196 120.290 120.500 -0.024 0.000 2.080 212 R HA 0.028 4.368 4.340 -0.000 0.000 0.222 212 R C 1.891 178.180 176.300 -0.019 0.000 1.107 212 R CA 0.990 57.079 56.100 -0.019 0.000 0.980 212 R CB -0.185 30.104 30.300 -0.018 0.000 0.879 212 R HN 0.266 nan 8.270 nan 0.000 0.439 213 Q N 1.047 120.835 119.800 -0.021 0.000 1.967 213 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 213 Q C 0.996 176.985 176.000 -0.019 0.000 0.985 213 Q CA 1.803 57.594 55.803 -0.019 0.000 0.839 213 Q CB -0.026 28.700 28.738 -0.020 0.000 0.906 213 Q HN 0.226 nan 8.270 nan 0.000 0.423 214 K N 1.692 122.079 120.400 -0.022 0.000 2.562 214 K HA 0.367 4.687 4.320 -0.000 0.000 0.206 214 K C -2.842 173.744 176.600 -0.023 0.000 1.033 214 K CA -1.783 54.491 56.287 -0.022 0.000 1.029 214 K CB 0.303 32.789 32.500 -0.022 0.000 1.393 214 K HN 0.021 nan 8.250 nan 0.000 0.539 215 P HA 0.264 nan 4.420 nan 0.000 0.268 215 P C 0.525 177.810 177.300 -0.025 0.000 1.205 215 P CA 0.144 63.230 63.100 -0.023 0.000 0.771 215 P CB 1.610 33.297 31.700 -0.021 0.000 0.858 216 G N 0.498 109.282 108.800 -0.028 0.000 2.990 216 G HA2 0.464 4.423 3.960 -0.000 0.000 0.208 216 G HA3 0.464 4.423 3.960 -0.000 0.000 0.208 216 G C 0.324 175.206 174.900 -0.031 0.000 1.334 216 G CA -0.285 44.797 45.100 -0.030 0.000 1.024 216 G HN 0.405 nan 8.290 nan 0.000 0.574 217 T N -1.071 113.462 114.554 -0.034 0.000 3.023 217 T HA 0.176 4.526 4.350 -0.000 0.000 0.253 217 T C 0.671 175.344 174.700 -0.045 0.000 1.038 217 T CA 0.370 62.449 62.100 -0.036 0.000 0.962 217 T CB -0.156 68.692 68.868 -0.033 0.000 1.018 217 T HN 0.627 nan 8.240 nan 0.000 0.521 218 D N 1.528 121.897 120.400 -0.053 0.000 2.369 218 D HA 0.260 4.900 4.640 -0.000 0.000 0.241 218 D C 1.474 177.732 176.300 -0.070 0.000 1.271 218 D CA -0.006 53.949 54.000 -0.074 0.000 0.942 218 D CB 1.099 41.849 40.800 -0.083 0.000 1.129 218 D HN 0.109 nan 8.370 nan 0.000 0.476 219 A N 0.446 123.209 122.820 -0.096 0.000 1.898 219 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 219 A C 2.461 180.020 177.584 -0.041 0.000 1.181 219 A CA 0.928 52.923 52.037 -0.070 0.000 0.620 219 A CB -0.726 18.216 19.000 -0.096 0.000 0.819 219 A HN 0.643 nan 8.150 nan 0.000 0.442 220 I N -0.167 120.374 120.570 -0.049 0.000 2.226 220 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 220 I C 2.648 178.753 176.117 -0.019 0.000 1.100 220 I CA 1.474 62.762 61.300 -0.021 0.000 1.374 220 I CB -0.454 37.535 38.000 -0.018 0.000 1.057 220 I HN 0.220 nan 8.210 nan 0.000 0.413 221 S N 1.025 116.708 115.700 -0.029 0.000 2.356 221 S HA -0.101 4.369 4.470 -0.000 0.000 0.223 221 S C 2.024 176.611 174.600 -0.021 0.000 1.032 221 S CA 1.153 59.338 58.200 -0.026 0.000 1.005 221 S CB -0.195 62.987 63.200 -0.031 0.000 0.867 221 S HN 0.300 nan 8.310 nan 0.000 0.449 222 I N 1.362 121.919 120.570 -0.022 0.000 2.286 222 I HA -0.096 4.074 4.170 -0.000 0.000 0.248 222 I C 2.254 178.367 176.117 -0.007 0.000 1.115 222 I CA 1.055 62.344 61.300 -0.017 0.000 1.392 222 I CB -1.483 36.505 38.000 -0.019 0.000 1.065 222 I HN 0.173 nan 8.210 nan 0.000 0.418 223 V N 1.601 121.515 119.914 0.000 0.000 2.270 223 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 223 V C 2.891 178.995 176.094 0.016 0.000 1.043 223 V CA 1.869 64.179 62.300 0.017 0.000 1.014 223 V CB -1.126 30.715 31.823 0.031 0.000 0.645 223 V HN 0.455 nan 8.190 nan 0.000 0.447 224 A N 0.211 123.035 122.820 0.006 0.000 2.024 224 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 224 A C 1.690 179.273 177.584 -0.002 0.000 1.164 224 A CA 2.287 54.325 52.037 0.002 0.000 0.643 224 A CB -0.697 18.298 19.000 -0.008 0.000 0.806 224 A HN 0.727 nan 8.150 nan 0.000 0.451 225 N N -0.999 117.697 118.700 -0.006 0.000 2.234 225 N HA 0.330 5.070 4.740 -0.000 0.000 0.227 225 N C 0.506 176.008 175.510 -0.014 0.000 1.151 225 N CA 0.249 53.292 53.050 -0.011 0.000 0.865 225 N CB 0.814 39.292 38.487 -0.015 0.000 1.066 225 N HN 0.401 nan 8.380 nan 0.000 0.515 226 G N -0.260 108.534 108.800 -0.011 0.000 2.528 226 G HA2 0.302 4.261 3.960 -0.000 0.000 0.289 226 G HA3 0.302 4.261 3.960 -0.000 0.000 0.289 226 G C -0.441 174.438 174.900 -0.036 0.000 1.192 226 G CA -0.335 44.752 45.100 -0.022 0.000 0.921 226 G HN -0.010 nan 8.290 nan 0.000 0.512 227 Q N -0.467 119.300 119.800 -0.056 0.000 2.282 227 Q HA 0.479 4.818 4.340 -0.000 0.000 0.260 227 Q C -0.619 175.301 176.000 -0.133 0.000 0.964 227 Q CA -0.681 55.077 55.803 -0.076 0.000 0.880 227 Q CB 2.238 30.937 28.738 -0.065 0.000 1.286 227 Q HN 0.594 nan 8.270 nan 0.000 0.445 228 V N -0.042 119.769 119.914 -0.172 0.000 2.509 228 V HA 0.432 4.552 4.120 -0.000 0.000 0.289 228 V C -0.003 175.953 176.094 -0.230 0.000 1.026 228 V CA -0.947 61.166 62.300 -0.311 0.000 0.872 228 V CB 1.435 32.893 31.823 -0.608 0.000 1.017 228 V HN 1.018 nan 8.190 nan 0.000 0.436 229 N N 3.240 121.827 118.700 -0.187 0.000 2.726 229 N HA -0.209 4.531 4.740 -0.000 0.000 0.253 229 N C 1.302 176.767 175.510 -0.076 0.000 1.059 229 N CA 1.285 54.265 53.050 -0.116 0.000 0.701 229 N CB -0.837 37.588 38.487 -0.104 0.000 0.899 229 N HN 2.261 nan 8.380 nan 0.000 0.548 230 G N 0.004 108.761 108.800 -0.071 0.000 2.451 230 G HA2 -0.415 3.544 3.960 -0.000 0.000 0.253 230 G HA3 -0.415 3.544 3.960 -0.000 0.000 0.253 230 G C 0.249 175.123 174.900 -0.043 0.000 1.033 230 G CA 1.637 46.707 45.100 -0.050 0.000 0.633 230 G HN 0.917 nan 8.290 nan 0.000 0.537 231 R N 0.576 121.049 120.500 -0.045 0.000 2.607 231 R HA 0.753 5.092 4.340 -0.000 0.000 0.261 231 R C -3.055 173.223 176.300 -0.037 0.000 1.051 231 R CA -2.419 53.662 56.100 -0.031 0.000 1.110 231 R CB -0.134 30.155 30.300 -0.018 0.000 1.158 231 R HN 0.183 nan 8.270 nan 0.000 0.543 232 P HA 0.206 nan 4.420 nan 0.000 0.284 232 P C -0.418 176.882 177.300 0.001 0.000 1.253 232 P CA -0.594 62.497 63.100 -0.016 0.000 0.800 232 P CB 0.702 32.397 31.700 -0.009 0.000 0.961 233 I N 2.250 122.825 120.570 0.008 0.000 2.813 233 I HA 0.043 4.213 4.170 -0.000 0.000 0.287 233 I C 0.726 176.875 176.117 0.053 0.000 1.196 233 I CA 0.434 61.769 61.300 0.058 0.000 1.421 233 I CB 0.650 38.691 38.000 0.070 0.000 1.365 233 I HN 0.440 nan 8.210 nan 0.000 0.591 234 T N 2.218 116.815 114.554 0.071 0.000 2.847 234 T HA 0.137 4.487 4.350 -0.000 0.000 0.279 234 T C 0.993 175.705 174.700 0.021 0.000 0.984 234 T CA -0.149 61.973 62.100 0.037 0.000 0.988 234 T CB 1.553 70.442 68.868 0.035 0.000 1.040 234 T HN 0.660 nan 8.240 nan 0.000 0.528 235 S N -0.291 115.408 115.700 -0.002 0.000 2.368 235 S HA -0.157 4.312 4.470 -0.000 0.000 0.225 235 S C 1.686 176.256 174.600 -0.049 0.000 1.030 235 S CA 1.828 60.014 58.200 -0.024 0.000 0.999 235 S CB -0.879 62.303 63.200 -0.029 0.000 0.844 235 S HN 0.920 nan 8.310 nan 0.000 0.459 236 D N 0.401 120.772 120.400 -0.050 0.000 2.117 236 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 236 D C 1.982 178.231 176.300 -0.085 0.000 0.987 236 D CA 1.450 55.396 54.000 -0.090 0.000 0.829 236 D CB -0.170 40.594 40.800 -0.061 0.000 0.961 236 D HN 0.531 nan 8.370 nan 0.000 0.460 237 E N -0.179 120.007 120.200 -0.024 0.000 2.110 237 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 237 E C 2.108 178.720 176.600 0.021 0.000 0.988 237 E CA 0.966 57.369 56.400 0.004 0.000 0.804 237 E CB -0.155 29.623 29.700 0.130 0.000 0.745 237 E HN 0.387 nan 8.360 nan 0.000 0.458 238 A N 1.636 124.467 122.820 0.019 0.000 1.930 238 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 238 A C 2.050 179.623 177.584 -0.018 0.000 1.175 238 A CA 1.502 53.551 52.037 0.019 0.000 0.627 238 A CB -0.332 18.674 19.000 0.010 0.000 0.815 238 A HN 0.082 nan 8.150 nan 0.000 0.443 239 K N -0.150 120.200 120.400 -0.084 0.000 2.009 239 K HA -0.193 4.126 4.320 -0.000 0.000 0.210 239 K C 2.237 178.768 176.600 -0.115 0.000 1.049 239 K CA 1.621 57.805 56.287 -0.171 0.000 0.929 239 K CB -0.254 32.026 32.500 -0.365 0.000 0.714 239 K HN 0.421 nan 8.250 nan 0.000 0.440 240 R N 0.004 120.440 120.500 -0.107 0.000 2.105 240 R HA -0.122 4.217 4.340 -0.000 0.000 0.239 240 R C 2.453 178.795 176.300 0.070 0.000 1.135 240 R CA 1.967 58.115 56.100 0.081 0.000 0.967 240 R CB -0.308 30.016 30.300 0.041 0.000 0.861 240 R HN 0.386 nan 8.270 nan 0.000 0.442 241 M N -0.276 119.338 119.600 0.025 0.000 2.123 241 M HA -0.136 4.343 4.480 -0.000 0.000 0.263 241 M C 2.569 178.854 176.300 -0.025 0.000 1.069 241 M CA 1.240 56.551 55.300 0.018 0.000 1.133 241 M CB -0.475 32.164 32.600 0.066 0.000 1.356 241 M HN 0.212 nan 8.290 nan 0.000 0.415 242 C N 0.902 120.209 119.300 0.011 0.000 2.403 242 C HA -0.119 4.341 4.460 -0.000 0.000 0.279 242 C C 2.909 177.877 174.990 -0.036 0.000 1.269 242 C CA 1.057 60.092 59.018 0.029 0.000 1.774 242 C CB -1.963 25.817 27.740 0.067 0.000 1.993 242 C HN 0.773 nan 8.230 nan 0.000 0.496 243 G N 0.274 109.025 108.800 -0.083 0.000 2.440 243 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 243 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 243 G C 1.496 175.883 174.900 -0.855 0.000 1.154 243 G CA 1.021 45.913 45.100 -0.347 0.000 0.767 243 G HN 0.476 nan 8.290 nan 0.000 0.552 244 L N 0.502 121.200 121.223 -0.874 0.000 2.046 244 L HA 0.115 4.455 4.340 -0.000 0.000 0.208 244 L C 2.715 179.385 176.870 -0.334 0.000 1.077 244 L CA 1.241 55.662 54.840 -0.698 0.000 0.747 244 L CB -0.379 41.476 42.059 -0.341 0.000 0.896 244 L HN 0.198 nan 8.230 nan 0.000 0.432 245 L N -1.493 119.618 121.223 -0.186 0.000 2.042 245 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 245 L C 2.511 179.231 176.870 -0.250 0.000 1.076 245 L CA 0.808 55.616 54.840 -0.053 0.000 0.749 245 L CB -0.684 41.471 42.059 0.161 0.000 0.893 245 L HN 0.314 nan 8.230 nan 0.000 0.432 246 L N -0.390 120.717 121.223 -0.195 0.000 1.989 246 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 246 L C 2.634 179.259 176.870 -0.408 0.000 1.071 246 L CA 1.695 56.365 54.840 -0.283 0.000 0.749 246 L CB -0.987 41.009 42.059 -0.104 0.000 0.890 246 L HN 0.129 nan 8.230 nan 0.000 0.431 247 V N -0.081 119.648 119.914 -0.308 0.000 2.295 247 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 247 V C 2.686 178.661 176.094 -0.198 0.000 1.049 247 V CA 1.808 63.989 62.300 -0.199 0.000 1.024 247 V CB -1.534 30.227 31.823 -0.105 0.000 0.648 247 V HN 0.554 nan 8.190 nan 0.000 0.447 248 G N 0.196 108.865 108.800 -0.219 0.000 2.421 248 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 248 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 248 G C 1.625 176.355 174.900 -0.284 0.000 1.171 248 G CA 1.020 46.021 45.100 -0.167 0.000 0.775 248 G HN 0.599 nan 8.290 nan 0.000 0.543 249 G N 0.597 109.026 108.800 -0.618 0.000 2.421 249 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.216 249 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.216 249 G C 1.747 176.321 174.900 -0.544 0.000 1.171 249 G CA 0.900 45.448 45.100 -0.921 0.000 0.775 249 G HN 0.361 nan 8.290 nan 0.000 0.543 250 L N -0.014 120.930 121.223 -0.466 0.000 2.131 250 L HA 0.193 4.532 4.340 -0.000 0.000 0.206 250 L C 2.057 178.846 176.870 -0.135 0.000 1.087 250 L CA 1.421 56.118 54.840 -0.239 0.000 0.767 250 L CB -0.001 41.937 42.059 -0.202 0.000 0.917 250 L HN 0.122 nan 8.230 nan 0.000 0.441 251 D N -2.272 118.060 120.400 -0.114 0.000 2.389 251 D HA -0.036 4.604 4.640 -0.000 0.000 0.206 251 D C 1.920 178.219 176.300 -0.002 0.000 1.055 251 D CA 0.990 54.964 54.000 -0.043 0.000 0.856 251 D CB 0.417 41.205 40.800 -0.020 0.000 0.957 251 D HN 0.314 nan 8.370 nan 0.000 0.509 252 T N -2.822 111.734 114.554 0.005 0.000 2.990 252 T HA 0.020 4.370 4.350 -0.000 0.000 0.237 252 T C 2.017 176.795 174.700 0.130 0.000 1.009 252 T CA 0.653 62.792 62.100 0.065 0.000 1.195 252 T CB -0.717 68.188 68.868 0.061 0.000 0.885 252 T HN -0.124 nan 8.240 nan 0.000 0.424 253 V N 2.305 122.289 119.914 0.117 0.000 2.490 253 V HA -0.127 3.993 4.120 -0.000 0.000 0.250 253 V C 2.943 179.152 176.094 0.192 0.000 1.061 253 V CA 1.301 63.721 62.300 0.199 0.000 1.064 253 V CB -0.900 31.002 31.823 0.131 0.000 0.670 253 V HN 0.385 nan 8.190 nan 0.000 0.461 254 V N 0.884 120.854 119.914 0.092 0.000 2.255 254 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 254 V C 2.291 178.408 176.094 0.038 0.000 1.051 254 V CA 2.405 64.735 62.300 0.051 0.000 1.018 254 V CB -0.820 31.001 31.823 -0.003 0.000 0.641 254 V HN 0.615 nan 8.190 nan 0.000 0.445 255 N N -0.593 118.119 118.700 0.021 0.000 2.171 255 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 255 N C 1.829 177.309 175.510 -0.051 0.000 1.021 255 N CA 1.364 54.356 53.050 -0.096 0.000 0.854 255 N CB -0.410 38.046 38.487 -0.050 0.000 0.994 255 N HN 0.453 nan 8.380 nan 0.000 0.426 256 F N 2.550 122.545 119.950 0.075 0.000 2.087 256 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 256 F C 2.165 178.037 175.800 0.120 0.000 1.100 256 F CA 1.225 59.322 58.000 0.162 0.000 1.226 256 F CB -0.469 38.607 39.000 0.127 0.000 0.983 256 F HN -0.070 nan 8.300 nan 0.000 0.479 257 L N -0.955 120.266 121.223 -0.004 0.000 2.056 257 L HA -0.224 4.116 4.340 -0.000 0.000 0.207 257 L C 2.462 179.261 176.870 -0.119 0.000 1.078 257 L CA 1.404 56.262 54.840 0.030 0.000 0.749 257 L CB -0.996 41.284 42.059 0.369 0.000 0.901 257 L HN 0.052 nan 8.230 nan 0.000 0.433 258 S N -0.050 115.583 115.700 -0.111 0.000 2.356 258 S HA -0.131 4.339 4.470 -0.000 0.000 0.223 258 S C 1.799 176.124 174.600 -0.459 0.000 1.032 258 S CA 1.296 59.345 58.200 -0.251 0.000 1.005 258 S CB -0.460 62.612 63.200 -0.213 0.000 0.867 258 S HN 0.208 nan 8.310 nan 0.000 0.449 259 F N 2.233 121.904 119.950 -0.465 0.000 2.134 259 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 259 F C 2.810 178.036 175.800 -0.958 0.000 1.097 259 F CA 0.897 58.480 58.000 -0.695 0.000 1.264 259 F CB -1.007 37.599 39.000 -0.656 0.000 1.001 259 F HN 0.099 nan 8.300 nan 0.000 0.479 260 S N -0.299 114.982 115.700 -0.699 0.000 2.368 260 S HA -0.213 4.257 4.470 -0.000 0.000 0.224 260 S C 2.003 176.377 174.600 -0.377 0.000 1.029 260 S CA 1.337 59.192 58.200 -0.574 0.000 0.988 260 S CB -0.373 62.522 63.200 -0.509 0.000 0.838 260 S HN 0.280 nan 8.310 nan 0.000 0.462 261 M N 1.707 120.999 119.600 -0.513 0.000 2.175 261 M HA -0.019 4.461 4.480 -0.000 0.000 0.264 261 M C 1.933 177.991 176.300 -0.403 0.000 1.063 261 M CA 1.410 56.332 55.300 -0.630 0.000 1.119 261 M CB -0.298 31.448 32.600 -1.423 0.000 1.377 261 M HN 0.310 nan 8.290 nan 0.000 0.415 262 E N -0.838 119.138 120.200 -0.374 0.000 2.085 262 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 262 E C 1.880 178.372 176.600 -0.179 0.000 0.994 262 E CA 1.626 57.898 56.400 -0.212 0.000 0.801 262 E CB -0.366 29.253 29.700 -0.136 0.000 0.743 262 E HN 0.542 nan 8.360 nan 0.000 0.453 263 F N 1.347 121.089 119.950 -0.348 0.000 2.102 263 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 263 F C 1.888 177.585 175.800 -0.172 0.000 1.105 263 F CA 1.431 59.281 58.000 -0.251 0.000 1.239 263 F CB -0.310 38.496 39.000 -0.323 0.000 0.991 263 F HN 0.012 nan 8.300 nan 0.000 0.474 264 L N -0.071 120.910 121.223 -0.403 0.000 2.093 264 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 264 L C 2.777 179.312 176.870 -0.558 0.000 1.085 264 L CA 1.098 55.694 54.840 -0.406 0.000 0.755 264 L CB -1.275 40.754 42.059 -0.050 0.000 0.904 264 L HN 0.260 nan 8.230 nan 0.000 0.435 265 A N 0.116 122.642 122.820 -0.491 0.000 2.024 265 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 265 A C 2.190 179.508 177.584 -0.443 0.000 1.164 265 A CA 1.684 53.355 52.037 -0.610 0.000 0.643 265 A CB -0.268 18.648 19.000 -0.140 0.000 0.806 265 A HN 0.330 nan 8.150 nan 0.000 0.451 266 K N -1.092 119.078 120.400 -0.383 0.000 2.367 266 K HA 0.158 4.477 4.320 -0.000 0.000 0.194 266 K C 0.334 176.744 176.600 -0.318 0.000 1.027 266 K CA 0.495 56.612 56.287 -0.284 0.000 1.075 266 K CB 0.456 32.844 32.500 -0.186 0.000 0.845 266 K HN 0.213 nan 8.250 nan 0.000 0.529 267 S N 0.924 116.355 115.700 -0.449 0.000 2.158 267 S HA 0.272 4.742 4.470 -0.000 0.000 0.160 267 S C -2.329 172.148 174.600 -0.204 0.000 1.693 267 S CA -1.777 56.231 58.200 -0.320 0.000 1.251 267 S CB 0.508 63.393 63.200 -0.526 0.000 1.153 267 S HN -0.121 nan 8.310 nan 0.000 0.439 268 P HA -0.149 nan 4.420 nan 0.000 0.216 268 P C 0.924 178.181 177.300 -0.073 0.000 1.154 268 P CA 1.349 64.371 63.100 -0.130 0.000 0.865 268 P CB 0.194 31.834 31.700 -0.101 0.000 0.789 269 E N -1.989 118.165 120.200 -0.078 0.000 2.153 269 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 269 E C 1.849 178.361 176.600 -0.147 0.000 0.988 269 E CA 1.234 57.564 56.400 -0.116 0.000 0.811 269 E CB -0.972 28.621 29.700 -0.177 0.000 0.746 269 E HN 0.509 nan 8.360 nan 0.000 0.466 270 H N -0.193 118.852 119.070 -0.041 0.000 2.395 270 H HA 0.147 4.703 4.556 -0.000 0.000 0.299 270 H C 1.908 177.354 175.328 0.197 0.000 1.070 270 H CA 1.132 57.217 56.048 0.063 0.000 1.356 270 H CB 0.140 29.921 29.762 0.030 0.000 1.401 270 H HN -0.020 nan 8.280 nan 0.000 0.524 271 R N 0.345 120.949 120.500 0.173 0.000 2.083 271 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 271 R C 2.164 178.539 176.300 0.124 0.000 1.137 271 R CA 1.366 57.548 56.100 0.137 0.000 0.951 271 R CB -0.097 30.226 30.300 0.038 0.000 0.851 271 R HN 0.349 nan 8.270 nan 0.000 0.434 272 Q N 0.568 120.412 119.800 0.073 0.000 2.084 272 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 272 Q C 1.908 177.954 176.000 0.077 0.000 0.978 272 Q CA 1.436 57.273 55.803 0.056 0.000 0.844 272 Q CB -0.159 28.592 28.738 0.020 0.000 0.898 272 Q HN 0.436 nan 8.270 nan 0.000 0.426 273 E N 0.037 120.299 120.200 0.103 0.000 2.085 273 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 273 E C 2.062 178.747 176.600 0.143 0.000 0.994 273 E CA 0.833 57.313 56.400 0.133 0.000 0.801 273 E CB 0.003 29.836 29.700 0.222 0.000 0.743 273 E HN 0.284 nan 8.360 nan 0.000 0.453 274 L N 0.297 121.620 121.223 0.166 0.000 2.156 274 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 274 L C 2.418 179.332 176.870 0.073 0.000 1.095 274 L CA 0.528 55.429 54.840 0.102 0.000 0.770 274 L CB -0.236 41.886 42.059 0.106 0.000 0.914 274 L HN 0.227 nan 8.230 nan 0.000 0.439 275 I N 0.166 120.784 120.570 0.080 0.000 2.202 275 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 275 I C 2.491 178.635 176.117 0.045 0.000 1.091 275 I CA 1.420 62.755 61.300 0.058 0.000 1.368 275 I CB -0.195 37.839 38.000 0.058 0.000 1.058 275 I HN 0.343 nan 8.210 nan 0.000 0.410 276 E N 0.913 121.141 120.200 0.046 0.000 2.230 276 E HA -0.015 4.335 4.350 -0.000 0.000 0.192 276 E C 0.584 177.207 176.600 0.037 0.000 0.987 276 E CA 0.506 56.929 56.400 0.038 0.000 0.841 276 E CB 0.052 29.772 29.700 0.033 0.000 0.783 276 E HN 0.391 nan 8.360 nan 0.000 0.481 277 R N 0.991 121.518 120.500 0.045 0.000 2.585 277 R HA 0.210 4.550 4.340 -0.000 0.000 0.278 277 R C -2.338 173.982 176.300 0.034 0.000 1.663 277 R CA -1.479 54.645 56.100 0.041 0.000 1.592 277 R CB 1.239 31.570 30.300 0.051 0.000 1.200 277 R HN 0.021 nan 8.270 nan 0.000 0.611 278 P HA -0.187 nan 4.420 nan 0.000 0.222 278 P C 1.219 178.526 177.300 0.012 0.000 1.147 278 P CA 0.919 64.030 63.100 0.019 0.000 0.790 278 P CB 0.312 32.024 31.700 0.021 0.000 0.780 279 E N 0.332 120.542 120.200 0.017 0.000 2.463 279 E HA -0.184 4.166 4.350 -0.000 0.000 0.201 279 E C 1.443 178.048 176.600 0.010 0.000 1.045 279 E CA 1.064 57.473 56.400 0.016 0.000 0.872 279 E CB -0.577 29.136 29.700 0.022 0.000 0.797 279 E HN 0.333 nan 8.360 nan 0.000 0.538 280 R N 0.049 120.548 120.500 -0.002 0.000 2.265 280 R HA 0.283 4.623 4.340 -0.000 0.000 0.194 280 R C 2.486 178.728 176.300 -0.097 0.000 0.931 280 R CA 0.175 56.258 56.100 -0.027 0.000 1.032 280 R CB -0.028 30.269 30.300 -0.004 0.000 0.980 280 R HN 0.176 nan 8.270 nan 0.000 0.497 281 I N 1.895 122.418 120.570 -0.078 0.000 2.113 281 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 281 I C -0.776 175.296 176.117 -0.075 0.000 1.057 281 I CA 1.875 63.120 61.300 -0.093 0.000 1.314 281 I CB -1.477 36.504 38.000 -0.031 0.000 1.022 281 I HN 0.069 nan 8.210 nan 0.000 0.408 282 P HA -0.159 nan 4.420 nan 0.000 0.214 282 P C 1.582 178.882 177.300 0.001 0.000 1.163 282 P CA 1.988 65.093 63.100 0.007 0.000 0.883 282 P CB -0.075 31.639 31.700 0.024 0.000 0.788 283 A N 0.002 122.816 122.820 -0.011 0.000 1.940 283 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 283 A C 2.345 179.913 177.584 -0.027 0.000 1.176 283 A CA 2.313 54.355 52.037 0.008 0.000 0.631 283 A CB -1.676 17.339 19.000 0.026 0.000 0.814 283 A HN 0.209 nan 8.150 nan 0.000 0.446 284 A N -1.222 121.468 122.820 -0.217 0.000 1.969 284 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 284 A C 2.377 179.884 177.584 -0.127 0.000 1.169 284 A CA 1.600 53.336 52.037 -0.502 0.000 0.635 284 A CB -1.354 16.948 19.000 -1.162 0.000 0.810 284 A HN 0.881 nan 8.150 nan 0.000 0.445 285 C N -0.367 118.902 119.300 -0.051 0.000 2.446 285 C HA -0.075 4.385 4.460 -0.000 0.000 0.277 285 C C 2.539 177.577 174.990 0.079 0.000 1.275 285 C CA 1.538 60.598 59.018 0.071 0.000 1.727 285 C CB -1.057 26.731 27.740 0.081 0.000 2.010 285 C HN 0.611 nan 8.230 nan 0.000 0.486 286 E N 0.741 120.982 120.200 0.067 0.000 2.077 286 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 286 E C 1.984 178.603 176.600 0.030 0.000 0.989 286 E CA 1.602 58.047 56.400 0.075 0.000 0.800 286 E CB -0.663 29.123 29.700 0.143 0.000 0.746 286 E HN 0.784 nan 8.360 nan 0.000 0.452 287 E N 0.952 121.203 120.200 0.085 0.000 2.077 287 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 287 E C 2.133 178.754 176.600 0.035 0.000 0.989 287 E CA 0.847 57.296 56.400 0.081 0.000 0.800 287 E CB -0.292 29.530 29.700 0.204 0.000 0.746 287 E HN 0.206 nan 8.360 nan 0.000 0.452 288 L N -0.169 121.152 121.223 0.163 0.000 2.156 288 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 288 L C 2.494 179.572 176.870 0.347 0.000 1.095 288 L CA 0.603 55.621 54.840 0.297 0.000 0.770 288 L CB -0.376 41.960 42.059 0.462 0.000 0.914 288 L HN 0.152 nan 8.230 nan 0.000 0.439 289 L N -0.335 120.936 121.223 0.080 0.000 2.083 289 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 289 L C 2.917 179.510 176.870 -0.462 0.000 1.083 289 L CA 1.203 55.817 54.840 -0.377 0.000 0.752 289 L CB -0.424 41.220 42.059 -0.692 0.000 0.899 289 L HN 0.261 nan 8.230 nan 0.000 0.433 290 R N 0.215 120.470 120.500 -0.408 0.000 2.070 290 R HA -0.220 4.120 4.340 -0.000 0.000 0.233 290 R C 2.461 178.585 176.300 -0.294 0.000 1.137 290 R CA 1.740 57.662 56.100 -0.296 0.000 0.945 290 R CB -0.100 30.128 30.300 -0.120 0.000 0.845 290 R HN 0.080 nan 8.270 nan 0.000 0.430 291 R N -0.233 120.034 120.500 -0.387 0.000 2.090 291 R HA -0.034 4.306 4.340 -0.000 0.000 0.228 291 R C 0.752 176.481 176.300 -0.950 0.000 1.110 291 R CA 1.431 57.103 56.100 -0.713 0.000 0.973 291 R CB -0.067 29.638 30.300 -0.991 0.000 0.869 291 R HN 0.247 nan 8.270 nan 0.000 0.440 292 F N 0.235 120.100 119.950 -0.141 0.000 2.750 292 F HA 0.429 4.956 4.527 -0.000 0.000 0.297 292 F C 0.507 176.235 175.800 -0.120 0.000 1.138 292 F CA -0.528 57.346 58.000 -0.211 0.000 1.346 292 F CB -0.142 38.694 39.000 -0.275 0.000 0.965 292 F HN -0.158 nan 8.300 nan 0.000 0.514 293 S N 1.898 117.519 115.700 -0.132 0.000 2.554 293 S HA 0.153 4.623 4.470 -0.000 0.000 0.290 293 S C 0.853 175.312 174.600 -0.236 0.000 1.309 293 S CA 0.157 58.232 58.200 -0.208 0.000 1.047 293 S CB 0.389 63.431 63.200 -0.262 0.000 0.828 293 S HN 0.583 nan 8.310 nan 0.000 0.509 294 L N 2.427 123.536 121.223 -0.191 0.000 3.689 294 L HA 0.581 4.921 4.340 -0.000 0.000 0.344 294 L C -0.872 175.881 176.870 -0.196 0.000 1.221 294 L CA -0.538 54.192 54.840 -0.184 0.000 1.171 294 L CB 0.307 42.414 42.059 0.080 0.000 1.540 294 L HN 0.344 nan 8.230 nan 0.000 0.631 295 V N 2.206 121.998 119.914 -0.203 0.000 2.427 295 V HA 0.791 4.911 4.120 -0.000 0.000 0.286 295 V C 0.400 176.345 176.094 -0.247 0.000 1.034 295 V CA 0.098 62.294 62.300 -0.173 0.000 0.893 295 V CB 1.432 33.196 31.823 -0.098 0.000 0.982 295 V HN 0.362 nan 8.190 nan 0.000 0.452 296 A N 4.244 126.910 122.820 -0.256 0.000 2.545 296 A HA 0.716 5.035 4.320 -0.000 0.000 0.300 296 A C -0.552 176.924 177.584 -0.180 0.000 1.252 296 A CA -0.594 51.307 52.037 -0.226 0.000 0.753 296 A CB 0.412 19.219 19.000 -0.321 0.000 1.144 296 A HN 0.851 nan 8.150 nan 0.000 0.457 297 D N 1.386 121.721 120.400 -0.108 0.000 2.723 297 D HA 0.846 5.486 4.640 -0.000 0.000 0.247 297 D C 0.362 176.653 176.300 -0.015 0.000 1.134 297 D CA 0.003 53.890 54.000 -0.188 0.000 1.099 297 D CB 1.140 41.748 40.800 -0.320 0.000 1.287 297 D HN 0.741 nan 8.370 nan 0.000 0.634 298 G N -1.769 107.032 108.800 0.002 0.000 2.634 298 G HA2 0.584 4.544 3.960 -0.000 0.000 0.309 298 G HA3 0.584 4.544 3.960 -0.000 0.000 0.309 298 G C -1.184 173.749 174.900 0.055 0.000 1.299 298 G CA -0.818 44.299 45.100 0.029 0.000 0.798 298 G HN 0.432 nan 8.290 nan 0.000 0.490 299 R N -1.192 119.337 120.500 0.049 0.000 2.888 299 R HA 0.650 4.990 4.340 -0.000 0.000 0.264 299 R C -1.337 175.052 176.300 0.148 0.000 1.045 299 R CA -0.829 55.332 56.100 0.103 0.000 0.962 299 R CB 1.990 32.368 30.300 0.130 0.000 1.210 299 R HN 0.550 nan 8.270 nan 0.000 0.479 300 I N 1.244 121.905 120.570 0.151 0.000 2.530 300 I HA 0.279 4.449 4.170 -0.000 0.000 0.297 300 I C -0.694 175.503 176.117 0.133 0.000 1.011 300 I CA -1.013 60.373 61.300 0.144 0.000 1.107 300 I CB 1.289 39.344 38.000 0.092 0.000 1.285 300 I HN 0.176 nan 8.210 nan 0.000 0.436 301 L N 6.024 127.321 121.223 0.124 0.000 2.349 301 L HA 0.230 4.570 4.340 -0.000 0.000 0.275 301 L C 1.435 178.303 176.870 -0.003 0.000 1.115 301 L CA 0.250 55.094 54.840 0.007 0.000 0.820 301 L CB 1.275 43.358 42.059 0.039 0.000 1.135 301 L HN 0.799 nan 8.230 nan 0.000 0.445 302 T N -1.959 112.554 114.554 -0.069 0.000 3.057 302 T HA 0.112 4.462 4.350 -0.000 0.000 0.254 302 T C 0.686 175.361 174.700 -0.042 0.000 1.094 302 T CA 0.448 62.514 62.100 -0.057 0.000 1.088 302 T CB 0.212 69.020 68.868 -0.100 0.000 0.934 302 T HN 0.627 nan 8.240 nan 0.000 0.497 303 S N -0.223 115.460 115.700 -0.029 0.000 2.661 303 S HA 0.488 4.958 4.470 -0.000 0.000 0.268 303 S C -2.122 172.497 174.600 0.032 0.000 1.162 303 S CA -1.152 57.052 58.200 0.007 0.000 0.817 303 S CB 0.796 64.005 63.200 0.015 0.000 1.141 303 S HN 0.047 nan 8.310 nan 0.000 0.477 304 D N 1.158 121.578 120.400 0.033 0.000 2.425 304 D HA 0.545 5.185 4.640 -0.000 0.000 0.247 304 D C -0.938 175.418 176.300 0.093 0.000 1.147 304 D CA 0.951 54.969 54.000 0.030 0.000 0.879 304 D CB 0.131 40.933 40.800 0.004 0.000 1.179 304 D HN 0.521 nan 8.370 nan 0.000 0.456 305 Y N 0.444 120.671 120.300 -0.122 0.000 2.521 305 Y HA 0.213 4.763 4.550 -0.000 0.000 0.332 305 Y C -1.385 174.418 175.900 -0.163 0.000 1.121 305 Y CA -0.921 57.057 58.100 -0.203 0.000 1.037 305 Y CB 1.502 39.726 38.460 -0.393 0.000 1.330 305 Y HN 0.271 nan 8.280 nan 0.000 0.452 306 E N 5.819 125.522 120.200 -0.828 0.000 2.081 306 E HA 0.291 4.640 4.350 -0.000 0.000 0.276 306 E C -1.962 174.186 176.600 -0.752 0.000 0.950 306 E CA -0.603 55.452 56.400 -0.575 0.000 0.776 306 E CB 0.697 30.183 29.700 -0.356 0.000 1.094 306 E HN 0.473 nan 8.360 nan 0.000 0.402 307 F N 4.852 124.443 119.950 -0.599 0.000 2.449 307 F HA 0.246 4.772 4.527 -0.001 0.000 0.342 307 F C 0.012 175.715 175.800 -0.162 0.000 1.127 307 F CA -0.641 57.133 58.000 -0.377 0.000 0.975 307 F CB 0.455 39.437 39.000 -0.030 0.000 1.146 307 F HN 0.586 nan 8.300 nan 0.000 0.444 308 H N 4.173 122.975 119.070 -0.447 0.000 2.626 308 H HA -0.197 4.359 4.556 0.000 0.000 0.317 308 H C 1.457 176.638 175.328 -0.245 0.000 1.140 308 H CA 1.086 56.881 56.048 -0.421 0.000 1.134 308 H CB -1.179 28.237 29.762 -0.578 0.000 1.486 308 H HN 1.164 nan 8.280 nan 0.000 0.417 309 G N -1.309 107.401 108.800 -0.151 0.000 2.184 309 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.264 309 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.264 309 G C 0.337 175.190 174.900 -0.078 0.000 0.975 309 G CA 0.387 45.429 45.100 -0.098 0.000 0.642 309 G HN 0.506 nan 8.290 nan 0.000 0.536 310 V N 0.890 120.744 119.914 -0.101 0.000 2.547 310 V HA 0.550 4.670 4.120 -0.000 0.000 0.299 310 V C 0.357 176.355 176.094 -0.160 0.000 1.040 310 V CA -0.928 61.302 62.300 -0.117 0.000 0.913 310 V CB 1.929 33.647 31.823 -0.176 0.000 0.992 310 V HN 0.274 nan 8.190 nan 0.000 0.449 311 Q N 3.683 123.418 119.800 -0.107 0.000 2.296 311 Q HA 0.510 4.850 4.340 -0.000 0.000 0.257 311 Q C -1.173 174.807 176.000 -0.034 0.000 0.942 311 Q CA -0.196 55.565 55.803 -0.069 0.000 0.939 311 Q CB 1.506 30.243 28.738 -0.003 0.000 1.198 311 Q HN 0.598 nan 8.270 nan 0.000 0.429 312 L N 3.003 124.176 121.223 -0.084 0.000 2.307 312 L HA 0.479 4.819 4.340 -0.000 0.000 0.284 312 L C 0.312 177.223 176.870 0.068 0.000 1.023 312 L CA -0.690 54.144 54.840 -0.011 0.000 0.810 312 L CB 1.306 43.282 42.059 -0.138 0.000 1.231 312 L HN 0.230 nan 8.230 nan 0.000 0.423 313 K N 2.927 123.398 120.400 0.118 0.000 2.234 313 K HA 0.196 4.516 4.320 -0.000 0.000 0.282 313 K C -0.158 176.468 176.600 0.043 0.000 1.039 313 K CA -0.714 55.542 56.287 -0.051 0.000 0.928 313 K CB 1.555 33.795 32.500 -0.432 0.000 1.039 313 K HN 0.440 nan 8.250 nan 0.000 0.470 314 K N 1.040 121.447 120.400 0.012 0.000 2.511 314 K HA -0.174 4.146 4.320 -0.000 0.000 0.277 314 K C 0.686 177.320 176.600 0.057 0.000 1.025 314 K CA 1.484 57.788 56.287 0.028 0.000 1.112 314 K CB -0.086 32.419 32.500 0.009 0.000 0.859 314 K HN 0.902 nan 8.250 nan 0.000 0.485 315 G N 3.285 112.137 108.800 0.087 0.000 2.194 315 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.236 315 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.236 315 G C -0.331 174.681 174.900 0.186 0.000 0.987 315 G CA 0.080 45.246 45.100 0.110 0.000 0.635 315 G HN 0.712 nan 8.290 nan 0.000 0.520 316 D N 1.418 121.980 120.400 0.269 0.000 2.414 316 D HA 0.418 5.058 4.640 -0.000 0.000 0.242 316 D C 0.801 177.340 176.300 0.399 0.000 1.129 316 D CA 0.470 54.748 54.000 0.465 0.000 0.885 316 D CB 0.644 41.892 40.800 0.746 0.000 1.198 316 D HN 0.477 nan 8.370 nan 0.000 0.437 317 Q N 0.979 121.009 119.800 0.383 0.000 2.230 317 Q HA 0.573 4.913 4.340 -0.000 0.000 0.253 317 Q C -0.343 175.895 176.000 0.397 0.000 0.919 317 Q CA -0.565 55.407 55.803 0.281 0.000 0.908 317 Q CB 2.565 31.389 28.738 0.144 0.000 1.245 317 Q HN 0.466 nan 8.270 nan 0.000 0.437 318 I N 2.732 123.494 120.570 0.321 0.000 2.498 318 I HA 0.284 4.454 4.170 -0.000 0.000 0.290 318 I C -1.573 174.636 176.117 0.152 0.000 1.032 318 I CA -1.146 60.352 61.300 0.330 0.000 1.073 318 I CB 1.415 39.612 38.000 0.329 0.000 1.251 318 I HN 0.515 nan 8.210 nan 0.000 0.426 319 L N 8.183 129.511 121.223 0.175 0.000 2.290 319 L HA 0.399 4.739 4.340 -0.000 0.000 0.284 319 L C -1.136 175.775 176.870 0.068 0.000 1.078 319 L CA 0.206 55.102 54.840 0.093 0.000 0.815 319 L CB 0.805 42.955 42.059 0.152 0.000 1.162 319 L HN 0.537 nan 8.230 nan 0.000 0.435 320 L N 7.550 128.783 121.223 0.016 0.000 2.502 320 L HA 0.385 4.725 4.340 -0.000 0.000 0.247 320 L C -2.165 174.782 176.870 0.129 0.000 1.180 320 L CA -1.662 53.156 54.840 -0.037 0.000 0.956 320 L CB 0.811 42.616 42.059 -0.424 0.000 1.282 320 L HN 0.495 nan 8.230 nan 0.000 0.470 321 P HA 0.023 nan 4.420 nan 0.000 0.258 321 P C 0.296 177.611 177.300 0.025 0.000 1.214 321 P CA 0.149 63.290 63.100 0.067 0.000 0.872 321 P CB 0.732 32.547 31.700 0.192 0.000 0.890 322 Q N 2.685 122.494 119.800 0.016 0.000 2.135 322 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 322 Q C 1.898 177.845 176.000 -0.088 0.000 0.981 322 Q CA 1.575 57.375 55.803 -0.007 0.000 0.856 322 Q CB -0.559 28.138 28.738 -0.068 0.000 0.902 322 Q HN 0.504 nan 8.270 nan 0.000 0.425 323 M N -0.315 119.176 119.600 -0.182 0.000 2.260 323 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 323 M C 1.244 177.446 176.300 -0.163 0.000 1.066 323 M CA 1.456 56.612 55.300 -0.240 0.000 1.082 323 M CB 0.045 32.377 32.600 -0.447 0.000 1.388 323 M HN 0.298 nan 8.290 nan 0.000 0.419 324 L N -1.113 120.054 121.223 -0.093 0.000 2.209 324 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 324 L C 2.357 179.197 176.870 -0.051 0.000 1.094 324 L CA 0.479 55.289 54.840 -0.048 0.000 0.790 324 L CB -0.477 41.584 42.059 0.004 0.000 0.932 324 L HN 0.278 nan 8.230 nan 0.000 0.447 325 S N 0.642 116.318 115.700 -0.041 0.000 2.372 325 S HA -0.202 4.268 4.470 -0.000 0.000 0.227 325 S C 1.912 176.485 174.600 -0.044 0.000 1.044 325 S CA 1.665 59.840 58.200 -0.042 0.000 1.050 325 S CB -0.647 62.533 63.200 -0.034 0.000 0.901 325 S HN 0.612 nan 8.310 nan 0.000 0.447 326 G N 0.473 109.250 108.800 -0.039 0.000 2.623 326 G HA2 0.135 4.095 3.960 -0.000 0.000 0.214 326 G HA3 0.135 4.095 3.960 -0.000 0.000 0.214 326 G C 1.074 175.930 174.900 -0.072 0.000 1.138 326 G CA -0.031 45.049 45.100 -0.033 0.000 0.794 326 G HN 0.456 nan 8.290 nan 0.000 0.535 327 L N 0.494 121.665 121.223 -0.088 0.000 2.591 327 L HA 0.188 4.528 4.340 -0.000 0.000 0.228 327 L C 0.374 177.202 176.870 -0.071 0.000 1.133 327 L CA -0.222 54.562 54.840 -0.094 0.000 0.880 327 L CB 0.103 42.101 42.059 -0.102 0.000 1.033 327 L HN 0.032 nan 8.230 nan 0.000 0.450 328 D N 1.170 121.532 120.400 -0.063 0.000 2.312 328 D HA -0.028 4.611 4.640 -0.000 0.000 0.252 328 D C 1.324 177.592 176.300 -0.053 0.000 1.150 328 D CA -0.105 53.859 54.000 -0.060 0.000 0.870 328 D CB 1.248 42.010 40.800 -0.064 0.000 1.153 328 D HN 0.158 nan 8.370 nan 0.000 0.457 329 E N 4.460 124.630 120.200 -0.051 0.000 2.204 329 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 329 E C 1.052 177.628 176.600 -0.039 0.000 0.990 329 E CA 0.865 57.239 56.400 -0.042 0.000 0.821 329 E CB -0.214 29.461 29.700 -0.041 0.000 0.750 329 E HN 0.536 nan 8.360 nan 0.000 0.477 330 R N 0.454 120.926 120.500 -0.046 0.000 2.276 330 R HA 0.045 4.385 4.340 -0.000 0.000 0.203 330 R C 1.810 178.087 176.300 -0.039 0.000 1.017 330 R CA 0.910 56.983 56.100 -0.044 0.000 1.010 330 R CB 0.129 30.397 30.300 -0.054 0.000 0.900 330 R HN 0.239 nan 8.270 nan 0.000 0.469 331 E N -0.040 120.136 120.200 -0.039 0.000 2.256 331 E HA 0.129 4.479 4.350 -0.000 0.000 0.198 331 E C -0.014 176.572 176.600 -0.024 0.000 0.908 331 E CA 0.326 56.706 56.400 -0.034 0.000 0.915 331 E CB 0.408 30.084 29.700 -0.040 0.000 0.890 331 E HN 0.173 nan 8.360 nan 0.000 0.484 332 N N 0.924 119.609 118.700 -0.026 0.000 2.410 332 N HA 0.374 5.114 4.740 -0.000 0.000 0.287 332 N C -0.892 174.609 175.510 -0.016 0.000 1.044 332 N CA -0.173 52.867 53.050 -0.017 0.000 0.881 332 N CB 2.354 40.827 38.487 -0.024 0.000 1.405 332 N HN -0.002 nan 8.380 nan 0.000 0.490 333 A N 0.644 123.461 122.820 -0.004 0.000 2.498 333 A HA 0.193 4.512 4.320 -0.000 0.000 0.239 333 A C 0.734 178.323 177.584 0.008 0.000 1.068 333 A CA -0.043 51.993 52.037 -0.002 0.000 0.766 333 A CB -0.233 18.770 19.000 0.004 0.000 1.003 333 A HN 0.955 nan 8.150 nan 0.000 0.497 334 C N 2.335 121.635 119.300 -0.001 0.000 3.563 334 C HA -0.103 4.357 4.460 -0.000 0.000 0.284 334 C C -0.326 174.676 174.990 0.020 0.000 1.356 334 C CA -0.032 58.990 59.018 0.007 0.000 2.166 334 C CB -2.342 25.403 27.740 0.009 0.000 1.399 334 C HN 0.866 nan 8.230 nan 0.000 0.583 335 P HA -0.199 nan 4.420 nan 0.000 0.217 335 P C 1.403 178.650 177.300 -0.088 0.000 1.148 335 P CA 1.695 64.763 63.100 -0.054 0.000 0.828 335 P CB 0.003 31.665 31.700 -0.064 0.000 0.783 336 M N -1.790 117.775 119.600 -0.059 0.000 2.558 336 M HA 0.038 4.517 4.480 -0.000 0.000 0.255 336 M C 0.839 177.103 176.300 -0.061 0.000 1.113 336 M CA 0.312 55.562 55.300 -0.084 0.000 1.097 336 M CB -1.819 30.756 32.600 -0.043 0.000 1.426 336 M HN 0.035 nan 8.290 nan 0.000 0.488 337 H N 0.551 119.542 119.070 -0.131 0.000 2.562 337 H HA 0.425 4.981 4.556 -0.000 0.000 0.314 337 H C -1.045 174.179 175.328 -0.173 0.000 1.079 337 H CA -0.473 55.510 56.048 -0.108 0.000 1.349 337 H CB 0.868 30.599 29.762 -0.053 0.000 1.432 337 H HN -0.171 nan 8.280 nan 0.000 0.479 338 V N 5.828 125.390 119.914 -0.587 0.000 2.432 338 V HA 0.164 4.284 4.120 -0.000 0.000 0.271 338 V C -0.077 175.602 176.094 -0.692 0.000 1.046 338 V CA -0.268 61.642 62.300 -0.650 0.000 0.945 338 V CB 0.840 32.092 31.823 -0.952 0.000 0.992 338 V HN 0.835 nan 8.190 nan 0.000 0.471 339 D N 3.764 123.909 120.400 -0.426 0.000 2.575 339 D HA 0.366 5.006 4.640 -0.000 0.000 0.250 339 D C 0.267 176.590 176.300 0.037 0.000 1.279 339 D CA -0.582 53.276 54.000 -0.237 0.000 0.925 339 D CB 1.293 42.016 40.800 -0.129 0.000 1.261 339 D HN 0.183 nan 8.370 nan 0.000 0.567 340 F N 1.509 121.495 119.950 0.060 0.000 2.365 340 F HA -0.018 4.509 4.527 -0.000 0.000 0.300 340 F C 2.272 178.104 175.800 0.054 0.000 1.090 340 F CA 0.773 58.816 58.000 0.073 0.000 1.408 340 F CB -0.540 38.532 39.000 0.120 0.000 1.060 340 F HN 0.386 nan 8.300 nan 0.000 0.534 341 S N -0.609 115.217 115.700 0.211 0.000 2.574 341 S HA 0.216 4.686 4.470 -0.000 0.000 0.242 341 S C 0.507 175.166 174.600 0.099 0.000 0.982 341 S CA -0.678 57.603 58.200 0.135 0.000 0.977 341 S CB -0.430 62.837 63.200 0.111 0.000 0.814 341 S HN 0.103 nan 8.310 nan 0.000 0.464 342 R N 1.734 122.292 120.500 0.097 0.000 2.537 342 R HA 0.089 4.429 4.340 -0.000 0.000 0.281 342 R C 1.084 177.422 176.300 0.063 0.000 0.988 342 R CA -0.068 56.074 56.100 0.071 0.000 1.077 342 R CB 0.327 30.663 30.300 0.061 0.000 0.932 342 R HN 0.327 nan 8.270 nan 0.000 0.409 343 Q N 1.664 121.494 119.800 0.050 0.000 2.170 343 Q HA -0.124 4.215 4.340 -0.000 0.000 0.203 343 Q C 0.125 176.149 176.000 0.039 0.000 0.976 343 Q CA 1.512 57.341 55.803 0.042 0.000 0.858 343 Q CB 0.002 28.760 28.738 0.034 0.000 0.907 343 Q HN 0.242 nan 8.270 nan 0.000 0.433 344 K N -0.320 120.102 120.400 0.037 0.000 2.565 344 K HA 0.316 4.636 4.320 -0.000 0.000 0.249 344 K C -1.694 174.928 176.600 0.036 0.000 0.958 344 K CA -0.402 55.904 56.287 0.032 0.000 0.806 344 K CB 1.772 34.284 32.500 0.020 0.000 1.194 344 K HN -0.275 nan 8.250 nan 0.000 0.434 345 V N 3.586 123.529 119.914 0.048 0.000 2.318 345 V HA 0.416 4.536 4.120 -0.000 0.000 0.271 345 V C -0.346 175.778 176.094 0.050 0.000 1.030 345 V CA -0.627 61.716 62.300 0.072 0.000 0.844 345 V CB 0.995 32.888 31.823 0.116 0.000 1.015 345 V HN 0.811 nan 8.190 nan 0.000 0.460 346 S N 5.476 121.192 115.700 0.027 0.000 2.442 346 S HA 0.753 5.223 4.470 -0.000 0.000 0.297 346 S C -0.613 173.994 174.600 0.012 0.000 1.131 346 S CA -0.400 57.784 58.200 -0.028 0.000 1.092 346 S CB 0.347 63.530 63.200 -0.028 0.000 0.998 346 S HN 1.090 nan 8.310 nan 0.000 0.478 347 H N 0.089 119.138 119.070 -0.036 0.000 2.932 347 H HA 0.598 5.154 4.556 -0.000 0.000 0.307 347 H C -0.522 174.780 175.328 -0.042 0.000 1.391 347 H CA -0.371 55.638 56.048 -0.066 0.000 1.130 347 H CB 0.978 30.676 29.762 -0.106 0.000 1.836 347 H HN 0.368 nan 8.280 nan 0.000 0.522 348 T N -2.491 112.125 114.554 0.102 0.000 3.633 348 T HA 0.172 4.522 4.350 -0.000 0.000 0.278 348 T C 0.389 175.139 174.700 0.082 0.000 0.991 348 T CA 0.100 62.247 62.100 0.078 0.000 1.036 348 T CB -0.461 68.430 68.868 0.038 0.000 1.148 348 T HN 0.620 nan 8.240 nan 0.000 0.501 349 T N 1.477 116.138 114.554 0.178 0.000 2.699 349 T HA -0.013 4.337 4.350 -0.000 0.000 0.268 349 T C 0.423 174.920 174.700 -0.338 0.000 1.036 349 T CA 1.505 63.450 62.100 -0.258 0.000 1.147 349 T CB -0.403 68.022 68.868 -0.738 0.000 0.862 349 T HN 0.562 nan 8.240 nan 0.000 0.446 350 F N 1.258 121.220 119.950 0.020 0.000 2.730 350 F HA 0.504 5.031 4.527 -0.000 0.000 0.295 350 F C 1.504 177.273 175.800 -0.052 0.000 1.143 350 F CA -0.334 57.642 58.000 -0.039 0.000 1.367 350 F CB -0.484 38.484 39.000 -0.054 0.000 0.970 350 F HN 0.311 nan 8.300 nan 0.000 0.514 351 G N 0.227 109.048 108.800 0.035 0.000 2.698 351 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.225 351 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.225 351 G C -1.412 173.487 174.900 -0.002 0.000 1.345 351 G CA -0.634 44.409 45.100 -0.096 0.000 0.871 351 G HN 0.599 nan 8.290 nan 0.000 0.540 352 H N -1.022 117.905 119.070 -0.239 0.000 3.079 352 H HA 0.678 5.234 4.556 -0.000 0.000 0.356 352 H C 0.577 175.916 175.328 0.018 0.000 1.221 352 H CA 1.724 57.737 56.048 -0.058 0.000 1.185 352 H CB 1.373 31.154 29.762 0.032 0.000 1.882 352 H HN 2.664 nan 8.280 nan 0.000 0.543 353 G N 1.051 109.578 108.800 -0.455 0.000 2.584 353 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.229 353 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.229 353 G C 1.132 176.008 174.900 -0.040 0.000 1.320 353 G CA 0.521 45.545 45.100 -0.127 0.000 0.891 353 G HN 1.374 nan 8.290 nan 0.000 0.573 354 S N -1.055 114.664 115.700 0.032 0.000 2.469 354 S HA -0.085 4.384 4.470 -0.000 0.000 0.238 354 S C 1.320 175.832 174.600 -0.147 0.000 0.998 354 S CA 1.885 60.030 58.200 -0.091 0.000 0.957 354 S CB -0.252 62.836 63.200 -0.187 0.000 0.764 354 S HN 0.739 nan 8.310 nan 0.000 0.514 355 H N 0.402 119.466 119.070 -0.009 0.000 2.537 355 H HA 0.346 4.902 4.556 -0.000 0.000 0.295 355 H C -0.028 175.288 175.328 -0.021 0.000 1.054 355 H CA -0.545 55.504 56.048 0.000 0.000 1.156 355 H CB -0.117 29.663 29.762 0.030 0.000 1.468 355 H HN 0.285 nan 8.280 nan 0.000 0.551 356 L N 1.327 122.573 121.223 0.037 0.000 2.559 356 L HA -0.090 4.250 4.340 -0.000 0.000 0.282 356 L C 0.507 177.393 176.870 0.027 0.000 1.232 356 L CA 0.246 55.097 54.840 0.017 0.000 0.885 356 L CB 0.104 42.150 42.059 -0.021 0.000 1.131 356 L HN 0.308 nan 8.230 nan 0.000 0.498 357 C N 6.095 125.418 119.300 0.038 0.000 2.519 357 C HA 0.012 4.472 4.460 -0.000 0.000 0.402 357 C C 1.980 176.917 174.990 -0.089 0.000 1.475 357 C CA -0.317 58.707 59.018 0.010 0.000 1.504 357 C CB -1.413 26.357 27.740 0.051 0.000 2.454 357 C HN 0.855 nan 8.230 nan 0.000 0.615 358 L N 4.870 126.077 121.223 -0.027 0.000 2.217 358 L HA 0.091 4.430 4.340 -0.000 0.000 0.211 358 L C 2.397 179.255 176.870 -0.020 0.000 1.107 358 L CA 1.490 56.328 54.840 -0.003 0.000 0.783 358 L CB -0.330 41.751 42.059 0.036 0.000 0.919 358 L HN 0.931 nan 8.230 nan 0.000 0.442 359 G N -0.735 108.028 108.800 -0.061 0.000 3.314 359 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.238 359 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.238 359 G C 1.257 176.025 174.900 -0.220 0.000 1.184 359 G CA -0.181 44.880 45.100 -0.065 0.000 0.806 359 G HN 0.506 nan 8.290 nan 0.000 0.536 360 Q N -0.413 119.079 119.800 -0.514 0.000 2.167 360 Q HA -0.131 4.208 4.340 -0.000 0.000 0.202 360 Q C 1.679 177.253 176.000 -0.711 0.000 0.970 360 Q CA 0.989 56.146 55.803 -1.077 0.000 0.855 360 Q CB -0.498 27.190 28.738 -1.750 0.000 0.911 360 Q HN 0.509 nan 8.270 nan 0.000 0.438 361 H N 0.639 119.543 119.070 -0.276 0.000 2.357 361 H HA -0.066 4.490 4.556 -0.000 0.000 0.301 361 H C 2.252 177.532 175.328 -0.079 0.000 1.082 361 H CA 1.343 57.303 56.048 -0.145 0.000 1.342 361 H CB -0.146 29.558 29.762 -0.098 0.000 1.389 361 H HN 0.232 nan 8.280 nan 0.000 0.511 362 L N 1.315 122.563 121.223 0.040 0.000 2.017 362 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 362 L C 2.622 179.510 176.870 0.031 0.000 1.073 362 L CA 1.885 56.747 54.840 0.037 0.000 0.745 362 L CB -0.866 41.214 42.059 0.034 0.000 0.894 362 L HN 0.182 nan 8.230 nan 0.000 0.432 363 A N -0.477 122.338 122.820 -0.008 0.000 1.877 363 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 363 A C 2.418 180.064 177.584 0.104 0.000 1.186 363 A CA 1.782 53.855 52.037 0.061 0.000 0.620 363 A CB -0.571 18.492 19.000 0.105 0.000 0.822 363 A HN 0.503 nan 8.150 nan 0.000 0.443 364 R N -1.305 119.229 120.500 0.057 0.000 2.081 364 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 364 R C 2.438 178.813 176.300 0.124 0.000 1.131 364 R CA 1.536 57.694 56.100 0.096 0.000 0.960 364 R CB -0.290 30.040 30.300 0.048 0.000 0.856 364 R HN 0.379 nan 8.270 nan 0.000 0.436 365 R N 1.537 122.103 120.500 0.110 0.000 2.081 365 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 365 R C 1.815 178.231 176.300 0.192 0.000 1.131 365 R CA 1.679 57.856 56.100 0.129 0.000 0.960 365 R CB -0.165 30.197 30.300 0.103 0.000 0.856 365 R HN 0.343 nan 8.270 nan 0.000 0.436 366 E N -0.537 119.796 120.200 0.222 0.000 2.150 366 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 366 E C 1.953 178.809 176.600 0.427 0.000 0.985 366 E CA 1.245 57.870 56.400 0.375 0.000 0.814 366 E CB -0.104 29.752 29.700 0.261 0.000 0.752 366 E HN 0.393 nan 8.360 nan 0.000 0.466 367 I N 0.859 121.617 120.570 0.312 0.000 2.277 367 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 367 I C 2.373 178.629 176.117 0.231 0.000 1.094 367 I CA 0.798 62.287 61.300 0.315 0.000 1.393 367 I CB -0.084 38.108 38.000 0.321 0.000 1.078 367 I HN 0.052 nan 8.210 nan 0.000 0.417 368 I N 0.106 120.788 120.570 0.187 0.000 2.286 368 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 368 I C 2.514 178.707 176.117 0.127 0.000 1.115 368 I CA 1.120 62.498 61.300 0.131 0.000 1.392 368 I CB -0.245 37.818 38.000 0.105 0.000 1.065 368 I HN 0.036 nan 8.210 nan 0.000 0.418 369 V N 0.507 120.519 119.914 0.163 0.000 2.270 369 V HA -0.284 3.836 4.120 -0.000 0.000 0.245 369 V C 2.515 178.665 176.094 0.094 0.000 1.043 369 V CA 2.523 64.907 62.300 0.139 0.000 1.014 369 V CB -0.812 31.137 31.823 0.209 0.000 0.645 369 V HN 0.454 nan 8.190 nan 0.000 0.447 370 T N 0.616 115.236 114.554 0.110 0.000 2.665 370 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 370 T C 1.852 176.593 174.700 0.068 0.000 1.035 370 T CA 1.800 63.936 62.100 0.059 0.000 1.151 370 T CB -0.335 68.638 68.868 0.175 0.000 0.862 370 T HN 0.287 nan 8.240 nan 0.000 0.438 371 L N 0.486 121.762 121.223 0.087 0.000 2.027 371 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 371 L C 2.779 179.699 176.870 0.083 0.000 1.074 371 L CA 1.394 56.279 54.840 0.076 0.000 0.745 371 L CB -0.527 41.576 42.059 0.073 0.000 0.898 371 L HN 0.198 nan 8.230 nan 0.000 0.433 372 K N -0.003 120.438 120.400 0.068 0.000 2.026 372 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 372 K C 2.034 178.657 176.600 0.038 0.000 1.048 372 K CA 1.349 57.666 56.287 0.051 0.000 0.929 372 K CB 0.153 32.680 32.500 0.045 0.000 0.713 372 K HN 0.213 nan 8.250 nan 0.000 0.439 373 E N -0.009 120.212 120.200 0.034 0.000 2.112 373 E HA -0.183 4.167 4.350 -0.000 0.000 0.190 373 E C 1.693 178.271 176.600 -0.037 0.000 0.979 373 E CA 0.617 57.014 56.400 -0.006 0.000 0.814 373 E CB -0.395 29.297 29.700 -0.014 0.000 0.762 373 E HN 0.508 nan 8.360 nan 0.000 0.460 374 W N 1.764 122.941 121.300 -0.205 0.000 2.379 374 W HA -0.100 4.560 4.660 -0.000 0.000 0.307 374 W C 1.791 178.164 176.519 -0.245 0.000 1.200 374 W CA 0.970 58.131 57.345 -0.308 0.000 1.297 374 W CB -0.370 28.842 29.460 -0.413 0.000 1.140 374 W HN 0.011 nan 8.180 nan 0.000 0.507 375 L N 0.384 121.683 121.223 0.127 0.000 2.191 375 L HA -0.222 4.117 4.340 -0.000 0.000 0.212 375 L C 2.346 179.213 176.870 -0.005 0.000 1.103 375 L CA 1.660 56.566 54.840 0.110 0.000 0.769 375 L CB -1.215 40.932 42.059 0.147 0.000 0.908 375 L HN -0.105 nan 8.230 nan 0.000 0.438 376 T N -0.587 113.941 114.554 -0.043 0.000 2.737 376 T HA -0.139 4.211 4.350 -0.000 0.000 0.265 376 T C 2.065 176.697 174.700 -0.113 0.000 1.038 376 T CA 1.306 63.371 62.100 -0.058 0.000 1.144 376 T CB -0.027 68.811 68.868 -0.050 0.000 0.866 376 T HN 0.344 nan 8.240 nan 0.000 0.434 377 R N 0.198 120.574 120.500 -0.208 0.000 2.087 377 R HA 0.298 4.637 4.340 -0.000 0.000 0.216 377 R C 0.637 176.725 176.300 -0.353 0.000 1.114 377 R CA 0.676 56.613 56.100 -0.272 0.000 1.002 377 R CB 0.222 30.317 30.300 -0.343 0.000 0.903 377 R HN 0.321 nan 8.270 nan 0.000 0.445 378 I N 2.535 122.779 120.570 -0.543 0.000 2.697 378 I HA 0.215 4.385 4.170 -0.000 0.000 0.279 378 I C -2.003 173.992 176.117 -0.204 0.000 1.171 378 I CA -1.719 59.212 61.300 -0.614 0.000 1.135 378 I CB 1.663 38.821 38.000 -1.403 0.000 1.445 378 I HN -0.109 nan 8.210 nan 0.000 0.541 379 P HA -0.011 nan 4.420 nan 0.000 0.229 379 P C -0.011 177.405 177.300 0.192 0.000 1.160 379 P CA 0.996 64.160 63.100 0.106 0.000 0.777 379 P CB 0.353 32.078 31.700 0.042 0.000 0.814 380 D N -0.401 120.128 120.400 0.217 0.000 2.602 380 D HA 0.462 5.102 4.640 -0.000 0.000 0.245 380 D C -1.180 175.312 176.300 0.320 0.000 1.325 380 D CA -0.601 53.500 54.000 0.168 0.000 0.952 380 D CB 0.993 41.852 40.800 0.099 0.000 1.317 380 D HN -0.127 nan 8.370 nan 0.000 0.577 381 F N 1.171 121.175 119.950 0.091 0.000 2.713 381 F HA 0.792 5.318 4.527 -0.000 0.000 0.311 381 F C -1.282 174.585 175.800 0.112 0.000 1.141 381 F CA -0.941 57.169 58.000 0.182 0.000 0.939 381 F CB 0.852 39.968 39.000 0.193 0.000 1.325 381 F HN 0.179 nan 8.300 nan 0.000 0.453 382 S N 0.661 116.468 115.700 0.179 0.000 2.656 382 S HA 0.747 5.217 4.470 -0.000 0.000 0.273 382 S C -1.148 173.550 174.600 0.163 0.000 1.168 382 S CA -1.082 57.138 58.200 0.033 0.000 0.817 382 S CB 1.359 64.551 63.200 -0.013 0.000 1.146 382 S HN 0.857 nan 8.310 nan 0.000 0.475 383 I N 1.728 122.338 120.570 0.067 0.000 2.638 383 I HA 0.425 4.595 4.170 -0.000 0.000 0.286 383 I C 1.064 177.227 176.117 0.076 0.000 1.088 383 I CA -0.463 60.885 61.300 0.080 0.000 1.397 383 I CB 0.805 38.825 38.000 0.034 0.000 1.414 383 I HN 0.919 nan 8.210 nan 0.000 0.566 384 A N 7.433 130.302 122.820 0.081 0.000 2.511 384 A HA 0.266 4.586 4.320 -0.000 0.000 0.242 384 A C -2.273 175.333 177.584 0.037 0.000 1.069 384 A CA -0.923 51.148 52.037 0.057 0.000 0.763 384 A CB -0.708 18.322 19.000 0.050 0.000 1.001 384 A HN 0.428 nan 8.150 nan 0.000 0.498 385 P HA 0.270 nan 4.420 nan 0.000 0.262 385 P C 0.943 178.253 177.300 0.017 0.000 1.199 385 P CA 1.821 64.932 63.100 0.018 0.000 0.763 385 P CB 0.584 32.293 31.700 0.014 0.000 0.790 386 G N 2.325 111.135 108.800 0.016 0.000 2.141 386 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.242 386 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.242 386 G C 0.307 175.218 174.900 0.018 0.000 0.982 386 G CA -0.114 44.995 45.100 0.014 0.000 0.662 386 G HN 0.829 nan 8.290 nan 0.000 0.527 387 A N -0.195 122.639 122.820 0.023 0.000 2.309 387 A HA 0.767 5.087 4.320 -0.000 0.000 0.298 387 A C 0.265 177.863 177.584 0.025 0.000 1.165 387 A CA -0.127 51.927 52.037 0.028 0.000 0.821 387 A CB 0.691 19.713 19.000 0.037 0.000 1.102 387 A HN 0.390 nan 8.150 nan 0.000 0.500 388 Q N 2.032 121.847 119.800 0.024 0.000 2.368 388 Q HA 0.324 4.664 4.340 -0.000 0.000 0.263 388 Q C -0.808 175.208 176.000 0.026 0.000 1.009 388 Q CA -0.700 55.115 55.803 0.019 0.000 0.818 388 Q CB 1.304 30.051 28.738 0.015 0.000 1.239 388 Q HN 0.637 nan 8.270 nan 0.000 0.464 389 I N 2.921 123.507 120.570 0.026 0.000 2.533 389 I HA 0.065 4.235 4.170 -0.000 0.000 0.284 389 I C 0.255 176.390 176.117 0.029 0.000 1.109 389 I CA 0.347 61.676 61.300 0.047 0.000 1.412 389 I CB 0.452 38.496 38.000 0.074 0.000 1.396 389 I HN 0.530 nan 8.210 nan 0.000 0.543 390 Q N 5.566 125.415 119.800 0.081 0.000 2.333 390 Q HA 0.419 4.759 4.340 -0.000 0.000 0.267 390 Q C -0.761 175.383 176.000 0.241 0.000 1.012 390 Q CA -0.532 55.325 55.803 0.090 0.000 0.824 390 Q CB 2.193 30.972 28.738 0.069 0.000 1.290 390 Q HN 0.592 nan 8.270 nan 0.000 0.449 391 H N 0.737 119.876 119.070 0.114 0.000 2.499 391 H HA 0.499 5.055 4.556 -0.000 0.000 0.352 391 H C -0.421 174.994 175.328 0.144 0.000 1.237 391 H CA -0.974 55.173 56.048 0.165 0.000 1.343 391 H CB 1.189 31.130 29.762 0.298 0.000 1.578 391 H HN 0.110 nan 8.280 nan 0.000 0.577 392 K N 0.825 121.405 120.400 0.300 0.000 2.469 392 K HA 0.328 4.648 4.320 -0.000 0.000 0.254 392 K C -0.865 175.882 176.600 0.244 0.000 0.939 392 K CA -0.585 55.831 56.287 0.216 0.000 0.812 392 K CB 2.860 35.451 32.500 0.152 0.000 1.301 392 K HN 0.488 nan 8.250 nan 0.000 0.433 393 S N 0.008 115.847 115.700 0.230 0.000 2.621 393 S HA 0.909 5.379 4.470 -0.000 0.000 0.302 393 S C -0.248 174.471 174.600 0.199 0.000 1.093 393 S CA 0.127 58.478 58.200 0.253 0.000 1.017 393 S CB 1.299 64.693 63.200 0.323 0.000 1.077 393 S HN 0.841 nan 8.310 nan 0.000 0.517 394 G N 2.054 110.930 108.800 0.126 0.000 2.360 394 G HA2 0.177 4.136 3.960 -0.000 0.000 0.276 394 G HA3 0.177 4.136 3.960 -0.000 0.000 0.276 394 G C 0.242 175.120 174.900 -0.037 0.000 1.256 394 G CA -0.264 44.854 45.100 0.030 0.000 0.890 394 G HN 0.543 nan 8.290 nan 0.000 0.486 395 I N -0.148 120.416 120.570 -0.009 0.000 2.194 395 I HA -0.032 4.138 4.170 -0.000 0.000 0.246 395 I C 1.139 177.204 176.117 -0.087 0.000 1.093 395 I CA 1.587 62.807 61.300 -0.134 0.000 1.355 395 I CB -1.301 36.574 38.000 -0.208 0.000 1.046 395 I HN 0.102 nan 8.210 nan 0.000 0.413 396 V N 1.036 120.957 119.914 0.012 0.000 2.540 396 V HA 0.337 4.457 4.120 -0.000 0.000 0.302 396 V C 0.074 176.209 176.094 0.068 0.000 1.035 396 V CA -0.608 61.709 62.300 0.027 0.000 0.873 396 V CB 1.879 33.745 31.823 0.072 0.000 0.992 396 V HN 0.129 nan 8.190 nan 0.000 0.428 397 S N 2.208 117.959 115.700 0.086 0.000 2.646 397 S HA 0.883 5.353 4.470 -0.000 0.000 0.276 397 S C 0.365 175.121 174.600 0.260 0.000 1.222 397 S CA -0.132 58.181 58.200 0.189 0.000 1.014 397 S CB 1.826 65.129 63.200 0.172 0.000 0.991 397 S HN 1.147 nan 8.310 nan 0.000 0.533 398 G N -0.250 108.659 108.800 0.181 0.000 2.766 398 G HA2 0.621 4.581 3.960 -0.000 0.000 0.288 398 G HA3 0.621 4.581 3.960 -0.000 0.000 0.288 398 G C -1.619 173.110 174.900 -0.284 0.000 1.408 398 G CA -0.569 44.446 45.100 -0.141 0.000 0.852 398 G HN 0.615 nan 8.290 nan 0.000 0.487 399 V N 0.121 119.771 119.914 -0.441 0.000 2.513 399 V HA 0.343 4.463 4.120 -0.000 0.000 0.299 399 V C 1.178 177.227 176.094 -0.075 0.000 1.035 399 V CA -0.351 61.795 62.300 -0.256 0.000 0.889 399 V CB 1.564 33.148 31.823 -0.399 0.000 0.988 399 V HN 0.945 nan 8.190 nan 0.000 0.440 400 Q N 2.672 122.487 119.800 0.024 0.000 2.083 400 Q HA 0.278 4.618 4.340 -0.000 0.000 0.198 400 Q C 0.536 176.554 176.000 0.030 0.000 0.969 400 Q CA 1.389 57.214 55.803 0.036 0.000 0.838 400 Q CB 0.371 29.146 28.738 0.062 0.000 0.900 400 Q HN 0.978 nan 8.270 nan 0.000 0.436 401 A N -0.223 122.620 122.820 0.038 0.000 2.594 401 A HA 0.534 4.853 4.320 -0.000 0.000 0.296 401 A C -2.090 175.530 177.584 0.059 0.000 1.061 401 A CA -0.657 51.411 52.037 0.051 0.000 0.689 401 A CB 1.353 20.385 19.000 0.054 0.000 1.280 401 A HN 0.171 nan 8.150 nan 0.000 0.406 402 L N 2.508 123.782 121.223 0.085 0.000 2.490 402 L HA 0.545 4.885 4.340 -0.000 0.000 0.256 402 L C -2.774 174.179 176.870 0.138 0.000 1.089 402 L CA -1.463 53.431 54.840 0.090 0.000 0.916 402 L CB 1.717 43.807 42.059 0.052 0.000 1.188 402 L HN 0.342 nan 8.230 nan 0.000 0.476 403 P HA 0.267 nan 4.420 nan 0.000 0.275 403 P C -0.884 176.512 177.300 0.160 0.000 1.276 403 P CA 0.205 63.382 63.100 0.128 0.000 0.782 403 P CB 0.551 32.302 31.700 0.085 0.000 0.851 404 L N 3.847 125.220 121.223 0.249 0.000 2.334 404 L HA 0.762 5.102 4.340 -0.000 0.000 0.272 404 L C 0.373 177.443 176.870 0.333 0.000 1.020 404 L CA -1.167 53.897 54.840 0.373 0.000 0.812 404 L CB 1.819 44.207 42.059 0.549 0.000 1.264 404 L HN 0.149 nan 8.230 nan 0.000 0.439 405 V N -1.343 118.796 119.914 0.375 0.000 3.049 405 V HA 0.797 4.917 4.120 -0.000 0.000 0.309 405 V C -1.612 174.724 176.094 0.403 0.000 1.148 405 V CA -0.654 61.740 62.300 0.156 0.000 0.990 405 V CB 1.694 33.553 31.823 0.060 0.000 1.039 405 V HN 0.992 nan 8.190 nan 0.000 0.430 406 W N 0.651 122.020 121.300 0.115 0.000 3.059 406 W HA 0.731 5.390 4.660 -0.000 0.000 0.329 406 W C -1.842 174.713 176.519 0.061 0.000 1.246 406 W CA -0.642 56.771 57.345 0.114 0.000 1.190 406 W CB 0.961 30.518 29.460 0.162 0.000 1.423 406 W HN 0.673 nan 8.180 nan 0.000 0.571 407 D N 2.182 122.729 120.400 0.244 0.000 2.313 407 D HA 0.349 4.989 4.640 -0.000 0.000 0.239 407 D C -1.497 174.925 176.300 0.203 0.000 1.142 407 D CA -2.426 51.646 54.000 0.120 0.000 0.847 407 D CB 1.973 42.836 40.800 0.104 0.000 1.082 407 D HN 0.073 nan 8.370 nan 0.000 0.480 408 P HA -0.110 nan 4.420 nan 0.000 0.218 408 P C 0.825 178.194 177.300 0.116 0.000 1.146 408 P CA 1.097 64.287 63.100 0.150 0.000 0.813 408 P CB 0.239 31.965 31.700 0.044 0.000 0.778 409 A N -0.715 122.153 122.820 0.080 0.000 2.121 409 A HA -0.100 4.219 4.320 -0.000 0.000 0.218 409 A C 1.963 179.583 177.584 0.059 0.000 1.154 409 A CA 1.899 53.969 52.037 0.055 0.000 0.679 409 A CB -1.486 17.537 19.000 0.039 0.000 0.795 409 A HN 0.342 nan 8.150 nan 0.000 0.458 410 T N -2.774 111.833 114.554 0.088 0.000 3.086 410 T HA 0.143 4.492 4.350 -0.000 0.000 0.250 410 T C 0.926 175.657 174.700 0.052 0.000 1.074 410 T CA 0.631 62.775 62.100 0.073 0.000 0.988 410 T CB -0.787 68.137 68.868 0.094 0.000 0.988 410 T HN 0.478 nan 8.240 nan 0.000 0.530 411 T N 0.413 115.002 114.554 0.060 0.000 2.788 411 T HA 0.523 4.873 4.350 -0.000 0.000 0.280 411 T C -0.534 174.154 174.700 -0.021 0.000 0.984 411 T CA -0.793 61.301 62.100 -0.009 0.000 0.972 411 T CB 0.970 69.840 68.868 0.003 0.000 1.039 411 T HN 0.261 nan 8.240 nan 0.000 0.530 412 K N 0.470 120.835 120.400 -0.058 0.000 2.541 412 K HA 0.603 4.923 4.320 -0.000 0.000 0.250 412 K C -0.903 175.657 176.600 -0.067 0.000 0.950 412 K CA -0.839 55.420 56.287 -0.048 0.000 0.805 412 K CB 2.320 34.794 32.500 -0.044 0.000 1.166 412 K HN 0.836 nan 8.250 nan 0.000 0.430 413 A N 2.752 125.544 122.820 -0.046 0.000 2.363 413 A HA 0.580 4.900 4.320 -0.000 0.000 0.270 413 A C -0.085 177.474 177.584 -0.040 0.000 1.121 413 A CA -0.353 51.655 52.037 -0.047 0.000 0.800 413 A CB 0.574 19.557 19.000 -0.029 0.000 1.052 413 A HN 0.426 nan 8.150 nan 0.000 0.493 414 V N 0.000 119.887 119.914 -0.044 0.000 2.409 414 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 414 V CA 0.000 62.281 62.300 -0.032 0.000 1.235 414 V CB 0.000 31.801 31.823 -0.037 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556