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 3obk_1_F DATA FIRST_RESID 5 DATA SEQUENCE GPLDNNNYGE VWLPIQARPR RNRKNRAVRQ LVQENLVKPS SLIYPLFVHD DATA SEQUENCE EETSVPIPSM PGQSRLSMED LLKEVGEARS YGIKAFMLFP KVDDELKSVM DATA SEQUENCE AEESYNPDGL LPRAIMALKE AFPDVLLLAD VALDPYSSMG HDGVVDEQSG DATA SEQUENCE KIVNDLTVHQ LCKQAITLAR AGADMVCPSD MMDGRVSAIR ESLDMEGCTD DATA SEQUENCE TSILAYSCKY ASSFYGPFRD ALDSHMVGGT DKKTYQMDPS NSREAEREAE DATA SEQUENCE ADASEGADML MVKPGLPYLD VLAKIREKSK LPMVAYHVSG EYAMLKAAAE DATA SEQUENCE KGYISEKDTV LEVLKSFRRA GADAVATYYA KEAAKWMVED MKGTQKFTEP DATA SEQUENCE CY 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 5 G C 0.000 174.867 174.900 -0.055 0.000 0.946 5 G CA 0.000 45.078 45.100 -0.037 0.000 0.502 6 P HA 0.225 nan 4.420 nan 0.000 0.224 6 P C 0.556 177.780 177.300 -0.128 0.000 1.157 6 P CA 0.304 63.348 63.100 -0.093 0.000 0.799 6 P CB 0.300 31.952 31.700 -0.080 0.000 0.809 7 L N 0.843 122.009 121.223 -0.095 0.000 2.319 7 L HA 0.220 4.560 4.340 -0.000 0.000 0.280 7 L C 0.704 177.522 176.870 -0.086 0.000 1.099 7 L CA -0.218 54.564 54.840 -0.097 0.000 0.828 7 L CB 0.390 42.426 42.059 -0.039 0.000 1.150 7 L HN -0.027 nan 8.230 nan 0.000 0.442 8 D N 1.854 122.179 120.400 -0.125 0.000 2.595 8 D HA 0.373 5.013 4.640 -0.000 0.000 0.268 8 D C -0.736 175.658 176.300 0.157 0.000 1.181 8 D CA -0.461 53.525 54.000 -0.022 0.000 1.085 8 D CB 1.243 41.972 40.800 -0.118 0.000 1.186 8 D HN 0.346 nan 8.370 nan 0.000 0.621 9 N N 0.576 119.429 118.700 0.256 0.000 2.269 9 N HA 0.214 4.954 4.740 -0.000 0.000 0.304 9 N C -0.344 175.393 175.510 0.379 0.000 1.072 9 N CA -0.575 52.642 53.050 0.279 0.000 0.802 9 N CB 1.573 40.148 38.487 0.146 0.000 1.348 9 N HN 0.434 nan 8.380 nan 0.000 0.484 10 N N 0.649 119.477 118.700 0.213 0.000 2.322 10 N HA 0.088 4.828 4.740 -0.000 0.000 0.270 10 N C 0.445 175.895 175.510 -0.100 0.000 1.286 10 N CA -0.064 52.916 53.050 -0.117 0.000 0.948 10 N CB 0.167 38.452 38.487 -0.336 0.000 1.164 10 N HN 0.241 nan 8.380 nan 0.000 0.551 11 N N -1.553 116.997 118.700 -0.250 0.000 2.520 11 N HA -0.084 4.655 4.740 -0.000 0.000 0.185 11 N C 0.002 175.258 175.510 -0.423 0.000 1.068 11 N CA 0.813 53.661 53.050 -0.336 0.000 0.911 11 N CB -0.377 37.834 38.487 -0.460 0.000 0.961 11 N HN 0.526 nan 8.380 nan 0.000 0.446 12 Y N -0.865 119.399 120.300 -0.061 0.000 2.524 12 Y HA 0.347 4.897 4.550 -0.000 0.000 0.266 12 Y C 1.712 177.602 175.900 -0.016 0.000 1.180 12 Y CA -0.137 57.940 58.100 -0.038 0.000 1.244 12 Y CB 0.106 38.538 38.460 -0.048 0.000 1.125 12 Y HN 0.053 nan 8.280 nan 0.000 0.524 13 G N 0.065 108.919 108.800 0.089 0.000 2.179 13 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 13 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 13 G C 0.179 175.135 174.900 0.093 0.000 0.977 13 G CA 0.117 45.266 45.100 0.082 0.000 0.641 13 G HN 0.414 nan 8.290 nan 0.000 0.533 14 E N 0.015 120.278 120.200 0.105 0.000 2.404 14 E HA 0.419 4.769 4.350 -0.000 0.000 0.261 14 E C 0.936 177.618 176.600 0.135 0.000 1.074 14 E CA -0.297 56.161 56.400 0.097 0.000 0.917 14 E CB 1.222 30.970 29.700 0.080 0.000 0.965 14 E HN 0.172 nan 8.360 nan 0.000 0.433 15 V N 2.667 122.656 119.914 0.124 0.000 2.763 15 V HA -0.038 4.082 4.120 -0.000 0.000 0.306 15 V C -0.551 175.694 176.094 0.251 0.000 1.059 15 V CA 0.545 62.934 62.300 0.150 0.000 1.138 15 V CB 0.049 31.928 31.823 0.093 0.000 0.940 15 V HN 0.652 nan 8.190 nan 0.000 0.489 16 W N 6.570 127.878 121.300 0.013 0.000 3.089 16 W HA 0.511 5.171 4.660 -0.000 0.000 0.333 16 W C -1.760 174.763 176.519 0.007 0.000 1.053 16 W CA -1.396 55.957 57.345 0.013 0.000 1.257 16 W CB 1.222 30.691 29.460 0.016 0.000 1.281 16 W HN 0.426 nan 8.180 nan 0.000 0.427 17 L N 9.973 131.142 121.223 -0.091 0.000 2.268 17 L HA 0.524 4.864 4.340 -0.000 0.000 0.289 17 L C -1.779 174.809 176.870 -0.470 0.000 1.064 17 L CA -1.974 52.702 54.840 -0.274 0.000 0.824 17 L CB 0.823 42.830 42.059 -0.086 0.000 1.202 17 L HN 0.238 nan 8.230 nan 0.000 0.433 18 P HA 0.141 nan 4.420 nan 0.000 0.246 18 P C 0.064 177.240 177.300 -0.207 0.000 1.686 18 P CA 0.093 62.768 63.100 -0.709 0.000 0.867 18 P CB -0.361 30.752 31.700 -0.979 0.000 1.733 19 I N 0.170 120.682 120.570 -0.097 0.000 2.471 19 I HA -0.006 4.164 4.170 -0.000 0.000 0.286 19 I C 1.383 177.528 176.117 0.047 0.000 1.079 19 I CA -0.103 61.184 61.300 -0.023 0.000 1.398 19 I CB 1.031 39.021 38.000 -0.017 0.000 1.403 19 I HN 0.053 nan 8.210 nan 0.000 0.530 20 Q N 5.532 125.356 119.800 0.040 0.000 1.994 20 Q HA 0.014 4.354 4.340 -0.000 0.000 0.198 20 Q C 0.693 176.724 176.000 0.051 0.000 0.976 20 Q CA 1.132 56.971 55.803 0.061 0.000 0.828 20 Q CB -0.097 28.667 28.738 0.044 0.000 0.894 20 Q HN 0.816 nan 8.270 nan 0.000 0.432 21 A N 1.451 124.290 122.820 0.031 0.000 2.409 21 A HA 0.288 4.608 4.320 -0.000 0.000 0.267 21 A C -0.427 177.173 177.584 0.027 0.000 1.127 21 A CA 0.037 52.089 52.037 0.025 0.000 0.795 21 A CB 0.172 19.181 19.000 0.015 0.000 1.061 21 A HN 0.196 nan 8.150 nan 0.000 0.502 22 R N 3.423 123.940 120.500 0.029 0.000 2.443 22 R HA 0.258 4.597 4.340 -0.000 0.000 0.287 22 R C -2.205 174.106 176.300 0.018 0.000 1.425 22 R CA -1.474 54.643 56.100 0.027 0.000 1.300 22 R CB 1.257 31.581 30.300 0.039 0.000 1.129 22 R HN 0.469 nan 8.270 nan 0.000 0.577 23 P HA -0.201 nan 4.420 nan 0.000 0.218 23 P C 0.773 178.077 177.300 0.007 0.000 1.146 23 P CA 1.201 64.306 63.100 0.007 0.000 0.820 23 P CB 0.252 31.954 31.700 0.003 0.000 0.778 24 R N -0.757 119.749 120.500 0.009 0.000 2.159 24 R HA -0.079 4.261 4.340 -0.000 0.000 0.237 24 R C 2.330 178.635 176.300 0.009 0.000 1.131 24 R CA 0.948 57.053 56.100 0.008 0.000 0.982 24 R CB -0.349 29.957 30.300 0.011 0.000 0.868 24 R HN 0.253 nan 8.270 nan 0.000 0.453 25 R N 0.340 120.848 120.500 0.012 0.000 2.127 25 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 25 R C 1.085 177.389 176.300 0.007 0.000 1.134 25 R CA 1.083 57.190 56.100 0.011 0.000 0.975 25 R CB -0.158 30.151 30.300 0.014 0.000 0.865 25 R HN 0.197 nan 8.270 nan 0.000 0.447 26 N N 0.486 119.189 118.700 0.006 0.000 2.449 26 N HA -0.014 4.726 4.740 -0.000 0.000 0.191 26 N C 0.421 175.931 175.510 0.001 0.000 1.161 26 N CA 0.556 53.608 53.050 0.003 0.000 0.863 26 N CB 0.341 38.830 38.487 0.002 0.000 0.980 26 N HN 0.206 nan 8.380 nan 0.000 0.458 27 R N -0.564 119.936 120.500 0.001 0.000 2.543 27 R HA 0.218 4.557 4.340 -0.000 0.000 0.323 27 R C 1.284 177.584 176.300 -0.000 0.000 1.002 27 R CA -0.170 55.929 56.100 -0.001 0.000 1.106 27 R CB 0.540 30.838 30.300 -0.003 0.000 1.280 27 R HN 0.024 nan 8.270 nan 0.000 0.549 28 K N 1.494 121.895 120.400 0.001 0.000 2.063 28 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 28 K C 0.204 176.804 176.600 -0.000 0.000 1.048 28 K CA 1.906 58.193 56.287 0.001 0.000 0.928 28 K CB 0.094 32.596 32.500 0.002 0.000 0.713 28 K HN 0.278 nan 8.250 nan 0.000 0.442 29 N N -3.468 115.232 118.700 0.000 0.000 3.106 29 N HA 0.083 4.823 4.740 -0.000 0.000 0.253 29 N C -0.078 175.434 175.510 0.002 0.000 1.506 29 N CA -0.880 52.170 53.050 0.000 0.000 0.876 29 N CB 0.593 39.080 38.487 0.000 0.000 1.452 29 N HN -0.226 nan 8.380 nan 0.000 0.542 30 R N -0.455 120.048 120.500 0.004 0.000 2.081 30 R HA 0.065 4.405 4.340 -0.000 0.000 0.235 30 R C 1.695 177.999 176.300 0.007 0.000 1.131 30 R CA 1.954 58.058 56.100 0.007 0.000 0.960 30 R CB -0.787 29.519 30.300 0.011 0.000 0.856 30 R HN 0.668 nan 8.270 nan 0.000 0.436 31 A N 0.122 122.945 122.820 0.005 0.000 1.908 31 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 31 A C 2.243 179.830 177.584 0.004 0.000 1.181 31 A CA 1.866 53.905 52.037 0.005 0.000 0.627 31 A CB -0.569 18.433 19.000 0.004 0.000 0.818 31 A HN 0.251 nan 8.150 nan 0.000 0.445 32 V N -0.332 119.584 119.914 0.003 0.000 2.488 32 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 32 V C 2.562 178.657 176.094 0.002 0.000 1.046 32 V CA 1.854 64.155 62.300 0.002 0.000 1.053 32 V CB -0.746 31.078 31.823 0.002 0.000 0.679 32 V HN 0.513 nan 8.190 nan 0.000 0.458 33 R N -0.201 120.300 120.500 0.002 0.000 2.096 33 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 33 R C 2.364 178.665 176.300 0.003 0.000 1.127 33 R CA 1.417 57.518 56.100 0.002 0.000 0.968 33 R CB -0.286 30.015 30.300 0.002 0.000 0.861 33 R HN 0.595 nan 8.270 nan 0.000 0.440 34 Q N 0.538 120.341 119.800 0.005 0.000 2.079 34 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 34 Q C 2.233 178.234 176.000 0.001 0.000 0.974 34 Q CA 1.046 56.852 55.803 0.005 0.000 0.840 34 Q CB -0.049 28.693 28.738 0.007 0.000 0.898 34 Q HN 0.348 nan 8.270 nan 0.000 0.430 35 L N 0.350 121.573 121.223 0.001 0.000 2.127 35 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 35 L C 2.132 179.000 176.870 -0.003 0.000 1.089 35 L CA 1.013 55.853 54.840 -0.001 0.000 0.757 35 L CB -0.224 41.835 42.059 0.000 0.000 0.899 35 L HN 0.248 nan 8.230 nan 0.000 0.434 36 V N -3.676 116.236 119.914 -0.002 0.000 3.578 36 V HA 0.097 4.217 4.120 -0.000 0.000 0.290 36 V C 0.923 177.015 176.094 -0.004 0.000 1.376 36 V CA -0.354 61.944 62.300 -0.003 0.000 1.083 36 V CB -0.207 31.614 31.823 -0.002 0.000 0.911 36 V HN 0.309 nan 8.190 nan 0.000 0.433 37 Q N 1.255 121.052 119.800 -0.004 0.000 2.271 37 Q HA 0.053 4.393 4.340 -0.000 0.000 0.273 37 Q C 0.824 176.820 176.000 -0.007 0.000 1.051 37 Q CA 0.412 56.212 55.803 -0.004 0.000 0.901 37 Q CB 0.883 29.621 28.738 0.000 0.000 1.174 37 Q HN 0.702 nan 8.270 nan 0.000 0.385 38 E N 2.789 122.985 120.200 -0.007 0.000 2.230 38 E HA 0.023 4.373 4.350 -0.000 0.000 0.192 38 E C -0.283 176.312 176.600 -0.008 0.000 0.987 38 E CA 0.445 56.840 56.400 -0.008 0.000 0.841 38 E CB 0.427 30.122 29.700 -0.007 0.000 0.783 38 E HN 0.526 nan 8.360 nan 0.000 0.481 39 N N 0.254 118.951 118.700 -0.005 0.000 2.235 39 N HA 0.371 5.111 4.740 -0.000 0.000 0.293 39 N C -1.305 174.207 175.510 0.004 0.000 1.083 39 N CA -0.359 52.690 53.050 -0.002 0.000 0.801 39 N CB 2.342 40.831 38.487 0.003 0.000 1.559 39 N HN -0.098 nan 8.380 nan 0.000 0.472 40 L N 1.099 122.324 121.223 0.003 0.000 2.370 40 L HA 0.628 4.968 4.340 -0.000 0.000 0.266 40 L C -0.460 176.419 176.870 0.016 0.000 1.002 40 L CA -1.045 53.801 54.840 0.010 0.000 0.818 40 L CB 2.404 44.460 42.059 -0.004 0.000 1.325 40 L HN 0.091 nan 8.230 nan 0.000 0.418 41 V N 2.059 121.993 119.914 0.032 0.000 2.547 41 V HA 0.545 4.665 4.120 -0.000 0.000 0.299 41 V C -0.368 175.745 176.094 0.032 0.000 1.040 41 V CA -0.635 61.686 62.300 0.034 0.000 0.913 41 V CB 1.833 33.690 31.823 0.057 0.000 0.992 41 V HN 0.819 nan 8.190 nan 0.000 0.449 42 K N 3.497 123.905 120.400 0.014 0.000 2.477 42 K HA 0.628 4.948 4.320 -0.000 0.000 0.255 42 K C -2.735 173.862 176.600 -0.005 0.000 0.952 42 K CA -1.773 54.520 56.287 0.010 0.000 0.826 42 K CB 2.200 34.701 32.500 0.001 0.000 1.331 42 K HN 0.138 nan 8.250 nan 0.000 0.437 43 P HA -0.228 nan 4.420 nan 0.000 0.215 43 P C 1.153 178.418 177.300 -0.058 0.000 1.153 43 P CA 1.691 64.773 63.100 -0.028 0.000 0.853 43 P CB 0.085 31.780 31.700 -0.008 0.000 0.788 44 S N -1.937 113.736 115.700 -0.044 0.000 2.507 44 S HA -0.043 4.427 4.470 -0.000 0.000 0.235 44 S C 1.775 176.330 174.600 -0.075 0.000 0.988 44 S CA 1.072 59.236 58.200 -0.059 0.000 0.944 44 S CB -1.203 61.978 63.200 -0.032 0.000 0.762 44 S HN -0.011 nan 8.310 nan 0.000 0.526 45 S N 0.905 116.564 115.700 -0.068 0.000 2.603 45 S HA 0.371 4.841 4.470 -0.000 0.000 0.220 45 S C 0.362 174.893 174.600 -0.115 0.000 0.967 45 S CA -0.092 58.061 58.200 -0.079 0.000 0.920 45 S CB -0.299 62.869 63.200 -0.053 0.000 0.773 45 S HN 0.472 nan 8.310 nan 0.000 0.529 46 L N 1.478 122.621 121.223 -0.134 0.000 2.334 46 L HA 0.584 4.924 4.340 -0.000 0.000 0.275 46 L C -0.517 176.217 176.870 -0.227 0.000 1.036 46 L CA -0.547 54.191 54.840 -0.170 0.000 0.807 46 L CB 1.439 43.410 42.059 -0.147 0.000 1.231 46 L HN 0.041 nan 8.230 nan 0.000 0.438 47 I N 2.141 122.560 120.570 -0.251 0.000 2.406 47 I HA 0.231 4.401 4.170 -0.000 0.000 0.290 47 I C -1.218 174.759 176.117 -0.234 0.000 0.999 47 I CA -0.675 60.452 61.300 -0.290 0.000 1.124 47 I CB 1.799 39.616 38.000 -0.305 0.000 1.289 47 I HN 0.422 nan 8.210 nan 0.000 0.441 48 Y N 9.609 129.664 120.300 -0.409 0.000 2.385 48 Y HA 0.498 5.048 4.550 -0.000 0.000 0.341 48 Y C -2.601 173.199 175.900 -0.167 0.000 0.965 48 Y CA -3.463 54.477 58.100 -0.267 0.000 1.180 48 Y CB 1.025 39.370 38.460 -0.192 0.000 1.139 48 Y HN 0.300 nan 8.280 nan 0.000 0.502 49 P HA 0.386 nan 4.420 nan 0.000 0.292 49 P C -1.088 176.024 177.300 -0.313 0.000 1.287 49 P CA -0.106 62.843 63.100 -0.252 0.000 0.800 49 P CB 1.449 33.077 31.700 -0.121 0.000 0.945 50 L N 3.217 124.223 121.223 -0.361 0.000 2.333 50 L HA 0.574 4.913 4.340 -0.000 0.000 0.269 50 L C -0.364 176.282 176.870 -0.374 0.000 1.010 50 L CA -0.893 53.730 54.840 -0.361 0.000 0.818 50 L CB 1.280 43.156 42.059 -0.305 0.000 1.306 50 L HN 0.223 nan 8.230 nan 0.000 0.430 51 F N 1.386 121.359 119.950 0.037 0.000 2.411 51 F HA 0.524 5.051 4.527 -0.000 0.000 0.352 51 F C 0.067 175.837 175.800 -0.049 0.000 1.123 51 F CA -0.762 57.246 58.000 0.013 0.000 1.044 51 F CB 1.774 40.718 39.000 -0.093 0.000 1.135 51 F HN 0.010 nan 8.300 nan 0.000 0.461 52 V N 4.905 124.903 119.914 0.139 0.000 2.513 52 V HA 0.546 4.666 4.120 -0.000 0.000 0.299 52 V C -0.659 175.527 176.094 0.154 0.000 1.035 52 V CA -0.342 62.021 62.300 0.106 0.000 0.889 52 V CB 1.419 33.290 31.823 0.079 0.000 0.988 52 V HN 0.960 nan 8.190 nan 0.000 0.440 53 H N 1.891 120.979 119.070 0.030 0.000 2.771 53 H HA 0.567 5.122 4.556 -0.000 0.000 0.367 53 H C -1.020 174.312 175.328 0.006 0.000 1.172 53 H CA -1.072 54.980 56.048 0.007 0.000 1.186 53 H CB 2.076 31.829 29.762 -0.015 0.000 1.790 53 H HN 0.471 nan 8.280 nan 0.000 0.556 54 D N 1.209 121.607 120.400 -0.004 0.000 2.896 54 D HA 0.116 4.756 4.640 -0.000 0.000 0.240 54 D C -0.675 175.504 176.300 -0.202 0.000 1.193 54 D CA -0.014 53.945 54.000 -0.069 0.000 0.983 54 D CB -0.133 40.648 40.800 -0.031 0.000 1.074 54 D HN 0.401 nan 8.370 nan 0.000 0.496 55 E N -0.449 119.543 120.200 -0.347 0.000 2.369 55 E HA 0.292 4.642 4.350 -0.000 0.000 0.270 55 E C 0.944 177.448 176.600 -0.160 0.000 0.909 55 E CA -0.438 55.746 56.400 -0.360 0.000 0.775 55 E CB 1.019 30.298 29.700 -0.702 0.000 1.270 55 E HN 0.213 nan 8.360 nan 0.000 0.445 56 E N 0.828 120.972 120.200 -0.095 0.000 2.153 56 E HA -0.065 4.284 4.350 -0.000 0.000 0.194 56 E C 0.622 177.227 176.600 0.009 0.000 0.988 56 E CA 1.322 57.703 56.400 -0.031 0.000 0.811 56 E CB -0.033 29.652 29.700 -0.024 0.000 0.746 56 E HN 0.261 nan 8.360 nan 0.000 0.466 57 T N 0.336 114.905 114.554 0.024 0.000 2.863 57 T HA 0.488 4.838 4.350 -0.000 0.000 0.285 57 T C -0.311 174.507 174.700 0.197 0.000 1.009 57 T CA -0.366 61.781 62.100 0.079 0.000 0.989 57 T CB 1.764 70.662 68.868 0.050 0.000 1.004 57 T HN 0.215 nan 8.240 nan 0.000 0.455 58 S N 1.681 117.467 115.700 0.143 0.000 2.564 58 S HA 0.421 4.891 4.470 -0.000 0.000 0.278 58 S C -0.261 174.381 174.600 0.070 0.000 1.333 58 S CA -0.526 57.741 58.200 0.112 0.000 1.048 58 S CB 0.427 63.657 63.200 0.050 0.000 0.900 58 S HN 0.464 nan 8.310 nan 0.000 0.505 59 V N 6.122 126.026 119.914 -0.017 0.000 2.531 59 V HA 0.364 4.484 4.120 -0.000 0.000 0.301 59 V C -2.325 173.716 176.094 -0.089 0.000 1.034 59 V CA -2.076 60.207 62.300 -0.028 0.000 0.865 59 V CB 1.767 33.602 31.823 0.020 0.000 0.995 59 V HN 0.636 nan 8.190 nan 0.000 0.424 60 P HA 0.247 nan 4.420 nan 0.000 0.268 60 P C -0.679 176.559 177.300 -0.103 0.000 1.208 60 P CA 0.065 63.128 63.100 -0.061 0.000 0.777 60 P CB 0.535 32.219 31.700 -0.027 0.000 0.875 61 I N 3.987 124.482 120.570 -0.125 0.000 2.337 61 I HA 0.220 4.390 4.170 -0.000 0.000 0.285 61 I C -1.603 174.455 176.117 -0.098 0.000 1.041 61 I CA -1.975 59.223 61.300 -0.171 0.000 1.199 61 I CB 1.655 39.473 38.000 -0.303 0.000 1.370 61 I HN 0.251 nan 8.210 nan 0.000 0.470 62 P HA -0.138 nan 4.420 nan 0.000 0.218 62 P C 1.316 178.604 177.300 -0.019 0.000 1.149 62 P CA 1.072 64.151 63.100 -0.035 0.000 0.817 62 P CB 0.160 31.840 31.700 -0.033 0.000 0.785 63 S N -2.323 113.358 115.700 -0.033 0.000 2.603 63 S HA 0.112 4.582 4.470 -0.000 0.000 0.220 63 S C 0.953 175.570 174.600 0.028 0.000 0.967 63 S CA 0.366 58.565 58.200 -0.002 0.000 0.920 63 S CB -0.755 62.444 63.200 -0.002 0.000 0.773 63 S HN 0.072 nan 8.310 nan 0.000 0.529 64 M N 1.922 121.530 119.600 0.013 0.000 2.389 64 M HA 0.380 4.860 4.480 -0.000 0.000 0.206 64 M C -3.078 173.343 176.300 0.202 0.000 0.976 64 M CA -1.888 53.485 55.300 0.123 0.000 0.648 64 M CB 1.546 34.069 32.600 -0.128 0.000 1.474 64 M HN -0.167 nan 8.290 nan 0.000 0.398 65 P HA 0.073 nan 4.420 nan 0.000 0.262 65 P C 1.010 178.419 177.300 0.181 0.000 1.182 65 P CA 1.333 64.500 63.100 0.113 0.000 0.761 65 P CB 0.619 32.349 31.700 0.049 0.000 0.795 66 G N 1.180 110.052 108.800 0.119 0.000 2.213 66 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.236 66 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.236 66 G C -0.006 174.965 174.900 0.118 0.000 0.991 66 G CA -0.348 44.830 45.100 0.129 0.000 0.629 66 G HN 0.518 nan 8.290 nan 0.000 0.517 67 Q N 0.493 120.339 119.800 0.076 0.000 2.257 67 Q HA 0.790 5.129 4.340 -0.000 0.000 0.262 67 Q C -0.281 175.713 176.000 -0.011 0.000 0.997 67 Q CA -0.199 55.624 55.803 0.032 0.000 0.873 67 Q CB 1.889 30.587 28.738 -0.066 0.000 1.312 67 Q HN 0.336 nan 8.270 nan 0.000 0.450 68 S N 0.519 116.224 115.700 0.008 0.000 2.599 68 S HA 0.510 4.980 4.470 -0.000 0.000 0.287 68 S C -0.565 173.985 174.600 -0.085 0.000 1.105 68 S CA -0.943 57.220 58.200 -0.061 0.000 0.899 68 S CB 1.641 64.820 63.200 -0.035 0.000 1.100 68 S HN 0.351 nan 8.310 nan 0.000 0.482 69 R N 1.421 121.773 120.500 -0.247 0.000 2.345 69 R HA 0.244 4.584 4.340 -0.000 0.000 0.331 69 R C -0.793 175.260 176.300 -0.412 0.000 1.067 69 R CA 0.083 55.941 56.100 -0.403 0.000 0.962 69 R CB -0.322 29.529 30.300 -0.748 0.000 0.987 69 R HN 0.436 nan 8.270 nan 0.000 0.451 70 L N 2.187 123.321 121.223 -0.150 0.000 2.334 70 L HA 0.240 4.580 4.340 -0.000 0.000 0.277 70 L C 0.892 177.835 176.870 0.121 0.000 1.075 70 L CA -0.459 54.373 54.840 -0.014 0.000 0.804 70 L CB 1.593 43.663 42.059 0.018 0.000 1.174 70 L HN 0.642 nan 8.230 nan 0.000 0.438 71 S N 1.704 117.504 115.700 0.167 0.000 2.614 71 S HA 0.117 4.587 4.470 -0.000 0.000 0.265 71 S C 0.866 175.523 174.600 0.095 0.000 1.303 71 S CA -0.625 57.678 58.200 0.172 0.000 1.000 71 S CB 0.960 64.230 63.200 0.116 0.000 0.935 71 S HN 0.678 nan 8.310 nan 0.000 0.551 72 M N 1.829 121.471 119.600 0.070 0.000 2.108 72 M HA -0.022 4.458 4.480 -0.000 0.000 0.261 72 M C 2.395 178.717 176.300 0.038 0.000 1.066 72 M CA 2.537 57.864 55.300 0.045 0.000 1.107 72 M CB -1.638 30.980 32.600 0.031 0.000 1.356 72 M HN 0.994 nan 8.290 nan 0.000 0.406 73 E N -0.377 119.846 120.200 0.037 0.000 2.031 73 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 73 E C 1.819 178.444 176.600 0.041 0.000 0.994 73 E CA 1.874 58.295 56.400 0.034 0.000 0.800 73 E CB -1.408 28.309 29.700 0.029 0.000 0.752 73 E HN 0.669 nan 8.360 nan 0.000 0.447 74 D N -0.320 120.108 120.400 0.046 0.000 2.219 74 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 74 D C 1.958 178.278 176.300 0.035 0.000 0.970 74 D CA 0.968 54.995 54.000 0.045 0.000 0.851 74 D CB -0.165 40.666 40.800 0.051 0.000 0.943 74 D HN 0.353 nan 8.370 nan 0.000 0.488 75 L N 0.482 121.720 121.223 0.025 0.000 2.017 75 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 75 L C 2.051 178.909 176.870 -0.020 0.000 1.073 75 L CA 1.492 56.327 54.840 -0.009 0.000 0.745 75 L CB -0.467 41.586 42.059 -0.010 0.000 0.894 75 L HN 0.021 nan 8.230 nan 0.000 0.432 76 L N -0.732 120.512 121.223 0.036 0.000 2.046 76 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 76 L C 2.632 179.574 176.870 0.120 0.000 1.077 76 L CA 1.532 56.445 54.840 0.122 0.000 0.747 76 L CB -0.862 41.279 42.059 0.138 0.000 0.896 76 L HN 0.285 nan 8.230 nan 0.000 0.432 77 K N 0.055 120.501 120.400 0.078 0.000 2.063 77 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 77 K C 2.073 178.695 176.600 0.037 0.000 1.048 77 K CA 1.586 57.915 56.287 0.069 0.000 0.928 77 K CB -0.096 32.440 32.500 0.059 0.000 0.713 77 K HN 0.133 nan 8.250 nan 0.000 0.442 78 E N 1.014 121.228 120.200 0.022 0.000 2.072 78 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 78 E C 1.863 178.461 176.600 -0.003 0.000 0.985 78 E CA 0.858 57.288 56.400 0.050 0.000 0.801 78 E CB -0.043 29.688 29.700 0.051 0.000 0.750 78 E HN -0.012 nan 8.360 nan 0.000 0.452 79 V N 0.263 120.045 119.914 -0.219 0.000 2.261 79 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 79 V C 2.309 178.073 176.094 -0.551 0.000 1.047 79 V CA 1.951 63.885 62.300 -0.609 0.000 1.015 79 V CB -1.251 29.977 31.823 -0.991 0.000 0.642 79 V HN 0.510 nan 8.190 nan 0.000 0.446 80 G N -0.696 107.808 108.800 -0.493 0.000 2.574 80 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.220 80 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.220 80 G C 1.551 176.372 174.900 -0.132 0.000 1.173 80 G CA 1.274 46.216 45.100 -0.264 0.000 0.772 80 G HN 0.569 nan 8.290 nan 0.000 0.585 81 E N 0.454 120.622 120.200 -0.053 0.000 2.077 81 E HA -0.068 4.281 4.350 -0.000 0.000 0.193 81 E C 2.830 179.413 176.600 -0.029 0.000 0.989 81 E CA 1.005 57.382 56.400 -0.039 0.000 0.800 81 E CB -0.252 29.491 29.700 0.072 0.000 0.746 81 E HN 0.368 nan 8.360 nan 0.000 0.452 82 A N 1.150 124.031 122.820 0.102 0.000 1.969 82 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 82 A C 2.121 179.793 177.584 0.148 0.000 1.169 82 A CA 1.519 53.682 52.037 0.210 0.000 0.635 82 A CB -0.430 18.840 19.000 0.451 0.000 0.810 82 A HN 0.116 nan 8.150 nan 0.000 0.445 83 R N 1.274 121.816 120.500 0.070 0.000 2.092 83 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 83 R C 2.209 178.482 176.300 -0.044 0.000 1.119 83 R CA 2.252 58.370 56.100 0.029 0.000 0.970 83 R CB -0.959 29.286 30.300 -0.092 0.000 0.864 83 R HN 0.547 nan 8.270 nan 0.000 0.440 84 S N -1.075 114.534 115.700 -0.153 0.000 2.507 84 S HA -0.091 4.379 4.470 -0.000 0.000 0.235 84 S C 1.093 175.487 174.600 -0.344 0.000 0.988 84 S CA 0.542 58.590 58.200 -0.254 0.000 0.944 84 S CB -0.381 62.605 63.200 -0.356 0.000 0.762 84 S HN 0.418 nan 8.310 nan 0.000 0.526 85 Y N 1.262 121.557 120.300 -0.009 0.000 2.457 85 Y HA 0.467 5.017 4.550 -0.000 0.000 0.263 85 Y C 1.992 177.873 175.900 -0.031 0.000 1.164 85 Y CA -0.541 57.544 58.100 -0.025 0.000 1.274 85 Y CB 0.107 38.533 38.460 -0.056 0.000 1.097 85 Y HN 0.420 nan 8.280 nan 0.000 0.523 86 G N -0.477 108.366 108.800 0.073 0.000 2.211 86 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.201 86 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.201 86 G C -0.029 174.867 174.900 -0.007 0.000 0.997 86 G CA -0.414 44.706 45.100 0.033 0.000 0.652 86 G HN 0.030 nan 8.290 nan 0.000 0.500 87 I N 1.272 121.829 120.570 -0.021 0.000 2.683 87 I HA 0.191 4.361 4.170 -0.000 0.000 0.286 87 I C 1.267 177.292 176.117 -0.154 0.000 1.175 87 I CA 0.865 62.078 61.300 -0.144 0.000 1.429 87 I CB 0.991 38.864 38.000 -0.211 0.000 1.371 87 I HN 0.197 nan 8.210 nan 0.000 0.569 88 K N 4.090 124.351 120.400 -0.232 0.000 2.464 88 K HA 0.316 4.636 4.320 -0.000 0.000 0.206 88 K C 0.229 176.699 176.600 -0.217 0.000 1.186 88 K CA 0.046 56.259 56.287 -0.122 0.000 0.990 88 K CB 1.086 33.559 32.500 -0.044 0.000 1.003 88 K HN 0.648 nan 8.250 nan 0.000 0.562 89 A N 1.337 123.890 122.820 -0.445 0.000 2.318 89 A HA 0.723 5.043 4.320 -0.000 0.000 0.324 89 A C -1.120 176.076 177.584 -0.646 0.000 1.170 89 A CA -0.424 51.401 52.037 -0.354 0.000 0.810 89 A CB 0.325 19.189 19.000 -0.228 0.000 1.198 89 A HN 0.063 nan 8.150 nan 0.000 0.484 90 F N 0.978 120.873 119.950 -0.092 0.000 2.551 90 F HA 0.623 5.150 4.527 -0.000 0.000 0.316 90 F C 0.089 175.777 175.800 -0.186 0.000 1.089 90 F CA -0.439 57.486 58.000 -0.125 0.000 0.915 90 F CB 2.455 41.380 39.000 -0.124 0.000 1.186 90 F HN 0.516 nan 8.300 nan 0.000 0.456 91 M N 4.096 123.635 119.600 -0.103 0.000 2.364 91 M HA 0.595 5.075 4.480 -0.000 0.000 0.334 91 M C -1.782 174.266 176.300 -0.420 0.000 1.107 91 M CA -0.578 54.552 55.300 -0.284 0.000 0.988 91 M CB 1.561 33.965 32.600 -0.328 0.000 1.673 91 M HN 0.581 nan 8.290 nan 0.000 0.441 92 L N 4.712 125.626 121.223 -0.514 0.000 2.341 92 L HA 0.618 4.958 4.340 -0.000 0.000 0.278 92 L C -1.660 174.866 176.870 -0.573 0.000 1.005 92 L CA -0.478 54.109 54.840 -0.422 0.000 0.818 92 L CB 1.676 43.620 42.059 -0.191 0.000 1.259 92 L HN 0.622 nan 8.230 nan 0.000 0.418 93 F N 3.873 123.781 119.950 -0.070 0.000 2.547 93 F HA 0.521 5.048 4.527 -0.000 0.000 0.316 93 F C -2.259 173.551 175.800 0.017 0.000 1.121 93 F CA -2.324 55.674 58.000 -0.003 0.000 0.911 93 F CB 1.779 40.773 39.000 -0.011 0.000 1.179 93 F HN 0.204 nan 8.300 nan 0.000 0.443 94 P HA 0.369 nan 4.420 nan 0.000 0.294 94 P C -1.027 176.277 177.300 0.006 0.000 1.294 94 P CA -0.590 62.562 63.100 0.087 0.000 0.827 94 P CB 1.189 32.915 31.700 0.043 0.000 0.992 95 K N 3.008 123.420 120.400 0.019 0.000 2.267 95 K HA 0.433 4.753 4.320 -0.000 0.000 0.282 95 K C -0.227 176.349 176.600 -0.040 0.000 1.078 95 K CA -0.622 55.635 56.287 -0.049 0.000 0.903 95 K CB -0.052 32.428 32.500 -0.034 0.000 1.111 95 K HN 0.383 nan 8.250 nan 0.000 0.475 96 V N 2.094 121.938 119.914 -0.117 0.000 2.567 96 V HA 0.391 4.511 4.120 -0.000 0.000 0.289 96 V C 0.985 177.051 176.094 -0.045 0.000 1.049 96 V CA -0.374 61.874 62.300 -0.086 0.000 0.969 96 V CB 1.219 32.940 31.823 -0.169 0.000 0.995 96 V HN 0.983 nan 8.190 nan 0.000 0.471 97 D N 1.974 122.363 120.400 -0.017 0.000 2.533 97 D HA 0.289 4.929 4.640 -0.000 0.000 0.236 97 D C 1.121 177.413 176.300 -0.013 0.000 1.137 97 D CA 0.446 54.437 54.000 -0.015 0.000 0.867 97 D CB 0.054 40.848 40.800 -0.010 0.000 1.170 97 D HN 0.961 nan 8.370 nan 0.000 0.474 98 D N 0.549 120.940 120.400 -0.015 0.000 2.354 98 D HA -0.119 4.520 4.640 -0.000 0.000 0.216 98 D C 1.575 177.875 176.300 -0.000 0.000 0.970 98 D CA 1.439 55.433 54.000 -0.011 0.000 0.905 98 D CB -0.187 40.607 40.800 -0.011 0.000 0.903 98 D HN 0.695 nan 8.370 nan 0.000 0.508 99 E N -0.444 119.756 120.200 0.001 0.000 2.452 99 E HA 0.127 4.477 4.350 -0.000 0.000 0.197 99 E C 1.677 178.283 176.600 0.010 0.000 1.022 99 E CA -0.003 56.400 56.400 0.004 0.000 0.890 99 E CB -0.121 29.579 29.700 -0.001 0.000 0.918 99 E HN 0.566 nan 8.360 nan 0.000 0.496 100 L N 0.584 121.817 121.223 0.017 0.000 2.567 100 L HA 0.172 4.512 4.340 -0.000 0.000 0.225 100 L C 0.800 177.700 176.870 0.051 0.000 1.119 100 L CA 0.117 54.976 54.840 0.031 0.000 0.871 100 L CB -0.042 42.044 42.059 0.046 0.000 1.036 100 L HN -0.182 nan 8.230 nan 0.000 0.459 101 K N 0.685 121.111 120.400 0.044 0.000 2.270 101 K HA 0.369 4.689 4.320 -0.000 0.000 0.276 101 K C 0.196 176.823 176.600 0.046 0.000 1.023 101 K CA -0.075 56.248 56.287 0.059 0.000 0.955 101 K CB 1.142 33.664 32.500 0.036 0.000 0.975 101 K HN 0.106 nan 8.250 nan 0.000 0.471 102 S N -0.510 115.223 115.700 0.056 0.000 2.705 102 S HA 0.243 4.713 4.470 -0.000 0.000 0.280 102 S C 0.628 175.259 174.600 0.053 0.000 1.174 102 S CA -1.020 57.205 58.200 0.041 0.000 0.823 102 S CB 0.982 64.196 63.200 0.023 0.000 1.162 102 S HN 0.159 nan 8.310 nan 0.000 0.487 103 V N 0.779 120.720 119.914 0.045 0.000 2.591 103 V HA -0.031 4.089 4.120 -0.000 0.000 0.249 103 V C 1.999 178.124 176.094 0.051 0.000 1.053 103 V CA 1.222 63.553 62.300 0.051 0.000 1.068 103 V CB -0.767 31.081 31.823 0.041 0.000 0.689 103 V HN 0.750 nan 8.190 nan 0.000 0.462 104 M N -0.616 119.011 119.600 0.046 0.000 2.506 104 M HA 0.282 4.762 4.480 -0.000 0.000 0.260 104 M C 1.540 177.876 176.300 0.060 0.000 1.104 104 M CA 0.923 56.258 55.300 0.058 0.000 1.112 104 M CB -1.003 31.635 32.600 0.064 0.000 1.401 104 M HN 0.462 nan 8.290 nan 0.000 0.473 105 A N 0.803 123.645 122.820 0.038 0.000 2.869 105 A HA -0.228 4.092 4.320 -0.000 0.000 0.280 105 A C 0.969 178.462 177.584 -0.151 0.000 1.458 105 A CA 1.188 53.237 52.037 0.020 0.000 0.776 105 A CB -2.226 16.823 19.000 0.083 0.000 1.028 105 A HN 0.557 nan 8.150 nan 0.000 0.547 106 E N -0.142 119.925 120.200 -0.222 0.000 2.265 106 E HA -0.058 4.292 4.350 -0.000 0.000 0.196 106 E C 1.503 177.593 176.600 -0.849 0.000 0.996 106 E CA 1.092 57.110 56.400 -0.637 0.000 0.832 106 E CB -0.129 29.345 29.700 -0.378 0.000 0.756 106 E HN 0.834 nan 8.360 nan 0.000 0.491 107 E N 0.975 120.908 120.200 -0.446 0.000 2.209 107 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 107 E C 1.722 177.921 176.600 -0.668 0.000 0.993 107 E CA 1.340 57.520 56.400 -0.368 0.000 0.819 107 E CB -0.314 29.370 29.700 -0.027 0.000 0.745 107 E HN 0.281 nan 8.360 nan 0.000 0.477 108 S N -0.502 114.576 115.700 -1.036 0.000 2.419 108 S HA -0.225 4.245 4.470 -0.000 0.000 0.235 108 S C 1.528 175.850 174.600 -0.463 0.000 1.019 108 S CA 1.251 58.708 58.200 -1.239 0.000 0.982 108 S CB -0.736 61.975 63.200 -0.815 0.000 0.789 108 S HN 0.567 nan 8.310 nan 0.000 0.490 109 Y N 0.203 120.336 120.300 -0.278 0.000 2.696 109 Y HA 0.547 5.097 4.550 -0.000 0.000 0.260 109 Y C 0.033 175.871 175.900 -0.103 0.000 1.165 109 Y CA -1.745 56.262 58.100 -0.155 0.000 1.189 109 Y CB -0.890 37.498 38.460 -0.120 0.000 1.180 109 Y HN 0.065 nan 8.280 nan 0.000 0.538 110 N N 4.478 123.072 118.700 -0.178 0.000 2.431 110 N HA 0.076 4.816 4.740 -0.000 0.000 0.265 110 N C -1.703 173.799 175.510 -0.014 0.000 1.184 110 N CA -1.995 51.003 53.050 -0.086 0.000 0.943 110 N CB 1.257 39.673 38.487 -0.118 0.000 1.080 110 N HN 0.155 nan 8.380 nan 0.000 0.477 111 P HA 0.014 nan 4.420 nan 0.000 0.233 111 P C -0.215 177.094 177.300 0.015 0.000 1.167 111 P CA 0.867 63.980 63.100 0.021 0.000 0.770 111 P CB 0.469 32.184 31.700 0.026 0.000 0.837 112 D N -0.274 120.131 120.400 0.009 0.000 2.342 112 D HA 0.119 4.759 4.640 -0.000 0.000 0.221 112 D C 1.285 177.594 176.300 0.014 0.000 1.101 112 D CA 0.149 54.154 54.000 0.009 0.000 0.837 112 D CB 0.261 41.065 40.800 0.005 0.000 0.938 112 D HN 0.118 nan 8.370 nan 0.000 0.508 113 G N 0.742 109.552 108.800 0.018 0.000 2.599 113 G HA2 0.177 4.137 3.960 -0.000 0.000 0.264 113 G HA3 0.177 4.137 3.960 -0.000 0.000 0.264 113 G C 1.034 175.968 174.900 0.058 0.000 1.200 113 G CA -0.553 44.572 45.100 0.042 0.000 0.896 113 G HN 0.073 nan 8.290 nan 0.000 0.536 114 L N 0.491 121.761 121.223 0.079 0.000 2.012 114 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 114 L C 2.536 179.453 176.870 0.078 0.000 1.073 114 L CA 1.742 56.625 54.840 0.072 0.000 0.748 114 L CB -0.633 41.472 42.059 0.078 0.000 0.891 114 L HN 0.475 nan 8.230 nan 0.000 0.431 115 L N -0.165 121.126 121.223 0.114 0.000 1.994 115 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 115 L C -0.436 176.472 176.870 0.063 0.000 1.071 115 L CA 1.994 56.894 54.840 0.101 0.000 0.745 115 L CB -1.836 40.319 42.059 0.160 0.000 0.892 115 L HN 0.167 nan 8.230 nan 0.000 0.431 116 P HA -0.161 nan 4.420 nan 0.000 0.215 116 P C 1.591 178.908 177.300 0.028 0.000 1.157 116 P CA 1.568 64.690 63.100 0.037 0.000 0.868 116 P CB -0.090 31.629 31.700 0.032 0.000 0.788 117 R N -0.469 120.049 120.500 0.029 0.000 2.080 117 R HA -0.115 4.225 4.340 -0.000 0.000 0.236 117 R C 2.296 178.608 176.300 0.019 0.000 1.137 117 R CA 1.791 57.903 56.100 0.021 0.000 0.943 117 R CB -1.280 29.033 30.300 0.021 0.000 0.846 117 R HN 0.130 nan 8.270 nan 0.000 0.431 118 A N 1.268 124.103 122.820 0.025 0.000 1.917 118 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 118 A C 2.186 179.776 177.584 0.010 0.000 1.182 118 A CA 1.447 53.496 52.037 0.019 0.000 0.633 118 A CB -0.588 18.426 19.000 0.023 0.000 0.819 118 A HN 0.231 nan 8.150 nan 0.000 0.448 119 I N -1.070 119.507 120.570 0.012 0.000 2.179 119 I HA -0.322 3.847 4.170 -0.000 0.000 0.242 119 I C 2.792 178.916 176.117 0.011 0.000 1.088 119 I CA 1.720 63.025 61.300 0.008 0.000 1.357 119 I CB -0.328 37.678 38.000 0.010 0.000 1.051 119 I HN 0.359 nan 8.210 nan 0.000 0.409 120 M N 0.176 119.783 119.600 0.011 0.000 2.082 120 M HA -0.264 4.216 4.480 -0.000 0.000 0.258 120 M C 2.516 178.817 176.300 0.002 0.000 1.069 120 M CA 2.225 57.529 55.300 0.006 0.000 1.102 120 M CB -0.479 32.123 32.600 0.004 0.000 1.336 120 M HN 0.365 nan 8.290 nan 0.000 0.404 121 A N 0.084 122.906 122.820 0.003 0.000 1.902 121 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 121 A C 2.083 179.669 177.584 0.004 0.000 1.181 121 A CA 1.383 53.418 52.037 -0.003 0.000 0.623 121 A CB -0.840 18.162 19.000 0.003 0.000 0.818 121 A HN 0.459 nan 8.150 nan 0.000 0.443 122 L N -0.885 120.354 121.223 0.027 0.000 2.027 122 L HA -0.153 4.187 4.340 -0.000 0.000 0.206 122 L C 2.607 179.534 176.870 0.095 0.000 1.074 122 L CA 1.272 56.159 54.840 0.079 0.000 0.745 122 L CB -0.336 41.742 42.059 0.033 0.000 0.898 122 L HN 0.244 nan 8.230 nan 0.000 0.433 123 K N 0.048 120.478 120.400 0.050 0.000 2.103 123 K HA -0.264 4.055 4.320 -0.000 0.000 0.207 123 K C 1.908 178.513 176.600 0.008 0.000 1.048 123 K CA 1.521 57.834 56.287 0.044 0.000 0.930 123 K CB -0.176 32.340 32.500 0.026 0.000 0.716 123 K HN 0.379 nan 8.250 nan 0.000 0.444 124 E N 0.015 120.201 120.200 -0.023 0.000 2.106 124 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 124 E C 1.679 178.193 176.600 -0.142 0.000 0.984 124 E CA 1.022 57.384 56.400 -0.063 0.000 0.806 124 E CB 0.053 29.719 29.700 -0.057 0.000 0.750 124 E HN 0.277 nan 8.360 nan 0.000 0.458 125 A N -0.250 122.440 122.820 -0.217 0.000 2.021 125 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 125 A C 0.283 177.329 177.584 -0.897 0.000 1.163 125 A CA 0.368 52.069 52.037 -0.559 0.000 0.676 125 A CB 0.163 18.775 19.000 -0.646 0.000 0.818 125 A HN 0.241 nan 8.150 nan 0.000 0.453 126 F N -1.241 118.684 119.950 -0.042 0.000 2.809 126 F HA 0.357 4.884 4.527 -0.000 0.000 0.369 126 F C -2.268 173.522 175.800 -0.016 0.000 1.225 126 F CA -1.964 56.017 58.000 -0.033 0.000 1.201 126 F CB 1.449 40.417 39.000 -0.053 0.000 1.527 126 F HN -0.027 nan 8.300 nan 0.000 0.565 127 P HA -0.157 nan 4.420 nan 0.000 0.220 127 P C 1.229 178.576 177.300 0.079 0.000 1.148 127 P CA 1.363 64.500 63.100 0.062 0.000 0.803 127 P CB 0.215 31.930 31.700 0.024 0.000 0.782 128 D N -0.920 119.543 120.400 0.104 0.000 2.349 128 D HA -0.024 4.616 4.640 -0.000 0.000 0.215 128 D C 0.709 177.072 176.300 0.105 0.000 1.016 128 D CA 0.082 54.136 54.000 0.091 0.000 0.870 128 D CB -0.356 40.496 40.800 0.087 0.000 0.917 128 D HN 0.024 nan 8.370 nan 0.000 0.524 129 V N 0.962 120.960 119.914 0.140 0.000 3.003 129 V HA 0.189 4.309 4.120 -0.000 0.000 0.305 129 V C -0.403 175.769 176.094 0.130 0.000 1.078 129 V CA -0.620 61.775 62.300 0.157 0.000 1.083 129 V CB 1.347 33.259 31.823 0.147 0.000 1.039 129 V HN 0.083 nan 8.190 nan 0.000 0.481 130 L N 6.093 127.406 121.223 0.150 0.000 2.287 130 L HA 0.534 4.874 4.340 -0.000 0.000 0.287 130 L C -0.574 176.366 176.870 0.116 0.000 1.022 130 L CA 0.168 55.061 54.840 0.089 0.000 0.814 130 L CB 1.159 43.235 42.059 0.029 0.000 1.217 130 L HN 0.542 nan 8.230 nan 0.000 0.420 131 L N 6.009 127.272 121.223 0.067 0.000 2.298 131 L HA 0.447 4.787 4.340 -0.000 0.000 0.284 131 L C -1.053 175.818 176.870 0.001 0.000 1.013 131 L CA -0.811 54.056 54.840 0.045 0.000 0.824 131 L CB 1.504 43.580 42.059 0.028 0.000 1.221 131 L HN 0.362 nan 8.230 nan 0.000 0.418 132 L N 3.502 124.707 121.223 -0.031 0.000 2.282 132 L HA 0.706 5.046 4.340 -0.000 0.000 0.288 132 L C 0.200 177.010 176.870 -0.100 0.000 1.033 132 L CA -0.121 54.685 54.840 -0.057 0.000 0.807 132 L CB 1.598 43.610 42.059 -0.079 0.000 1.209 132 L HN 0.645 nan 8.230 nan 0.000 0.423 133 A N 2.239 125.025 122.820 -0.057 0.000 2.355 133 A HA 0.577 4.897 4.320 -0.000 0.000 0.317 133 A C -0.800 176.779 177.584 -0.008 0.000 1.094 133 A CA -0.620 51.381 52.037 -0.061 0.000 0.764 133 A CB 0.816 19.809 19.000 -0.012 0.000 1.230 133 A HN 0.682 nan 8.150 nan 0.000 0.448 134 D N 0.874 121.275 120.400 0.001 0.000 2.345 134 D HA 0.436 5.076 4.640 -0.000 0.000 0.247 134 D C -0.697 175.671 176.300 0.113 0.000 1.108 134 D CA 0.417 54.481 54.000 0.108 0.000 0.894 134 D CB 1.018 41.986 40.800 0.279 0.000 1.203 134 D HN 0.196 nan 8.370 nan 0.000 0.430 135 V N 2.741 122.703 119.914 0.080 0.000 2.378 135 V HA 0.829 4.949 4.120 -0.000 0.000 0.288 135 V C -0.232 175.890 176.094 0.046 0.000 1.016 135 V CA -0.130 62.211 62.300 0.070 0.000 0.840 135 V CB 0.483 32.334 31.823 0.047 0.000 0.994 135 V HN 0.827 nan 8.190 nan 0.000 0.431 136 A N 4.244 127.113 122.820 0.083 0.000 2.583 136 A HA 0.497 4.817 4.320 -0.000 0.000 0.300 136 A C -0.451 177.221 177.584 0.147 0.000 0.966 136 A CA -0.573 51.503 52.037 0.064 0.000 0.673 136 A CB 0.469 19.477 19.000 0.014 0.000 1.297 136 A HN 0.593 nan 8.150 nan 0.000 0.418 137 L N 0.884 122.181 121.223 0.124 0.000 2.529 137 L HA 0.076 4.416 4.340 -0.000 0.000 0.223 137 L C 2.005 179.004 176.870 0.216 0.000 1.113 137 L CA 0.896 55.853 54.840 0.196 0.000 0.861 137 L CB -0.291 41.842 42.059 0.123 0.000 1.012 137 L HN 0.969 nan 8.230 nan 0.000 0.461 138 D N 0.627 121.109 120.400 0.136 0.000 2.221 138 D HA -0.164 4.476 4.640 -0.000 0.000 0.204 138 D C -0.803 175.511 176.300 0.022 0.000 0.982 138 D CA 0.849 54.899 54.000 0.084 0.000 0.857 138 D CB -1.461 39.373 40.800 0.056 0.000 0.934 138 D HN 0.234 nan 8.370 nan 0.000 0.475 139 P HA -0.089 nan 4.420 nan 0.000 0.222 139 P C 0.618 177.650 177.300 -0.447 0.000 1.147 139 P CA 1.068 63.996 63.100 -0.286 0.000 0.790 139 P CB -0.264 31.166 31.700 -0.450 0.000 0.780 140 Y N -2.563 117.752 120.300 0.026 0.000 2.481 140 Y HA 0.284 4.834 4.550 -0.000 0.000 0.247 140 Y C 1.098 177.003 175.900 0.010 0.000 1.151 140 Y CA -0.302 57.803 58.100 0.008 0.000 1.238 140 Y CB 0.057 38.515 38.460 -0.004 0.000 1.179 140 Y HN -0.212 nan 8.280 nan 0.000 0.524 141 S N 0.673 116.456 115.700 0.138 0.000 2.465 141 S HA 0.114 4.583 4.470 -0.000 0.000 0.279 141 S C 1.354 175.995 174.600 0.070 0.000 1.201 141 S CA -0.020 58.245 58.200 0.108 0.000 1.053 141 S CB 0.610 63.880 63.200 0.117 0.000 0.953 141 S HN 0.439 nan 8.310 nan 0.000 0.488 142 S N 5.786 121.525 115.700 0.066 0.000 2.419 142 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 142 S C 1.688 176.323 174.600 0.058 0.000 1.019 142 S CA 0.856 59.086 58.200 0.050 0.000 0.982 142 S CB -0.308 62.919 63.200 0.045 0.000 0.789 142 S HN 0.761 nan 8.310 nan 0.000 0.490 143 M N 0.736 120.388 119.600 0.087 0.000 2.558 143 M HA 0.218 4.698 4.480 -0.000 0.000 0.255 143 M C 1.833 178.176 176.300 0.073 0.000 1.113 143 M CA 0.936 56.311 55.300 0.124 0.000 1.097 143 M CB -1.548 31.183 32.600 0.219 0.000 1.426 143 M HN 0.629 nan 8.290 nan 0.000 0.488 144 G N 1.132 109.950 108.800 0.031 0.000 2.160 144 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.251 144 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.251 144 G C -0.019 174.796 174.900 -0.143 0.000 1.008 144 G CA 0.146 45.212 45.100 -0.056 0.000 0.724 144 G HN 0.535 nan 8.290 nan 0.000 0.514 145 H N -0.481 118.643 119.070 0.091 0.000 2.533 145 H HA 0.320 4.876 4.556 -0.000 0.000 0.343 145 H C 0.660 176.027 175.328 0.064 0.000 1.160 145 H CA -0.383 55.740 56.048 0.126 0.000 1.218 145 H CB 1.682 31.518 29.762 0.123 0.000 1.566 145 H HN 0.062 nan 8.280 nan 0.000 0.522 146 D N 1.324 121.834 120.400 0.185 0.000 2.264 146 D HA 0.016 4.656 4.640 -0.000 0.000 0.208 146 D C 1.228 177.483 176.300 -0.075 0.000 0.966 146 D CA 0.730 54.741 54.000 0.018 0.000 0.864 146 D CB 0.343 41.134 40.800 -0.014 0.000 0.933 146 D HN 0.598 nan 8.370 nan 0.000 0.499 147 G N -0.860 107.855 108.800 -0.142 0.000 3.013 147 G HA2 0.487 4.447 3.960 -0.000 0.000 0.278 147 G HA3 0.487 4.447 3.960 -0.000 0.000 0.278 147 G C -0.879 173.997 174.900 -0.041 0.000 1.353 147 G CA -0.564 44.459 45.100 -0.128 0.000 1.043 147 G HN -0.065 nan 8.290 nan 0.000 0.523 148 V N 0.345 120.238 119.914 -0.035 0.000 2.508 148 V HA 0.242 4.362 4.120 -0.000 0.000 0.281 148 V C 0.151 176.226 176.094 -0.032 0.000 1.041 148 V CA -0.325 61.972 62.300 -0.006 0.000 1.016 148 V CB 1.193 33.019 31.823 0.005 0.000 0.984 148 V HN 0.396 nan 8.190 nan 0.000 0.478 149 V N 5.086 124.992 119.914 -0.013 0.000 2.364 149 V HA 0.196 4.316 4.120 -0.000 0.000 0.272 149 V C 0.448 176.534 176.094 -0.013 0.000 1.036 149 V CA -0.544 61.737 62.300 -0.031 0.000 0.880 149 V CB 1.302 33.118 31.823 -0.010 0.000 0.991 149 V HN 0.923 nan 8.190 nan 0.000 0.460 150 D N 3.814 124.202 120.400 -0.021 0.000 2.425 150 D HA 0.025 4.665 4.640 -0.000 0.000 0.247 150 D C 0.872 177.169 176.300 -0.004 0.000 1.147 150 D CA -0.171 53.822 54.000 -0.011 0.000 0.879 150 D CB 1.451 42.242 40.800 -0.015 0.000 1.179 150 D HN 0.680 nan 8.370 nan 0.000 0.456 151 E N 2.941 123.143 120.200 0.002 0.000 2.077 151 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 151 E C 2.219 178.822 176.600 0.005 0.000 0.989 151 E CA 1.907 58.311 56.400 0.007 0.000 0.800 151 E CB -0.325 29.380 29.700 0.009 0.000 0.746 151 E HN 0.695 nan 8.360 nan 0.000 0.452 152 Q N 0.836 120.637 119.800 0.002 0.000 2.079 152 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 152 Q C 2.237 178.239 176.000 0.002 0.000 0.974 152 Q CA 2.038 57.843 55.803 0.002 0.000 0.840 152 Q CB -0.813 27.925 28.738 0.000 0.000 0.898 152 Q HN 0.436 nan 8.270 nan 0.000 0.430 153 S N -3.094 112.605 115.700 -0.001 0.000 2.475 153 S HA 0.419 4.889 4.470 -0.000 0.000 0.224 153 S C 1.967 176.565 174.600 -0.003 0.000 1.042 153 S CA 1.240 59.439 58.200 -0.002 0.000 0.935 153 S CB 0.400 63.597 63.200 -0.004 0.000 0.801 153 S HN 1.847 nan 8.310 nan 0.000 0.509 154 G N 0.791 109.586 108.800 -0.007 0.000 2.159 154 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.256 154 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.256 154 G C 0.185 175.062 174.900 -0.039 0.000 0.977 154 G CA 0.446 45.537 45.100 -0.014 0.000 0.652 154 G HN 1.088 nan 8.290 nan 0.000 0.531 155 K N 0.790 121.170 120.400 -0.033 0.000 2.185 155 K HA 0.705 5.025 4.320 -0.000 0.000 0.271 155 K C 0.502 177.060 176.600 -0.070 0.000 1.013 155 K CA -0.238 56.026 56.287 -0.038 0.000 0.943 155 K CB 0.482 32.972 32.500 -0.017 0.000 0.998 155 K HN 0.521 nan 8.250 nan 0.000 0.468 156 I N 3.003 123.519 120.570 -0.090 0.000 2.406 156 I HA 0.070 4.240 4.170 -0.000 0.000 0.293 156 I C 0.164 176.225 176.117 -0.092 0.000 1.101 156 I CA -1.231 59.988 61.300 -0.135 0.000 1.334 156 I CB -0.020 37.837 38.000 -0.238 0.000 1.421 156 I HN 0.308 nan 8.210 nan 0.000 0.513 157 V N 7.719 127.590 119.914 -0.073 0.000 2.470 157 V HA 0.030 4.150 4.120 -0.000 0.000 0.276 157 V C 1.556 177.618 176.094 -0.053 0.000 1.040 157 V CA -0.095 62.176 62.300 -0.048 0.000 1.008 157 V CB 0.659 32.461 31.823 -0.035 0.000 0.990 157 V HN 0.748 nan 8.190 nan 0.000 0.477 158 N N 4.020 122.695 118.700 -0.042 0.000 2.080 158 N HA -0.136 4.604 4.740 -0.000 0.000 0.189 158 N C 1.284 176.780 175.510 -0.025 0.000 1.036 158 N CA 1.872 54.897 53.050 -0.041 0.000 0.846 158 N CB 0.119 38.593 38.487 -0.022 0.000 1.015 158 N HN 0.747 nan 8.380 nan 0.000 0.423 159 D N -0.263 120.129 120.400 -0.013 0.000 2.162 159 D HA -0.080 4.559 4.640 -0.000 0.000 0.203 159 D C 1.855 178.164 176.300 0.016 0.000 0.967 159 D CA 0.336 54.337 54.000 0.001 0.000 0.840 159 D CB -0.375 40.424 40.800 -0.002 0.000 0.972 159 D HN 0.227 nan 8.370 nan 0.000 0.482 160 L N 0.786 122.007 121.223 -0.003 0.000 2.046 160 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 160 L C 2.065 178.962 176.870 0.045 0.000 1.077 160 L CA 1.705 56.544 54.840 -0.001 0.000 0.747 160 L CB -0.940 41.102 42.059 -0.028 0.000 0.896 160 L HN -0.062 nan 8.230 nan 0.000 0.432 161 T N -1.002 113.559 114.554 0.012 0.000 2.684 161 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 161 T C 1.954 176.670 174.700 0.026 0.000 1.036 161 T CA 1.835 63.940 62.100 0.008 0.000 1.148 161 T CB -0.453 68.387 68.868 -0.047 0.000 0.863 161 T HN 0.213 nan 8.240 nan 0.000 0.436 162 V N 1.362 121.288 119.914 0.020 0.000 2.407 162 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 162 V C 2.376 178.487 176.094 0.029 0.000 1.055 162 V CA 1.739 64.049 62.300 0.016 0.000 1.049 162 V CB -0.751 31.078 31.823 0.010 0.000 0.662 162 V HN 0.649 nan 8.190 nan 0.000 0.455 163 H N 0.242 119.287 119.070 -0.041 0.000 2.319 163 H HA -0.194 4.361 4.556 -0.000 0.000 0.297 163 H C 2.346 177.626 175.328 -0.080 0.000 1.097 163 H CA 2.079 58.092 56.048 -0.058 0.000 1.285 163 H CB 0.136 29.865 29.762 -0.054 0.000 1.368 163 H HN 0.404 nan 8.280 nan 0.000 0.495 164 Q N 0.569 120.407 119.800 0.063 0.000 2.079 164 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 164 Q C 2.936 178.916 176.000 -0.033 0.000 0.974 164 Q CA 0.782 56.598 55.803 0.023 0.000 0.840 164 Q CB -0.370 28.451 28.738 0.139 0.000 0.898 164 Q HN 0.524 nan 8.270 nan 0.000 0.430 165 L N -0.263 120.949 121.223 -0.018 0.000 2.046 165 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 165 L C 2.686 179.523 176.870 -0.055 0.000 1.077 165 L CA 0.834 55.665 54.840 -0.016 0.000 0.747 165 L CB -0.664 41.390 42.059 -0.008 0.000 0.896 165 L HN 0.234 nan 8.230 nan 0.000 0.432 166 C N 0.780 120.019 119.300 -0.102 0.000 2.398 166 C HA -0.188 4.272 4.460 -0.000 0.000 0.276 166 C C 2.776 177.665 174.990 -0.168 0.000 1.222 166 C CA 1.369 60.307 59.018 -0.133 0.000 1.746 166 C CB -0.901 26.734 27.740 -0.175 0.000 2.039 166 C HN 0.547 nan 8.230 nan 0.000 0.470 167 K N 0.788 121.029 120.400 -0.264 0.000 2.296 167 K HA -0.155 4.165 4.320 -0.000 0.000 0.200 167 K C 1.911 178.444 176.600 -0.113 0.000 1.048 167 K CA 1.050 57.155 56.287 -0.303 0.000 0.966 167 K CB -0.406 31.704 32.500 -0.651 0.000 0.754 167 K HN 0.589 nan 8.250 nan 0.000 0.466 168 Q N 1.252 121.037 119.800 -0.025 0.000 2.016 168 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 168 Q C 2.242 178.247 176.000 0.009 0.000 0.978 168 Q CA 1.483 57.308 55.803 0.036 0.000 0.833 168 Q CB -0.205 28.553 28.738 0.035 0.000 0.895 168 Q HN 0.424 nan 8.270 nan 0.000 0.427 169 A N 0.945 123.760 122.820 -0.009 0.000 1.892 169 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 169 A C 1.998 179.575 177.584 -0.011 0.000 1.188 169 A CA 1.672 53.706 52.037 -0.005 0.000 0.631 169 A CB -0.813 18.180 19.000 -0.013 0.000 0.822 169 A HN 0.498 nan 8.150 nan 0.000 0.447 170 I N -0.692 119.859 120.570 -0.031 0.000 2.202 170 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 170 I C 2.641 178.751 176.117 -0.013 0.000 1.091 170 I CA 1.732 63.013 61.300 -0.031 0.000 1.368 170 I CB -0.669 37.297 38.000 -0.058 0.000 1.058 170 I HN 0.287 nan 8.210 nan 0.000 0.410 171 T N 1.522 116.074 114.554 -0.002 0.000 2.665 171 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 171 T C 1.949 176.659 174.700 0.017 0.000 1.035 171 T CA 1.403 63.514 62.100 0.018 0.000 1.151 171 T CB -0.450 68.446 68.868 0.046 0.000 0.862 171 T HN 0.244 nan 8.240 nan 0.000 0.438 172 L N 0.550 121.784 121.223 0.018 0.000 2.083 172 L HA -0.116 4.223 4.340 -0.000 0.000 0.209 172 L C 3.025 179.903 176.870 0.013 0.000 1.083 172 L CA 1.286 56.138 54.840 0.020 0.000 0.752 172 L CB -0.668 41.407 42.059 0.026 0.000 0.899 172 L HN 0.284 nan 8.230 nan 0.000 0.433 173 A N -0.024 122.800 122.820 0.007 0.000 1.897 173 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 173 A C 2.351 179.937 177.584 0.003 0.000 1.181 173 A CA 0.971 53.011 52.037 0.004 0.000 0.620 173 A CB -0.348 18.651 19.000 -0.001 0.000 0.821 173 A HN 0.283 nan 8.150 nan 0.000 0.443 174 R N -0.355 120.146 120.500 0.002 0.000 2.120 174 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 174 R C 2.186 178.489 176.300 0.005 0.000 1.123 174 R CA 1.094 57.195 56.100 0.002 0.000 0.975 174 R CB -0.375 29.925 30.300 0.001 0.000 0.866 174 R HN 0.484 nan 8.270 nan 0.000 0.446 175 A N -0.237 122.588 122.820 0.008 0.000 2.168 175 A HA 0.124 4.444 4.320 -0.000 0.000 0.215 175 A C 1.467 179.057 177.584 0.010 0.000 1.152 175 A CA 1.191 53.234 52.037 0.010 0.000 0.716 175 A CB -0.020 18.989 19.000 0.015 0.000 0.794 175 A HN 0.487 nan 8.150 nan 0.000 0.465 176 G N -2.699 106.106 108.800 0.009 0.000 2.205 176 G HA2 0.209 4.169 3.960 -0.000 0.000 0.180 176 G HA3 0.209 4.169 3.960 -0.000 0.000 0.180 176 G C 0.334 175.241 174.900 0.013 0.000 1.004 176 G CA -0.011 45.096 45.100 0.011 0.000 0.670 176 G HN 1.445 nan 8.290 nan 0.000 0.496 177 A N 0.648 123.475 122.820 0.011 0.000 2.520 177 A HA 0.492 4.812 4.320 -0.000 0.000 0.245 177 A C 1.208 178.797 177.584 0.010 0.000 1.072 177 A CA 0.925 52.968 52.037 0.010 0.000 0.761 177 A CB 0.208 19.212 19.000 0.007 0.000 1.004 177 A HN 0.280 nan 8.150 nan 0.000 0.499 178 D N 1.267 121.674 120.400 0.011 0.000 2.183 178 D HA -0.015 4.625 4.640 -0.000 0.000 0.203 178 D C 0.297 176.601 176.300 0.006 0.000 0.969 178 D CA 1.420 55.425 54.000 0.010 0.000 0.842 178 D CB 0.170 40.978 40.800 0.013 0.000 0.957 178 D HN 0.623 nan 8.370 nan 0.000 0.484 179 M N 1.110 120.713 119.600 0.004 0.000 2.271 179 M HA 0.170 4.650 4.480 -0.000 0.000 0.285 179 M C -1.438 174.869 176.300 0.013 0.000 1.059 179 M CA -0.598 54.706 55.300 0.005 0.000 0.940 179 M CB 2.636 35.233 32.600 -0.005 0.000 1.636 179 M HN -0.272 nan 8.290 nan 0.000 0.460 180 V N 1.343 121.272 119.914 0.024 0.000 2.532 180 V HA 0.703 4.823 4.120 -0.000 0.000 0.295 180 V C -0.749 175.389 176.094 0.072 0.000 1.041 180 V CA -0.583 61.740 62.300 0.038 0.000 0.926 180 V CB 1.176 33.018 31.823 0.031 0.000 0.992 180 V HN 0.978 nan 8.190 nan 0.000 0.457 181 C N 5.167 124.533 119.300 0.110 0.000 2.521 181 C HA 0.505 4.964 4.460 -0.000 0.000 0.291 181 C C -2.614 172.497 174.990 0.201 0.000 1.074 181 C CA -1.242 57.914 59.018 0.230 0.000 1.495 181 C CB 0.035 27.985 27.740 0.349 0.000 1.862 181 C HN 0.736 nan 8.230 nan 0.000 0.418 182 P HA 0.104 nan 4.420 nan 0.000 0.269 182 P C 0.785 178.055 177.300 -0.050 0.000 1.263 182 P CA 0.653 63.789 63.100 0.059 0.000 0.813 182 P CB 0.543 32.286 31.700 0.072 0.000 0.868 183 S N 1.232 116.724 115.700 -0.347 0.000 2.572 183 S HA -0.014 4.456 4.470 -0.000 0.000 0.228 183 S C 1.151 175.591 174.600 -0.267 0.000 0.963 183 S CA -0.263 57.510 58.200 -0.712 0.000 0.939 183 S CB -0.432 62.138 63.200 -1.049 0.000 0.804 183 S HN 0.389 nan 8.310 nan 0.000 0.480 184 D N 1.527 121.859 120.400 -0.114 0.000 2.224 184 D HA -0.136 4.504 4.640 -0.000 0.000 0.205 184 D C 0.966 177.278 176.300 0.019 0.000 0.965 184 D CA 0.445 54.414 54.000 -0.051 0.000 0.852 184 D CB -0.459 40.304 40.800 -0.062 0.000 0.947 184 D HN 0.270 nan 8.370 nan 0.000 0.494 185 M N -0.438 119.188 119.600 0.042 0.000 2.682 185 M HA -0.167 4.313 4.480 -0.000 0.000 0.196 185 M C -0.314 176.024 176.300 0.063 0.000 0.542 185 M CA 0.658 56.012 55.300 0.090 0.000 0.593 185 M CB -1.674 31.027 32.600 0.169 0.000 2.183 185 M HN 0.217 nan 8.290 nan 0.000 0.663 186 M N 0.283 119.878 119.600 -0.008 0.000 2.245 186 M HA 0.148 4.628 4.480 -0.000 0.000 0.330 186 M C 0.624 176.928 176.300 0.007 0.000 1.098 186 M CA 0.309 55.595 55.300 -0.024 0.000 1.172 186 M CB 0.115 32.684 32.600 -0.052 0.000 1.467 186 M HN 0.026 nan 8.290 nan 0.000 0.454 187 D N 1.437 121.842 120.400 0.008 0.000 2.390 187 D HA 0.357 4.997 4.640 -0.000 0.000 0.249 187 D C 1.239 177.545 176.300 0.009 0.000 1.144 187 D CA 0.935 54.943 54.000 0.013 0.000 0.880 187 D CB 0.734 41.542 40.800 0.014 0.000 1.182 187 D HN 0.884 nan 8.370 nan 0.000 0.451 188 G N 2.911 111.719 108.800 0.013 0.000 2.157 188 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.248 188 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.248 188 G C 1.270 176.176 174.900 0.010 0.000 0.979 188 G CA 0.469 45.576 45.100 0.011 0.000 0.650 188 G HN 0.545 nan 8.290 nan 0.000 0.529 189 R N 0.749 121.255 120.500 0.011 0.000 2.193 189 R HA 0.233 4.573 4.340 -0.000 0.000 0.213 189 R C 1.990 178.297 176.300 0.012 0.000 1.055 189 R CA 1.586 57.691 56.100 0.008 0.000 0.995 189 R CB -0.924 29.379 30.300 0.005 0.000 0.893 189 R HN 0.526 nan 8.270 nan 0.000 0.459 190 V N 1.376 121.302 119.914 0.020 0.000 2.295 190 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 190 V C 2.622 178.724 176.094 0.012 0.000 1.049 190 V CA 2.178 64.491 62.300 0.022 0.000 1.024 190 V CB -0.704 31.135 31.823 0.027 0.000 0.648 190 V HN 0.465 nan 8.190 nan 0.000 0.447 191 S N -0.413 115.293 115.700 0.010 0.000 2.356 191 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 191 S C 2.142 176.742 174.600 -0.000 0.000 1.032 191 S CA 1.672 59.875 58.200 0.005 0.000 1.005 191 S CB -0.365 62.838 63.200 0.006 0.000 0.867 191 S HN 0.612 nan 8.310 nan 0.000 0.449 192 A N 1.178 123.997 122.820 -0.002 0.000 1.902 192 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 192 A C 2.117 179.689 177.584 -0.019 0.000 1.181 192 A CA 1.502 53.533 52.037 -0.010 0.000 0.623 192 A CB -0.742 18.253 19.000 -0.008 0.000 0.818 192 A HN 0.616 nan 8.150 nan 0.000 0.443 193 I N -1.284 119.277 120.570 -0.014 0.000 2.202 193 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 193 I C 2.663 178.771 176.117 -0.014 0.000 1.091 193 I CA 1.584 62.873 61.300 -0.018 0.000 1.368 193 I CB -0.253 37.743 38.000 -0.006 0.000 1.058 193 I HN 0.264 nan 8.210 nan 0.000 0.410 194 R N 1.282 121.779 120.500 -0.006 0.000 2.096 194 R HA -0.230 4.110 4.340 -0.000 0.000 0.240 194 R C 2.116 178.410 176.300 -0.010 0.000 1.139 194 R CA 1.884 57.982 56.100 -0.004 0.000 0.952 194 R CB -0.459 29.842 30.300 0.000 0.000 0.854 194 R HN 0.356 nan 8.270 nan 0.000 0.436 195 E N -0.736 119.457 120.200 -0.012 0.000 2.106 195 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 195 E C 1.817 178.404 176.600 -0.022 0.000 0.984 195 E CA 1.251 57.642 56.400 -0.014 0.000 0.806 195 E CB 0.092 29.785 29.700 -0.012 0.000 0.750 195 E HN 0.344 nan 8.360 nan 0.000 0.458 196 S N 1.063 116.744 115.700 -0.031 0.000 2.354 196 S HA -0.197 4.272 4.470 -0.000 0.000 0.219 196 S C 2.032 176.609 174.600 -0.037 0.000 1.035 196 S CA 1.100 59.273 58.200 -0.045 0.000 1.037 196 S CB -0.423 62.738 63.200 -0.065 0.000 0.956 196 S HN 0.216 nan 8.310 nan 0.000 0.428 197 L N 1.548 122.753 121.223 -0.030 0.000 2.013 197 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 197 L C 2.271 179.131 176.870 -0.018 0.000 1.073 197 L CA 1.341 56.168 54.840 -0.023 0.000 0.753 197 L CB -0.830 41.221 42.059 -0.015 0.000 0.890 197 L HN 0.213 nan 8.230 nan 0.000 0.432 198 D N -0.290 120.101 120.400 -0.015 0.000 2.097 198 D HA -0.196 4.444 4.640 -0.000 0.000 0.195 198 D C 2.329 178.621 176.300 -0.014 0.000 0.989 198 D CA 1.383 55.376 54.000 -0.012 0.000 0.827 198 D CB -0.176 40.619 40.800 -0.009 0.000 0.966 198 D HN 0.304 nan 8.370 nan 0.000 0.456 199 M N 0.307 119.897 119.600 -0.017 0.000 2.279 199 M HA -0.114 4.365 4.480 -0.000 0.000 0.264 199 M C 1.159 177.448 176.300 -0.019 0.000 1.062 199 M CA 1.006 56.295 55.300 -0.018 0.000 1.099 199 M CB 0.105 32.692 32.600 -0.022 0.000 1.394 199 M HN -0.137 nan 8.290 nan 0.000 0.426 200 E N -0.257 119.930 120.200 -0.022 0.000 2.476 200 E HA 0.105 4.455 4.350 -0.000 0.000 0.191 200 E C 1.120 177.711 176.600 -0.015 0.000 1.064 200 E CA 0.432 56.819 56.400 -0.021 0.000 0.866 200 E CB 0.006 29.691 29.700 -0.026 0.000 0.952 200 E HN 0.609 nan 8.360 nan 0.000 0.492 201 G N 0.835 109.628 108.800 -0.012 0.000 2.147 201 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 201 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 201 G C 0.607 175.503 174.900 -0.008 0.000 1.005 201 G CA 0.287 45.382 45.100 -0.009 0.000 0.713 201 G HN 0.346 nan 8.290 nan 0.000 0.515 202 C N 1.980 121.275 119.300 -0.009 0.000 2.361 202 C HA 0.451 4.911 4.460 -0.000 0.000 0.336 202 C C 2.345 177.331 174.990 -0.005 0.000 1.406 202 C CA 0.329 59.343 59.018 -0.007 0.000 1.763 202 C CB -1.545 26.190 27.740 -0.008 0.000 2.761 202 C HN 0.739 nan 8.230 nan 0.000 0.566 203 T N -2.351 112.201 114.554 -0.004 0.000 2.867 203 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 203 T C 1.311 176.010 174.700 -0.001 0.000 1.057 203 T CA 1.885 63.983 62.100 -0.003 0.000 1.136 203 T CB -0.222 68.645 68.868 -0.003 0.000 0.874 203 T HN 0.444 nan 8.240 nan 0.000 0.466 204 D N 1.855 122.255 120.400 -0.001 0.000 2.158 204 D HA -0.065 4.575 4.640 -0.000 0.000 0.197 204 D C 0.391 176.692 176.300 0.001 0.000 0.995 204 D CA 0.962 54.963 54.000 0.001 0.000 0.846 204 D CB -0.553 40.248 40.800 0.001 0.000 0.941 204 D HN 0.396 nan 8.370 nan 0.000 0.456 205 T N 0.377 114.932 114.554 0.001 0.000 2.870 205 T HA 0.257 4.607 4.350 -0.000 0.000 0.300 205 T C 0.093 174.795 174.700 0.003 0.000 0.989 205 T CA -0.304 61.798 62.100 0.003 0.000 1.139 205 T CB 1.348 70.218 68.868 0.002 0.000 0.920 205 T HN -0.102 nan 8.240 nan 0.000 0.537 206 S N 2.299 118.001 115.700 0.004 0.000 2.646 206 S HA 0.534 5.004 4.470 -0.000 0.000 0.276 206 S C 0.093 174.699 174.600 0.010 0.000 1.222 206 S CA -0.723 57.480 58.200 0.004 0.000 1.014 206 S CB 0.519 63.719 63.200 -0.000 0.000 0.991 206 S HN 0.508 nan 8.310 nan 0.000 0.533 207 I N 2.790 123.368 120.570 0.013 0.000 2.382 207 I HA 0.276 4.446 4.170 -0.000 0.000 0.286 207 I C -1.046 175.085 176.117 0.023 0.000 1.002 207 I CA -0.706 60.609 61.300 0.025 0.000 1.135 207 I CB 1.483 39.500 38.000 0.027 0.000 1.288 207 I HN 0.320 nan 8.210 nan 0.000 0.448 208 L N 7.889 129.133 121.223 0.035 0.000 2.272 208 L HA 0.647 4.987 4.340 -0.000 0.000 0.284 208 L C 0.142 177.044 176.870 0.055 0.000 1.045 208 L CA -0.261 54.586 54.840 0.011 0.000 0.842 208 L CB 0.710 42.760 42.059 -0.016 0.000 1.224 208 L HN 0.621 nan 8.230 nan 0.000 0.430 209 A N 4.657 127.499 122.820 0.037 0.000 2.362 209 A HA 0.379 4.699 4.320 -0.000 0.000 0.276 209 A C -0.912 176.712 177.584 0.067 0.000 1.153 209 A CA -0.264 51.831 52.037 0.096 0.000 0.813 209 A CB -0.220 18.817 19.000 0.062 0.000 1.081 209 A HN 0.616 nan 8.150 nan 0.000 0.507 210 Y N 3.015 123.335 120.300 0.033 0.000 2.573 210 Y HA 0.127 4.677 4.550 -0.000 0.000 0.346 210 Y C 1.593 177.503 175.900 0.017 0.000 1.198 210 Y CA 0.303 58.423 58.100 0.034 0.000 1.627 210 Y CB 0.295 38.772 38.460 0.029 0.000 1.457 210 Y HN 0.731 nan 8.280 nan 0.000 0.483 211 S N 0.499 116.255 115.700 0.093 0.000 2.371 211 S HA -0.046 4.424 4.470 -0.000 0.000 0.221 211 S C 0.455 175.071 174.600 0.027 0.000 1.036 211 S CA 0.555 58.789 58.200 0.056 0.000 0.965 211 S CB 0.098 63.319 63.200 0.036 0.000 0.845 211 S HN 0.592 nan 8.310 nan 0.000 0.475 212 C N 3.017 122.334 119.300 0.029 0.000 2.439 212 C HA 0.527 4.987 4.460 -0.000 0.000 0.298 212 C C -0.005 174.973 174.990 -0.019 0.000 1.094 212 C CA -1.394 57.601 59.018 -0.037 0.000 1.609 212 C CB -0.990 26.806 27.740 0.093 0.000 1.723 212 C HN 0.322 nan 8.230 nan 0.000 0.423 213 K N 2.271 122.630 120.400 -0.069 0.000 2.316 213 K HA 0.475 4.795 4.320 -0.000 0.000 0.267 213 K C -1.037 175.498 176.600 -0.108 0.000 1.025 213 K CA -0.264 56.043 56.287 0.033 0.000 0.896 213 K CB 0.565 33.140 32.500 0.125 0.000 1.124 213 K HN 0.525 nan 8.250 nan 0.000 0.451 214 Y N 1.274 121.539 120.300 -0.058 0.000 2.316 214 Y HA 0.275 4.825 4.550 -0.000 0.000 0.324 214 Y C 0.784 176.713 175.900 0.048 0.000 1.267 214 Y CA -0.566 57.487 58.100 -0.079 0.000 1.311 214 Y CB 1.364 39.629 38.460 -0.326 0.000 1.267 214 Y HN 0.642 nan 8.280 nan 0.000 0.516 215 A N 2.237 125.162 122.820 0.175 0.000 3.037 215 A HA 0.293 4.613 4.320 -0.000 0.000 0.272 215 A C 0.406 178.041 177.584 0.085 0.000 1.723 215 A CA -0.060 52.048 52.037 0.118 0.000 1.413 215 A CB -0.938 18.083 19.000 0.035 0.000 1.112 215 A HN 0.530 nan 8.150 nan 0.000 0.606 216 S N 0.416 116.096 115.700 -0.034 0.000 2.652 216 S HA 0.385 4.855 4.470 -0.000 0.000 0.270 216 S C 1.360 175.801 174.600 -0.265 0.000 1.243 216 S CA 0.112 58.178 58.200 -0.224 0.000 0.999 216 S CB 0.761 63.606 63.200 -0.591 0.000 0.973 216 S HN 1.075 nan 8.310 nan 0.000 0.544 217 S N 1.980 117.534 115.700 -0.243 0.000 2.572 217 S HA 0.273 4.743 4.470 -0.000 0.000 0.228 217 S C 0.322 174.713 174.600 -0.348 0.000 0.963 217 S CA -0.272 57.772 58.200 -0.260 0.000 0.939 217 S CB -0.475 62.563 63.200 -0.270 0.000 0.804 217 S HN 0.612 nan 8.310 nan 0.000 0.480 218 F N 0.701 120.500 119.950 -0.251 0.000 2.693 218 F HA 0.399 4.926 4.527 -0.000 0.000 0.303 218 F C 0.535 176.299 175.800 -0.059 0.000 1.097 218 F CA -0.561 57.359 58.000 -0.132 0.000 1.330 218 F CB -0.090 38.852 39.000 -0.095 0.000 1.067 218 F HN 0.251 nan 8.300 nan 0.000 0.565 219 Y N -0.748 119.643 120.300 0.152 0.000 2.466 219 Y HA 0.264 4.814 4.550 -0.000 0.000 0.272 219 Y C 2.195 178.142 175.900 0.079 0.000 1.169 219 Y CA -0.422 57.718 58.100 0.066 0.000 1.285 219 Y CB -1.167 37.272 38.460 -0.035 0.000 1.078 219 Y HN 0.060 nan 8.280 nan 0.000 0.523 220 G N 1.811 110.736 108.800 0.207 0.000 2.514 220 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 220 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 220 G C -0.497 174.487 174.900 0.140 0.000 1.198 220 G CA 0.893 46.105 45.100 0.186 0.000 0.780 220 G HN 0.279 nan 8.290 nan 0.000 0.565 221 P HA -0.052 nan 4.420 nan 0.000 0.218 221 P C 1.554 178.816 177.300 -0.064 0.000 1.149 221 P CA 0.517 63.637 63.100 0.033 0.000 0.817 221 P CB -0.111 31.616 31.700 0.045 0.000 0.785 222 F N 1.170 121.037 119.950 -0.138 0.000 2.134 222 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 222 F C 2.030 177.662 175.800 -0.279 0.000 1.097 222 F CA 1.561 59.443 58.000 -0.196 0.000 1.264 222 F CB -0.367 38.583 39.000 -0.084 0.000 1.001 222 F HN -0.270 nan 8.300 nan 0.000 0.479 223 R N 0.156 120.611 120.500 -0.075 0.000 2.148 223 R HA -0.118 4.222 4.340 -0.000 0.000 0.227 223 R C 1.727 177.759 176.300 -0.447 0.000 1.103 223 R CA 1.212 57.070 56.100 -0.402 0.000 0.983 223 R CB -0.487 29.377 30.300 -0.727 0.000 0.874 223 R HN 0.318 nan 8.270 nan 0.000 0.451 224 D N 0.995 121.262 120.400 -0.222 0.000 2.084 224 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 224 D C 1.924 178.039 176.300 -0.308 0.000 0.990 224 D CA 1.642 55.577 54.000 -0.108 0.000 0.826 224 D CB -0.427 40.349 40.800 -0.040 0.000 0.971 224 D HN 0.179 nan 8.370 nan 0.000 0.453 225 A N 0.439 122.939 122.820 -0.533 0.000 1.903 225 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 225 A C 2.076 179.283 177.584 -0.629 0.000 1.191 225 A CA 1.446 52.995 52.037 -0.813 0.000 0.638 225 A CB -0.683 17.320 19.000 -1.661 0.000 0.823 225 A HN 0.202 nan 8.150 nan 0.000 0.451 226 L N -1.247 119.604 121.223 -0.620 0.000 2.446 226 L HA 0.095 4.434 4.340 -0.000 0.000 0.219 226 L C 0.548 177.261 176.870 -0.262 0.000 1.116 226 L CA 1.131 55.713 54.840 -0.430 0.000 0.844 226 L CB -0.516 41.234 42.059 -0.515 0.000 0.970 226 L HN 0.556 nan 8.230 nan 0.000 0.457 227 D N -0.302 119.964 120.400 -0.223 0.000 2.716 227 D HA -0.184 4.456 4.640 -0.000 0.000 0.239 227 D C 0.557 176.804 176.300 -0.089 0.000 1.125 227 D CA 0.847 54.787 54.000 -0.100 0.000 0.681 227 D CB -0.956 39.800 40.800 -0.074 0.000 1.070 227 D HN 0.416 nan 8.370 nan 0.000 0.432 228 S N -0.795 114.814 115.700 -0.151 0.000 2.754 228 S HA 0.123 4.593 4.470 -0.000 0.000 0.247 228 S C 0.535 175.059 174.600 -0.127 0.000 1.031 228 S CA -0.720 57.403 58.200 -0.128 0.000 1.014 228 S CB 0.112 63.226 63.200 -0.144 0.000 0.918 228 S HN 0.343 nan 8.310 nan 0.000 0.519 229 H N 1.602 120.641 119.070 -0.051 0.000 2.948 229 H HA 0.161 4.717 4.556 -0.000 0.000 0.351 229 H C 0.419 175.707 175.328 -0.067 0.000 1.079 229 H CA 0.427 56.448 56.048 -0.044 0.000 1.407 229 H CB 0.345 30.085 29.762 -0.036 0.000 1.373 229 H HN 0.313 nan 8.280 nan 0.000 0.605 230 M N 1.836 121.449 119.600 0.021 0.000 2.245 230 M HA 0.013 4.492 4.480 -0.000 0.000 0.330 230 M C 0.480 176.784 176.300 0.007 0.000 1.098 230 M CA 0.048 55.294 55.300 -0.090 0.000 1.172 230 M CB 0.393 32.897 32.600 -0.159 0.000 1.467 230 M HN 0.375 nan 8.290 nan 0.000 0.454 231 V N 0.145 120.074 119.914 0.025 0.000 3.036 231 V HA 0.794 4.914 4.120 -0.000 0.000 0.308 231 V C 0.992 177.124 176.094 0.064 0.000 1.070 231 V CA -0.457 61.873 62.300 0.051 0.000 1.056 231 V CB 0.521 32.382 31.823 0.063 0.000 1.084 231 V HN 1.170 nan 8.190 nan 0.000 0.471 232 G N 0.967 109.794 108.800 0.046 0.000 2.341 232 G HA2 0.080 4.040 3.960 -0.000 0.000 0.292 232 G HA3 0.080 4.040 3.960 -0.000 0.000 0.292 232 G C 1.297 176.224 174.900 0.047 0.000 1.021 232 G CA 0.805 45.931 45.100 0.044 0.000 0.905 232 G HN 2.823 nan 8.290 nan 0.000 0.508 233 G N -1.810 107.013 108.800 0.039 0.000 2.168 233 G HA2 0.008 3.968 3.960 -0.000 0.000 0.257 233 G HA3 0.008 3.968 3.960 -0.000 0.000 0.257 233 G C 0.955 175.889 174.900 0.056 0.000 0.997 233 G CA 1.653 46.775 45.100 0.037 0.000 0.708 233 G HN 2.465 nan 8.290 nan 0.000 0.520 234 T N -1.777 112.829 114.554 0.088 0.000 2.788 234 T HA 0.628 4.977 4.350 -0.000 0.000 0.280 234 T C -0.024 174.749 174.700 0.121 0.000 0.984 234 T CA 0.470 62.650 62.100 0.134 0.000 0.972 234 T CB 1.958 70.980 68.868 0.256 0.000 1.039 234 T HN 0.866 nan 8.240 nan 0.000 0.530 235 D N -1.685 118.808 120.400 0.156 0.000 2.677 235 D HA 0.332 4.972 4.640 -0.000 0.000 0.298 235 D C -0.549 175.832 176.300 0.136 0.000 1.250 235 D CA -1.086 52.975 54.000 0.102 0.000 0.888 235 D CB 1.042 41.867 40.800 0.042 0.000 1.397 235 D HN 0.514 nan 8.370 nan 0.000 0.461 236 K N -0.537 119.834 120.400 -0.048 0.000 2.493 236 K HA 0.187 4.507 4.320 -0.000 0.000 0.207 236 K C 0.557 176.880 176.600 -0.462 0.000 1.033 236 K CA -0.196 55.835 56.287 -0.426 0.000 1.161 236 K CB 0.309 32.442 32.500 -0.612 0.000 0.873 236 K HN 0.251 nan 8.250 nan 0.000 0.491 237 K N 0.560 120.858 120.400 -0.169 0.000 2.442 237 K HA -0.073 4.247 4.320 -0.000 0.000 0.198 237 K C 1.759 178.318 176.600 -0.068 0.000 1.042 237 K CA 1.348 57.575 56.287 -0.100 0.000 0.958 237 K CB 0.004 32.489 32.500 -0.025 0.000 0.766 237 K HN 0.203 nan 8.250 nan 0.000 0.474 238 T N -1.888 112.639 114.554 -0.044 0.000 3.148 238 T HA -0.046 4.304 4.350 -0.000 0.000 0.253 238 T C 1.241 176.042 174.700 0.169 0.000 1.134 238 T CA 0.397 62.536 62.100 0.066 0.000 1.051 238 T CB -0.209 68.727 68.868 0.113 0.000 0.959 238 T HN 0.436 nan 8.240 nan 0.000 0.525 239 Y N -0.902 119.414 120.300 0.026 0.000 2.844 239 Y HA 0.487 5.037 4.550 -0.000 0.000 0.256 239 Y C 0.678 176.580 175.900 0.004 0.000 1.134 239 Y CA -1.151 56.957 58.100 0.013 0.000 1.209 239 Y CB 0.017 38.486 38.460 0.014 0.000 1.418 239 Y HN 0.058 nan 8.280 nan 0.000 0.459 240 Q N 2.184 121.867 119.800 -0.195 0.000 2.392 240 Q HA 0.284 4.624 4.340 -0.000 0.000 0.262 240 Q C -0.608 175.341 176.000 -0.086 0.000 1.003 240 Q CA 0.033 55.776 55.803 -0.101 0.000 0.888 240 Q CB 1.041 29.718 28.738 -0.101 0.000 1.260 240 Q HN 0.338 nan 8.270 nan 0.000 0.435 241 M N 1.586 121.099 119.600 -0.146 0.000 2.242 241 M HA 0.028 4.508 4.480 -0.000 0.000 0.344 241 M C 0.020 176.336 176.300 0.028 0.000 1.140 241 M CA -0.349 54.845 55.300 -0.177 0.000 1.160 241 M CB 0.502 32.764 32.600 -0.562 0.000 1.491 241 M HN 0.519 nan 8.290 nan 0.000 0.459 242 D N 3.897 124.350 120.400 0.090 0.000 2.434 242 D HA 0.046 4.686 4.640 -0.000 0.000 0.252 242 D C -1.797 174.728 176.300 0.375 0.000 1.185 242 D CA -1.477 52.630 54.000 0.179 0.000 0.886 242 D CB 1.016 41.887 40.800 0.119 0.000 1.148 242 D HN 0.236 nan 8.370 nan 0.000 0.483 243 P HA -0.079 nan 4.420 nan 0.000 0.223 243 P C 0.962 178.394 177.300 0.220 0.000 1.144 243 P CA 0.739 64.057 63.100 0.364 0.000 0.783 243 P CB 0.219 32.074 31.700 0.259 0.000 0.771 244 S N -1.571 114.234 115.700 0.175 0.000 2.507 244 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 244 S C 0.799 175.480 174.600 0.135 0.000 0.988 244 S CA 0.741 59.011 58.200 0.116 0.000 0.944 244 S CB -0.705 62.547 63.200 0.085 0.000 0.762 244 S HN 0.235 nan 8.310 nan 0.000 0.526 245 N N 0.726 119.556 118.700 0.217 0.000 2.372 245 N HA 0.356 5.096 4.740 -0.000 0.000 0.291 245 N C 0.503 176.171 175.510 0.263 0.000 1.024 245 N CA -0.197 52.973 53.050 0.201 0.000 0.873 245 N CB 1.966 40.554 38.487 0.167 0.000 1.206 245 N HN 0.181 nan 8.380 nan 0.000 0.486 246 S N 1.648 117.455 115.700 0.177 0.000 2.599 246 S HA 0.026 4.496 4.470 -0.000 0.000 0.236 246 S C 1.608 176.288 174.600 0.133 0.000 1.077 246 S CA -0.219 58.089 58.200 0.181 0.000 0.906 246 S CB 0.192 63.468 63.200 0.126 0.000 0.804 246 S HN 0.555 nan 8.310 nan 0.000 0.497 247 R N 1.695 122.253 120.500 0.096 0.000 2.117 247 R HA -0.113 4.227 4.340 -0.000 0.000 0.243 247 R C 2.196 178.536 176.300 0.067 0.000 1.143 247 R CA 1.815 57.957 56.100 0.071 0.000 0.968 247 R CB -0.436 29.897 30.300 0.056 0.000 0.863 247 R HN 0.663 nan 8.270 nan 0.000 0.444 248 E N -0.205 120.038 120.200 0.073 0.000 2.153 248 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 248 E C 1.750 178.375 176.600 0.042 0.000 0.988 248 E CA 0.994 57.424 56.400 0.050 0.000 0.811 248 E CB -0.079 29.648 29.700 0.046 0.000 0.746 248 E HN 0.536 nan 8.360 nan 0.000 0.466 249 A N 1.110 123.975 122.820 0.075 0.000 1.940 249 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 249 A C 1.861 179.481 177.584 0.060 0.000 1.176 249 A CA 1.677 53.759 52.037 0.075 0.000 0.631 249 A CB -0.418 18.679 19.000 0.162 0.000 0.814 249 A HN 0.317 nan 8.150 nan 0.000 0.446 250 E N -0.898 119.338 120.200 0.060 0.000 2.072 250 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 250 E C 2.297 178.918 176.600 0.035 0.000 0.985 250 E CA 0.898 57.326 56.400 0.047 0.000 0.801 250 E CB -0.185 29.542 29.700 0.046 0.000 0.750 250 E HN 0.583 nan 8.360 nan 0.000 0.452 251 R N 0.977 121.496 120.500 0.032 0.000 2.091 251 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 251 R C 2.050 178.363 176.300 0.022 0.000 1.136 251 R CA 1.393 57.508 56.100 0.025 0.000 0.959 251 R CB 0.089 30.403 30.300 0.023 0.000 0.856 251 R HN 0.111 nan 8.270 nan 0.000 0.437 252 E N -0.022 120.190 120.200 0.019 0.000 2.047 252 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 252 E C 1.915 178.528 176.600 0.022 0.000 0.987 252 E CA 1.213 57.622 56.400 0.015 0.000 0.799 252 E CB -0.258 29.442 29.700 -0.000 0.000 0.752 252 E HN 0.430 nan 8.360 nan 0.000 0.449 253 A N 1.524 124.360 122.820 0.027 0.000 1.877 253 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 253 A C 2.399 179.998 177.584 0.024 0.000 1.186 253 A CA 2.747 54.801 52.037 0.029 0.000 0.620 253 A CB -0.978 18.043 19.000 0.035 0.000 0.822 253 A HN 0.362 nan 8.150 nan 0.000 0.443 254 E N -0.328 119.887 120.200 0.024 0.000 2.097 254 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 254 E C 2.287 178.898 176.600 0.018 0.000 1.000 254 E CA 2.357 58.770 56.400 0.021 0.000 0.804 254 E CB -1.185 28.528 29.700 0.020 0.000 0.740 254 E HN 1.044 nan 8.360 nan 0.000 0.454 255 A N 1.168 123.999 122.820 0.019 0.000 1.898 255 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 255 A C 2.124 179.718 177.584 0.018 0.000 1.181 255 A CA 1.764 53.811 52.037 0.017 0.000 0.620 255 A CB -0.233 18.777 19.000 0.017 0.000 0.819 255 A HN 0.431 nan 8.150 nan 0.000 0.442 256 D N 0.200 120.612 120.400 0.021 0.000 2.144 256 D HA -0.017 4.623 4.640 -0.000 0.000 0.200 256 D C 2.191 178.501 176.300 0.018 0.000 0.978 256 D CA 1.371 55.384 54.000 0.022 0.000 0.833 256 D CB -0.409 40.408 40.800 0.028 0.000 0.961 256 D HN 0.410 nan 8.370 nan 0.000 0.470 257 A N 0.891 123.721 122.820 0.016 0.000 1.902 257 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 257 A C 2.309 179.900 177.584 0.011 0.000 1.181 257 A CA 2.358 54.403 52.037 0.013 0.000 0.623 257 A CB -0.616 18.392 19.000 0.013 0.000 0.818 257 A HN 0.330 nan 8.150 nan 0.000 0.443 258 S N -0.467 115.241 115.700 0.012 0.000 2.461 258 S HA -0.046 4.424 4.470 -0.000 0.000 0.228 258 S C 1.331 175.937 174.600 0.010 0.000 1.005 258 S CA 1.061 59.267 58.200 0.010 0.000 0.942 258 S CB -0.334 62.873 63.200 0.011 0.000 0.776 258 S HN 0.646 nan 8.310 nan 0.000 0.514 259 E N 0.775 120.982 120.200 0.011 0.000 2.502 259 E HA 0.250 4.600 4.350 -0.000 0.000 0.194 259 E C 1.039 177.645 176.600 0.010 0.000 1.062 259 E CA 0.237 56.644 56.400 0.011 0.000 0.867 259 E CB -0.091 29.617 29.700 0.013 0.000 0.888 259 E HN 0.755 nan 8.360 nan 0.000 0.510 260 G N 0.913 109.718 108.800 0.009 0.000 2.138 260 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.193 260 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.193 260 G C 0.317 175.222 174.900 0.008 0.000 0.998 260 G CA -0.172 44.933 45.100 0.008 0.000 0.668 260 G HN 0.420 nan 8.290 nan 0.000 0.516 261 A N 0.004 122.830 122.820 0.011 0.000 2.483 261 A HA 0.526 4.846 4.320 -0.000 0.000 0.238 261 A C 1.176 178.763 177.584 0.006 0.000 1.070 261 A CA 0.907 52.951 52.037 0.012 0.000 0.770 261 A CB 0.329 19.339 19.000 0.016 0.000 1.008 261 A HN 0.212 nan 8.150 nan 0.000 0.497 262 D N 0.454 120.856 120.400 0.003 0.000 2.301 262 D HA 0.150 4.790 4.640 -0.000 0.000 0.206 262 D C 0.136 176.431 176.300 -0.009 0.000 0.979 262 D CA 1.264 55.262 54.000 -0.003 0.000 0.874 262 D CB 0.157 40.955 40.800 -0.004 0.000 0.968 262 D HN 0.594 nan 8.370 nan 0.000 0.510 263 M N 0.423 120.015 119.600 -0.013 0.000 2.471 263 M HA 0.311 4.791 4.480 -0.000 0.000 0.284 263 M C -1.681 174.600 176.300 -0.032 0.000 1.203 263 M CA -0.480 54.804 55.300 -0.026 0.000 0.915 263 M CB 3.181 35.756 32.600 -0.043 0.000 1.734 263 M HN -0.307 nan 8.290 nan 0.000 0.485 264 L N 2.462 123.664 121.223 -0.035 0.000 2.341 264 L HA 0.710 5.050 4.340 -0.000 0.000 0.278 264 L C -0.806 176.021 176.870 -0.072 0.000 1.005 264 L CA -0.663 54.154 54.840 -0.038 0.000 0.818 264 L CB 2.007 44.062 42.059 -0.006 0.000 1.259 264 L HN 0.696 nan 8.230 nan 0.000 0.418 265 M N 3.693 123.217 119.600 -0.128 0.000 2.336 265 M HA 0.578 5.058 4.480 -0.000 0.000 0.342 265 M C -1.295 174.965 176.300 -0.067 0.000 1.128 265 M CA -0.257 54.928 55.300 -0.191 0.000 1.016 265 M CB 1.726 33.994 32.600 -0.553 0.000 1.665 265 M HN 0.259 nan 8.290 nan 0.000 0.445 266 V N 5.010 124.935 119.914 0.017 0.000 2.513 266 V HA 0.686 4.806 4.120 -0.000 0.000 0.299 266 V C -0.556 175.636 176.094 0.162 0.000 1.035 266 V CA -0.763 61.608 62.300 0.119 0.000 0.889 266 V CB 1.666 33.591 31.823 0.170 0.000 0.988 266 V HN 0.849 nan 8.190 nan 0.000 0.440 267 K N 5.291 125.800 120.400 0.182 0.000 2.561 267 K HA 0.473 4.793 4.320 -0.000 0.000 0.254 267 K C -3.033 173.628 176.600 0.101 0.000 0.942 267 K CA -1.430 54.983 56.287 0.208 0.000 0.818 267 K CB 3.209 35.864 32.500 0.258 0.000 1.306 267 K HN 0.330 nan 8.250 nan 0.000 0.435 268 P HA 0.100 nan 4.420 nan 0.000 0.300 268 P C 0.007 177.529 177.300 0.369 0.000 1.294 268 P CA -0.039 63.196 63.100 0.225 0.000 0.757 268 P CB 0.502 32.321 31.700 0.197 0.000 1.377 269 G N -1.064 108.003 108.800 0.446 0.000 2.543 269 G HA2 0.045 4.005 3.960 -0.000 0.000 0.221 269 G HA3 0.045 4.005 3.960 -0.000 0.000 0.221 269 G C 1.266 176.389 174.900 0.371 0.000 1.902 269 G CA -0.098 45.385 45.100 0.639 0.000 0.838 269 G HN 0.314 nan 8.290 nan 0.000 0.650 270 L N 1.365 122.659 121.223 0.118 0.000 2.083 270 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 270 L C -0.421 176.349 176.870 -0.166 0.000 1.083 270 L CA 0.983 55.703 54.840 -0.200 0.000 0.752 270 L CB -1.079 40.841 42.059 -0.232 0.000 0.899 270 L HN 0.246 nan 8.230 nan 0.000 0.433 271 P HA -0.087 nan 4.420 nan 0.000 0.249 271 P C -0.031 176.782 177.300 -0.811 0.000 1.241 271 P CA 1.085 63.925 63.100 -0.434 0.000 0.781 271 P CB -0.050 31.369 31.700 -0.470 0.000 1.088 272 Y N -2.040 118.205 120.300 -0.091 0.000 2.707 272 Y HA 0.268 4.818 4.550 -0.000 0.000 0.249 272 Y C 1.645 177.532 175.900 -0.021 0.000 1.166 272 Y CA -0.272 57.775 58.100 -0.088 0.000 1.184 272 Y CB -0.300 38.109 38.460 -0.084 0.000 1.240 272 Y HN -0.209 nan 8.280 nan 0.000 0.547 273 L N 0.692 121.925 121.223 0.017 0.000 2.265 273 L HA -0.217 4.123 4.340 -0.000 0.000 0.215 273 L C 1.942 178.824 176.870 0.021 0.000 1.117 273 L CA 1.544 56.392 54.840 0.012 0.000 0.782 273 L CB -0.267 41.739 42.059 -0.088 0.000 0.914 273 L HN 0.420 nan 8.230 nan 0.000 0.441 274 D N -0.145 120.256 120.400 0.001 0.000 2.144 274 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 274 D C 2.057 178.395 176.300 0.063 0.000 0.978 274 D CA 1.050 55.059 54.000 0.015 0.000 0.833 274 D CB -0.526 40.269 40.800 -0.009 0.000 0.961 274 D HN 0.220 nan 8.370 nan 0.000 0.470 275 V N 0.866 120.846 119.914 0.110 0.000 2.323 275 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 275 V C 2.656 178.834 176.094 0.141 0.000 1.041 275 V CA 0.981 63.377 62.300 0.160 0.000 1.025 275 V CB -0.682 31.300 31.823 0.265 0.000 0.656 275 V HN 0.109 nan 8.190 nan 0.000 0.451 276 L N 1.350 122.662 121.223 0.148 0.000 1.978 276 L HA -0.246 4.094 4.340 -0.000 0.000 0.218 276 L C 2.496 179.417 176.870 0.086 0.000 1.075 276 L CA 2.712 57.628 54.840 0.125 0.000 0.767 276 L CB -1.081 41.068 42.059 0.151 0.000 0.890 276 L HN 0.254 nan 8.230 nan 0.000 0.434 277 A N -0.916 121.945 122.820 0.067 0.000 1.940 277 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 277 A C 2.540 180.151 177.584 0.045 0.000 1.176 277 A CA 2.943 55.008 52.037 0.046 0.000 0.631 277 A CB -1.024 17.994 19.000 0.029 0.000 0.814 277 A HN 0.523 nan 8.150 nan 0.000 0.446 278 K N -0.291 120.142 120.400 0.054 0.000 2.025 278 K HA 0.051 4.371 4.320 -0.000 0.000 0.207 278 K C 1.744 178.375 176.600 0.052 0.000 1.049 278 K CA 1.546 57.864 56.287 0.052 0.000 0.933 278 K CB -0.853 31.684 32.500 0.062 0.000 0.714 278 K HN 0.393 nan 8.250 nan 0.000 0.438 279 I N 1.122 121.730 120.570 0.063 0.000 2.315 279 I HA -0.111 4.059 4.170 -0.000 0.000 0.248 279 I C 2.539 178.680 176.117 0.041 0.000 1.117 279 I CA 1.156 62.489 61.300 0.055 0.000 1.404 279 I CB -0.838 37.200 38.000 0.064 0.000 1.071 279 I HN 0.339 nan 8.210 nan 0.000 0.419 280 R N 1.722 122.247 120.500 0.042 0.000 2.083 280 R HA -0.208 4.132 4.340 -0.000 0.000 0.237 280 R C 2.119 178.434 176.300 0.025 0.000 1.137 280 R CA 1.895 58.014 56.100 0.032 0.000 0.951 280 R CB -0.854 29.466 30.300 0.034 0.000 0.851 280 R HN 0.416 nan 8.270 nan 0.000 0.434 281 E N -0.226 119.989 120.200 0.026 0.000 2.160 281 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 281 E C 1.448 178.060 176.600 0.020 0.000 0.991 281 E CA 1.363 57.776 56.400 0.021 0.000 0.810 281 E CB 0.117 29.830 29.700 0.022 0.000 0.742 281 E HN 0.336 nan 8.360 nan 0.000 0.466 282 K N -0.362 120.052 120.400 0.024 0.000 2.276 282 K HA 0.100 4.420 4.320 -0.000 0.000 0.198 282 K C 0.869 177.481 176.600 0.020 0.000 1.052 282 K CA -0.117 56.183 56.287 0.022 0.000 0.984 282 K CB 0.536 33.052 32.500 0.026 0.000 0.836 282 K HN -0.139 nan 8.250 nan 0.000 0.490 283 S N 0.396 116.108 115.700 0.021 0.000 2.592 283 S HA 0.250 4.720 4.470 -0.000 0.000 0.271 283 S C 0.616 175.223 174.600 0.013 0.000 1.326 283 S CA -0.006 58.204 58.200 0.017 0.000 1.024 283 S CB 1.206 64.417 63.200 0.018 0.000 0.921 283 S HN 0.285 nan 8.310 nan 0.000 0.527 284 K N 3.505 123.911 120.400 0.010 0.000 2.399 284 K HA 0.440 4.760 4.320 -0.000 0.000 0.204 284 K C 0.256 176.859 176.600 0.005 0.000 1.023 284 K CA 0.097 56.388 56.287 0.007 0.000 1.127 284 K CB -0.514 31.990 32.500 0.007 0.000 0.856 284 K HN 0.652 nan 8.250 nan 0.000 0.514 285 L N 1.038 122.264 121.223 0.005 0.000 2.344 285 L HA 0.453 4.793 4.340 -0.000 0.000 0.272 285 L C -2.382 174.486 176.870 -0.003 0.000 1.035 285 L CA -2.488 52.353 54.840 0.000 0.000 0.807 285 L CB 1.733 43.792 42.059 0.000 0.000 1.237 285 L HN 0.013 nan 8.230 nan 0.000 0.442 286 P HA 0.148 nan 4.420 nan 0.000 0.269 286 P C -0.879 176.409 177.300 -0.020 0.000 1.209 286 P CA -0.035 63.056 63.100 -0.015 0.000 0.776 286 P CB 0.486 32.173 31.700 -0.023 0.000 0.876 287 M N 1.880 121.468 119.600 -0.019 0.000 2.364 287 M HA 0.398 4.878 4.480 -0.000 0.000 0.334 287 M C -0.735 175.541 176.300 -0.040 0.000 1.107 287 M CA -0.809 54.480 55.300 -0.018 0.000 0.988 287 M CB 1.722 34.327 32.600 0.008 0.000 1.673 287 M HN 0.008 nan 8.290 nan 0.000 0.441 288 V N 1.726 121.602 119.914 -0.063 0.000 2.604 288 V HA 0.888 5.008 4.120 -0.000 0.000 0.305 288 V C -0.114 175.932 176.094 -0.080 0.000 1.043 288 V CA -0.997 61.240 62.300 -0.105 0.000 0.888 288 V CB 1.678 33.405 31.823 -0.159 0.000 0.995 288 V HN 0.982 nan 8.190 nan 0.000 0.429 289 A N 3.054 125.812 122.820 -0.103 0.000 2.337 289 A HA 0.841 5.161 4.320 -0.000 0.000 0.331 289 A C -1.654 175.845 177.584 -0.142 0.000 1.137 289 A CA -0.541 51.470 52.037 -0.044 0.000 0.807 289 A CB 1.270 20.316 19.000 0.077 0.000 1.250 289 A HN 0.782 nan 8.150 nan 0.000 0.468 290 Y N 1.206 121.461 120.300 -0.074 0.000 2.345 290 Y HA 0.276 4.826 4.550 -0.000 0.000 0.331 290 Y C 0.089 176.061 175.900 0.119 0.000 0.959 290 Y CA -0.577 57.507 58.100 -0.028 0.000 1.204 290 Y CB 0.795 39.294 38.460 0.066 0.000 1.135 290 Y HN 0.777 nan 8.280 nan 0.000 0.477 291 H N 6.639 125.833 119.070 0.208 0.000 3.067 291 H HA 0.431 4.986 4.556 -0.000 0.000 0.265 291 H C -0.285 175.376 175.328 0.556 0.000 1.234 291 H CA -0.496 55.775 56.048 0.371 0.000 1.452 291 H CB 0.257 30.156 29.762 0.228 0.000 1.527 291 H HN 0.585 nan 8.280 nan 0.000 0.486 292 V N 2.444 122.613 119.914 0.424 0.000 3.214 292 V HA 0.069 4.188 4.120 -0.000 0.000 0.306 292 V C 1.558 177.920 176.094 0.447 0.000 1.078 292 V CA 0.108 62.663 62.300 0.425 0.000 1.077 292 V CB 1.247 33.228 31.823 0.263 0.000 1.121 292 V HN 0.851 nan 8.190 nan 0.000 0.468 293 S N 1.414 117.411 115.700 0.494 0.000 2.380 293 S HA -0.170 4.300 4.470 -0.000 0.000 0.229 293 S C 1.813 176.585 174.600 0.287 0.000 1.043 293 S CA 1.704 60.074 58.200 0.283 0.000 1.038 293 S CB -1.408 61.918 63.200 0.209 0.000 0.872 293 S HN 1.551 nan 8.310 nan 0.000 0.456 294 G N 1.000 109.985 108.800 0.308 0.000 2.464 294 G HA2 0.017 3.977 3.960 -0.000 0.000 0.217 294 G HA3 0.017 3.977 3.960 -0.000 0.000 0.217 294 G C 1.361 176.449 174.900 0.313 0.000 1.138 294 G CA 0.462 45.764 45.100 0.336 0.000 0.793 294 G HN 0.640 nan 8.290 nan 0.000 0.539 295 E N -0.531 119.784 120.200 0.191 0.000 2.072 295 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 295 E C 1.996 178.667 176.600 0.119 0.000 0.985 295 E CA 0.798 57.238 56.400 0.066 0.000 0.801 295 E CB -0.251 29.413 29.700 -0.059 0.000 0.750 295 E HN 0.533 nan 8.360 nan 0.000 0.452 296 Y N 1.508 121.802 120.300 -0.011 0.000 2.128 296 Y HA -0.285 4.265 4.550 -0.000 0.000 0.284 296 Y C 2.283 178.282 175.900 0.164 0.000 1.154 296 Y CA 1.710 59.892 58.100 0.137 0.000 1.149 296 Y CB -0.406 38.147 38.460 0.155 0.000 0.976 296 Y HN -0.004 nan 8.280 nan 0.000 0.505 297 A N 0.202 123.162 122.820 0.232 0.000 1.940 297 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 297 A C 2.271 179.895 177.584 0.067 0.000 1.176 297 A CA 2.077 54.182 52.037 0.113 0.000 0.631 297 A CB -0.796 18.302 19.000 0.163 0.000 0.814 297 A HN 0.635 nan 8.150 nan 0.000 0.446 298 M N -0.919 118.756 119.600 0.126 0.000 2.132 298 M HA -0.058 4.422 4.480 -0.000 0.000 0.263 298 M C 2.131 178.491 176.300 0.101 0.000 1.065 298 M CA 1.267 56.643 55.300 0.127 0.000 1.122 298 M CB -0.441 32.261 32.600 0.171 0.000 1.365 298 M HN 0.369 nan 8.290 nan 0.000 0.411 299 L N -0.144 121.151 121.223 0.120 0.000 1.994 299 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 299 L C 2.711 179.626 176.870 0.075 0.000 1.071 299 L CA 1.178 56.094 54.840 0.126 0.000 0.745 299 L CB -0.624 41.577 42.059 0.237 0.000 0.892 299 L HN 0.209 nan 8.230 nan 0.000 0.431 300 K N 0.002 120.395 120.400 -0.012 0.000 2.009 300 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 300 K C 2.150 178.729 176.600 -0.036 0.000 1.049 300 K CA 1.685 57.933 56.287 -0.065 0.000 0.929 300 K CB -0.593 31.760 32.500 -0.244 0.000 0.714 300 K HN 0.320 nan 8.250 nan 0.000 0.440 301 A N 1.386 124.191 122.820 -0.026 0.000 1.851 301 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 301 A C 2.442 179.977 177.584 -0.081 0.000 1.195 301 A CA 2.681 54.699 52.037 -0.031 0.000 0.622 301 A CB -0.886 18.122 19.000 0.012 0.000 0.831 301 A HN 0.359 nan 8.150 nan 0.000 0.444 302 A N -0.481 122.323 122.820 -0.026 0.000 1.940 302 A HA 0.133 4.453 4.320 -0.000 0.000 0.219 302 A C 2.495 180.008 177.584 -0.118 0.000 1.176 302 A CA 2.314 54.326 52.037 -0.042 0.000 0.631 302 A CB -0.982 18.085 19.000 0.113 0.000 0.814 302 A HN 1.107 nan 8.150 nan 0.000 0.446 303 A N -0.327 122.464 122.820 -0.048 0.000 1.873 303 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 303 A C 1.886 179.423 177.584 -0.079 0.000 1.186 303 A CA 1.518 53.532 52.037 -0.037 0.000 0.616 303 A CB -0.584 18.431 19.000 0.026 0.000 0.823 303 A HN 0.601 nan 8.150 nan 0.000 0.442 304 E N -0.164 119.988 120.200 -0.080 0.000 2.114 304 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 304 E C 1.648 178.156 176.600 -0.154 0.000 1.008 304 E CA 1.418 57.766 56.400 -0.086 0.000 0.810 304 E CB -0.127 29.532 29.700 -0.068 0.000 0.739 304 E HN 0.458 nan 8.360 nan 0.000 0.456 305 K N -0.869 119.351 120.400 -0.301 0.000 2.487 305 K HA 0.008 4.328 4.320 -0.000 0.000 0.192 305 K C 0.968 177.328 176.600 -0.400 0.000 1.027 305 K CA 0.585 56.596 56.287 -0.461 0.000 1.054 305 K CB 0.699 32.658 32.500 -0.901 0.000 0.824 305 K HN 0.308 nan 8.250 nan 0.000 0.510 306 G N 0.916 109.576 108.800 -0.234 0.000 2.176 306 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.253 306 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.253 306 G C 0.513 175.453 174.900 0.066 0.000 0.979 306 G CA 0.237 45.298 45.100 -0.064 0.000 0.641 306 G HN 0.235 nan 8.290 nan 0.000 0.530 307 Y N 0.288 120.587 120.300 -0.002 0.000 2.314 307 Y HA 0.327 4.877 4.550 -0.000 0.000 0.293 307 Y C 1.994 177.886 175.900 -0.014 0.000 1.129 307 Y CA 0.455 58.551 58.100 -0.006 0.000 1.201 307 Y CB -0.283 38.177 38.460 -0.001 0.000 0.999 307 Y HN 0.683 nan 8.280 nan 0.000 0.541 308 I N -4.025 116.617 120.570 0.121 0.000 3.042 308 I HA 0.580 4.750 4.170 -0.000 0.000 0.310 308 I C -0.136 175.979 176.117 -0.003 0.000 1.117 308 I CA -1.428 59.900 61.300 0.047 0.000 1.003 308 I CB 2.159 40.182 38.000 0.039 0.000 1.228 308 I HN -0.307 nan 8.210 nan 0.000 0.443 309 S N 1.615 117.290 115.700 -0.042 0.000 2.465 309 S HA 0.171 4.641 4.470 -0.000 0.000 0.279 309 S C 0.779 175.310 174.600 -0.116 0.000 1.201 309 S CA -0.268 57.881 58.200 -0.084 0.000 1.053 309 S CB 0.721 63.852 63.200 -0.115 0.000 0.953 309 S HN 0.884 nan 8.310 nan 0.000 0.488 310 E N 4.277 124.413 120.200 -0.106 0.000 2.047 310 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 310 E C 1.834 178.283 176.600 -0.252 0.000 0.987 310 E CA 1.204 57.549 56.400 -0.091 0.000 0.799 310 E CB -0.107 29.621 29.700 0.047 0.000 0.752 310 E HN 0.813 nan 8.360 nan 0.000 0.449 311 K N 0.262 120.374 120.400 -0.479 0.000 2.026 311 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 311 K C 1.716 177.930 176.600 -0.644 0.000 1.048 311 K CA 1.932 57.605 56.287 -1.024 0.000 0.929 311 K CB -0.020 31.772 32.500 -1.179 0.000 0.713 311 K HN 0.093 nan 8.250 nan 0.000 0.439 312 D N 0.017 120.154 120.400 -0.437 0.000 2.117 312 D HA -0.133 4.506 4.640 -0.000 0.000 0.197 312 D C 1.987 178.142 176.300 -0.240 0.000 0.987 312 D CA 1.982 55.785 54.000 -0.329 0.000 0.829 312 D CB -0.377 40.276 40.800 -0.244 0.000 0.961 312 D HN 0.509 nan 8.370 nan 0.000 0.460 313 T N -1.324 113.110 114.554 -0.200 0.000 2.896 313 T HA -0.026 4.324 4.350 -0.000 0.000 0.263 313 T C 2.249 176.865 174.700 -0.140 0.000 1.050 313 T CA 0.499 62.515 62.100 -0.139 0.000 1.140 313 T CB -0.619 68.194 68.868 -0.092 0.000 0.877 313 T HN -0.054 nan 8.240 nan 0.000 0.457 314 V N 1.774 121.577 119.914 -0.184 0.000 2.358 314 V HA -0.040 4.080 4.120 -0.000 0.000 0.246 314 V C 2.737 178.787 176.094 -0.073 0.000 1.047 314 V CA 1.369 63.560 62.300 -0.181 0.000 1.035 314 V CB -0.752 30.921 31.823 -0.250 0.000 0.658 314 V HN 0.445 nan 8.190 nan 0.000 0.452 315 L N -0.101 121.069 121.223 -0.088 0.000 2.083 315 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 315 L C 2.575 179.404 176.870 -0.068 0.000 1.083 315 L CA 2.059 56.861 54.840 -0.064 0.000 0.752 315 L CB -0.515 41.435 42.059 -0.182 0.000 0.899 315 L HN 0.458 nan 8.230 nan 0.000 0.433 316 E N -0.002 120.136 120.200 -0.102 0.000 2.152 316 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 316 E C 2.207 178.756 176.600 -0.085 0.000 0.983 316 E CA 0.740 57.086 56.400 -0.090 0.000 0.818 316 E CB 0.261 29.900 29.700 -0.102 0.000 0.758 316 E HN 0.236 nan 8.360 nan 0.000 0.467 317 V N 1.431 121.291 119.914 -0.090 0.000 2.358 317 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 317 V C 2.389 178.475 176.094 -0.015 0.000 1.047 317 V CA 1.405 63.634 62.300 -0.119 0.000 1.035 317 V CB -0.366 31.381 31.823 -0.127 0.000 0.658 317 V HN 0.365 nan 8.190 nan 0.000 0.452 318 L N -0.210 121.049 121.223 0.059 0.000 2.093 318 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 318 L C 2.560 179.499 176.870 0.115 0.000 1.085 318 L CA 1.526 56.457 54.840 0.151 0.000 0.755 318 L CB -0.684 41.425 42.059 0.083 0.000 0.904 318 L HN 0.288 nan 8.230 nan 0.000 0.435 319 K N 0.450 120.874 120.400 0.041 0.000 2.097 319 K HA -0.100 4.219 4.320 -0.000 0.000 0.206 319 K C 2.184 178.788 176.600 0.007 0.000 1.049 319 K CA 1.563 57.864 56.287 0.022 0.000 0.933 319 K CB -0.222 32.276 32.500 -0.004 0.000 0.717 319 K HN 0.042 nan 8.250 nan 0.000 0.442 320 S N -0.032 115.641 115.700 -0.045 0.000 2.368 320 S HA -0.054 4.416 4.470 -0.000 0.000 0.225 320 S C 1.625 176.173 174.600 -0.088 0.000 1.030 320 S CA 1.194 59.328 58.200 -0.111 0.000 0.999 320 S CB -0.441 62.630 63.200 -0.215 0.000 0.844 320 S HN 0.265 nan 8.310 nan 0.000 0.459 321 F N 1.574 121.496 119.950 -0.046 0.000 2.126 321 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 321 F C 2.543 178.329 175.800 -0.023 0.000 1.096 321 F CA 1.283 59.264 58.000 -0.032 0.000 1.255 321 F CB -0.363 38.610 39.000 -0.044 0.000 0.997 321 F HN 0.037 nan 8.300 nan 0.000 0.479 322 R N 0.251 120.857 120.500 0.177 0.000 2.075 322 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 322 R C 2.417 178.748 176.300 0.052 0.000 1.126 322 R CA 1.197 57.351 56.100 0.091 0.000 0.963 322 R CB -0.332 30.005 30.300 0.061 0.000 0.858 322 R HN 0.121 nan 8.270 nan 0.000 0.435 323 R N -0.265 120.253 120.500 0.031 0.000 2.096 323 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 323 R C 1.769 178.076 176.300 0.012 0.000 1.127 323 R CA 1.485 57.590 56.100 0.009 0.000 0.968 323 R CB -0.310 29.983 30.300 -0.012 0.000 0.861 323 R HN 0.291 nan 8.270 nan 0.000 0.440 324 A N -0.337 122.494 122.820 0.017 0.000 2.178 324 A HA 0.055 4.375 4.320 -0.000 0.000 0.218 324 A C 1.395 179.007 177.584 0.046 0.000 1.157 324 A CA 1.320 53.370 52.037 0.023 0.000 0.689 324 A CB -0.273 18.739 19.000 0.020 0.000 0.787 324 A HN 0.640 nan 8.150 nan 0.000 0.465 325 G N -2.928 105.903 108.800 0.053 0.000 2.148 325 G HA2 0.236 4.196 3.960 -0.000 0.000 0.157 325 G HA3 0.236 4.196 3.960 -0.000 0.000 0.157 325 G C 0.176 175.107 174.900 0.051 0.000 1.012 325 G CA 0.001 45.128 45.100 0.045 0.000 0.677 325 G HN 1.448 nan 8.290 nan 0.000 0.506 326 A N 0.463 123.328 122.820 0.075 0.000 2.404 326 A HA 0.581 4.901 4.320 -0.000 0.000 0.273 326 A C 1.151 178.742 177.584 0.012 0.000 1.144 326 A CA 0.523 52.590 52.037 0.051 0.000 0.806 326 A CB 0.323 19.368 19.000 0.076 0.000 1.080 326 A HN 0.215 nan 8.150 nan 0.000 0.509 327 D N 1.475 121.868 120.400 -0.012 0.000 2.183 327 D HA 0.134 4.773 4.640 -0.000 0.000 0.203 327 D C 0.837 177.107 176.300 -0.051 0.000 0.969 327 D CA 1.799 55.784 54.000 -0.026 0.000 0.842 327 D CB 0.267 41.050 40.800 -0.028 0.000 0.957 327 D HN 0.666 nan 8.370 nan 0.000 0.484 328 A N 0.101 122.874 122.820 -0.078 0.000 2.556 328 A HA 0.592 4.912 4.320 -0.000 0.000 0.294 328 A C -1.202 176.270 177.584 -0.187 0.000 1.091 328 A CA -0.539 51.424 52.037 -0.124 0.000 0.704 328 A CB 2.249 21.168 19.000 -0.134 0.000 1.300 328 A HN -0.091 nan 8.150 nan 0.000 0.406 329 V N 0.609 120.373 119.914 -0.249 0.000 2.623 329 V HA 0.656 4.776 4.120 -0.000 0.000 0.304 329 V C 0.274 176.140 176.094 -0.381 0.000 1.054 329 V CA -0.371 61.691 62.300 -0.397 0.000 0.882 329 V CB 1.447 32.984 31.823 -0.477 0.000 1.002 329 V HN 1.452 nan 8.190 nan 0.000 0.424 330 A N 3.033 125.565 122.820 -0.481 0.000 2.320 330 A HA 0.807 5.127 4.320 -0.000 0.000 0.287 330 A C 0.128 177.410 177.584 -0.504 0.000 1.181 330 A CA -0.106 51.570 52.037 -0.602 0.000 0.831 330 A CB 0.880 19.244 19.000 -1.060 0.000 1.102 330 A HN 0.984 nan 8.150 nan 0.000 0.513 331 T N 1.455 115.796 114.554 -0.355 0.000 3.097 331 T HA 0.418 4.768 4.350 -0.000 0.000 0.332 331 T C -0.123 174.515 174.700 -0.104 0.000 1.269 331 T CA -0.390 61.652 62.100 -0.097 0.000 1.076 331 T CB 0.325 69.304 68.868 0.184 0.000 1.209 331 T HN 0.409 nan 8.240 nan 0.000 0.474 332 Y N 2.342 122.768 120.300 0.209 0.000 2.497 332 Y HA 0.075 4.625 4.550 -0.000 0.000 0.292 332 Y C 1.417 177.391 175.900 0.124 0.000 1.137 332 Y CA 0.736 58.868 58.100 0.052 0.000 1.285 332 Y CB -0.393 37.723 38.460 -0.574 0.000 0.991 332 Y HN 0.704 nan 8.280 nan 0.000 0.556 333 Y N -0.738 119.789 120.300 0.378 0.000 2.529 333 Y HA 0.102 4.652 4.550 -0.000 0.000 0.290 333 Y C 2.225 178.071 175.900 -0.090 0.000 1.177 333 Y CA -0.043 58.182 58.100 0.207 0.000 1.305 333 Y CB -0.553 38.077 38.460 0.284 0.000 1.047 333 Y HN 0.137 nan 8.280 nan 0.000 0.522 334 A N 0.605 123.401 122.820 -0.040 0.000 1.873 334 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 334 A C 2.312 179.646 177.584 -0.417 0.000 1.193 334 A CA 2.240 54.140 52.037 -0.228 0.000 0.629 334 A CB -0.565 18.302 19.000 -0.221 0.000 0.826 334 A HN 0.440 nan 8.150 nan 0.000 0.447 335 K N -0.797 119.134 120.400 -0.781 0.000 2.057 335 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 335 K C 2.038 178.354 176.600 -0.474 0.000 1.049 335 K CA 1.796 57.723 56.287 -0.601 0.000 0.931 335 K CB -0.139 31.955 32.500 -0.676 0.000 0.714 335 K HN 0.408 nan 8.250 nan 0.000 0.440 336 E N 0.140 120.053 120.200 -0.479 0.000 2.106 336 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 336 E C 1.600 177.528 176.600 -1.120 0.000 0.984 336 E CA 1.258 57.207 56.400 -0.751 0.000 0.806 336 E CB -0.083 29.279 29.700 -0.563 0.000 0.750 336 E HN 0.423 nan 8.360 nan 0.000 0.458 337 A N 0.645 123.100 122.820 -0.608 0.000 1.898 337 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 337 A C 2.408 179.915 177.584 -0.129 0.000 1.181 337 A CA 1.746 53.642 52.037 -0.236 0.000 0.620 337 A CB -0.951 18.058 19.000 0.015 0.000 0.819 337 A HN 0.348 nan 8.150 nan 0.000 0.442 338 A N 0.029 122.733 122.820 -0.193 0.000 1.883 338 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 338 A C 2.146 179.627 177.584 -0.172 0.000 1.186 338 A CA 2.167 54.139 52.037 -0.107 0.000 0.624 338 A CB -0.512 18.449 19.000 -0.066 0.000 0.822 338 A HN 0.566 nan 8.150 nan 0.000 0.444 339 K N -1.475 118.618 120.400 -0.512 0.000 2.097 339 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 339 K C 1.814 178.258 176.600 -0.259 0.000 1.049 339 K CA 1.514 57.318 56.287 -0.805 0.000 0.933 339 K CB -0.243 31.568 32.500 -1.148 0.000 0.717 339 K HN 0.663 nan 8.250 nan 0.000 0.442 340 W N 0.796 122.037 121.300 -0.098 0.000 2.388 340 W HA -0.078 4.582 4.660 -0.000 0.000 0.294 340 W C 2.009 178.601 176.519 0.121 0.000 1.212 340 W CA 0.639 58.017 57.345 0.055 0.000 1.271 340 W CB -0.728 28.805 29.460 0.122 0.000 1.126 340 W HN 0.153 nan 8.180 nan 0.000 0.535 341 M N -0.439 119.337 119.600 0.294 0.000 2.132 341 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 341 M C 1.922 178.221 176.300 -0.001 0.000 1.065 341 M CA 1.293 56.662 55.300 0.115 0.000 1.122 341 M CB -0.876 31.790 32.600 0.109 0.000 1.365 341 M HN -0.291 nan 8.290 nan 0.000 0.411 342 V N 0.284 120.225 119.914 0.046 0.000 2.379 342 V HA -0.205 3.914 4.120 -0.000 0.000 0.245 342 V C 2.011 178.139 176.094 0.056 0.000 1.044 342 V CA 1.729 64.067 62.300 0.064 0.000 1.036 342 V CB -0.749 31.174 31.823 0.167 0.000 0.664 342 V HN 0.458 nan 8.190 nan 0.000 0.453 343 E N 0.116 120.361 120.200 0.074 0.000 2.085 343 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 343 E C 1.956 178.583 176.600 0.044 0.000 0.994 343 E CA 1.761 58.212 56.400 0.084 0.000 0.801 343 E CB -0.178 29.596 29.700 0.124 0.000 0.743 343 E HN 0.699 nan 8.360 nan 0.000 0.453 344 D N 0.106 120.505 120.400 -0.002 0.000 2.117 344 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 344 D C 1.918 178.136 176.300 -0.137 0.000 0.982 344 D CA 0.860 54.791 54.000 -0.116 0.000 0.828 344 D CB 0.072 40.606 40.800 -0.443 0.000 0.967 344 D HN -0.023 nan 8.370 nan 0.000 0.464 345 M N 0.221 119.742 119.600 -0.132 0.000 2.213 345 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 345 M C 1.475 177.751 176.300 -0.039 0.000 1.062 345 M CA 1.558 56.803 55.300 -0.092 0.000 1.105 345 M CB 0.053 32.613 32.600 -0.066 0.000 1.385 345 M HN -0.109 nan 8.290 nan 0.000 0.417 346 K N -1.251 119.142 120.400 -0.011 0.000 2.323 346 K HA 0.194 4.514 4.320 -0.000 0.000 0.197 346 K C 1.473 178.078 176.600 0.009 0.000 1.043 346 K CA 0.582 56.874 56.287 0.009 0.000 0.997 346 K CB 0.064 32.583 32.500 0.032 0.000 0.807 346 K HN 0.466 nan 8.250 nan 0.000 0.497 347 G N 0.292 109.095 108.800 0.005 0.000 3.380 347 G HA2 0.081 4.041 3.960 -0.000 0.000 0.188 347 G HA3 0.081 4.041 3.960 -0.000 0.000 0.188 347 G C 1.278 176.179 174.900 0.001 0.000 1.892 347 G CA 0.604 45.711 45.100 0.012 0.000 0.912 347 G HN 0.183 nan 8.290 nan 0.000 0.609 348 T N 0.332 114.889 114.554 0.004 0.000 3.160 348 T HA 0.218 4.568 4.350 -0.000 0.000 0.257 348 T C 1.040 175.731 174.700 -0.015 0.000 1.147 348 T CA 1.148 63.249 62.100 0.003 0.000 1.064 348 T CB -0.733 68.146 68.868 0.019 0.000 0.949 348 T HN 0.596 nan 8.240 nan 0.000 0.526 349 Q N -0.232 119.540 119.800 -0.047 0.000 2.398 349 Q HA -0.225 4.114 4.340 -0.000 0.000 0.367 349 Q C 1.070 177.035 176.000 -0.057 0.000 1.337 349 Q CA 0.589 56.337 55.803 -0.091 0.000 1.130 349 Q CB -2.340 26.353 28.738 -0.075 0.000 1.320 349 Q HN 0.699 nan 8.270 nan 0.000 0.352 350 K N 1.143 121.530 120.400 -0.021 0.000 2.314 350 K HA 0.128 4.448 4.320 -0.000 0.000 0.198 350 K C 1.054 177.745 176.600 0.152 0.000 1.045 350 K CA 1.177 57.507 56.287 0.071 0.000 0.988 350 K CB -0.104 32.470 32.500 0.123 0.000 0.783 350 K HN 0.711 nan 8.250 nan 0.000 0.484 351 F N -1.218 118.728 119.950 -0.007 0.000 2.915 351 F HA 0.288 4.815 4.527 -0.000 0.000 0.347 351 F C 0.300 176.102 175.800 0.003 0.000 1.104 351 F CA 0.047 58.042 58.000 -0.008 0.000 1.126 351 F CB 0.229 39.216 39.000 -0.021 0.000 1.145 351 F HN -0.060 nan 8.300 nan 0.000 0.541 352 T N -0.487 113.817 114.554 -0.416 0.000 2.932 352 T HA 0.736 5.086 4.350 -0.000 0.000 0.289 352 T C -0.753 173.861 174.700 -0.143 0.000 1.039 352 T CA -0.284 61.628 62.100 -0.314 0.000 1.024 352 T CB 2.762 71.346 68.868 -0.472 0.000 1.090 352 T HN 0.561 nan 8.240 nan 0.000 0.496 353 E N 0.201 120.353 120.200 -0.081 0.000 2.445 353 E HA 0.629 4.979 4.350 -0.000 0.000 0.279 353 E C -2.971 173.616 176.600 -0.022 0.000 1.018 353 E CA -2.093 54.281 56.400 -0.043 0.000 0.816 353 E CB 0.551 30.239 29.700 -0.020 0.000 1.356 353 E HN 0.480 nan 8.360 nan 0.000 0.462 354 P HA 0.260 nan 4.420 nan 0.000 0.274 354 P C -0.363 176.961 177.300 0.039 0.000 1.231 354 P CA -0.391 62.723 63.100 0.024 0.000 0.790 354 P CB 0.556 32.279 31.700 0.038 0.000 0.951 355 C N 0.902 120.235 119.300 0.055 0.000 3.285 355 C HA 0.933 5.393 4.460 -0.000 0.000 0.320 355 C C -0.942 174.134 174.990 0.144 0.000 1.411 355 C CA -0.870 58.177 59.018 0.048 0.000 1.429 355 C CB 0.972 28.702 27.740 -0.017 0.000 1.812 355 C HN 0.780 nan 8.230 nan 0.000 0.454 356 Y N 0.000 120.298 120.300 -0.003 0.000 2.660 356 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 356 Y CA 0.000 58.098 58.100 -0.003 0.000 1.940 356 Y CB 0.000 38.459 38.460 -0.002 0.000 1.050 356 Y HN 0.000 nan 8.280 nan 0.000 0.758