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 2rc9_1_A DATA FIRST_RESID 4 DATA SEQUENCE KLHLRVVTLI EHPFVFTREV DDEGLcPAGQ LCLDPMTNDS SMLDRLFSSL DATA SEQUENCE HSSNDTVPIK FKKcCYGYCI DLLEQLAEDM NFDFDLYIVG DGKYGAWKNG DATA SEQUENCE HWTGLVGDLL SGTANMAVTS FSINTARSQV IDFTSPFFST SLGILVRTRG DATA SEQUENCE TELSGIHDPK LHHPSQGFRF GTVRESSAED YVRQSFPEMH EYMRRYNVPA DATA SEQUENCE TPDGVQYLKN DPEKLDAFIM DKALLDYEVS IDADCKLLTV GKPFAIEGYG DATA SEQUENCE IGLPPNSPLT SNISELISQY KSHGFMDVLH DKWYKVV 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.666 176.600 0.110 0.000 0.988 4 K CA 0.000 56.337 56.287 0.084 0.000 0.838 4 K CB 0.000 32.541 32.500 0.069 0.000 1.064 5 L N 3.287 124.598 121.223 0.145 0.000 2.452 5 L HA 0.299 3.851 4.340 -1.313 0.000 0.267 5 L C 0.111 177.098 176.870 0.194 0.000 1.188 5 L CA -0.433 54.492 54.840 0.141 0.000 0.821 5 L CB 0.558 42.679 42.059 0.104 0.000 1.102 5 L HN 0.658 nan 8.230 nan 0.000 0.470 6 H N 2.386 121.490 119.070 0.055 0.000 2.505 6 H HA 0.594 4.362 4.556 -1.315 0.000 0.338 6 H C -1.146 174.185 175.328 0.005 0.000 1.057 6 H CA -0.467 55.612 56.048 0.052 0.000 1.202 6 H CB 1.126 30.891 29.762 0.006 0.000 1.466 6 H HN 0.343 nan 8.280 nan 0.000 0.499 7 L N 4.895 125.974 121.223 -0.241 0.000 2.365 7 L HA 0.490 4.042 4.340 -1.313 0.000 0.273 7 L C -0.163 176.622 176.870 -0.142 0.000 1.000 7 L CA -0.932 53.799 54.840 -0.182 0.000 0.819 7 L CB 2.068 43.910 42.059 -0.362 0.000 1.284 7 L HN 0.518 nan 8.230 nan 0.000 0.418 8 R N 2.171 122.654 120.500 -0.028 0.000 2.221 8 R HA 0.565 4.117 4.340 -1.313 0.000 0.327 8 R C -1.322 175.009 176.300 0.051 0.000 1.033 8 R CA -0.408 55.702 56.100 0.017 0.000 0.887 8 R CB 1.127 31.471 30.300 0.073 0.000 1.057 8 R HN 0.445 nan 8.270 nan 0.000 0.455 9 V N 5.739 125.680 119.914 0.045 0.000 2.398 9 V HA 0.289 3.621 4.120 -1.313 0.000 0.286 9 V C -0.267 175.723 176.094 -0.173 0.000 1.026 9 V CA -0.795 61.470 62.300 -0.059 0.000 0.868 9 V CB 1.520 33.270 31.823 -0.121 0.000 0.982 9 V HN 0.568 nan 8.190 nan 0.000 0.443 10 V N 4.872 124.579 119.914 -0.346 0.000 2.481 10 V HA 0.742 4.074 4.120 -1.313 0.000 0.286 10 V C 0.152 175.955 176.094 -0.486 0.000 1.042 10 V CA 0.495 62.342 62.300 -0.755 0.000 0.928 10 V CB 1.931 33.315 31.823 -0.733 0.000 0.986 10 V HN 1.063 nan 8.190 nan 0.000 0.462 11 T N 5.578 119.841 114.554 -0.485 0.000 2.742 11 T HA 0.676 4.239 4.350 -1.313 0.000 0.282 11 T C -1.480 172.996 174.700 -0.374 0.000 1.025 11 T CA -0.587 61.300 62.100 -0.356 0.000 1.020 11 T CB 1.517 70.239 68.868 -0.243 0.000 1.317 11 T HN 0.789 nan 8.240 nan 0.000 0.538 12 L N 2.035 123.045 121.223 -0.354 0.000 2.493 12 L HA 0.585 4.138 4.340 -1.313 0.000 0.265 12 L C -1.306 175.381 176.870 -0.306 0.000 0.954 12 L CA -1.046 53.558 54.840 -0.393 0.000 0.844 12 L CB 1.625 43.295 42.059 -0.649 0.000 1.302 12 L HN 0.530 nan 8.230 nan 0.000 0.405 13 I N 3.539 123.959 120.570 -0.250 0.000 2.436 13 I HA 0.320 3.702 4.170 -1.313 0.000 0.289 13 I C -0.133 175.843 176.117 -0.234 0.000 1.083 13 I CA 0.207 61.385 61.300 -0.203 0.000 1.372 13 I CB 0.475 38.391 38.000 -0.140 0.000 1.408 13 I HN 0.580 nan 8.210 nan 0.000 0.516 14 E N 5.390 125.453 120.200 -0.228 0.000 2.367 14 E HA 0.308 3.870 4.350 -1.313 0.000 0.292 14 E C -1.071 175.378 176.600 -0.252 0.000 0.900 14 E CA -0.451 55.829 56.400 -0.200 0.000 0.807 14 E CB 0.915 30.587 29.700 -0.047 0.000 1.337 14 E HN 0.552 nan 8.360 nan 0.000 0.394 15 H N 4.608 123.366 119.070 -0.519 0.000 2.652 15 H HA 0.216 3.981 4.556 -1.318 0.000 0.349 15 H C -1.658 173.206 175.328 -0.774 0.000 1.099 15 H CA -1.920 53.553 56.048 -0.958 0.000 1.417 15 H CB 1.080 30.385 29.762 -0.761 0.000 1.457 15 H HN 0.337 nan 8.280 nan 0.000 0.568 16 P HA 0.049 nan 4.420 nan 0.000 0.254 16 P C 0.037 176.744 177.300 -0.988 0.000 1.620 16 P CA 0.121 62.493 63.100 -1.214 0.000 1.050 16 P CB -0.071 30.836 31.700 -1.322 0.000 1.539 17 F N 0.007 119.599 119.950 -0.598 0.000 2.270 17 F HA 0.047 3.783 4.527 -1.319 0.000 0.295 17 F C 1.167 176.709 175.800 -0.430 0.000 1.087 17 F CA 0.918 58.657 58.000 -0.436 0.000 1.365 17 F CB 0.178 38.968 39.000 -0.349 0.000 1.056 17 F HN -0.265 nan 8.300 nan 0.000 0.506 18 V N -0.318 119.386 119.914 -0.351 0.000 2.752 18 V HA 0.327 3.660 4.120 -1.313 0.000 0.302 18 V C -1.073 174.756 176.094 -0.442 0.000 1.133 18 V CA -1.067 61.043 62.300 -0.317 0.000 0.919 18 V CB 1.959 33.659 31.823 -0.204 0.000 1.026 18 V HN -0.148 nan 8.190 nan 0.000 0.429 19 F N 1.281 120.912 119.950 -0.532 0.000 2.611 19 F HA 0.870 4.609 4.527 -1.314 0.000 0.324 19 F C 0.519 175.999 175.800 -0.533 0.000 1.061 19 F CA -0.657 56.975 58.000 -0.613 0.000 0.954 19 F CB 2.463 40.666 39.000 -1.330 0.000 1.301 19 F HN 0.555 nan 8.300 nan 0.000 0.482 20 T N -0.838 113.693 114.554 -0.037 0.000 2.907 20 T HA 0.887 4.449 4.350 -1.313 0.000 0.292 20 T C -0.792 174.039 174.700 0.219 0.000 1.043 20 T CA -1.027 61.116 62.100 0.072 0.000 1.003 20 T CB 2.532 71.448 68.868 0.079 0.000 1.084 20 T HN 0.875 nan 8.240 nan 0.000 0.483 21 R N 0.147 120.814 120.500 0.278 0.000 2.831 21 R HA 0.700 4.253 4.340 -1.313 0.000 0.266 21 R C -1.108 175.286 176.300 0.156 0.000 1.051 21 R CA -1.126 55.113 56.100 0.232 0.000 0.943 21 R CB 0.848 31.307 30.300 0.265 0.000 1.228 21 R HN 0.420 nan 8.270 nan 0.000 0.467 22 E N 1.312 121.581 120.200 0.114 0.000 2.390 22 E HA 0.114 3.677 4.350 -1.313 0.000 0.261 22 E C 0.458 177.105 176.600 0.078 0.000 1.076 22 E CA -0.335 56.117 56.400 0.085 0.000 0.905 22 E CB 0.950 30.688 29.700 0.063 0.000 0.984 22 E HN 0.478 nan 8.360 nan 0.000 0.427 23 V N -0.434 119.521 119.914 0.068 0.000 3.139 23 V HA 0.024 3.357 4.120 -1.313 0.000 0.307 23 V C 0.586 176.704 176.094 0.039 0.000 1.095 23 V CA -0.700 61.634 62.300 0.057 0.000 1.160 23 V CB 0.404 32.258 31.823 0.052 0.000 1.003 23 V HN 0.679 nan 8.190 nan 0.000 0.489 24 D N 1.129 121.548 120.400 0.031 0.000 2.447 24 D HA 0.069 3.922 4.640 -1.313 0.000 0.265 24 D C 0.641 176.950 176.300 0.015 0.000 1.250 24 D CA -0.160 53.851 54.000 0.019 0.000 1.046 24 D CB 0.386 41.193 40.800 0.012 0.000 1.095 24 D HN 0.624 nan 8.370 nan 0.000 0.555 25 D N -1.364 119.042 120.400 0.009 0.000 2.384 25 D HA -0.106 3.746 4.640 -1.313 0.000 0.222 25 D C 0.823 177.127 176.300 0.006 0.000 0.976 25 D CA 0.870 54.874 54.000 0.006 0.000 0.915 25 D CB 0.163 40.965 40.800 0.003 0.000 0.896 25 D HN 0.475 nan 8.370 nan 0.000 0.523 26 E N -1.824 118.381 120.200 0.008 0.000 2.526 26 E HA 0.262 3.825 4.350 -1.313 0.000 0.208 26 E C 1.066 177.673 176.600 0.012 0.000 0.997 26 E CA 0.327 56.731 56.400 0.008 0.000 0.961 26 E CB 0.944 30.649 29.700 0.008 0.000 1.030 26 E HN 0.193 nan 8.360 nan 0.000 0.483 27 G N 1.211 110.020 108.800 0.015 0.000 2.141 27 G HA2 -0.189 2.983 3.960 -1.313 0.000 0.231 27 G HA3 -0.189 2.983 3.960 -1.313 0.000 0.231 27 G C 0.032 174.949 174.900 0.028 0.000 0.984 27 G CA -0.026 45.085 45.100 0.019 0.000 0.660 27 G HN 0.061 nan 8.290 nan 0.000 0.525 28 L N -1.108 120.133 121.223 0.030 0.000 2.293 28 L HA 0.786 4.339 4.340 -1.313 0.000 0.264 28 L C 0.521 177.418 176.870 0.044 0.000 1.029 28 L CA -1.000 53.863 54.840 0.038 0.000 0.897 28 L CB 1.247 43.325 42.059 0.032 0.000 1.497 28 L HN 0.160 nan 8.230 nan 0.000 0.495 29 c N 1.251 119.881 118.600 0.051 0.000 3.335 29 c HA 0.283 4.065 4.570 -1.313 0.000 0.217 29 c C -1.092 173.025 174.090 0.045 0.000 1.330 29 c CA -0.671 55.694 56.329 0.059 0.000 1.470 29 c CB 0.125 42.690 42.510 0.092 0.000 1.806 29 c HN 0.602 nan 8.230 nan 0.000 0.468 30 P HA -0.170 nan 4.420 nan 0.000 0.214 30 P C 1.229 178.537 177.300 0.013 0.000 1.169 30 P CA 1.822 64.928 63.100 0.011 0.000 0.908 30 P CB 0.258 31.954 31.700 -0.007 0.000 0.791 31 A N -1.665 121.153 122.820 -0.003 0.000 2.460 31 A HA 0.546 4.078 4.320 -1.313 0.000 0.258 31 A C 0.931 178.546 177.584 0.052 0.000 1.300 31 A CA 0.479 52.516 52.037 0.000 0.000 0.913 31 A CB -0.455 18.510 19.000 -0.058 0.000 1.031 31 A HN 0.327 nan 8.150 nan 0.000 0.512 32 G N -1.389 107.465 108.800 0.089 0.000 3.021 32 G HA2 0.531 3.704 3.960 -1.313 0.000 0.290 32 G HA3 0.531 3.704 3.960 -1.313 0.000 0.290 32 G C -1.469 173.533 174.900 0.169 0.000 1.291 32 G CA -0.309 44.891 45.100 0.168 0.000 0.834 32 G HN -0.012 nan 8.290 nan 0.000 0.564 33 Q N 0.235 120.158 119.800 0.205 0.000 2.333 33 Q HA 0.367 3.919 4.340 -1.313 0.000 0.268 33 Q C -0.786 175.332 176.000 0.196 0.000 1.007 33 Q CA -0.837 55.093 55.803 0.213 0.000 0.810 33 Q CB 2.248 31.172 28.738 0.310 0.000 1.264 33 Q HN 0.444 nan 8.270 nan 0.000 0.452 34 L N 3.964 125.286 121.223 0.163 0.000 2.578 34 L HA 0.019 3.572 4.340 -1.313 0.000 0.279 34 L C -0.186 176.815 176.870 0.218 0.000 1.227 34 L CA 0.404 55.343 54.840 0.164 0.000 0.900 34 L CB -0.074 42.066 42.059 0.135 0.000 1.144 34 L HN 0.845 nan 8.230 nan 0.000 0.496 35 C N 4.195 123.622 119.300 0.212 0.000 3.154 35 C HA 0.723 4.396 4.460 -1.313 0.000 0.312 35 C C -0.507 174.613 174.990 0.217 0.000 1.349 35 C CA -1.502 57.673 59.018 0.261 0.000 1.518 35 C CB 0.967 28.833 27.740 0.210 0.000 1.934 35 C HN 0.780 nan 8.230 nan 0.000 0.462 36 L N 1.301 122.670 121.223 0.244 0.000 2.334 36 L HA 0.509 4.061 4.340 -1.313 0.000 0.276 36 L C -0.733 176.191 176.870 0.091 0.000 1.014 36 L CA 0.143 55.040 54.840 0.094 0.000 0.815 36 L CB 1.648 43.618 42.059 -0.148 0.000 1.268 36 L HN 0.819 nan 8.230 nan 0.000 0.428 37 D N 3.112 123.526 120.400 0.023 0.000 2.607 37 D HA 0.247 4.099 4.640 -1.313 0.000 0.318 37 D C -1.888 174.259 176.300 -0.254 0.000 1.212 37 D CA -1.515 52.470 54.000 -0.025 0.000 0.861 37 D CB 0.993 41.819 40.800 0.043 0.000 1.064 37 D HN 0.168 nan 8.370 nan 0.000 0.500 38 P HA 0.101 nan 4.420 nan 0.000 0.261 38 P C 0.111 177.018 177.300 -0.655 0.000 1.268 38 P CA -0.036 62.392 63.100 -1.119 0.000 0.833 38 P CB 0.044 31.238 31.700 -0.844 0.000 1.231 39 M N -0.372 119.047 119.600 -0.300 0.000 2.350 39 M HA -0.135 3.557 4.480 -1.313 0.000 0.190 39 M C -0.235 175.982 176.300 -0.139 0.000 0.710 39 M CA 1.047 56.255 55.300 -0.155 0.000 0.495 39 M CB -2.965 29.570 32.600 -0.110 0.000 1.136 39 M HN 0.144 nan 8.290 nan 0.000 0.901 40 T N 0.340 114.820 114.554 -0.122 0.000 2.894 40 T HA 0.634 4.196 4.350 -1.313 0.000 0.309 40 T C 0.494 175.159 174.700 -0.058 0.000 1.208 40 T CA -0.183 61.854 62.100 -0.105 0.000 1.016 40 T CB 1.118 69.892 68.868 -0.156 0.000 1.192 40 T HN 0.559 nan 8.240 nan 0.000 0.491 41 N N 1.766 120.442 118.700 -0.040 0.000 2.234 41 N HA 0.181 4.133 4.740 -1.313 0.000 0.227 41 N C -0.537 174.950 175.510 -0.038 0.000 1.151 41 N CA -0.421 52.622 53.050 -0.012 0.000 0.865 41 N CB 0.186 38.685 38.487 0.020 0.000 1.066 41 N HN 0.618 nan 8.380 nan 0.000 0.515 42 D N -0.429 119.930 120.400 -0.069 0.000 2.313 42 D HA 0.215 4.067 4.640 -1.313 0.000 0.239 42 D C 0.819 177.071 176.300 -0.081 0.000 1.142 42 D CA -0.287 53.676 54.000 -0.063 0.000 0.847 42 D CB 1.307 42.072 40.800 -0.057 0.000 1.082 42 D HN -0.000 nan 8.370 nan 0.000 0.480 43 S N 2.184 117.851 115.700 -0.055 0.000 2.370 43 S HA -0.176 3.507 4.470 -1.313 0.000 0.226 43 S C 1.848 176.425 174.600 -0.038 0.000 1.033 43 S CA 1.608 59.778 58.200 -0.050 0.000 1.011 43 S CB -0.074 63.115 63.200 -0.018 0.000 0.852 43 S HN 0.573 nan 8.310 nan 0.000 0.457 44 S N 1.103 116.786 115.700 -0.028 0.000 2.382 44 S HA -0.062 3.621 4.470 -1.313 0.000 0.228 44 S C 1.867 176.450 174.600 -0.028 0.000 1.027 44 S CA 1.362 59.551 58.200 -0.019 0.000 0.991 44 S CB -0.366 62.825 63.200 -0.015 0.000 0.823 44 S HN 0.532 nan 8.310 nan 0.000 0.469 45 M N 0.878 120.449 119.600 -0.050 0.000 2.175 45 M HA -0.031 3.661 4.480 -1.313 0.000 0.264 45 M C 1.726 177.970 176.300 -0.094 0.000 1.063 45 M CA 1.338 56.599 55.300 -0.065 0.000 1.119 45 M CB -0.325 32.228 32.600 -0.079 0.000 1.377 45 M HN 0.304 nan 8.290 nan 0.000 0.415 46 L N -0.285 120.870 121.223 -0.114 0.000 2.056 46 L HA -0.231 3.321 4.340 -1.313 0.000 0.207 46 L C 1.922 178.833 176.870 0.068 0.000 1.078 46 L CA 0.959 55.738 54.840 -0.102 0.000 0.749 46 L CB -0.921 41.040 42.059 -0.163 0.000 0.901 46 L HN 0.227 nan 8.230 nan 0.000 0.433 47 D N 0.041 120.478 120.400 0.061 0.000 2.116 47 D HA -0.233 3.619 4.640 -1.313 0.000 0.193 47 D C 2.228 178.575 176.300 0.078 0.000 0.998 47 D CA 1.252 55.309 54.000 0.095 0.000 0.836 47 D CB -0.147 40.681 40.800 0.047 0.000 0.951 47 D HN 0.069 nan 8.370 nan 0.000 0.449 48 R N 0.526 121.039 120.500 0.022 0.000 2.081 48 R HA -0.003 3.549 4.340 -1.313 0.000 0.235 48 R C 2.341 178.632 176.300 -0.014 0.000 1.131 48 R CA 0.883 56.987 56.100 0.007 0.000 0.960 48 R CB -0.658 29.638 30.300 -0.008 0.000 0.856 48 R HN 0.198 nan 8.270 nan 0.000 0.436 49 L N -0.793 120.386 121.223 -0.073 0.000 2.027 49 L HA -0.116 3.437 4.340 -1.313 0.000 0.206 49 L C 2.108 178.856 176.870 -0.203 0.000 1.074 49 L CA 1.255 55.993 54.840 -0.169 0.000 0.745 49 L CB -0.456 41.422 42.059 -0.302 0.000 0.898 49 L HN 0.148 nan 8.230 nan 0.000 0.433 50 F N -0.401 119.536 119.950 -0.020 0.000 2.146 50 F HA -0.190 3.512 4.527 -1.375 0.000 0.298 50 F C 2.991 178.787 175.800 -0.006 0.000 1.096 50 F CA 1.466 59.446 58.000 -0.035 0.000 1.275 50 F CB -0.887 38.154 39.000 0.069 0.000 1.008 50 F HN 0.009 nan 8.300 nan 0.000 0.480 51 S N -0.836 114.989 115.700 0.208 0.000 2.372 51 S HA -0.287 3.396 4.470 -1.313 0.000 0.227 51 S C 2.484 177.136 174.600 0.087 0.000 1.044 51 S CA 1.980 60.266 58.200 0.143 0.000 1.050 51 S CB -0.781 62.470 63.200 0.084 0.000 0.901 51 S HN 0.365 nan 8.310 nan 0.000 0.447 52 S N 0.216 115.934 115.700 0.030 0.000 2.355 52 S HA -0.052 3.630 4.470 -1.313 0.000 0.222 52 S C 1.814 176.404 174.600 -0.017 0.000 1.031 52 S CA 1.274 59.476 58.200 0.002 0.000 0.993 52 S CB -0.707 62.481 63.200 -0.020 0.000 0.859 52 S HN 0.477 nan 8.310 nan 0.000 0.453 53 L N 1.809 122.986 121.223 -0.077 0.000 2.051 53 L HA -0.134 3.419 4.340 -1.313 0.000 0.214 53 L C 1.809 178.606 176.870 -0.121 0.000 1.076 53 L CA 2.027 56.780 54.840 -0.145 0.000 0.758 53 L CB -0.701 41.208 42.059 -0.251 0.000 0.890 53 L HN 0.459 nan 8.230 nan 0.000 0.433 54 H N -1.694 117.429 119.070 0.088 0.000 2.539 54 H HA 0.311 4.078 4.556 -1.316 0.000 0.269 54 H C 1.025 176.374 175.328 0.035 0.000 0.980 54 H CA 0.543 56.630 56.048 0.065 0.000 1.152 54 H CB -0.147 29.652 29.762 0.062 0.000 1.407 54 H HN 0.436 nan 8.280 nan 0.000 0.564 55 S N -0.358 115.412 115.700 0.118 0.000 2.747 55 S HA 0.424 4.107 4.470 -1.313 0.000 0.300 55 S C 0.302 174.930 174.600 0.048 0.000 1.121 55 S CA -0.816 57.428 58.200 0.073 0.000 0.995 55 S CB 2.174 65.405 63.200 0.052 0.000 1.113 55 S HN 0.063 nan 8.310 nan 0.000 0.547 56 S N 1.923 117.643 115.700 0.034 0.000 2.568 56 S HA 0.251 3.934 4.470 -1.313 0.000 0.282 56 S C 0.285 174.894 174.600 0.016 0.000 1.338 56 S CA 0.035 58.248 58.200 0.021 0.000 1.045 56 S CB -0.469 62.740 63.200 0.016 0.000 0.873 56 S HN 0.939 nan 8.310 nan 0.000 0.516 57 N N 1.679 120.385 118.700 0.009 0.000 2.648 57 N HA -0.173 3.779 4.740 -1.313 0.000 0.265 57 N C -1.253 174.257 175.510 -0.001 0.000 1.100 57 N CA 0.291 53.342 53.050 0.002 0.000 0.715 57 N CB -0.976 37.511 38.487 0.001 0.000 0.881 57 N HN 0.687 nan 8.380 nan 0.000 0.548 58 D N 0.431 120.829 120.400 -0.002 0.000 2.346 58 D HA 0.133 3.985 4.640 -1.313 0.000 0.260 58 D C 0.876 177.163 176.300 -0.022 0.000 1.252 58 D CA 0.696 54.689 54.000 -0.012 0.000 0.895 58 D CB 0.233 41.027 40.800 -0.010 0.000 1.097 58 D HN 0.410 nan 8.370 nan 0.000 0.489 59 T N 0.266 114.803 114.554 -0.029 0.000 3.228 59 T HA 0.183 3.745 4.350 -1.313 0.000 0.278 59 T C 0.571 175.238 174.700 -0.055 0.000 1.014 59 T CA -0.545 61.531 62.100 -0.039 0.000 0.904 59 T CB -0.247 68.601 68.868 -0.033 0.000 1.110 59 T HN 0.075 nan 8.240 nan 0.000 0.541 60 V N 3.853 123.735 119.914 -0.055 0.000 2.540 60 V HA 0.183 3.515 4.120 -1.313 0.000 0.297 60 V C -1.992 174.032 176.094 -0.117 0.000 1.024 60 V CA -1.381 60.883 62.300 -0.060 0.000 1.105 60 V CB 0.090 31.884 31.823 -0.048 0.000 0.938 60 V HN 0.358 nan 8.190 nan 0.000 0.482 61 P HA 0.094 nan 4.420 nan 0.000 0.261 61 P C 1.018 178.120 177.300 -0.329 0.000 1.183 61 P CA 0.233 63.099 63.100 -0.390 0.000 0.761 61 P CB 0.378 31.597 31.700 -0.802 0.000 0.785 62 I N 3.652 124.102 120.570 -0.200 0.000 2.315 62 I HA -0.330 3.053 4.170 -1.313 0.000 0.251 62 I C 2.210 178.274 176.117 -0.088 0.000 1.125 62 I CA 1.580 62.815 61.300 -0.108 0.000 1.392 62 I CB -0.572 37.385 38.000 -0.072 0.000 1.065 62 I HN 0.463 nan 8.210 nan 0.000 0.424 63 K N 0.631 120.935 120.400 -0.161 0.000 2.280 63 K HA -0.152 3.380 4.320 -1.313 0.000 0.202 63 K C 1.607 178.275 176.600 0.115 0.000 1.047 63 K CA 1.429 57.680 56.287 -0.061 0.000 0.942 63 K CB -0.426 32.014 32.500 -0.100 0.000 0.739 63 K HN 0.181 nan 8.250 nan 0.000 0.457 64 F N 2.064 122.000 119.950 -0.024 0.000 2.710 64 F HA 0.178 3.935 4.527 -1.285 0.000 0.298 64 F C 0.532 176.322 175.800 -0.018 0.000 1.137 64 F CA -0.163 57.818 58.000 -0.031 0.000 1.444 64 F CB -0.314 38.644 39.000 -0.069 0.000 1.111 64 F HN -0.130 nan 8.300 nan 0.000 0.580 65 K N 1.636 122.129 120.400 0.155 0.000 2.234 65 K HA 0.355 3.887 4.320 -1.313 0.000 0.282 65 K C 0.151 176.814 176.600 0.105 0.000 1.039 65 K CA -0.389 55.962 56.287 0.107 0.000 0.928 65 K CB 1.339 33.877 32.500 0.064 0.000 1.039 65 K HN -0.177 nan 8.250 nan 0.000 0.470 66 K N 1.187 121.655 120.400 0.114 0.000 2.509 66 K HA 0.393 3.926 4.320 -1.313 0.000 0.266 66 K C -1.040 175.640 176.600 0.133 0.000 0.987 66 K CA -0.724 55.633 56.287 0.117 0.000 0.868 66 K CB 1.925 34.493 32.500 0.114 0.000 1.421 66 K HN 0.585 nan 8.250 nan 0.000 0.444 67 c N 1.084 119.776 118.600 0.153 0.000 2.303 67 c HA 0.433 4.216 4.570 -1.313 0.000 0.326 67 c C 0.611 174.843 174.090 0.237 0.000 1.285 67 c CA -0.813 55.629 56.329 0.188 0.000 1.675 67 c CB 0.133 42.752 42.510 0.181 0.000 2.289 67 c HN 0.633 nan 8.230 nan 0.000 0.512 68 C N 3.667 123.093 119.300 0.210 0.000 2.370 68 C HA 0.833 4.505 4.460 -1.313 0.000 0.354 68 C C -0.367 174.775 174.990 0.253 0.000 1.218 68 C CA -0.063 59.046 59.018 0.152 0.000 2.154 68 C CB -0.256 27.542 27.740 0.098 0.000 2.391 68 C HN 0.919 nan 8.230 nan 0.000 0.540 69 Y N 0.762 121.110 120.300 0.080 0.000 2.656 69 Y HA 0.853 4.620 4.550 -1.305 0.000 0.334 69 Y C -0.251 175.599 175.900 -0.082 0.000 1.179 69 Y CA -0.210 57.916 58.100 0.042 0.000 1.050 69 Y CB 0.934 39.450 38.460 0.094 0.000 1.308 69 Y HN 1.183 nan 8.280 nan 0.000 0.456 70 G N 0.047 108.626 108.800 -0.369 0.000 2.369 70 G HA2 -0.063 3.109 3.960 -1.313 0.000 0.307 70 G HA3 -0.063 3.109 3.960 -1.313 0.000 0.307 70 G C -0.856 173.221 174.900 -1.372 0.000 1.327 70 G CA -0.385 43.986 45.100 -1.216 0.000 0.963 70 G HN 1.202 nan 8.290 nan 0.000 0.590 71 Y N -0.208 119.055 120.300 -1.729 0.000 2.114 71 Y HA -0.204 3.556 4.550 -1.318 0.000 0.282 71 Y C 3.040 178.707 175.900 -0.388 0.000 1.165 71 Y CA 3.041 60.526 58.100 -1.025 0.000 1.148 71 Y CB -0.218 37.838 38.460 -0.672 0.000 0.972 71 Y HN 0.546 nan 8.280 nan 0.000 0.504 72 C N 0.030 119.364 119.300 0.058 0.000 2.432 72 C HA -0.121 3.552 4.460 -1.313 0.000 0.280 72 C C 2.536 177.472 174.990 -0.089 0.000 1.353 72 C CA 0.375 59.400 59.018 0.011 0.000 1.766 72 C CB -1.230 26.510 27.740 0.000 0.000 1.924 72 C HN 0.601 nan 8.230 nan 0.000 0.509 73 I N 1.078 121.582 120.570 -0.111 0.000 2.333 73 I HA -0.068 3.314 4.170 -1.313 0.000 0.246 73 I C 2.086 178.209 176.117 0.010 0.000 1.106 73 I CA 1.531 62.802 61.300 -0.049 0.000 1.411 73 I CB -1.514 36.488 38.000 0.004 0.000 1.082 73 I HN 0.270 nan 8.210 nan 0.000 0.420 74 D N 0.969 121.382 120.400 0.021 0.000 2.123 74 D HA -0.187 3.665 4.640 -1.313 0.000 0.196 74 D C 2.175 178.525 176.300 0.084 0.000 0.992 74 D CA 1.022 55.084 54.000 0.104 0.000 0.833 74 D CB -0.268 40.628 40.800 0.160 0.000 0.954 74 D HN 0.179 nan 8.370 nan 0.000 0.455 75 L N 0.447 121.668 121.223 -0.004 0.000 2.027 75 L HA -0.084 3.468 4.340 -1.313 0.000 0.206 75 L C 2.090 179.000 176.870 0.067 0.000 1.074 75 L CA 1.268 56.142 54.840 0.058 0.000 0.745 75 L CB -0.838 41.190 42.059 -0.052 0.000 0.898 75 L HN 0.007 nan 8.230 nan 0.000 0.433 76 L N 0.096 121.299 121.223 -0.033 0.000 2.013 76 L HA -0.265 3.288 4.340 -1.313 0.000 0.212 76 L C 2.422 179.240 176.870 -0.087 0.000 1.073 76 L CA 2.063 56.834 54.840 -0.115 0.000 0.753 76 L CB -0.911 40.955 42.059 -0.322 0.000 0.890 76 L HN 0.458 nan 8.230 nan 0.000 0.432 77 E N -1.245 118.957 120.200 0.003 0.000 2.085 77 E HA -0.307 3.256 4.350 -1.313 0.000 0.194 77 E C 2.162 178.775 176.600 0.021 0.000 0.994 77 E CA 1.334 57.791 56.400 0.095 0.000 0.801 77 E CB -0.143 29.639 29.700 0.136 0.000 0.743 77 E HN 0.497 nan 8.360 nan 0.000 0.453 78 Q N 0.893 120.701 119.800 0.013 0.000 2.046 78 Q HA -0.107 3.445 4.340 -1.313 0.000 0.200 78 Q C 2.073 178.078 176.000 0.008 0.000 0.975 78 Q CA 1.279 57.036 55.803 -0.076 0.000 0.836 78 Q CB -0.226 28.347 28.738 -0.276 0.000 0.896 78 Q HN 0.271 nan 8.270 nan 0.000 0.428 79 L N -0.283 121.010 121.223 0.117 0.000 2.012 79 L HA -0.237 3.315 4.340 -1.313 0.000 0.210 79 L C 2.383 179.098 176.870 -0.257 0.000 1.073 79 L CA 1.292 56.208 54.840 0.127 0.000 0.748 79 L CB -0.852 41.364 42.059 0.262 0.000 0.891 79 L HN 0.300 nan 8.230 nan 0.000 0.431 80 A N -0.247 122.233 122.820 -0.566 0.000 1.908 80 A HA -0.290 3.242 4.320 -1.313 0.000 0.218 80 A C 2.266 179.510 177.584 -0.566 0.000 1.181 80 A CA 2.084 53.409 52.037 -1.187 0.000 0.627 80 A CB -0.585 18.152 19.000 -0.439 0.000 0.818 80 A HN 0.511 nan 8.150 nan 0.000 0.445 81 E N -0.387 119.660 120.200 -0.254 0.000 2.051 81 E HA -0.227 3.336 4.350 -1.313 0.000 0.192 81 E C 1.276 177.807 176.600 -0.116 0.000 0.991 81 E CA 1.446 57.757 56.400 -0.147 0.000 0.799 81 E CB -0.112 29.532 29.700 -0.094 0.000 0.748 81 E HN 0.541 nan 8.360 nan 0.000 0.449 82 D N -0.208 120.145 120.400 -0.077 0.000 2.183 82 D HA -0.091 3.761 4.640 -1.313 0.000 0.203 82 D C 1.640 177.931 176.300 -0.015 0.000 0.969 82 D CA 0.956 54.946 54.000 -0.017 0.000 0.842 82 D CB 0.014 40.853 40.800 0.065 0.000 0.957 82 D HN 0.286 nan 8.370 nan 0.000 0.484 83 M N -0.192 119.387 119.600 -0.035 0.000 2.428 83 M HA 0.028 3.720 4.480 -1.313 0.000 0.239 83 M C -0.258 176.079 176.300 0.061 0.000 1.121 83 M CA -0.054 55.284 55.300 0.064 0.000 1.019 83 M CB 0.173 32.924 32.600 0.252 0.000 1.485 83 M HN -0.182 nan 8.290 nan 0.000 0.484 84 N N 1.445 120.108 118.700 -0.062 0.000 2.727 84 N HA -0.205 3.747 4.740 -1.313 0.000 0.251 84 N C -1.361 174.192 175.510 0.070 0.000 1.040 84 N CA 0.548 53.582 53.050 -0.026 0.000 0.712 84 N CB -0.969 37.528 38.487 0.018 0.000 0.912 84 N HN 0.446 nan 8.380 nan 0.000 0.545 85 F N -1.020 118.962 119.950 0.054 0.000 2.561 85 F HA 0.777 4.515 4.527 -1.316 0.000 0.321 85 F C 0.033 175.872 175.800 0.065 0.000 1.065 85 F CA -1.482 56.549 58.000 0.053 0.000 0.934 85 F CB 1.086 40.114 39.000 0.046 0.000 1.215 85 F HN 0.043 nan 8.300 nan 0.000 0.471 86 D N 1.110 121.675 120.400 0.275 0.000 2.392 86 D HA 0.674 4.526 4.640 -1.313 0.000 0.246 86 D C -1.024 175.280 176.300 0.007 0.000 1.013 86 D CA -0.523 53.534 54.000 0.094 0.000 0.993 86 D CB 1.870 42.647 40.800 -0.037 0.000 1.219 86 D HN 0.612 nan 8.370 nan 0.000 0.538 87 F N -2.510 117.328 119.950 -0.187 0.000 2.613 87 F HA 0.612 4.343 4.527 -1.327 0.000 0.310 87 F C -1.368 174.280 175.800 -0.253 0.000 1.085 87 F CA -1.130 56.684 58.000 -0.311 0.000 0.945 87 F CB 1.650 40.652 39.000 0.004 0.000 1.298 87 F HN -0.001 nan 8.300 nan 0.000 0.455 88 D N 2.172 122.497 120.400 -0.125 0.000 2.185 88 D HA 0.540 4.392 4.640 -1.313 0.000 0.247 88 D C -1.457 174.822 176.300 -0.034 0.000 1.027 88 D CA -0.154 53.674 54.000 -0.286 0.000 0.861 88 D CB 2.575 42.790 40.800 -0.976 0.000 1.202 88 D HN 0.597 nan 8.370 nan 0.000 0.453 89 L N 3.532 124.854 121.223 0.165 0.000 2.381 89 L HA 0.471 4.024 4.340 -1.313 0.000 0.274 89 L C -1.567 175.584 176.870 0.469 0.000 0.988 89 L CA -0.743 54.273 54.840 0.294 0.000 0.824 89 L CB 1.131 43.382 42.059 0.320 0.000 1.263 89 L HN 0.383 nan 8.230 nan 0.000 0.410 90 Y N 3.041 123.474 120.300 0.222 0.000 2.553 90 Y HA 0.767 5.295 4.550 -0.037 0.000 0.347 90 Y C -1.164 174.766 175.900 0.049 0.000 1.019 90 Y CA -1.524 56.693 58.100 0.196 0.000 1.032 90 Y CB 0.981 39.603 38.460 0.269 0.000 1.284 90 Y HN 0.423 nan 8.280 nan 0.000 0.466 91 I N 3.689 124.253 120.570 -0.009 0.000 2.342 91 I HA 0.233 3.616 4.170 -1.313 0.000 0.291 91 I C 0.109 176.172 176.117 -0.090 0.000 1.010 91 I CA -1.108 60.111 61.300 -0.134 0.000 1.308 91 I CB 1.466 39.429 38.000 -0.061 0.000 1.400 91 I HN 0.636 nan 8.210 nan 0.000 0.488 92 V N 7.351 127.129 119.914 -0.226 0.000 2.644 92 V HA -0.031 3.301 4.120 -1.313 0.000 0.305 92 V C 1.487 177.559 176.094 -0.037 0.000 1.053 92 V CA 0.987 63.219 62.300 -0.113 0.000 1.186 92 V CB 1.039 32.736 31.823 -0.211 0.000 0.895 92 V HN 1.026 nan 8.190 nan 0.000 0.490 93 G N 4.724 113.545 108.800 0.034 0.000 2.422 93 G HA2 -0.210 2.962 3.960 -1.313 0.000 0.218 93 G HA3 -0.210 2.962 3.960 -1.313 0.000 0.218 93 G C 0.892 175.777 174.900 -0.024 0.000 1.146 93 G CA 0.867 45.966 45.100 -0.002 0.000 0.769 93 G HN 0.980 nan 8.290 nan 0.000 0.547 94 D N -0.770 119.618 120.400 -0.020 0.000 2.339 94 D HA 0.203 4.055 4.640 -1.313 0.000 0.217 94 D C 1.753 178.025 176.300 -0.047 0.000 1.050 94 D CA 0.545 54.533 54.000 -0.020 0.000 0.856 94 D CB -0.628 40.176 40.800 0.007 0.000 0.922 94 D HN 0.449 nan 8.370 nan 0.000 0.518 95 G N 0.251 108.998 108.800 -0.088 0.000 2.166 95 G HA2 -0.294 2.878 3.960 -1.313 0.000 0.260 95 G HA3 -0.294 2.878 3.960 -1.313 0.000 0.260 95 G C 0.077 174.879 174.900 -0.164 0.000 0.986 95 G CA 0.402 45.421 45.100 -0.136 0.000 0.683 95 G HN 0.364 nan 8.290 nan 0.000 0.527 96 K N -0.888 119.437 120.400 -0.125 0.000 2.123 96 K HA 0.546 4.079 4.320 -1.313 0.000 0.259 96 K C 0.836 177.352 176.600 -0.141 0.000 0.960 96 K CA -1.007 55.237 56.287 -0.071 0.000 0.872 96 K CB 0.921 33.446 32.500 0.041 0.000 1.079 96 K HN 0.090 nan 8.250 nan 0.000 0.440 97 Y N 0.696 120.989 120.300 -0.013 0.000 2.163 97 Y HA -0.034 3.749 4.550 -1.279 0.000 0.288 97 Y C 1.343 177.315 175.900 0.119 0.000 1.136 97 Y CA 1.542 59.632 58.100 -0.016 0.000 1.147 97 Y CB 0.228 38.745 38.460 0.095 0.000 0.987 97 Y HN 0.840 nan 8.280 nan 0.000 0.509 98 G N -0.950 108.069 108.800 0.365 0.000 2.634 98 G HA2 0.461 3.633 3.960 -1.313 0.000 0.568 98 G HA3 0.461 3.633 3.960 -1.313 0.000 0.568 98 G C -1.588 173.605 174.900 0.488 0.000 1.495 98 G CA -0.658 44.684 45.100 0.402 0.000 0.903 98 G HN 0.498 nan 8.290 nan 0.000 0.646 99 A N 2.216 125.261 122.820 0.375 0.000 2.593 99 A HA 0.837 4.369 4.320 -1.313 0.000 0.290 99 A C -0.833 176.635 177.584 -0.193 0.000 1.126 99 A CA -0.595 51.559 52.037 0.195 0.000 0.695 99 A CB 1.282 20.338 19.000 0.094 0.000 1.290 99 A HN 1.777 nan 8.150 nan 0.000 0.414 100 W N 2.106 122.883 121.300 -0.871 0.000 2.485 100 W HA 0.480 4.350 4.660 -1.316 0.000 0.315 100 W C -0.597 175.609 176.519 -0.521 0.000 1.304 100 W CA 0.316 57.060 57.345 -1.001 0.000 1.345 100 W CB 0.376 29.209 29.460 -1.046 0.000 1.368 100 W HN 0.674 nan 8.180 nan 0.000 0.497 101 K N 6.844 126.699 120.400 -0.908 0.000 2.581 101 K HA 0.072 3.604 4.320 -1.313 0.000 0.249 101 K C -0.140 175.943 176.600 -0.862 0.000 0.966 101 K CA -0.452 55.426 56.287 -0.680 0.000 0.811 101 K CB 0.581 32.820 32.500 -0.435 0.000 1.223 101 K HN 0.602 nan 8.250 nan 0.000 0.438 102 N N 2.717 121.078 118.700 -0.564 0.000 2.725 102 N HA -0.206 3.746 4.740 -1.313 0.000 0.251 102 N C 0.483 175.751 175.510 -0.403 0.000 1.031 102 N CA 1.571 54.405 53.050 -0.360 0.000 0.720 102 N CB -1.439 36.963 38.487 -0.143 0.000 0.930 102 N HN 1.123 nan 8.380 nan 0.000 0.543 103 G N -0.381 107.954 108.800 -0.774 0.000 2.155 103 G HA2 -0.341 2.831 3.960 -1.313 0.000 0.257 103 G HA3 -0.341 2.831 3.960 -1.313 0.000 0.257 103 G C -0.096 174.203 174.900 -1.001 0.000 0.983 103 G CA 1.065 45.700 45.100 -0.777 0.000 0.676 103 G HN 1.215 nan 8.290 nan 0.000 0.528 104 H N -3.136 115.163 119.070 -1.285 0.000 3.008 104 H HA 0.557 4.322 4.556 -1.317 0.000 0.354 104 H C -1.070 173.951 175.328 -0.512 0.000 1.252 104 H CA -1.748 53.895 56.048 -0.676 0.000 1.117 104 H CB 0.413 30.037 29.762 -0.230 0.000 1.857 104 H HN 0.121 nan 8.280 nan 0.000 0.547 105 W N 2.021 123.383 121.300 0.104 0.000 2.315 105 W HA 0.390 4.260 4.660 -1.317 0.000 0.316 105 W C 0.774 177.374 176.519 0.135 0.000 1.211 105 W CA 0.130 57.568 57.345 0.156 0.000 1.201 105 W CB 1.571 31.193 29.460 0.270 0.000 1.184 105 W HN 0.769 nan 8.180 nan 0.000 0.544 106 T N 0.153 114.876 114.554 0.282 0.000 2.893 106 T HA 0.790 4.352 4.350 -1.313 0.000 0.279 106 T C 0.995 175.837 174.700 0.237 0.000 0.991 106 T CA 0.069 62.301 62.100 0.221 0.000 0.950 106 T CB 0.929 69.848 68.868 0.085 0.000 1.223 106 T HN 1.111 nan 8.240 nan 0.000 0.585 107 G N 0.295 109.179 108.800 0.139 0.000 2.582 107 G HA2 -0.261 2.912 3.960 -1.313 0.000 0.288 107 G HA3 -0.261 2.912 3.960 -1.313 0.000 0.288 107 G C 0.796 175.713 174.900 0.028 0.000 1.247 107 G CA 0.432 45.568 45.100 0.061 0.000 0.972 107 G HN 0.963 nan 8.290 nan 0.000 0.557 108 L N 0.058 121.232 121.223 -0.082 0.000 2.046 108 L HA -0.090 3.462 4.340 -1.313 0.000 0.208 108 L C 3.219 180.079 176.870 -0.018 0.000 1.077 108 L CA 1.494 56.215 54.840 -0.199 0.000 0.747 108 L CB -0.971 40.700 42.059 -0.647 0.000 0.896 108 L HN 0.420 nan 8.230 nan 0.000 0.432 109 V N 0.517 120.521 119.914 0.149 0.000 2.287 109 V HA -0.239 3.094 4.120 -1.313 0.000 0.248 109 V C 2.674 178.840 176.094 0.120 0.000 1.053 109 V CA 2.113 64.503 62.300 0.151 0.000 1.027 109 V CB -1.447 30.470 31.823 0.158 0.000 0.646 109 V HN 0.575 nan 8.190 nan 0.000 0.447 110 G N -0.378 108.558 108.800 0.227 0.000 2.418 110 G HA2 -0.261 2.912 3.960 -1.313 0.000 0.217 110 G HA3 -0.261 2.912 3.960 -1.313 0.000 0.217 110 G C 1.220 176.205 174.900 0.142 0.000 1.158 110 G CA 1.082 46.327 45.100 0.240 0.000 0.771 110 G HN 0.505 nan 8.290 nan 0.000 0.545 111 D N 0.232 120.696 120.400 0.106 0.000 2.178 111 D HA -0.028 3.824 4.640 -1.313 0.000 0.201 111 D C 2.603 178.944 176.300 0.069 0.000 0.980 111 D CA 0.322 54.382 54.000 0.099 0.000 0.842 111 D CB -0.147 40.733 40.800 0.132 0.000 0.948 111 D HN 0.297 nan 8.370 nan 0.000 0.472 112 L N -0.109 121.135 121.223 0.035 0.000 2.056 112 L HA -0.086 3.467 4.340 -1.313 0.000 0.207 112 L C 2.344 179.214 176.870 0.000 0.000 1.078 112 L CA 0.658 55.499 54.840 0.001 0.000 0.749 112 L CB -0.234 41.803 42.059 -0.037 0.000 0.901 112 L HN 0.053 nan 8.230 nan 0.000 0.433 113 L N -0.646 120.584 121.223 0.013 0.000 2.217 113 L HA -0.119 3.434 4.340 -1.313 0.000 0.211 113 L C 2.627 179.530 176.870 0.055 0.000 1.107 113 L CA 1.200 56.056 54.840 0.027 0.000 0.783 113 L CB -0.408 41.684 42.059 0.055 0.000 0.919 113 L HN 0.352 nan 8.230 nan 0.000 0.442 114 S N -0.832 114.908 115.700 0.066 0.000 2.558 114 S HA 0.107 3.790 4.470 -1.313 0.000 0.217 114 S C 1.587 176.210 174.600 0.038 0.000 0.975 114 S CA 0.412 58.646 58.200 0.057 0.000 0.912 114 S CB 0.309 63.545 63.200 0.059 0.000 0.776 114 S HN 0.510 nan 8.310 nan 0.000 0.526 115 G N 0.420 109.240 108.800 0.034 0.000 2.148 115 G HA2 -0.288 2.884 3.960 -1.313 0.000 0.254 115 G HA3 -0.288 2.884 3.960 -1.313 0.000 0.254 115 G C 0.691 175.613 174.900 0.036 0.000 0.981 115 G CA 0.611 45.727 45.100 0.027 0.000 0.670 115 G HN 0.523 nan 8.290 nan 0.000 0.528 116 T N -0.111 114.473 114.554 0.050 0.000 2.904 116 T HA 0.432 3.994 4.350 -1.313 0.000 0.267 116 T C 1.318 176.086 174.700 0.114 0.000 1.059 116 T CA 1.922 64.054 62.100 0.054 0.000 1.137 116 T CB 0.077 68.979 68.868 0.056 0.000 0.879 116 T HN 1.518 nan 8.240 nan 0.000 0.467 117 A N 0.522 123.431 122.820 0.147 0.000 2.413 117 A HA 0.644 4.176 4.320 -1.313 0.000 0.307 117 A C 0.318 177.938 177.584 0.058 0.000 1.087 117 A CA -0.793 51.347 52.037 0.173 0.000 0.750 117 A CB 0.994 20.100 19.000 0.177 0.000 1.296 117 A HN 0.234 nan 8.150 nan 0.000 0.423 118 N N -0.124 118.592 118.700 0.026 0.000 2.395 118 N HA 0.214 4.166 4.740 -1.313 0.000 0.175 118 N C 0.099 175.568 175.510 -0.069 0.000 1.029 118 N CA 0.790 53.821 53.050 -0.032 0.000 0.897 118 N CB 0.249 38.700 38.487 -0.060 0.000 0.991 118 N HN 0.712 nan 8.380 nan 0.000 0.441 119 M N -0.082 119.474 119.600 -0.073 0.000 2.471 119 M HA 0.537 4.230 4.480 -1.313 0.000 0.284 119 M C -2.199 174.046 176.300 -0.091 0.000 1.203 119 M CA -0.685 54.560 55.300 -0.091 0.000 0.915 119 M CB 2.035 34.548 32.600 -0.145 0.000 1.734 119 M HN -0.128 nan 8.290 nan 0.000 0.485 120 A N 3.108 125.892 122.820 -0.059 0.000 2.318 120 A HA 0.791 4.324 4.320 -1.313 0.000 0.317 120 A C -1.598 175.969 177.584 -0.027 0.000 1.159 120 A CA -0.579 51.390 52.037 -0.114 0.000 0.799 120 A CB 1.325 20.222 19.000 -0.172 0.000 1.194 120 A HN 0.610 nan 8.150 nan 0.000 0.479 121 V N 2.470 122.323 119.914 -0.103 0.000 2.419 121 V HA 0.778 4.110 4.120 -1.313 0.000 0.287 121 V C 0.094 176.138 176.094 -0.084 0.000 1.017 121 V CA 0.275 62.551 62.300 -0.039 0.000 0.844 121 V CB 0.939 32.703 31.823 -0.099 0.000 1.011 121 V HN 1.258 nan 8.190 nan 0.000 0.429 122 T N 2.053 116.607 114.554 -0.000 0.000 2.684 122 T HA 0.194 3.757 4.350 -1.313 0.000 0.294 122 T C -0.404 174.251 174.700 -0.075 0.000 1.783 122 T CA 0.276 62.339 62.100 -0.061 0.000 0.963 122 T CB 1.227 69.989 68.868 -0.177 0.000 2.009 122 T HN 0.725 nan 8.240 nan 0.000 0.448 123 S N 2.137 117.620 115.700 -0.363 0.000 4.175 123 S HA 0.378 4.060 4.470 -1.313 0.000 0.193 123 S C -0.506 173.522 174.600 -0.953 0.000 1.373 123 S CA -0.522 56.947 58.200 -1.219 0.000 0.908 123 S CB -1.130 61.316 63.200 -1.257 0.000 1.547 123 S HN 0.472 nan 8.310 nan 0.000 0.440 124 F N 2.861 122.416 119.950 -0.659 0.000 2.361 124 F HA 0.497 4.266 4.527 -1.263 0.000 0.364 124 F C 0.084 175.776 175.800 -0.180 0.000 1.120 124 F CA -1.825 56.065 58.000 -0.183 0.000 1.102 124 F CB 0.843 39.913 39.000 0.116 0.000 1.183 124 F HN 0.268 nan 8.300 nan 0.000 0.476 125 S N 6.653 122.305 115.700 -0.080 0.000 2.548 125 S HA 0.440 4.122 4.470 -1.313 0.000 0.277 125 S C 0.189 174.418 174.600 -0.620 0.000 1.315 125 S CA -0.427 57.653 58.200 -0.200 0.000 1.050 125 S CB 0.632 63.747 63.200 -0.141 0.000 0.918 125 S HN 0.451 nan 8.310 nan 0.000 0.497 126 I N 4.598 124.702 120.570 -0.776 0.000 2.301 126 I HA 0.228 3.610 4.170 -1.313 0.000 0.292 126 I C 0.136 175.866 176.117 -0.644 0.000 1.046 126 I CA -0.456 60.080 61.300 -1.274 0.000 1.282 126 I CB 0.099 37.478 38.000 -1.035 0.000 1.409 126 I HN 0.611 nan 8.210 nan 0.000 0.484 127 N N 2.763 121.174 118.700 -0.481 0.000 2.577 127 N HA 0.345 4.297 4.740 -1.313 0.000 0.285 127 N C 0.340 175.780 175.510 -0.117 0.000 1.309 127 N CA -0.880 52.044 53.050 -0.210 0.000 0.798 127 N CB 0.756 39.184 38.487 -0.098 0.000 1.463 127 N HN 0.223 nan 8.380 nan 0.000 0.518 128 T N -0.002 114.521 114.554 -0.051 0.000 2.708 128 T HA -0.092 3.470 4.350 -1.313 0.000 0.266 128 T C 1.752 176.469 174.700 0.027 0.000 1.037 128 T CA 2.330 64.420 62.100 -0.017 0.000 1.146 128 T CB -0.702 68.160 68.868 -0.009 0.000 0.865 128 T HN 0.704 nan 8.240 nan 0.000 0.435 129 A N 1.876 124.743 122.820 0.077 0.000 1.883 129 A HA -0.170 3.363 4.320 -1.313 0.000 0.217 129 A C 2.364 180.042 177.584 0.156 0.000 1.186 129 A CA 1.722 53.862 52.037 0.171 0.000 0.624 129 A CB -0.552 18.619 19.000 0.285 0.000 0.822 129 A HN 0.460 nan 8.150 nan 0.000 0.444 130 R N -0.273 120.288 120.500 0.102 0.000 2.115 130 R HA -0.030 3.522 4.340 -1.313 0.000 0.230 130 R C 2.280 178.591 176.300 0.017 0.000 1.111 130 R CA 1.312 57.378 56.100 -0.057 0.000 0.976 130 R CB -0.339 30.017 30.300 0.093 0.000 0.870 130 R HN 0.458 nan 8.270 nan 0.000 0.445 131 S N 0.890 116.651 115.700 0.102 0.000 2.474 131 S HA -0.081 3.602 4.470 -1.313 0.000 0.235 131 S C 1.544 176.149 174.600 0.009 0.000 0.997 131 S CA 0.845 59.107 58.200 0.104 0.000 0.949 131 S CB -0.008 63.224 63.200 0.054 0.000 0.766 131 S HN 0.277 nan 8.310 nan 0.000 0.517 132 Q N 0.497 120.287 119.800 -0.017 0.000 2.378 132 Q HA 0.053 3.605 4.340 -1.313 0.000 0.205 132 Q C 2.124 178.082 176.000 -0.069 0.000 0.954 132 Q CA 0.914 56.700 55.803 -0.028 0.000 0.901 132 Q CB -0.341 28.395 28.738 -0.004 0.000 0.981 132 Q HN 0.691 nan 8.270 nan 0.000 0.483 133 V N -3.303 116.522 119.914 -0.150 0.000 3.473 133 V HA 0.329 3.661 4.120 -1.313 0.000 0.253 133 V C 0.915 176.864 176.094 -0.242 0.000 1.340 133 V CA -0.148 62.023 62.300 -0.215 0.000 1.103 133 V CB 0.068 31.668 31.823 -0.371 0.000 0.881 133 V HN 0.154 nan 8.190 nan 0.000 0.451 134 I N -2.064 118.337 120.570 -0.281 0.000 3.042 134 I HA 0.772 4.154 4.170 -1.313 0.000 0.310 134 I C -1.257 174.673 176.117 -0.312 0.000 1.117 134 I CA -0.823 60.286 61.300 -0.319 0.000 1.003 134 I CB 1.878 39.614 38.000 -0.440 0.000 1.228 134 I HN -0.204 nan 8.210 nan 0.000 0.443 135 D N 2.135 122.358 120.400 -0.294 0.000 2.264 135 D HA 0.535 4.387 4.640 -1.313 0.000 0.249 135 D C -1.216 174.843 176.300 -0.403 0.000 1.070 135 D CA 0.482 54.355 54.000 -0.212 0.000 0.912 135 D CB 1.152 41.879 40.800 -0.122 0.000 1.193 135 D HN 0.309 nan 8.370 nan 0.000 0.427 136 F N -0.022 119.881 119.950 -0.079 0.000 2.546 136 F HA 0.298 4.037 4.527 -1.313 0.000 0.320 136 F C 1.095 176.882 175.800 -0.022 0.000 1.076 136 F CA -0.896 57.063 58.000 -0.068 0.000 0.928 136 F CB 1.527 40.452 39.000 -0.125 0.000 1.189 136 F HN 0.131 nan 8.300 nan 0.000 0.465 137 T N -1.078 113.612 114.554 0.227 0.000 2.726 137 T HA 0.275 3.838 4.350 -1.313 0.000 0.294 137 T C 0.386 175.179 174.700 0.155 0.000 1.013 137 T CA -0.907 61.292 62.100 0.165 0.000 0.996 137 T CB 0.538 69.516 68.868 0.184 0.000 1.016 137 T HN 0.498 nan 8.240 nan 0.000 0.529 138 S N 3.192 118.960 115.700 0.115 0.000 2.554 138 S HA 0.178 3.860 4.470 -1.313 0.000 0.290 138 S C -1.990 172.685 174.600 0.125 0.000 1.309 138 S CA -0.648 57.606 58.200 0.091 0.000 1.047 138 S CB -0.289 62.960 63.200 0.081 0.000 0.828 138 S HN 0.706 nan 8.310 nan 0.000 0.509 139 P HA 0.163 nan 4.420 nan 0.000 0.275 139 P C 0.055 177.428 177.300 0.122 0.000 1.227 139 P CA -0.393 62.705 63.100 -0.004 0.000 0.781 139 P CB 0.348 31.978 31.700 -0.117 0.000 0.906 140 F N 0.336 120.423 119.950 0.229 0.000 2.721 140 F HA 0.556 4.292 4.527 -1.318 0.000 0.301 140 F C -0.123 175.915 175.800 0.397 0.000 1.096 140 F CA -0.587 57.607 58.000 0.324 0.000 1.308 140 F CB 0.029 39.281 39.000 0.420 0.000 1.086 140 F HN 0.065 nan 8.300 nan 0.000 0.587 141 F N -0.142 119.669 119.950 -0.231 0.000 2.693 141 F HA 0.598 4.341 4.527 -1.307 0.000 0.309 141 F C -0.986 174.553 175.800 -0.435 0.000 1.129 141 F CA -1.056 56.813 58.000 -0.217 0.000 0.948 141 F CB 1.722 40.590 39.000 -0.220 0.000 1.315 141 F HN -0.243 nan 8.300 nan 0.000 0.447 142 S N 1.799 117.224 115.700 -0.458 0.000 2.541 142 S HA 0.763 4.446 4.470 -1.313 0.000 0.280 142 S C -1.339 173.038 174.600 -0.371 0.000 1.112 142 S CA -0.273 57.685 58.200 -0.403 0.000 0.925 142 S CB 1.749 64.747 63.200 -0.337 0.000 1.067 142 S HN 0.878 nan 8.310 nan 0.000 0.479 143 T N 1.730 116.056 114.554 -0.380 0.000 2.982 143 T HA 0.529 4.092 4.350 -1.313 0.000 0.321 143 T C -0.584 173.947 174.700 -0.280 0.000 1.229 143 T CA -0.407 61.523 62.100 -0.283 0.000 1.044 143 T CB 1.583 70.279 68.868 -0.286 0.000 1.184 143 T HN 0.635 nan 8.240 nan 0.000 0.477 144 S N 3.190 118.745 115.700 -0.242 0.000 2.603 144 S HA 0.596 4.278 4.470 -1.313 0.000 0.268 144 S C 0.343 174.699 174.600 -0.406 0.000 1.317 144 S CA -0.632 57.379 58.200 -0.314 0.000 1.012 144 S CB -0.029 63.026 63.200 -0.243 0.000 0.926 144 S HN 0.628 nan 8.310 nan 0.000 0.539 145 L N 2.323 123.138 121.223 -0.681 0.000 2.464 145 L HA 0.498 4.050 4.340 -1.313 0.000 0.264 145 L C 1.073 177.513 176.870 -0.717 0.000 1.199 145 L CA -0.070 54.288 54.840 -0.804 0.000 0.818 145 L CB 0.320 41.653 42.059 -1.210 0.000 1.102 145 L HN 0.830 nan 8.230 nan 0.000 0.473 146 G N 1.706 110.296 108.800 -0.349 0.000 2.798 146 G HA2 0.736 3.909 3.960 -1.313 0.000 0.286 146 G HA3 0.736 3.909 3.960 -1.313 0.000 0.286 146 G C -1.349 173.592 174.900 0.068 0.000 1.389 146 G CA -0.577 44.482 45.100 -0.068 0.000 0.894 146 G HN 0.429 nan 8.290 nan 0.000 0.488 147 I N 0.486 121.132 120.570 0.126 0.000 2.478 147 I HA 0.301 3.683 4.170 -1.313 0.000 0.287 147 I C -1.114 175.070 176.117 0.111 0.000 1.042 147 I CA -0.643 60.729 61.300 0.121 0.000 1.067 147 I CB 2.081 40.160 38.000 0.131 0.000 1.233 147 I HN 0.253 nan 8.210 nan 0.000 0.431 148 L N 9.050 130.354 121.223 0.134 0.000 2.275 148 L HA 0.709 4.262 4.340 -1.313 0.000 0.288 148 L C -0.241 176.727 176.870 0.164 0.000 1.046 148 L CA -0.036 54.904 54.840 0.168 0.000 0.805 148 L CB 1.326 43.535 42.059 0.250 0.000 1.193 148 L HN 0.487 nan 8.230 nan 0.000 0.426 149 V N 2.195 122.186 119.914 0.129 0.000 3.156 149 V HA 0.687 4.019 4.120 -1.313 0.000 0.310 149 V C -0.298 175.854 176.094 0.096 0.000 1.234 149 V CA -1.249 61.120 62.300 0.115 0.000 1.065 149 V CB 1.793 33.678 31.823 0.103 0.000 1.088 149 V HN 0.712 nan 8.190 nan 0.000 0.451 150 R N 0.989 121.539 120.500 0.084 0.000 2.459 150 R HA 0.522 4.074 4.340 -1.313 0.000 0.281 150 R C -0.000 176.335 176.300 0.060 0.000 1.050 150 R CA 0.064 56.205 56.100 0.069 0.000 1.055 150 R CB 1.276 31.613 30.300 0.062 0.000 1.045 150 R HN 1.008 nan 8.270 nan 0.000 0.495 151 T N 1.350 115.935 114.554 0.051 0.000 2.908 151 T HA 0.009 3.571 4.350 -1.313 0.000 0.301 151 T C 0.552 175.276 174.700 0.039 0.000 1.019 151 T CA -0.535 61.590 62.100 0.043 0.000 1.152 151 T CB 0.464 69.354 68.868 0.038 0.000 0.966 151 T HN 0.639 nan 8.240 nan 0.000 0.540 152 R N 0.376 120.897 120.500 0.035 0.000 3.875 152 R HA -0.137 3.415 4.340 -1.313 0.000 0.321 152 R C 0.693 177.014 176.300 0.036 0.000 1.196 152 R CA 1.035 57.154 56.100 0.031 0.000 0.868 152 R CB -2.477 27.839 30.300 0.026 0.000 1.333 152 R HN 1.035 nan 8.270 nan 0.000 0.522 153 G N -0.577 108.250 108.800 0.046 0.000 3.310 153 G HA2 0.330 3.502 3.960 -1.313 0.000 0.176 153 G HA3 0.330 3.502 3.960 -1.313 0.000 0.176 153 G C -0.496 174.441 174.900 0.062 0.000 1.307 153 G CA -0.068 45.067 45.100 0.058 0.000 0.935 153 G HN 0.072 nan 8.290 nan 0.000 0.628 154 T N 1.592 116.202 114.554 0.093 0.000 2.888 154 T HA 0.300 3.862 4.350 -1.313 0.000 0.301 154 T C -0.275 174.461 174.700 0.060 0.000 1.001 154 T CA 0.674 62.836 62.100 0.103 0.000 1.147 154 T CB 0.596 69.600 68.868 0.227 0.000 0.931 154 T HN 0.319 nan 8.240 nan 0.000 0.541 155 E N 2.530 122.739 120.200 0.015 0.000 2.179 155 E HA 0.614 4.177 4.350 -1.313 0.000 0.275 155 E C -0.781 175.803 176.600 -0.026 0.000 0.945 155 E CA -0.618 55.783 56.400 0.001 0.000 0.792 155 E CB 1.485 31.179 29.700 -0.010 0.000 1.125 155 E HN 0.416 nan 8.360 nan 0.000 0.397 156 L N 1.580 122.793 121.223 -0.016 0.000 2.482 156 L HA 0.184 3.736 4.340 -1.313 0.000 0.263 156 L C 0.884 177.737 176.870 -0.028 0.000 0.957 156 L CA -0.445 54.369 54.840 -0.043 0.000 0.836 156 L CB 2.112 44.146 42.059 -0.043 0.000 1.324 156 L HN 0.608 nan 8.230 nan 0.000 0.406 157 S N 0.345 116.021 115.700 -0.039 0.000 2.489 157 S HA 0.425 4.107 4.470 -1.313 0.000 0.228 157 S C 0.701 175.295 174.600 -0.010 0.000 0.995 157 S CA 0.458 58.649 58.200 -0.016 0.000 0.934 157 S CB 0.250 63.442 63.200 -0.014 0.000 0.771 157 S HN 1.097 nan 8.310 nan 0.000 0.522 158 G N 0.618 109.384 108.800 -0.056 0.000 2.320 158 G HA2 0.164 3.336 3.960 -1.313 0.000 0.274 158 G HA3 0.164 3.336 3.960 -1.313 0.000 0.274 158 G C -0.163 174.549 174.900 -0.313 0.000 1.324 158 G CA -0.321 44.712 45.100 -0.112 0.000 0.957 158 G HN 0.285 nan 8.290 nan 0.000 0.481 159 I N 0.734 120.922 120.570 -0.636 0.000 3.001 159 I HA 0.145 3.528 4.170 -1.313 0.000 0.268 159 I C 1.621 177.371 176.117 -0.612 0.000 1.267 159 I CA 1.074 61.850 61.300 -0.873 0.000 1.472 159 I CB -0.269 36.900 38.000 -1.386 0.000 1.089 159 I HN 0.509 nan 8.210 nan 0.000 0.468 160 H N -0.575 118.383 119.070 -0.187 0.000 2.549 160 H HA 0.181 3.950 4.556 -1.312 0.000 0.279 160 H C 0.242 175.535 175.328 -0.058 0.000 1.018 160 H CA -0.182 55.801 56.048 -0.107 0.000 1.175 160 H CB -0.181 29.509 29.762 -0.120 0.000 1.485 160 H HN 0.268 nan 8.280 nan 0.000 0.543 161 D N 2.339 122.733 120.400 -0.011 0.000 2.450 161 D HA -0.028 3.824 4.640 -1.313 0.000 0.247 161 D C -1.567 174.745 176.300 0.020 0.000 1.162 161 D CA -1.457 52.520 54.000 -0.039 0.000 0.879 161 D CB 1.857 42.584 40.800 -0.122 0.000 1.163 161 D HN 0.083 nan 8.370 nan 0.000 0.472 162 P HA -0.145 nan 4.420 nan 0.000 0.218 162 P C 0.982 178.263 177.300 -0.031 0.000 1.146 162 P CA 1.279 64.422 63.100 0.071 0.000 0.813 162 P CB 0.258 31.997 31.700 0.065 0.000 0.778 163 K N -0.740 119.557 120.400 -0.170 0.000 2.152 163 K HA -0.100 3.432 4.320 -1.313 0.000 0.206 163 K C 1.850 178.238 176.600 -0.353 0.000 1.048 163 K CA 1.077 57.147 56.287 -0.363 0.000 0.933 163 K CB -0.493 31.665 32.500 -0.569 0.000 0.721 163 K HN 0.218 nan 8.250 nan 0.000 0.447 164 L N -0.923 120.076 121.223 -0.373 0.000 2.249 164 L HA -0.055 3.497 4.340 -1.313 0.000 0.207 164 L C 1.544 178.108 176.870 -0.509 0.000 1.090 164 L CA 0.947 55.429 54.840 -0.596 0.000 0.802 164 L CB -0.210 41.322 42.059 -0.878 0.000 0.947 164 L HN 0.222 nan 8.230 nan 0.000 0.453 165 H N -2.339 116.548 119.070 -0.305 0.000 2.582 165 H HA 0.102 3.871 4.556 -1.313 0.000 0.269 165 H C 0.050 174.979 175.328 -0.665 0.000 0.962 165 H CA 0.445 56.230 56.048 -0.437 0.000 1.230 165 H CB 0.330 29.788 29.762 -0.508 0.000 1.445 165 H HN 0.299 nan 8.280 nan 0.000 0.528 166 H N 0.383 119.447 119.070 -0.009 0.000 2.439 166 H HA 0.203 3.972 4.556 -1.312 0.000 0.230 166 H C -2.515 172.763 175.328 -0.084 0.000 1.420 166 H CA -2.023 54.003 56.048 -0.037 0.000 1.305 166 H CB 0.475 30.228 29.762 -0.015 0.000 1.667 166 H HN 0.177 nan 8.280 nan 0.000 0.515 167 P HA -0.027 nan 4.420 nan 0.000 0.269 167 P C 0.430 177.761 177.300 0.052 0.000 1.209 167 P CA 0.013 63.094 63.100 -0.032 0.000 0.776 167 P CB 1.201 32.806 31.700 -0.158 0.000 0.876 168 S N 1.361 117.103 115.700 0.070 0.000 2.593 168 S HA 0.093 3.775 4.470 -1.313 0.000 0.269 168 S C 0.284 175.010 174.600 0.211 0.000 1.334 168 S CA -0.634 57.626 58.200 0.100 0.000 1.015 168 S CB 0.278 63.502 63.200 0.040 0.000 0.912 168 S HN 0.539 nan 8.310 nan 0.000 0.541 169 Q N 0.487 120.391 119.800 0.173 0.000 2.286 169 Q HA 0.390 3.943 4.340 -1.313 0.000 0.290 169 Q C 1.342 177.469 176.000 0.212 0.000 1.049 169 Q CA 1.213 57.135 55.803 0.198 0.000 0.923 169 Q CB -0.326 28.493 28.738 0.135 0.000 1.183 169 Q HN 1.458 nan 8.270 nan 0.000 0.383 170 G N 3.463 112.411 108.800 0.248 0.000 2.184 170 G HA2 -0.326 2.846 3.960 -1.313 0.000 0.264 170 G HA3 -0.326 2.846 3.960 -1.313 0.000 0.264 170 G C -0.297 174.740 174.900 0.228 0.000 0.975 170 G CA 0.075 45.298 45.100 0.205 0.000 0.642 170 G HN 0.647 nan 8.290 nan 0.000 0.536 171 F N 3.052 123.100 119.950 0.164 0.000 2.494 171 F HA 0.590 4.330 4.527 -1.312 0.000 0.369 171 F C 0.901 176.778 175.800 0.128 0.000 1.098 171 F CA -0.958 57.128 58.000 0.144 0.000 1.154 171 F CB 0.259 39.348 39.000 0.148 0.000 1.103 171 F HN 0.139 nan 8.300 nan 0.000 0.549 172 R N 7.893 128.041 120.500 -0.588 0.000 2.265 172 R HA 0.512 4.064 4.340 -1.313 0.000 0.328 172 R C -1.342 174.501 176.300 -0.762 0.000 0.969 172 R CA -0.540 54.920 56.100 -1.067 0.000 0.832 172 R CB 0.889 30.661 30.300 -0.881 0.000 1.139 172 R HN 0.616 nan 8.270 nan 0.000 0.457 173 F N -0.903 118.587 119.950 -0.768 0.000 2.601 173 F HA 0.898 4.637 4.527 -1.313 0.000 0.309 173 F C -0.270 175.523 175.800 -0.011 0.000 1.089 173 F CA -1.094 56.704 58.000 -0.337 0.000 0.940 173 F CB 1.929 40.729 39.000 -0.333 0.000 1.273 173 F HN 0.528 nan 8.300 nan 0.000 0.450 174 G N 0.192 109.120 108.800 0.215 0.000 2.708 174 G HA2 0.595 3.767 3.960 -1.313 0.000 0.289 174 G HA3 0.595 3.767 3.960 -1.313 0.000 0.289 174 G C -1.951 173.167 174.900 0.364 0.000 1.416 174 G CA -0.612 44.634 45.100 0.243 0.000 0.829 174 G HN 0.915 nan 8.290 nan 0.000 0.480 175 T N -1.811 112.924 114.554 0.303 0.000 2.693 175 T HA 0.589 4.151 4.350 -1.313 0.000 0.278 175 T C -0.930 173.972 174.700 0.338 0.000 0.994 175 T CA -0.314 61.932 62.100 0.243 0.000 1.033 175 T CB 1.490 70.439 68.868 0.135 0.000 1.342 175 T HN 0.538 nan 8.240 nan 0.000 0.538 176 V N 2.813 122.882 119.914 0.259 0.000 2.432 176 V HA 0.458 3.790 4.120 -1.313 0.000 0.275 176 V C 0.646 176.852 176.094 0.187 0.000 1.043 176 V CA -0.593 61.856 62.300 0.249 0.000 0.925 176 V CB 0.895 32.865 31.823 0.245 0.000 0.985 176 V HN 0.712 nan 8.190 nan 0.000 0.466 177 R N 3.272 123.868 120.500 0.158 0.000 2.640 177 R HA 0.105 3.657 4.340 -1.313 0.000 0.270 177 R C 0.612 176.999 176.300 0.145 0.000 1.024 177 R CA 0.231 56.411 56.100 0.135 0.000 1.085 177 R CB -0.050 30.306 30.300 0.093 0.000 0.963 177 R HN 0.811 nan 8.270 nan 0.000 0.426 178 E N -0.634 119.649 120.200 0.138 0.000 2.476 178 E HA -0.237 3.325 4.350 -1.313 0.000 0.251 178 E C -0.657 176.073 176.600 0.217 0.000 1.130 178 E CA 0.894 57.386 56.400 0.152 0.000 0.736 178 E CB -1.156 28.618 29.700 0.123 0.000 1.298 178 E HN 0.703 nan 8.360 nan 0.000 0.400 179 S N -1.832 113.983 115.700 0.190 0.000 2.715 179 S HA 0.560 4.243 4.470 -1.313 0.000 0.307 179 S C 1.212 175.883 174.600 0.119 0.000 1.119 179 S CA -0.248 58.048 58.200 0.161 0.000 0.937 179 S CB 1.849 65.103 63.200 0.089 0.000 1.150 179 S HN 0.186 nan 8.310 nan 0.000 0.521 180 S N 0.210 115.939 115.700 0.048 0.000 2.453 180 S HA 0.038 3.720 4.470 -1.313 0.000 0.231 180 S C 1.934 176.577 174.600 0.071 0.000 1.005 180 S CA 0.554 58.786 58.200 0.053 0.000 0.949 180 S CB -1.069 62.117 63.200 -0.023 0.000 0.774 180 S HN 1.090 nan 8.310 nan 0.000 0.510 181 A N 1.999 124.843 122.820 0.041 0.000 1.902 181 A HA -0.101 3.431 4.320 -1.313 0.000 0.217 181 A C 2.207 179.912 177.584 0.202 0.000 1.181 181 A CA 1.556 53.651 52.037 0.098 0.000 0.623 181 A CB -0.796 18.217 19.000 0.022 0.000 0.818 181 A HN 0.642 nan 8.150 nan 0.000 0.443 182 E N -0.297 120.001 120.200 0.163 0.000 2.051 182 E HA -0.236 3.326 4.350 -1.313 0.000 0.192 182 E C 1.391 178.049 176.600 0.096 0.000 0.991 182 E CA 1.267 57.772 56.400 0.174 0.000 0.799 182 E CB -0.154 29.652 29.700 0.176 0.000 0.748 182 E HN 0.501 nan 8.360 nan 0.000 0.449 183 D N -0.185 120.271 120.400 0.094 0.000 2.133 183 D HA -0.223 3.630 4.640 -1.313 0.000 0.192 183 D C 1.682 178.016 176.300 0.056 0.000 1.001 183 D CA 1.269 55.303 54.000 0.056 0.000 0.844 183 D CB -0.581 40.285 40.800 0.109 0.000 0.944 183 D HN 0.303 nan 8.370 nan 0.000 0.447 184 Y N 1.491 121.807 120.300 0.027 0.000 2.097 184 Y HA -0.253 3.509 4.550 -1.314 0.000 0.282 184 Y C 2.254 178.194 175.900 0.066 0.000 1.152 184 Y CA 1.361 59.487 58.100 0.043 0.000 1.136 184 Y CB -0.520 37.994 38.460 0.090 0.000 0.975 184 Y HN -0.161 nan 8.280 nan 0.000 0.498 185 V N 1.219 121.169 119.914 0.060 0.000 2.343 185 V HA -0.295 3.038 4.120 -1.313 0.000 0.247 185 V C 2.559 178.632 176.094 -0.036 0.000 1.051 185 V CA 2.238 64.586 62.300 0.080 0.000 1.036 185 V CB -0.860 31.152 31.823 0.315 0.000 0.654 185 V HN 0.379 nan 8.190 nan 0.000 0.451 186 R N -0.069 120.328 120.500 -0.172 0.000 2.083 186 R HA -0.240 3.312 4.340 -1.313 0.000 0.237 186 R C 2.396 178.564 176.300 -0.220 0.000 1.137 186 R CA 2.159 58.030 56.100 -0.382 0.000 0.951 186 R CB -0.196 29.723 30.300 -0.635 0.000 0.851 186 R HN 0.609 nan 8.270 nan 0.000 0.434 187 Q N -0.769 118.901 119.800 -0.216 0.000 2.083 187 Q HA -0.043 3.510 4.340 -1.313 0.000 0.198 187 Q C 2.115 177.933 176.000 -0.304 0.000 0.969 187 Q CA 1.912 57.593 55.803 -0.203 0.000 0.838 187 Q CB 0.233 28.877 28.738 -0.156 0.000 0.900 187 Q HN 0.283 nan 8.270 nan 0.000 0.436 188 S N -0.426 114.956 115.700 -0.530 0.000 2.439 188 S HA 0.093 3.775 4.470 -1.313 0.000 0.224 188 S C -0.028 173.975 174.600 -0.995 0.000 1.029 188 S CA 0.429 58.096 58.200 -0.888 0.000 0.946 188 S CB 0.348 62.694 63.200 -1.423 0.000 0.797 188 S HN 0.177 nan 8.310 nan 0.000 0.504 189 F N 0.809 120.687 119.950 -0.121 0.000 2.710 189 F HA 0.409 4.147 4.527 -1.314 0.000 0.345 189 F C -2.427 173.402 175.800 0.049 0.000 1.362 189 F CA -2.450 55.550 58.000 -0.001 0.000 1.175 189 F CB 0.982 40.009 39.000 0.045 0.000 1.561 189 F HN -0.083 nan 8.300 nan 0.000 0.593 190 P HA -0.189 nan 4.420 nan 0.000 0.216 190 P C 1.105 178.527 177.300 0.202 0.000 1.153 190 P CA 1.683 64.870 63.100 0.146 0.000 0.858 190 P CB 0.411 32.159 31.700 0.081 0.000 0.789 191 E N -1.396 118.918 120.200 0.189 0.000 2.107 191 E HA -0.056 3.506 4.350 -1.313 0.000 0.191 191 E C 2.086 178.799 176.600 0.188 0.000 0.982 191 E CA 0.742 57.242 56.400 0.167 0.000 0.809 191 E CB -0.884 28.899 29.700 0.138 0.000 0.756 191 E HN 0.194 nan 8.360 nan 0.000 0.459 192 M N 0.056 119.785 119.600 0.215 0.000 2.117 192 M HA -0.216 3.476 4.480 -1.313 0.000 0.262 192 M C 2.211 178.654 176.300 0.238 0.000 1.065 192 M CA 1.745 57.170 55.300 0.208 0.000 1.114 192 M CB -0.129 32.558 32.600 0.144 0.000 1.361 192 M HN 0.228 nan 8.290 nan 0.000 0.408 193 H N 0.056 119.220 119.070 0.157 0.000 2.319 193 H HA -0.232 3.536 4.556 -1.314 0.000 0.299 193 H C 1.800 177.172 175.328 0.074 0.000 1.092 193 H CA 2.549 58.662 56.048 0.110 0.000 1.302 193 H CB -0.181 29.634 29.762 0.088 0.000 1.373 193 H HN 0.405 nan 8.280 nan 0.000 0.497 194 E N -0.525 119.669 120.200 -0.009 0.000 2.085 194 E HA -0.226 3.336 4.350 -1.313 0.000 0.194 194 E C 2.114 178.663 176.600 -0.085 0.000 0.994 194 E CA 1.489 57.838 56.400 -0.085 0.000 0.801 194 E CB -0.718 29.004 29.700 0.036 0.000 0.743 194 E HN 0.666 nan 8.360 nan 0.000 0.453 195 Y N 0.038 120.281 120.300 -0.095 0.000 2.224 195 Y HA -0.159 3.603 4.550 -1.313 0.000 0.289 195 Y C 2.000 177.787 175.900 -0.189 0.000 1.146 195 Y CA 1.936 59.976 58.100 -0.099 0.000 1.182 195 Y CB -0.068 38.379 38.460 -0.021 0.000 0.983 195 Y HN 0.076 nan 8.280 nan 0.000 0.524 196 M N -0.648 118.870 119.600 -0.137 0.000 2.394 196 M HA -0.146 3.546 4.480 -1.313 0.000 0.264 196 M C 2.058 178.218 176.300 -0.233 0.000 1.073 196 M CA 1.007 56.180 55.300 -0.211 0.000 1.111 196 M CB -0.142 32.379 32.600 -0.132 0.000 1.401 196 M HN 0.159 nan 8.290 nan 0.000 0.448 197 R N 0.945 121.251 120.500 -0.324 0.000 2.096 197 R HA -0.193 3.359 4.340 -1.313 0.000 0.240 197 R C 2.134 178.265 176.300 -0.281 0.000 1.139 197 R CA 1.942 57.863 56.100 -0.298 0.000 0.952 197 R CB -0.679 29.434 30.300 -0.312 0.000 0.854 197 R HN 0.535 nan 8.270 nan 0.000 0.436 198 R N -0.622 119.608 120.500 -0.450 0.000 2.285 198 R HA -0.098 3.454 4.340 -1.313 0.000 0.213 198 R C 0.780 176.752 176.300 -0.547 0.000 1.068 198 R CA 1.332 57.106 56.100 -0.543 0.000 1.004 198 R CB -0.139 29.713 30.300 -0.746 0.000 0.873 198 R HN 0.273 nan 8.270 nan 0.000 0.467 199 Y N 0.210 120.400 120.300 -0.184 0.000 2.442 199 Y HA 0.296 4.058 4.550 -1.314 0.000 0.250 199 Y C 0.176 176.067 175.900 -0.014 0.000 1.113 199 Y CA -1.187 56.841 58.100 -0.120 0.000 1.273 199 Y CB -0.016 38.322 38.460 -0.203 0.000 1.138 199 Y HN -0.022 nan 8.280 nan 0.000 0.522 200 N N 1.140 119.899 118.700 0.098 0.000 2.416 200 N HA 0.230 4.182 4.740 -1.313 0.000 0.246 200 N C -0.191 175.390 175.510 0.119 0.000 1.260 200 N CA 0.210 53.338 53.050 0.130 0.000 0.897 200 N CB 1.175 39.717 38.487 0.091 0.000 1.110 200 N HN 0.038 nan 8.380 nan 0.000 0.439 201 V N -0.589 119.403 119.914 0.131 0.000 2.960 201 V HA 0.540 3.873 4.120 -1.313 0.000 0.315 201 V C -2.062 174.060 176.094 0.048 0.000 1.087 201 V CA -1.801 60.530 62.300 0.052 0.000 0.982 201 V CB 2.129 33.905 31.823 -0.078 0.000 1.039 201 V HN 0.379 nan 8.190 nan 0.000 0.437 202 P HA 0.224 nan 4.420 nan 0.000 0.221 202 P C 0.234 177.545 177.300 0.018 0.000 1.150 202 P CA 1.774 64.879 63.100 0.009 0.000 0.800 202 P CB 0.219 31.907 31.700 -0.020 0.000 0.787 203 A N -2.792 120.024 122.820 -0.005 0.000 2.604 203 A HA 0.452 3.984 4.320 -1.313 0.000 0.295 203 A C 1.036 178.621 177.584 0.003 0.000 1.067 203 A CA -0.264 51.775 52.037 0.003 0.000 0.683 203 A CB 0.026 18.989 19.000 -0.062 0.000 1.281 203 A HN -0.180 nan 8.150 nan 0.000 0.407 204 T N 1.827 116.432 114.554 0.086 0.000 2.665 204 T HA -0.073 3.489 4.350 -1.313 0.000 0.268 204 T C -0.845 173.822 174.700 -0.055 0.000 1.035 204 T CA 2.596 64.794 62.100 0.164 0.000 1.151 204 T CB -1.007 67.982 68.868 0.202 0.000 0.862 204 T HN 0.544 nan 8.240 nan 0.000 0.438 205 P HA -0.064 nan 4.420 nan 0.000 0.218 205 P C 1.035 178.169 177.300 -0.277 0.000 1.148 205 P CA 1.038 64.037 63.100 -0.169 0.000 0.822 205 P CB -0.101 31.498 31.700 -0.167 0.000 0.784 206 D N -0.759 119.424 120.400 -0.361 0.000 2.097 206 D HA -0.095 3.758 4.640 -1.313 0.000 0.197 206 D C 2.301 178.074 176.300 -0.878 0.000 0.984 206 D CA 1.723 55.342 54.000 -0.636 0.000 0.826 206 D CB -1.141 39.302 40.800 -0.595 0.000 0.973 206 D HN 0.161 nan 8.370 nan 0.000 0.460 207 G N 1.011 109.276 108.800 -0.891 0.000 2.418 207 G HA2 -0.198 2.974 3.960 -1.313 0.000 0.217 207 G HA3 -0.198 2.974 3.960 -1.313 0.000 0.217 207 G C 1.904 176.174 174.900 -1.049 0.000 1.158 207 G CA 0.785 45.014 45.100 -1.450 0.000 0.771 207 G HN 0.223 nan 8.290 nan 0.000 0.545 208 V N 0.642 120.142 119.914 -0.690 0.000 2.295 208 V HA -0.252 3.081 4.120 -1.313 0.000 0.246 208 V C 2.759 178.777 176.094 -0.127 0.000 1.049 208 V CA 2.288 64.457 62.300 -0.218 0.000 1.024 208 V CB -0.575 31.218 31.823 -0.049 0.000 0.648 208 V HN 0.528 nan 8.190 nan 0.000 0.447 209 Q N -0.880 118.824 119.800 -0.161 0.000 2.061 209 Q HA -0.251 3.302 4.340 -1.313 0.000 0.204 209 Q C 2.313 178.372 176.000 0.098 0.000 0.984 209 Q CA 2.116 57.895 55.803 -0.040 0.000 0.846 209 Q CB -0.221 28.476 28.738 -0.068 0.000 0.902 209 Q HN 0.653 nan 8.270 nan 0.000 0.421 210 Y N 0.329 120.551 120.300 -0.130 0.000 2.274 210 Y HA -0.197 3.567 4.550 -1.309 0.000 0.290 210 Y C 2.152 178.009 175.900 -0.071 0.000 1.145 210 Y CA 0.607 58.647 58.100 -0.101 0.000 1.203 210 Y CB -0.484 37.897 38.460 -0.132 0.000 0.984 210 Y HN 0.270 nan 8.280 nan 0.000 0.533 211 L N 0.332 121.607 121.223 0.087 0.000 2.084 211 L HA -0.122 3.430 4.340 -1.313 0.000 0.202 211 L C 2.222 179.131 176.870 0.065 0.000 1.074 211 L CA 1.815 56.699 54.840 0.073 0.000 0.757 211 L CB -0.656 41.461 42.059 0.096 0.000 0.918 211 L HN 0.152 nan 8.230 nan 0.000 0.444 212 K N -0.008 120.425 120.400 0.056 0.000 2.062 212 K HA -0.088 3.444 4.320 -1.313 0.000 0.205 212 K C 0.377 177.005 176.600 0.047 0.000 1.051 212 K CA 0.460 56.778 56.287 0.051 0.000 0.941 212 K CB 0.188 32.715 32.500 0.045 0.000 0.719 212 K HN 0.291 nan 8.250 nan 0.000 0.440 213 N N 1.581 120.312 118.700 0.052 0.000 2.495 213 N HA 0.092 4.044 4.740 -1.313 0.000 0.280 213 N C -1.063 174.470 175.510 0.037 0.000 1.168 213 N CA -0.237 52.841 53.050 0.047 0.000 0.978 213 N CB 0.970 39.490 38.487 0.055 0.000 1.191 213 N HN 0.073 nan 8.380 nan 0.000 0.497 214 D N 0.846 121.263 120.400 0.028 0.000 2.210 214 D HA 0.298 4.150 4.640 -1.313 0.000 0.249 214 D C -1.790 174.515 176.300 0.010 0.000 1.062 214 D CA -0.778 53.232 54.000 0.016 0.000 0.891 214 D CB 0.701 41.511 40.800 0.016 0.000 1.186 214 D HN 0.337 nan 8.370 nan 0.000 0.432 215 P HA 0.149 nan 4.420 nan 0.000 0.281 215 P C -0.202 177.082 177.300 -0.027 0.000 1.252 215 P CA -0.351 62.740 63.100 -0.014 0.000 0.778 215 P CB 1.029 32.714 31.700 -0.024 0.000 0.895 216 E N 2.065 122.256 120.200 -0.015 0.000 2.415 216 E HA -0.043 3.519 4.350 -1.313 0.000 0.263 216 E C 0.205 176.768 176.600 -0.062 0.000 0.995 216 E CA 0.118 56.509 56.400 -0.016 0.000 0.915 216 E CB 0.512 30.217 29.700 0.007 0.000 0.951 216 E HN 0.324 nan 8.360 nan 0.000 0.449 217 K N 3.284 123.626 120.400 -0.097 0.000 2.391 217 K HA 0.268 3.800 4.320 -1.313 0.000 0.197 217 K C -0.223 176.304 176.600 -0.121 0.000 1.087 217 K CA 0.028 56.199 56.287 -0.193 0.000 1.012 217 K CB 0.601 32.777 32.500 -0.541 0.000 0.925 217 K HN 0.440 nan 8.250 nan 0.000 0.547 218 L N 0.603 121.799 121.223 -0.045 0.000 2.401 218 L HA 0.280 3.832 4.340 -1.313 0.000 0.266 218 L C 0.039 176.884 176.870 -0.041 0.000 0.991 218 L CA -0.661 54.144 54.840 -0.059 0.000 0.818 218 L CB 2.146 44.234 42.059 0.049 0.000 1.321 218 L HN -0.057 nan 8.230 nan 0.000 0.413 219 D N 1.351 121.682 120.400 -0.114 0.000 2.271 219 D HA 0.176 4.029 4.640 -1.313 0.000 0.206 219 D C 0.307 176.625 176.300 0.030 0.000 0.967 219 D CA 0.677 54.657 54.000 -0.033 0.000 0.867 219 D CB 0.986 41.751 40.800 -0.057 0.000 0.960 219 D HN 0.522 nan 8.370 nan 0.000 0.509 220 A N 0.189 123.011 122.820 0.003 0.000 2.574 220 A HA 0.520 4.052 4.320 -1.313 0.000 0.297 220 A C -1.951 175.786 177.584 0.255 0.000 1.062 220 A CA -0.616 51.497 52.037 0.126 0.000 0.686 220 A CB 1.670 20.726 19.000 0.093 0.000 1.285 220 A HN -0.011 nan 8.150 nan 0.000 0.403 221 F N 2.304 122.314 119.950 0.100 0.000 2.507 221 F HA 0.702 4.439 4.527 -1.317 0.000 0.328 221 F C -1.084 174.802 175.800 0.144 0.000 1.136 221 F CA -1.353 56.719 58.000 0.120 0.000 0.930 221 F CB 1.050 40.107 39.000 0.095 0.000 1.166 221 F HN 0.451 nan 8.300 nan 0.000 0.436 222 I N 7.813 128.240 120.570 -0.239 0.000 2.342 222 I HA 0.466 3.848 4.170 -1.313 0.000 0.291 222 I C -0.289 175.479 176.117 -0.581 0.000 1.010 222 I CA -0.243 60.919 61.300 -0.231 0.000 1.308 222 I CB 1.348 39.414 38.000 0.109 0.000 1.400 222 I HN 0.671 nan 8.210 nan 0.000 0.488 223 M N 4.708 124.044 119.600 -0.440 0.000 3.012 223 M HA 0.315 4.007 4.480 -1.313 0.000 0.272 223 M C -1.881 174.287 176.300 -0.221 0.000 1.187 223 M CA -0.753 54.316 55.300 -0.385 0.000 0.813 223 M CB 1.382 33.642 32.600 -0.568 0.000 1.626 223 M HN 0.281 nan 8.290 nan 0.000 0.507 224 D N 2.149 122.460 120.400 -0.149 0.000 2.586 224 D HA 0.022 3.875 4.640 -1.313 0.000 0.234 224 D C 0.664 176.941 176.300 -0.037 0.000 1.132 224 D CA 0.456 54.396 54.000 -0.099 0.000 0.860 224 D CB 0.645 41.453 40.800 0.014 0.000 1.159 224 D HN 0.522 nan 8.370 nan 0.000 0.490 225 K N 2.343 122.699 120.400 -0.072 0.000 2.103 225 K HA -0.207 3.325 4.320 -1.313 0.000 0.207 225 K C 1.789 178.467 176.600 0.130 0.000 1.048 225 K CA 1.232 57.524 56.287 0.009 0.000 0.930 225 K CB 0.047 32.527 32.500 -0.034 0.000 0.716 225 K HN 0.461 nan 8.250 nan 0.000 0.444 226 A N 0.878 123.798 122.820 0.167 0.000 1.978 226 A HA -0.154 3.378 4.320 -1.313 0.000 0.220 226 A C 1.983 179.847 177.584 0.466 0.000 1.170 226 A CA 1.342 53.599 52.037 0.367 0.000 0.636 226 A CB -0.461 18.783 19.000 0.408 0.000 0.810 226 A HN 0.282 nan 8.150 nan 0.000 0.448 227 L N -1.093 120.328 121.223 0.331 0.000 2.127 227 L HA -0.043 3.509 4.340 -1.313 0.000 0.203 227 L C 2.484 179.540 176.870 0.309 0.000 1.080 227 L CA 0.624 55.655 54.840 0.318 0.000 0.768 227 L CB -0.549 41.642 42.059 0.220 0.000 0.924 227 L HN 0.329 nan 8.230 nan 0.000 0.444 228 L N -0.256 121.106 121.223 0.232 0.000 2.046 228 L HA -0.222 3.331 4.340 -1.313 0.000 0.208 228 L C 2.219 179.224 176.870 0.225 0.000 1.077 228 L CA 1.048 56.014 54.840 0.210 0.000 0.747 228 L CB -0.671 41.474 42.059 0.143 0.000 0.896 228 L HN 0.266 nan 8.230 nan 0.000 0.432 229 D N -0.750 119.806 120.400 0.259 0.000 2.149 229 D HA -0.242 3.610 4.640 -1.313 0.000 0.198 229 D C 1.902 178.406 176.300 0.340 0.000 0.990 229 D CA 1.285 55.450 54.000 0.276 0.000 0.839 229 D CB -0.166 40.812 40.800 0.297 0.000 0.948 229 D HN 0.319 nan 8.370 nan 0.000 0.460 230 Y N 1.882 122.371 120.300 0.315 0.000 2.145 230 Y HA -0.168 3.597 4.550 -1.308 0.000 0.286 230 Y C 2.100 178.086 175.900 0.144 0.000 1.145 230 Y CA 1.439 59.660 58.100 0.203 0.000 1.148 230 Y CB 0.034 38.492 38.460 -0.003 0.000 0.981 230 Y HN -0.154 nan 8.280 nan 0.000 0.507 231 E N -0.282 119.980 120.200 0.104 0.000 2.085 231 E HA -0.170 3.392 4.350 -1.313 0.000 0.194 231 E C 2.424 179.017 176.600 -0.012 0.000 0.994 231 E CA 1.520 57.931 56.400 0.019 0.000 0.801 231 E CB -0.576 29.201 29.700 0.130 0.000 0.743 231 E HN 0.424 nan 8.360 nan 0.000 0.453 232 V N 1.830 121.774 119.914 0.050 0.000 2.343 232 V HA -0.246 3.086 4.120 -1.313 0.000 0.247 232 V C 2.639 178.739 176.094 0.011 0.000 1.051 232 V CA 1.975 64.304 62.300 0.048 0.000 1.036 232 V CB -0.766 31.107 31.823 0.083 0.000 0.654 232 V HN 0.331 nan 8.190 nan 0.000 0.451 233 S N 1.238 116.934 115.700 -0.006 0.000 2.423 233 S HA -0.112 3.571 4.470 -1.313 0.000 0.231 233 S C 1.804 176.351 174.600 -0.088 0.000 1.014 233 S CA 1.586 59.776 58.200 -0.016 0.000 0.965 233 S CB -0.680 62.548 63.200 0.048 0.000 0.785 233 S HN 0.780 nan 8.310 nan 0.000 0.495 234 I N -0.607 119.850 120.570 -0.188 0.000 3.883 234 I HA 0.349 3.731 4.170 -1.313 0.000 0.326 234 I C 0.084 176.161 176.117 -0.066 0.000 1.283 234 I CA -0.309 60.896 61.300 -0.159 0.000 1.161 234 I CB -0.354 37.488 38.000 -0.264 0.000 1.012 234 I HN -0.010 nan 8.210 nan 0.000 0.421 235 D N 2.151 122.528 120.400 -0.039 0.000 2.338 235 D HA 0.364 4.217 4.640 -1.313 0.000 0.255 235 D C 1.278 177.580 176.300 0.004 0.000 1.237 235 D CA 0.365 54.363 54.000 -0.004 0.000 0.883 235 D CB 1.734 42.542 40.800 0.013 0.000 1.087 235 D HN 0.298 nan 8.370 nan 0.000 0.485 236 A N 4.351 127.176 122.820 0.008 0.000 1.835 236 A HA -0.190 3.342 4.320 -1.313 0.000 0.215 236 A C 1.792 179.385 177.584 0.015 0.000 1.199 236 A CA 1.421 53.465 52.037 0.011 0.000 0.615 236 A CB -0.532 18.475 19.000 0.012 0.000 0.838 236 A HN 0.731 nan 8.150 nan 0.000 0.444 237 D N -1.169 119.242 120.400 0.018 0.000 2.254 237 D HA -0.232 3.620 4.640 -1.313 0.000 0.201 237 D C 1.119 177.432 176.300 0.023 0.000 0.998 237 D CA 1.582 55.594 54.000 0.021 0.000 0.885 237 D CB -0.783 40.031 40.800 0.023 0.000 0.915 237 D HN 0.771 nan 8.370 nan 0.000 0.460 238 C N 0.615 119.930 119.300 0.024 0.000 4.545 238 C HA -0.176 3.496 4.460 -1.313 0.000 0.300 238 C C 1.444 176.453 174.990 0.032 0.000 1.337 238 C CA 0.793 59.827 59.018 0.028 0.000 2.032 238 C CB -2.442 25.314 27.740 0.025 0.000 1.236 238 C HN 0.590 nan 8.230 nan 0.000 0.774 239 K N -0.050 120.370 120.400 0.035 0.000 2.358 239 K HA 0.447 3.979 4.320 -1.313 0.000 0.197 239 K C 0.334 176.962 176.600 0.048 0.000 1.025 239 K CA 0.008 56.318 56.287 0.038 0.000 1.104 239 K CB 0.228 32.750 32.500 0.037 0.000 0.855 239 K HN 0.673 nan 8.250 nan 0.000 0.531 240 L N 1.951 123.205 121.223 0.051 0.000 2.342 240 L HA 0.572 4.124 4.340 -1.313 0.000 0.271 240 L C -0.718 176.192 176.870 0.067 0.000 1.008 240 L CA -1.240 53.639 54.840 0.065 0.000 0.818 240 L CB 1.790 43.893 42.059 0.072 0.000 1.296 240 L HN 0.015 nan 8.230 nan 0.000 0.427 241 L N 0.790 122.058 121.223 0.076 0.000 2.393 241 L HA 0.628 4.180 4.340 -1.313 0.000 0.260 241 L C -0.340 176.582 176.870 0.087 0.000 1.002 241 L CA -0.715 54.169 54.840 0.074 0.000 0.818 241 L CB 2.569 44.666 42.059 0.063 0.000 1.369 241 L HN 0.582 nan 8.230 nan 0.000 0.412 242 T N -0.483 114.121 114.554 0.084 0.000 2.829 242 T HA 0.737 4.300 4.350 -1.313 0.000 0.282 242 T C -0.316 174.430 174.700 0.076 0.000 0.990 242 T CA -0.720 61.433 62.100 0.087 0.000 1.028 242 T CB 1.675 70.595 68.868 0.087 0.000 0.951 242 T HN 0.509 nan 8.240 nan 0.000 0.460 243 V N -0.952 119.010 119.914 0.081 0.000 3.001 243 V HA 1.030 4.362 4.120 -1.313 0.000 0.314 243 V C 0.414 176.556 176.094 0.080 0.000 1.099 243 V CA -0.159 62.183 62.300 0.069 0.000 0.989 243 V CB 0.809 32.666 31.823 0.057 0.000 1.040 243 V HN 1.832 nan 8.190 nan 0.000 0.434 244 G N 1.422 110.261 108.800 0.065 0.000 2.707 244 G HA2 -0.036 3.136 3.960 -1.313 0.000 0.686 244 G HA3 -0.036 3.136 3.960 -1.313 0.000 0.686 244 G C -0.681 174.277 174.900 0.097 0.000 1.315 244 G CA -0.551 44.591 45.100 0.069 0.000 0.832 244 G HN 0.994 nan 8.290 nan 0.000 0.573 245 K N 0.673 121.134 120.400 0.102 0.000 2.258 245 K HA 0.378 3.910 4.320 -1.313 0.000 0.264 245 K C -1.976 174.751 176.600 0.211 0.000 1.007 245 K CA -1.096 55.264 56.287 0.122 0.000 0.941 245 K CB 0.333 32.900 32.500 0.111 0.000 0.966 245 K HN 0.356 nan 8.250 nan 0.000 0.480 246 P HA 0.150 nan 4.420 nan 0.000 0.269 246 P C -0.733 176.730 177.300 0.272 0.000 1.215 246 P CA 0.001 63.179 63.100 0.130 0.000 0.780 246 P CB 0.208 31.924 31.700 0.026 0.000 0.898 247 F N -2.595 117.314 119.950 -0.069 0.000 2.678 247 F HA 0.676 4.416 4.527 -1.311 0.000 0.308 247 F C -0.414 175.234 175.800 -0.253 0.000 1.118 247 F CA -1.368 56.569 58.000 -0.105 0.000 0.959 247 F CB 0.860 39.831 39.000 -0.048 0.000 1.305 247 F HN 0.519 nan 8.300 nan 0.000 0.443 248 A N 2.068 124.729 122.820 -0.266 0.000 2.667 248 A HA -0.198 3.335 4.320 -1.313 0.000 0.298 248 A C -0.336 177.005 177.584 -0.404 0.000 1.483 248 A CA 0.622 52.346 52.037 -0.522 0.000 0.738 248 A CB -2.636 15.667 19.000 -1.162 0.000 1.067 248 A HN 0.780 nan 8.150 nan 0.000 0.451 249 I N 0.053 120.463 120.570 -0.266 0.000 2.618 249 I HA 0.256 3.638 4.170 -1.313 0.000 0.284 249 I C 0.818 176.794 176.117 -0.235 0.000 1.146 249 I CA 0.801 61.953 61.300 -0.247 0.000 1.425 249 I CB 0.544 38.435 38.000 -0.181 0.000 1.383 249 I HN 0.532 nan 8.210 nan 0.000 0.562 250 E N 3.527 123.568 120.200 -0.265 0.000 2.340 250 E HA 0.472 4.034 4.350 -1.313 0.000 0.273 250 E C -0.339 176.077 176.600 -0.305 0.000 0.891 250 E CA -0.829 55.414 56.400 -0.262 0.000 0.757 250 E CB 2.123 31.675 29.700 -0.247 0.000 1.231 250 E HN 0.699 nan 8.360 nan 0.000 0.439 251 G N 0.875 109.498 108.800 -0.295 0.000 2.507 251 G HA2 0.272 3.444 3.960 -1.313 0.000 0.271 251 G HA3 0.272 3.444 3.960 -1.313 0.000 0.271 251 G C -1.052 173.679 174.900 -0.281 0.000 1.189 251 G CA -0.124 44.788 45.100 -0.313 0.000 0.859 251 G HN 0.225 nan 8.290 nan 0.000 0.542 252 Y N -0.226 119.793 120.300 -0.469 0.000 2.323 252 Y HA 0.643 4.414 4.550 -1.298 0.000 0.331 252 Y C 0.841 176.318 175.900 -0.706 0.000 1.092 252 Y CA -1.154 56.561 58.100 -0.642 0.000 1.150 252 Y CB 1.835 39.705 38.460 -0.983 0.000 1.200 252 Y HN 0.708 nan 8.280 nan 0.000 0.472 253 G N 2.149 110.881 108.800 -0.112 0.000 2.694 253 G HA2 0.610 3.782 3.960 -1.313 0.000 0.290 253 G HA3 0.610 3.782 3.960 -1.313 0.000 0.290 253 G C -1.482 173.759 174.900 0.568 0.000 1.386 253 G CA -0.955 44.285 45.100 0.234 0.000 0.872 253 G HN 0.507 nan 8.290 nan 0.000 0.475 254 I N 1.181 122.079 120.570 0.547 0.000 2.416 254 I HA 0.355 3.738 4.170 -1.313 0.000 0.288 254 I C 1.143 177.411 176.117 0.253 0.000 1.051 254 I CA -0.215 61.323 61.300 0.397 0.000 1.375 254 I CB 1.292 39.444 38.000 0.254 0.000 1.407 254 I HN 0.481 nan 8.210 nan 0.000 0.516 255 G N 6.965 115.895 108.800 0.216 0.000 2.356 255 G HA2 0.648 3.820 3.960 -1.313 0.000 0.298 255 G HA3 0.648 3.820 3.960 -1.313 0.000 0.298 255 G C -0.823 174.013 174.900 -0.107 0.000 1.145 255 G CA -0.331 44.692 45.100 -0.128 0.000 0.850 255 G HN 0.428 nan 8.290 nan 0.000 0.487 256 L N 2.432 123.529 121.223 -0.209 0.000 2.359 256 L HA 0.505 4.057 4.340 -1.313 0.000 0.256 256 L C -2.142 174.632 176.870 -0.160 0.000 1.026 256 L CA -2.184 52.572 54.840 -0.139 0.000 0.828 256 L CB 3.128 45.124 42.059 -0.104 0.000 1.406 256 L HN 0.308 nan 8.230 nan 0.000 0.413 257 P HA 0.075 nan 4.420 nan 0.000 0.269 257 P C -2.660 174.577 177.300 -0.106 0.000 1.217 257 P CA -1.082 61.958 63.100 -0.101 0.000 0.783 257 P CB -0.630 31.033 31.700 -0.063 0.000 0.898 258 P HA -0.020 nan 4.420 nan 0.000 0.268 258 P C -0.341 176.924 177.300 -0.057 0.000 1.204 258 P CA 0.327 63.376 63.100 -0.086 0.000 0.768 258 P CB -0.234 31.421 31.700 -0.074 0.000 0.842 259 N N -1.263 117.408 118.700 -0.048 0.000 2.725 259 N HA -0.189 3.764 4.740 -1.313 0.000 0.249 259 N C -0.033 175.458 175.510 -0.032 0.000 1.103 259 N CA 0.699 53.730 53.050 -0.032 0.000 0.707 259 N CB -1.878 36.594 38.487 -0.024 0.000 1.043 259 N HN 0.470 nan 8.380 nan 0.000 0.553 260 S N 0.751 116.426 115.700 -0.042 0.000 2.546 260 S HA 0.119 3.801 4.470 -1.313 0.000 0.290 260 S C -0.613 173.971 174.600 -0.028 0.000 1.290 260 S CA -1.101 57.075 58.200 -0.040 0.000 1.069 260 S CB 0.788 63.955 63.200 -0.054 0.000 0.846 260 S HN 0.154 nan 8.310 nan 0.000 0.495 261 P HA 0.005 nan 4.420 nan 0.000 0.233 261 P C 1.109 178.401 177.300 -0.013 0.000 1.167 261 P CA 0.643 63.735 63.100 -0.014 0.000 0.770 261 P CB 0.048 31.742 31.700 -0.010 0.000 0.837 262 L N -0.905 120.303 121.223 -0.025 0.000 2.240 262 L HA -0.033 3.519 4.340 -1.313 0.000 0.211 262 L C 2.365 179.228 176.870 -0.012 0.000 1.106 262 L CA 1.167 55.992 54.840 -0.025 0.000 0.793 262 L CB -1.516 40.505 42.059 -0.063 0.000 0.927 262 L HN -0.031 nan 8.230 nan 0.000 0.446 263 T N -0.095 114.451 114.554 -0.014 0.000 2.684 263 T HA -0.200 3.362 4.350 -1.313 0.000 0.267 263 T C 2.155 176.864 174.700 0.015 0.000 1.036 263 T CA 1.935 64.036 62.100 0.001 0.000 1.148 263 T CB -0.264 68.601 68.868 -0.005 0.000 0.863 263 T HN 0.548 nan 8.240 nan 0.000 0.436 264 S N 1.998 117.704 115.700 0.010 0.000 2.402 264 S HA -0.096 3.586 4.470 -1.313 0.000 0.229 264 S C 1.858 176.465 174.600 0.012 0.000 1.021 264 S CA 1.165 59.372 58.200 0.012 0.000 0.974 264 S CB -0.581 62.624 63.200 0.008 0.000 0.800 264 S HN 0.462 nan 8.310 nan 0.000 0.484 265 N N 1.955 120.664 118.700 0.014 0.000 2.142 265 N HA 0.162 4.114 4.740 -1.313 0.000 0.186 265 N C 1.624 177.144 175.510 0.015 0.000 1.023 265 N CA 1.490 54.550 53.050 0.016 0.000 0.852 265 N CB -0.473 38.032 38.487 0.030 0.000 0.998 265 N HN 0.445 nan 8.380 nan 0.000 0.424 266 I N -0.116 120.473 120.570 0.031 0.000 2.315 266 I HA -0.180 3.202 4.170 -1.313 0.000 0.248 266 I C 1.837 177.969 176.117 0.025 0.000 1.117 266 I CA 0.777 62.104 61.300 0.044 0.000 1.404 266 I CB -0.190 37.852 38.000 0.070 0.000 1.071 266 I HN 0.071 nan 8.210 nan 0.000 0.419 267 S N 0.325 116.045 115.700 0.034 0.000 2.382 267 S HA -0.220 3.463 4.470 -1.313 0.000 0.228 267 S C 1.919 176.520 174.600 0.001 0.000 1.027 267 S CA 1.525 59.749 58.200 0.041 0.000 0.991 267 S CB -0.236 62.990 63.200 0.044 0.000 0.823 267 S HN 0.417 nan 8.310 nan 0.000 0.469 268 E N 1.665 121.854 120.200 -0.019 0.000 2.077 268 E HA -0.071 3.492 4.350 -1.313 0.000 0.193 268 E C 1.842 178.372 176.600 -0.117 0.000 0.989 268 E CA 1.118 57.494 56.400 -0.040 0.000 0.800 268 E CB -0.446 29.238 29.700 -0.026 0.000 0.746 268 E HN 0.464 nan 8.360 nan 0.000 0.452 269 L N -0.087 121.016 121.223 -0.200 0.000 2.056 269 L HA -0.104 3.449 4.340 -1.313 0.000 0.207 269 L C 2.549 178.956 176.870 -0.773 0.000 1.078 269 L CA 0.987 55.523 54.840 -0.507 0.000 0.749 269 L CB -0.372 41.396 42.059 -0.486 0.000 0.901 269 L HN 0.203 nan 8.230 nan 0.000 0.433 270 I N -0.832 119.527 120.570 -0.353 0.000 2.151 270 I HA -0.383 3.000 4.170 -1.313 0.000 0.243 270 I C 2.860 179.000 176.117 0.038 0.000 1.080 270 I CA 1.569 62.831 61.300 -0.063 0.000 1.339 270 I CB -0.317 37.778 38.000 0.159 0.000 1.039 270 I HN 0.251 nan 8.210 nan 0.000 0.409 271 S N 0.069 115.777 115.700 0.013 0.000 2.359 271 S HA -0.328 3.354 4.470 -1.313 0.000 0.224 271 S C 2.090 176.754 174.600 0.107 0.000 1.035 271 S CA 2.111 60.350 58.200 0.064 0.000 1.018 271 S CB -0.337 62.886 63.200 0.038 0.000 0.876 271 S HN 0.501 nan 8.310 nan 0.000 0.448 272 Q N -1.093 118.736 119.800 0.048 0.000 2.061 272 Q HA -0.188 3.364 4.340 -1.313 0.000 0.204 272 Q C 1.916 178.145 176.000 0.381 0.000 0.984 272 Q CA 2.052 57.956 55.803 0.167 0.000 0.846 272 Q CB -0.361 28.360 28.738 -0.028 0.000 0.902 272 Q HN 0.699 nan 8.270 nan 0.000 0.421 273 Y N 0.917 121.342 120.300 0.209 0.000 2.165 273 Y HA -0.182 3.578 4.550 -1.316 0.000 0.286 273 Y C 2.222 178.320 175.900 0.330 0.000 1.155 273 Y CA 1.156 59.423 58.100 0.278 0.000 1.164 273 Y CB -0.547 38.133 38.460 0.366 0.000 0.978 273 Y HN 0.142 nan 8.280 nan 0.000 0.513 274 K N 0.103 120.762 120.400 0.432 0.000 2.002 274 K HA -0.139 3.393 4.320 -1.313 0.000 0.209 274 K C 2.083 178.820 176.600 0.228 0.000 1.048 274 K CA 1.911 58.378 56.287 0.299 0.000 0.930 274 K CB -0.426 32.205 32.500 0.218 0.000 0.714 274 K HN 0.353 nan 8.250 nan 0.000 0.438 275 S N 0.146 115.971 115.700 0.208 0.000 2.607 275 S HA -0.042 3.640 4.470 -1.313 0.000 0.224 275 S C 0.808 175.355 174.600 -0.088 0.000 0.969 275 S CA 0.527 58.763 58.200 0.059 0.000 0.927 275 S CB -0.250 62.959 63.200 0.016 0.000 0.772 275 S HN 0.331 nan 8.310 nan 0.000 0.533 276 H N 0.195 119.356 119.070 0.151 0.000 2.592 276 H HA 0.481 4.250 4.556 -1.313 0.000 0.279 276 H C 1.529 176.951 175.328 0.156 0.000 1.089 276 H CA -0.077 56.053 56.048 0.136 0.000 1.150 276 H CB 0.550 30.391 29.762 0.131 0.000 1.575 276 H HN 0.445 nan 8.280 nan 0.000 0.547 277 G N 0.268 109.213 108.800 0.242 0.000 2.195 277 G HA2 -0.389 2.783 3.960 -1.313 0.000 0.246 277 G HA3 -0.389 2.783 3.960 -1.313 0.000 0.246 277 G C 1.025 176.080 174.900 0.259 0.000 0.984 277 G CA 0.413 45.635 45.100 0.203 0.000 0.633 277 G HN 0.400 nan 8.290 nan 0.000 0.525 278 F N 0.859 120.891 119.950 0.136 0.000 2.171 278 F HA 0.214 3.951 4.527 -1.316 0.000 0.300 278 F C 2.519 178.378 175.800 0.099 0.000 1.090 278 F CA 2.373 60.416 58.000 0.071 0.000 1.293 278 F CB -0.206 38.787 39.000 -0.010 0.000 1.013 278 F HN 0.190 nan 8.300 nan 0.000 0.486 279 M N 0.263 119.959 119.600 0.161 0.000 2.213 279 M HA -0.170 3.523 4.480 -1.313 0.000 0.263 279 M C 1.713 178.117 176.300 0.173 0.000 1.062 279 M CA 1.319 56.711 55.300 0.154 0.000 1.105 279 M CB -0.846 31.947 32.600 0.322 0.000 1.385 279 M HN -0.034 nan 8.290 nan 0.000 0.417 280 D N -0.620 119.864 120.400 0.140 0.000 2.097 280 D HA -0.119 3.734 4.640 -1.313 0.000 0.195 280 D C 2.196 178.577 176.300 0.135 0.000 0.989 280 D CA 1.199 55.280 54.000 0.135 0.000 0.827 280 D CB -0.376 40.481 40.800 0.095 0.000 0.966 280 D HN 0.142 nan 8.370 nan 0.000 0.456 281 V N 0.942 120.889 119.914 0.055 0.000 2.332 281 V HA -0.216 3.117 4.120 -1.313 0.000 0.248 281 V C 2.581 178.637 176.094 -0.063 0.000 1.055 281 V CA 1.210 63.511 62.300 0.002 0.000 1.038 281 V CB -0.392 31.442 31.823 0.018 0.000 0.651 281 V HN 0.216 nan 8.190 nan 0.000 0.450 282 L N -0.850 120.254 121.223 -0.199 0.000 2.109 282 L HA -0.155 3.397 4.340 -1.313 0.000 0.207 282 L C 2.628 179.638 176.870 0.234 0.000 1.086 282 L CA 1.713 56.432 54.840 -0.201 0.000 0.760 282 L CB -0.893 40.656 42.059 -0.850 0.000 0.910 282 L HN 0.481 nan 8.230 nan 0.000 0.437 283 H N 0.724 119.996 119.070 0.337 0.000 2.321 283 H HA -0.190 3.578 4.556 -1.313 0.000 0.300 283 H C 1.497 177.071 175.328 0.411 0.000 1.087 283 H CA 2.101 58.499 56.048 0.583 0.000 1.319 283 H CB 0.182 30.213 29.762 0.448 0.000 1.379 283 H HN 0.325 nan 8.280 nan 0.000 0.501 284 D N 0.554 121.132 120.400 0.295 0.000 2.149 284 D HA -0.109 3.743 4.640 -1.313 0.000 0.201 284 D C 2.309 178.626 176.300 0.028 0.000 0.972 284 D CA 0.718 54.821 54.000 0.172 0.000 0.835 284 D CB -0.143 40.752 40.800 0.160 0.000 0.966 284 D HN 0.400 nan 8.370 nan 0.000 0.476 285 K N -0.243 120.115 120.400 -0.070 0.000 2.002 285 K HA -0.157 3.376 4.320 -1.313 0.000 0.209 285 K C 1.894 178.250 176.600 -0.406 0.000 1.048 285 K CA 1.272 57.357 56.287 -0.337 0.000 0.930 285 K CB -0.155 31.994 32.500 -0.584 0.000 0.714 285 K HN 0.160 nan 8.250 nan 0.000 0.438 286 W N -0.906 120.411 121.300 0.029 0.000 2.640 286 W HA 0.049 3.931 4.660 -1.296 0.000 0.268 286 W C 1.117 177.573 176.519 -0.106 0.000 1.263 286 W CA -0.079 57.249 57.345 -0.029 0.000 1.344 286 W CB 0.146 29.589 29.460 -0.028 0.000 1.093 286 W HN 0.084 nan 8.180 nan 0.000 0.603 287 Y N 0.710 121.060 120.300 0.085 0.000 2.461 287 Y HA 0.118 3.881 4.550 -1.312 0.000 0.277 287 Y C 0.627 176.585 175.900 0.097 0.000 1.182 287 Y CA 0.159 58.324 58.100 0.107 0.000 1.276 287 Y CB -0.352 38.014 38.460 -0.157 0.000 1.087 287 Y HN -0.160 nan 8.280 nan 0.000 0.519 288 K N -0.387 120.099 120.400 0.144 0.000 3.125 288 K HA -0.147 3.385 4.320 -1.313 0.000 0.268 288 K C -0.867 175.782 176.600 0.080 0.000 1.078 288 K CA 0.191 56.520 56.287 0.071 0.000 0.775 288 K CB -2.161 30.387 32.500 0.080 0.000 1.253 288 K HN 0.005 nan 8.250 nan 0.000 0.486 289 V N 1.194 121.163 119.914 0.092 0.000 2.455 289 V HA 0.295 3.627 4.120 -1.313 0.000 0.273 289 V C 1.198 177.327 176.094 0.058 0.000 1.045 289 V CA -0.025 62.336 62.300 0.101 0.000 0.976 289 V CB 1.167 33.087 31.823 0.162 0.000 0.993 289 V HN 0.324 nan 8.190 nan 0.000 0.475 290 V N 0.000 119.942 119.914 0.047 0.000 2.409 290 V HA 0.000 3.332 4.120 -1.313 0.000 0.244 290 V CA 0.000 62.316 62.300 0.027 0.000 1.235 290 V CB 0.000 31.839 31.823 0.027 0.000 1.184 290 V HN 0.000 nan 8.190 nan 0.000 0.556