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 3b70_1_A DATA FIRST_RESID 4 DATA SEQUENCE QPFIPPPQQT ALTVNDHDEV TVWNAAPCPM LPRDQVYVRV EAVAINPSDT DATA SEQUENCE KMRGQFATPW AFLGTDYAGT VVAVGSDVTH IQVGDRVYGA QNEMCPRTPD DATA SEQUENCE QGAFSQYTVT RGRVWAKIPK GLSFEQAAAL PAGISTAGLA MKLLGLPLPS DATA SEQUENCE PSADQPPTHS KPVYVLVYGG STATATVTMQ MLRLSGYIPI ATCSPHNFDL DATA SEQUENCE AKSRGAEEVF DYRAPNLAQT IRTYTKNNLR YALDCITNVE STTFCFAAIG DATA SEQUENCE RAGGHYVSLN PFPEXXXTRK MVTTDWTLGP TIFGEGSTWP APYGRPGSEE DATA SEQUENCE ERQFGEDLWR IAGQLVEDGR LVHHPLRVVQ GGFDHIKQGM ELVRKGELSG DATA SEQUENCE EKLVVRLEGP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.026 176.000 0.043 0.000 1.003 4 Q CA 0.000 55.822 55.803 0.031 0.000 1.022 4 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 5 P HA 0.259 nan 4.420 nan 0.000 0.268 5 P C -1.403 175.929 177.300 0.054 0.000 1.205 5 P CA -0.008 63.110 63.100 0.031 0.000 0.771 5 P CB 0.222 31.917 31.700 -0.007 0.000 0.858 6 F N 3.294 123.184 119.950 -0.100 0.000 2.408 6 F HA 0.429 4.957 4.527 0.000 0.000 0.344 6 F C -0.639 175.047 175.800 -0.191 0.000 1.112 6 F CA -0.874 57.033 58.000 -0.156 0.000 1.096 6 F CB 0.665 39.547 39.000 -0.197 0.000 1.129 6 F HN 0.096 nan 8.300 nan 0.000 0.486 7 I N 7.639 127.574 120.570 -1.058 0.000 2.411 7 I HA 0.294 4.464 4.170 0.001 0.000 0.284 7 I C -2.331 172.971 176.117 -1.357 0.000 1.012 7 I CA -2.388 58.388 61.300 -0.872 0.000 1.119 7 I CB 1.195 38.909 38.000 -0.478 0.000 1.261 7 I HN 0.424 nan 8.210 nan 0.000 0.448 8 P HA 0.266 nan 4.420 nan 0.000 0.272 8 P C -2.431 174.559 177.300 -0.516 0.000 1.223 8 P CA -0.952 61.648 63.100 -0.834 0.000 0.784 8 P CB -0.272 31.212 31.700 -0.359 0.000 0.923 9 P HA 0.003 nan 4.420 nan 0.000 0.267 9 P C -1.574 175.607 177.300 -0.198 0.000 1.201 9 P CA -0.741 62.182 63.100 -0.295 0.000 0.775 9 P CB -0.522 31.004 31.700 -0.289 0.000 0.854 10 P HA -0.119 nan 4.420 nan 0.000 0.221 10 P C 0.058 177.295 177.300 -0.105 0.000 1.150 10 P CA 1.481 64.509 63.100 -0.120 0.000 0.800 10 P CB 0.347 31.986 31.700 -0.102 0.000 0.787 11 Q N -1.237 118.500 119.800 -0.105 0.000 2.630 11 Q HA 0.519 4.859 4.340 0.001 0.000 0.295 11 Q C -1.222 174.715 176.000 -0.104 0.000 0.944 11 Q CA -0.981 54.745 55.803 -0.128 0.000 0.766 11 Q CB 1.470 30.114 28.738 -0.156 0.000 1.471 11 Q HN 0.074 nan 8.270 nan 0.000 0.416 12 Q N -0.655 119.047 119.800 -0.162 0.000 2.707 12 Q HA 0.631 4.971 4.340 0.001 0.000 0.307 12 Q C -1.313 174.503 176.000 -0.307 0.000 0.934 12 Q CA -1.034 54.689 55.803 -0.134 0.000 0.753 12 Q CB 1.833 30.576 28.738 0.007 0.000 1.478 12 Q HN 0.565 nan 8.270 nan 0.000 0.458 13 T N 0.566 114.904 114.554 -0.360 0.000 2.837 13 T HA 0.786 5.136 4.350 0.001 0.000 0.285 13 T C -0.874 173.265 174.700 -0.936 0.000 0.984 13 T CA 0.020 61.751 62.100 -0.615 0.000 1.049 13 T CB 1.151 69.622 68.868 -0.662 0.000 0.947 13 T HN 0.663 nan 8.240 nan 0.000 0.472 14 A N 2.618 124.926 122.820 -0.852 0.000 2.587 14 A HA 0.779 5.099 4.320 0.001 0.000 0.293 14 A C -1.610 175.761 177.584 -0.354 0.000 1.087 14 A CA -0.748 50.796 52.037 -0.822 0.000 0.692 14 A CB 1.311 19.446 19.000 -1.442 0.000 1.291 14 A HN 0.697 nan 8.150 nan 0.000 0.407 15 L N 0.895 122.105 121.223 -0.021 0.000 2.289 15 L HA 0.790 5.130 4.340 0.001 0.000 0.285 15 L C 0.379 177.390 176.870 0.235 0.000 1.049 15 L CA 0.662 55.623 54.840 0.203 0.000 0.804 15 L CB 1.596 43.869 42.059 0.356 0.000 1.195 15 L HN 0.955 nan 8.230 nan 0.000 0.428 16 T N 2.786 117.466 114.554 0.210 0.000 2.654 16 T HA 0.681 5.031 4.350 0.001 0.000 0.289 16 T C -1.523 173.166 174.700 -0.017 0.000 1.062 16 T CA -0.427 61.777 62.100 0.173 0.000 1.041 16 T CB 1.243 70.299 68.868 0.312 0.000 1.417 16 T HN 0.259 nan 8.240 nan 0.000 0.510 17 V N 2.386 122.191 119.914 -0.182 0.000 2.555 17 V HA 0.461 4.582 4.120 0.001 0.000 0.302 17 V C 0.606 176.257 176.094 -0.739 0.000 1.038 17 V CA -0.903 61.210 62.300 -0.311 0.000 0.887 17 V CB 1.569 33.276 31.823 -0.192 0.000 0.991 17 V HN 0.923 nan 8.190 nan 0.000 0.434 18 N N 1.979 120.274 118.700 -0.676 0.000 2.207 18 N HA -0.026 4.715 4.740 0.001 0.000 0.223 18 N C 0.332 175.439 175.510 -0.672 0.000 1.339 18 N CA -0.201 52.374 53.050 -0.792 0.000 0.889 18 N CB 0.366 38.678 38.487 -0.292 0.000 1.128 18 N HN 0.687 nan 8.380 nan 0.000 0.456 19 D N -0.358 119.761 120.400 -0.468 0.000 2.347 19 D HA -0.062 4.578 4.640 0.001 0.000 0.215 19 D C 0.164 176.147 176.300 -0.528 0.000 0.976 19 D CA 1.142 54.891 54.000 -0.418 0.000 0.884 19 D CB 0.087 40.685 40.800 -0.337 0.000 0.915 19 D HN 0.445 nan 8.370 nan 0.000 0.526 20 H N 0.088 119.100 119.070 -0.097 0.000 2.475 20 H HA 0.092 4.648 4.556 0.000 0.000 0.276 20 H C -0.208 175.073 175.328 -0.079 0.000 1.126 20 H CA -0.227 55.782 56.048 -0.065 0.000 1.023 20 H CB 0.425 30.166 29.762 -0.036 0.000 1.669 20 H HN -0.015 nan 8.280 nan 0.000 0.573 21 D N 1.708 122.072 120.400 -0.060 0.000 2.772 21 D HA -0.174 4.466 4.640 0.001 0.000 0.233 21 D C -0.658 175.619 176.300 -0.038 0.000 1.143 21 D CA 0.737 54.701 54.000 -0.060 0.000 0.700 21 D CB -0.709 40.075 40.800 -0.026 0.000 1.076 21 D HN 0.617 nan 8.370 nan 0.000 0.430 22 E N -0.857 119.310 120.200 -0.055 0.000 2.212 22 E HA 0.522 4.872 4.350 0.001 0.000 0.268 22 E C -0.129 176.434 176.600 -0.062 0.000 0.902 22 E CA -1.292 55.087 56.400 -0.035 0.000 0.779 22 E CB 1.981 31.677 29.700 -0.006 0.000 1.172 22 E HN -0.029 nan 8.360 nan 0.000 0.409 23 V N 2.432 122.332 119.914 -0.024 0.000 2.521 23 V HA 0.185 4.305 4.120 0.001 0.000 0.286 23 V C 0.373 176.471 176.094 0.007 0.000 1.034 23 V CA 0.299 62.596 62.300 -0.004 0.000 1.045 23 V CB 0.533 32.375 31.823 0.032 0.000 0.974 23 V HN 0.856 nan 8.190 nan 0.000 0.480 24 T N 2.316 116.879 114.554 0.015 0.000 2.921 24 T HA 0.538 4.888 4.350 0.001 0.000 0.297 24 T C -0.845 173.931 174.700 0.126 0.000 1.013 24 T CA -0.672 61.460 62.100 0.052 0.000 0.990 24 T CB 1.511 70.388 68.868 0.015 0.000 1.023 24 T HN 0.265 nan 8.240 nan 0.000 0.447 25 V N 4.632 124.627 119.914 0.135 0.000 2.479 25 V HA 0.320 4.441 4.120 0.001 0.000 0.281 25 V C -0.320 175.912 176.094 0.230 0.000 1.031 25 V CA -0.362 62.024 62.300 0.142 0.000 1.038 25 V CB 0.018 31.910 31.823 0.116 0.000 0.981 25 V HN 0.885 nan 8.190 nan 0.000 0.478 26 W N 5.774 127.061 121.300 -0.021 0.000 2.362 26 W HA 0.468 5.128 4.660 0.001 0.000 0.316 26 W C 0.393 176.869 176.519 -0.071 0.000 1.024 26 W CA -1.843 55.526 57.345 0.039 0.000 1.270 26 W CB 0.913 30.485 29.460 0.188 0.000 1.273 26 W HN 0.647 nan 8.180 nan 0.000 0.424 27 N N 3.182 121.929 118.700 0.079 0.000 2.336 27 N HA 0.194 4.934 4.740 0.001 0.000 0.189 27 N C 0.732 176.107 175.510 -0.224 0.000 1.113 27 N CA 0.453 53.436 53.050 -0.111 0.000 0.858 27 N CB 0.678 39.154 38.487 -0.017 0.000 0.970 27 N HN 0.349 nan 8.380 nan 0.000 0.471 28 A N 0.094 122.662 122.820 -0.420 0.000 2.643 28 A HA 0.647 4.967 4.320 0.001 0.000 0.295 28 A C 0.309 177.307 177.584 -0.976 0.000 1.065 28 A CA -0.500 51.275 52.037 -0.436 0.000 0.986 28 A CB 0.030 18.979 19.000 -0.085 0.000 1.212 28 A HN 0.198 nan 8.150 nan 0.000 0.516 29 A N 1.656 123.647 122.820 -1.381 0.000 2.386 29 A HA 0.633 4.953 4.320 0.001 0.000 0.248 29 A C -2.314 174.955 177.584 -0.525 0.000 1.082 29 A CA -1.229 49.906 52.037 -1.504 0.000 0.789 29 A CB -0.123 18.317 19.000 -0.933 0.000 1.025 29 A HN 0.321 nan 8.150 nan 0.000 0.490 30 P HA 0.227 nan 4.420 nan 0.000 0.272 30 P C -0.722 176.629 177.300 0.086 0.000 1.230 30 P CA -0.228 62.837 63.100 -0.059 0.000 0.788 30 P CB 0.491 32.170 31.700 -0.035 0.000 0.949 31 C N 3.303 122.637 119.300 0.056 0.000 2.350 31 C HA 0.436 4.896 4.460 0.001 0.000 0.348 31 C C -1.582 173.489 174.990 0.136 0.000 1.260 31 C CA -1.245 57.859 59.018 0.144 0.000 1.966 31 C CB 0.486 28.294 27.740 0.113 0.000 2.380 31 C HN 0.547 nan 8.230 nan 0.000 0.535 32 P HA 0.106 nan 4.420 nan 0.000 0.270 32 P C -0.596 176.843 177.300 0.232 0.000 1.223 32 P CA 0.160 63.327 63.100 0.112 0.000 0.785 32 P CB 0.525 32.239 31.700 0.023 0.000 0.923 33 M N 1.202 120.884 119.600 0.138 0.000 2.291 33 M HA 0.232 4.712 4.480 0.001 0.000 0.324 33 M C 0.455 176.881 176.300 0.210 0.000 1.148 33 M CA -0.807 54.579 55.300 0.144 0.000 1.104 33 M CB 0.689 33.322 32.600 0.055 0.000 1.483 33 M HN 0.256 nan 8.290 nan 0.000 0.467 34 L N 4.475 125.827 121.223 0.215 0.000 2.268 34 L HA 0.412 4.752 4.340 0.001 0.000 0.289 34 L C -2.291 174.643 176.870 0.107 0.000 1.064 34 L CA -1.408 53.566 54.840 0.223 0.000 0.824 34 L CB 0.337 42.534 42.059 0.231 0.000 1.202 34 L HN 0.425 nan 8.230 nan 0.000 0.433 35 P HA 0.229 nan 4.420 nan 0.000 0.269 35 P C 0.562 177.892 177.300 0.050 0.000 1.209 35 P CA -0.270 62.858 63.100 0.046 0.000 0.776 35 P CB 0.584 32.302 31.700 0.030 0.000 0.876 36 R N 1.715 122.242 120.500 0.046 0.000 2.127 36 R HA -0.133 4.208 4.340 0.001 0.000 0.238 36 R C 0.757 177.091 176.300 0.057 0.000 1.134 36 R CA 1.695 57.823 56.100 0.046 0.000 0.975 36 R CB -0.476 29.848 30.300 0.040 0.000 0.865 36 R HN 0.632 nan 8.270 nan 0.000 0.447 37 D N -0.260 120.181 120.400 0.068 0.000 2.342 37 D HA 0.024 4.664 4.640 0.001 0.000 0.221 37 D C 0.282 176.665 176.300 0.138 0.000 1.101 37 D CA 0.085 54.145 54.000 0.102 0.000 0.837 37 D CB 0.272 41.134 40.800 0.103 0.000 0.938 37 D HN -0.050 nan 8.370 nan 0.000 0.508 38 Q N -0.029 119.816 119.800 0.075 0.000 2.668 38 Q HA 0.585 4.925 4.340 0.001 0.000 0.298 38 Q C -0.243 175.714 176.000 -0.073 0.000 1.071 38 Q CA -1.129 54.671 55.803 -0.005 0.000 0.789 38 Q CB 2.479 31.174 28.738 -0.070 0.000 1.497 38 Q HN 0.090 nan 8.270 nan 0.000 0.460 39 V N -2.253 117.514 119.914 -0.245 0.000 2.960 39 V HA 0.589 4.710 4.120 0.001 0.000 0.315 39 V C -1.229 174.752 176.094 -0.188 0.000 1.087 39 V CA -0.898 61.287 62.300 -0.191 0.000 0.982 39 V CB 1.756 33.451 31.823 -0.213 0.000 1.039 39 V HN 0.674 nan 8.190 nan 0.000 0.437 40 Y N 1.755 121.897 120.300 -0.264 0.000 2.320 40 Y HA 0.710 5.261 4.550 0.000 0.000 0.334 40 Y C -0.109 175.684 175.900 -0.179 0.000 1.055 40 Y CA -0.214 57.737 58.100 -0.248 0.000 1.143 40 Y CB 1.755 39.948 38.460 -0.445 0.000 1.193 40 Y HN 0.627 nan 8.280 nan 0.000 0.477 41 V N 6.767 126.528 119.914 -0.255 0.000 2.444 41 V HA 0.400 4.520 4.120 0.001 0.000 0.294 41 V C -0.328 175.716 176.094 -0.084 0.000 1.022 41 V CA -1.166 61.052 62.300 -0.135 0.000 0.850 41 V CB 1.503 33.203 31.823 -0.205 0.000 0.992 41 V HN 0.649 nan 8.190 nan 0.000 0.426 42 R N 3.828 124.310 120.500 -0.030 0.000 2.242 42 R HA 0.426 4.766 4.340 0.001 0.000 0.334 42 R C -0.752 175.401 176.300 -0.244 0.000 1.071 42 R CA -0.325 55.636 56.100 -0.233 0.000 0.922 42 R CB 0.810 31.032 30.300 -0.130 0.000 1.023 42 R HN 0.589 nan 8.270 nan 0.000 0.458 43 V N 5.722 125.469 119.914 -0.278 0.000 2.521 43 V HA -0.005 4.115 4.120 0.001 0.000 0.286 43 V C 0.928 176.874 176.094 -0.248 0.000 1.034 43 V CA 0.374 62.569 62.300 -0.175 0.000 1.045 43 V CB 1.295 33.064 31.823 -0.090 0.000 0.974 43 V HN 0.887 nan 8.190 nan 0.000 0.480 44 E N 3.200 123.204 120.200 -0.326 0.000 2.256 44 E HA 0.339 4.689 4.350 0.001 0.000 0.198 44 E C 0.529 176.957 176.600 -0.286 0.000 0.908 44 E CA 0.736 56.834 56.400 -0.503 0.000 0.915 44 E CB 0.937 29.839 29.700 -1.330 0.000 0.890 44 E HN 0.731 nan 8.360 nan 0.000 0.484 45 A N 1.137 123.881 122.820 -0.128 0.000 2.539 45 A HA 0.612 4.932 4.320 0.001 0.000 0.296 45 A C -0.632 176.991 177.584 0.065 0.000 1.073 45 A CA -0.640 51.384 52.037 -0.022 0.000 0.700 45 A CB 1.774 20.808 19.000 0.056 0.000 1.296 45 A HN 0.002 nan 8.150 nan 0.000 0.405 46 V N -1.722 118.229 119.914 0.061 0.000 2.962 46 V HA 0.993 5.113 4.120 0.001 0.000 0.313 46 V C -0.065 176.130 176.094 0.167 0.000 1.099 46 V CA -0.340 62.072 62.300 0.186 0.000 0.971 46 V CB 1.287 33.297 31.823 0.313 0.000 1.028 46 V HN 2.082 nan 8.190 nan 0.000 0.430 47 A N 3.985 126.954 122.820 0.248 0.000 2.337 47 A HA 0.908 5.228 4.320 0.001 0.000 0.331 47 A C -0.553 177.214 177.584 0.305 0.000 1.137 47 A CA -0.854 51.306 52.037 0.205 0.000 0.807 47 A CB 1.149 20.248 19.000 0.165 0.000 1.250 47 A HN 0.832 nan 8.150 nan 0.000 0.468 48 I N 2.173 122.878 120.570 0.226 0.000 2.385 48 I HA 0.317 4.487 4.170 0.001 0.000 0.294 48 I C -0.250 175.982 176.117 0.192 0.000 0.988 48 I CA -0.360 61.098 61.300 0.264 0.000 1.265 48 I CB 0.881 38.970 38.000 0.148 0.000 1.388 48 I HN 0.578 nan 8.210 nan 0.000 0.480 49 N N 6.978 125.793 118.700 0.191 0.000 2.272 49 N HA 0.362 5.102 4.740 0.001 0.000 0.305 49 N C -2.039 173.528 175.510 0.095 0.000 1.103 49 N CA -1.347 51.774 53.050 0.118 0.000 0.791 49 N CB 2.667 41.214 38.487 0.100 0.000 1.356 49 N HN 0.167 nan 8.380 nan 0.000 0.486 50 P HA -0.081 nan 4.420 nan 0.000 0.216 50 P C 1.074 178.389 177.300 0.025 0.000 1.150 50 P CA 1.389 64.514 63.100 0.042 0.000 0.843 50 P CB 0.366 32.082 31.700 0.027 0.000 0.787 51 S N -0.521 115.193 115.700 0.023 0.000 2.399 51 S HA -0.171 4.299 4.470 0.001 0.000 0.231 51 S C 1.474 176.071 174.600 -0.005 0.000 1.022 51 S CA 1.420 59.616 58.200 -0.007 0.000 0.983 51 S CB -1.101 62.104 63.200 0.008 0.000 0.803 51 S HN 0.270 nan 8.310 nan 0.000 0.480 52 D N 1.528 121.952 120.400 0.040 0.000 2.116 52 D HA -0.126 4.514 4.640 0.001 0.000 0.193 52 D C 2.298 178.642 176.300 0.073 0.000 0.998 52 D CA 1.902 55.947 54.000 0.074 0.000 0.836 52 D CB -0.946 39.973 40.800 0.197 0.000 0.951 52 D HN 0.614 nan 8.370 nan 0.000 0.449 53 T N -1.534 113.058 114.554 0.064 0.000 3.072 53 T HA -0.020 4.331 4.350 0.001 0.000 0.266 53 T C 1.475 176.179 174.700 0.007 0.000 1.127 53 T CA 0.608 62.736 62.100 0.047 0.000 1.107 53 T CB -0.038 68.857 68.868 0.045 0.000 0.910 53 T HN 0.080 nan 8.240 nan 0.000 0.513 54 K N 0.430 120.809 120.400 -0.034 0.000 2.374 54 K HA 0.288 4.608 4.320 0.001 0.000 0.196 54 K C 0.253 176.799 176.600 -0.091 0.000 1.023 54 K CA -0.104 56.123 56.287 -0.101 0.000 1.103 54 K CB 0.221 32.597 32.500 -0.206 0.000 0.848 54 K HN 0.327 nan 8.250 nan 0.000 0.528 55 M N 2.604 122.187 119.600 -0.028 0.000 2.775 55 M HA 0.175 4.655 4.480 0.001 0.000 0.313 55 M C -0.594 175.732 176.300 0.043 0.000 1.429 55 M CA 0.661 55.970 55.300 0.015 0.000 1.494 55 M CB -0.630 31.977 32.600 0.012 0.000 1.274 55 M HN -0.037 nan 8.290 nan 0.000 0.491 56 R N 0.252 120.811 120.500 0.098 0.000 2.664 56 R HA 0.581 4.921 4.340 0.001 0.000 0.260 56 R C 0.179 176.545 176.300 0.110 0.000 1.062 56 R CA 0.158 56.298 56.100 0.067 0.000 0.902 56 R CB 1.053 31.385 30.300 0.053 0.000 1.258 56 R HN 0.754 nan 8.270 nan 0.000 0.465 57 G N 1.565 110.376 108.800 0.018 0.000 2.539 57 G HA2 -0.376 3.584 3.960 0.001 0.000 0.256 57 G HA3 -0.376 3.584 3.960 0.001 0.000 0.256 57 G C 0.236 175.047 174.900 -0.148 0.000 1.233 57 G CA 0.672 45.744 45.100 -0.047 0.000 0.936 57 G HN 0.522 nan 8.290 nan 0.000 0.571 58 Q N 0.441 120.036 119.800 -0.341 0.000 2.373 58 Q HA 0.444 4.784 4.340 0.001 0.000 0.206 58 Q C 1.719 177.412 176.000 -0.511 0.000 0.942 58 Q CA 1.151 56.718 55.803 -0.392 0.000 0.953 58 Q CB -0.424 28.100 28.738 -0.357 0.000 1.022 58 Q HN 0.543 nan 8.270 nan 0.000 0.502 59 F N -0.512 119.366 119.950 -0.121 0.000 2.569 59 F HA 0.345 4.872 4.527 0.000 0.000 0.295 59 F C 1.057 176.780 175.800 -0.129 0.000 1.115 59 F CA 0.160 58.057 58.000 -0.172 0.000 1.450 59 F CB -0.331 38.519 39.000 -0.251 0.000 1.107 59 F HN 0.056 nan 8.300 nan 0.000 0.563 60 A N 0.227 123.056 122.820 0.016 0.000 2.328 60 A HA 0.523 4.843 4.320 0.001 0.000 0.284 60 A C 0.085 177.631 177.584 -0.064 0.000 1.160 60 A CA -0.184 51.838 52.037 -0.025 0.000 0.818 60 A CB -0.041 18.931 19.000 -0.047 0.000 1.087 60 A HN 0.077 nan 8.150 nan 0.000 0.504 61 T N 5.795 120.317 114.554 -0.053 0.000 2.781 61 T HA 0.431 4.781 4.350 0.001 0.000 0.305 61 T C -2.603 172.037 174.700 -0.100 0.000 1.001 61 T CA -0.811 61.256 62.100 -0.054 0.000 0.950 61 T CB 0.715 69.573 68.868 -0.016 0.000 0.955 61 T HN 0.415 nan 8.240 nan 0.000 0.471 62 P HA 0.008 nan 4.420 nan 0.000 0.264 62 P C -0.217 176.894 177.300 -0.314 0.000 1.183 62 P CA 0.336 63.168 63.100 -0.447 0.000 0.763 62 P CB 0.111 31.553 31.700 -0.429 0.000 0.807 63 W N 0.043 121.307 121.300 -0.061 0.000 1.628 63 W HA -0.259 4.401 4.660 0.000 0.000 0.245 63 W C 0.541 177.180 176.519 0.201 0.000 0.995 63 W CA 0.329 57.653 57.345 -0.035 0.000 0.424 63 W CB -2.160 27.171 29.460 -0.215 0.000 2.004 63 W HN 0.426 nan 8.180 nan 0.000 1.271 64 A N 0.867 123.816 122.820 0.215 0.000 2.371 64 A HA 0.534 4.854 4.320 0.001 0.000 0.257 64 A C -0.074 177.712 177.584 0.336 0.000 1.089 64 A CA -0.130 52.005 52.037 0.164 0.000 0.794 64 A CB 0.063 19.093 19.000 0.050 0.000 1.029 64 A HN 0.116 nan 8.150 nan 0.000 0.488 65 F N 1.067 121.093 119.950 0.126 0.000 2.429 65 F HA 0.343 4.870 4.527 0.001 0.000 0.348 65 F C 0.701 176.534 175.800 0.054 0.000 1.109 65 F CA -0.724 57.351 58.000 0.125 0.000 1.232 65 F CB 0.111 39.170 39.000 0.097 0.000 1.157 65 F HN 0.353 nan 8.300 nan 0.000 0.564 66 L N 1.157 122.542 121.223 0.271 0.000 2.454 66 L HA 0.731 5.071 4.340 0.001 0.000 0.256 66 L C 0.504 177.190 176.870 -0.307 0.000 1.136 66 L CA -0.498 54.389 54.840 0.079 0.000 0.804 66 L CB 0.879 43.094 42.059 0.261 0.000 1.181 66 L HN 0.797 nan 8.230 nan 0.000 0.469 67 G N 0.071 108.442 108.800 -0.715 0.000 3.067 67 G HA2 -0.109 3.851 3.960 0.001 0.000 0.686 67 G HA3 -0.109 3.851 3.960 0.001 0.000 0.686 67 G C -0.162 174.422 174.900 -0.527 0.000 1.119 67 G CA -0.262 43.951 45.100 -1.479 0.000 0.790 67 G HN 0.601 nan 8.290 nan 0.000 0.605 68 T N 0.825 115.187 114.554 -0.321 0.000 3.053 68 T HA 0.193 4.543 4.350 0.001 0.000 0.236 68 T C 0.569 175.343 174.700 0.125 0.000 0.996 68 T CA 0.991 63.089 62.100 -0.004 0.000 1.185 68 T CB 0.069 68.978 68.868 0.068 0.000 0.892 68 T HN 0.542 nan 8.240 nan 0.000 0.432 69 D N 1.845 122.323 120.400 0.130 0.000 2.280 69 D HA 0.416 5.056 4.640 0.001 0.000 0.243 69 D C -0.823 175.618 176.300 0.234 0.000 1.129 69 D CA -0.204 53.897 54.000 0.167 0.000 0.848 69 D CB 0.699 41.607 40.800 0.180 0.000 1.107 69 D HN 0.476 nan 8.370 nan 0.000 0.471 70 Y N 0.063 120.461 120.300 0.164 0.000 2.605 70 Y HA 0.807 5.357 4.550 0.000 0.000 0.343 70 Y C -1.409 174.609 175.900 0.196 0.000 1.036 70 Y CA -1.455 56.733 58.100 0.146 0.000 1.065 70 Y CB 1.344 39.853 38.460 0.082 0.000 1.288 70 Y HN 0.317 nan 8.280 nan 0.000 0.481 71 A N 0.981 123.979 122.820 0.295 0.000 2.520 71 A HA 0.937 5.257 4.320 0.001 0.000 0.298 71 A C -0.599 177.168 177.584 0.305 0.000 1.051 71 A CA -0.161 52.076 52.037 0.332 0.000 0.690 71 A CB 1.316 20.527 19.000 0.352 0.000 1.281 71 A HN 1.848 nan 8.150 nan 0.000 0.402 72 G N -0.522 108.489 108.800 0.351 0.000 2.554 72 G HA2 0.601 4.562 3.960 0.001 0.000 0.306 72 G HA3 0.601 4.562 3.960 0.001 0.000 0.306 72 G C -1.082 173.959 174.900 0.235 0.000 1.320 72 G CA -0.195 44.950 45.100 0.076 0.000 0.800 72 G HN 0.841 nan 8.290 nan 0.000 0.481 73 T N 0.733 115.327 114.554 0.066 0.000 2.795 73 T HA 0.498 4.848 4.350 0.001 0.000 0.282 73 T C 0.308 175.063 174.700 0.091 0.000 0.980 73 T CA -0.245 61.944 62.100 0.147 0.000 1.012 73 T CB 1.555 70.486 68.868 0.105 0.000 0.936 73 T HN 0.480 nan 8.240 nan 0.000 0.457 74 V N 4.576 124.550 119.914 0.099 0.000 2.529 74 V HA 0.076 4.196 4.120 0.001 0.000 0.292 74 V C 1.406 177.518 176.094 0.030 0.000 1.028 74 V CA 0.163 62.488 62.300 0.042 0.000 1.074 74 V CB 0.702 32.551 31.823 0.043 0.000 0.958 74 V HN 0.889 nan 8.190 nan 0.000 0.481 75 V N 1.344 121.252 119.914 -0.010 0.000 3.556 75 V HA 0.821 4.941 4.120 0.001 0.000 0.287 75 V C 0.464 176.394 176.094 -0.273 0.000 1.422 75 V CA 0.559 62.830 62.300 -0.050 0.000 1.038 75 V CB 0.061 31.929 31.823 0.076 0.000 0.850 75 V HN 1.036 nan 8.190 nan 0.000 0.437 76 A N -0.427 122.193 122.820 -0.334 0.000 2.599 76 A HA 0.782 5.103 4.320 0.001 0.000 0.294 76 A C -1.402 176.062 177.584 -0.199 0.000 1.055 76 A CA -0.340 51.445 52.037 -0.420 0.000 0.683 76 A CB 1.921 20.233 19.000 -1.147 0.000 1.278 76 A HN 0.522 nan 8.150 nan 0.000 0.412 77 V N 1.335 121.183 119.914 -0.110 0.000 2.531 77 V HA 0.652 4.772 4.120 0.001 0.000 0.301 77 V C 1.047 177.136 176.094 -0.008 0.000 1.034 77 V CA -0.114 62.164 62.300 -0.036 0.000 0.865 77 V CB 1.557 33.381 31.823 0.002 0.000 0.995 77 V HN 1.550 nan 8.190 nan 0.000 0.424 78 G N 2.522 111.329 108.800 0.012 0.000 2.647 78 G HA2 0.220 4.180 3.960 0.001 0.000 0.234 78 G HA3 0.220 4.180 3.960 0.001 0.000 0.234 78 G C 1.197 176.117 174.900 0.034 0.000 1.252 78 G CA 0.406 45.525 45.100 0.032 0.000 0.846 78 G HN 1.032 nan 8.290 nan 0.000 0.589 79 S N 0.001 115.721 115.700 0.033 0.000 2.402 79 S HA -0.102 4.368 4.470 0.001 0.000 0.229 79 S C 1.202 175.818 174.600 0.027 0.000 1.021 79 S CA 1.425 59.641 58.200 0.026 0.000 0.974 79 S CB 0.055 63.269 63.200 0.024 0.000 0.800 79 S HN 0.475 nan 8.310 nan 0.000 0.484 80 D N 1.306 121.728 120.400 0.036 0.000 2.325 80 D HA 0.264 4.904 4.640 0.001 0.000 0.234 80 D C -0.459 175.872 176.300 0.051 0.000 1.122 80 D CA 0.121 54.145 54.000 0.039 0.000 0.850 80 D CB 0.388 41.215 40.800 0.045 0.000 0.921 80 D HN 0.255 nan 8.370 nan 0.000 0.513 81 V N 1.075 121.023 119.914 0.055 0.000 2.417 81 V HA 0.387 4.508 4.120 0.001 0.000 0.291 81 V C 0.480 176.594 176.094 0.032 0.000 1.024 81 V CA -0.531 61.818 62.300 0.082 0.000 0.861 81 V CB 1.780 33.680 31.823 0.128 0.000 0.985 81 V HN 0.104 nan 8.190 nan 0.000 0.436 82 T N 0.292 114.838 114.554 -0.013 0.000 2.930 82 T HA 0.639 4.989 4.350 0.001 0.000 0.290 82 T C 0.202 174.822 174.700 -0.133 0.000 1.052 82 T CA -0.419 61.586 62.100 -0.157 0.000 1.017 82 T CB 1.688 70.356 68.868 -0.332 0.000 1.137 82 T HN 0.802 nan 8.240 nan 0.000 0.511 83 H N -1.526 117.584 119.070 0.067 0.000 4.059 83 H HA -0.124 4.432 4.556 0.000 0.000 0.139 83 H C -0.535 174.850 175.328 0.095 0.000 0.756 83 H CA 0.882 56.971 56.048 0.068 0.000 1.257 83 H CB -1.517 28.276 29.762 0.051 0.000 0.775 83 H HN 0.606 nan 8.280 nan 0.000 0.511 84 I N 2.513 123.204 120.570 0.201 0.000 2.474 84 I HA 0.352 4.522 4.170 0.001 0.000 0.294 84 I C 0.174 176.363 176.117 0.119 0.000 1.005 84 I CA -0.409 61.004 61.300 0.188 0.000 1.113 84 I CB 1.898 40.054 38.000 0.259 0.000 1.289 84 I HN 0.070 nan 8.210 nan 0.000 0.436 85 Q N 4.120 123.982 119.800 0.104 0.000 2.399 85 Q HA 0.707 5.047 4.340 0.001 0.000 0.276 85 Q C -0.936 175.102 176.000 0.064 0.000 1.098 85 Q CA -1.081 54.764 55.803 0.071 0.000 0.827 85 Q CB 1.322 30.097 28.738 0.062 0.000 1.386 85 Q HN 0.291 nan 8.270 nan 0.000 0.443 86 V N 1.568 121.507 119.914 0.041 0.000 2.788 86 V HA 0.239 4.359 4.120 0.001 0.000 0.307 86 V C 1.462 177.590 176.094 0.056 0.000 1.069 86 V CA 1.980 64.300 62.300 0.034 0.000 1.173 86 V CB 0.113 31.946 31.823 0.017 0.000 0.925 86 V HN 1.068 nan 8.190 nan 0.000 0.492 87 G N 3.270 112.112 108.800 0.069 0.000 2.241 87 G HA2 -0.201 3.760 3.960 0.001 0.000 0.244 87 G HA3 -0.201 3.760 3.960 0.001 0.000 0.244 87 G C 0.048 175.013 174.900 0.108 0.000 0.998 87 G CA 0.129 45.281 45.100 0.087 0.000 0.621 87 G HN 0.679 nan 8.290 nan 0.000 0.519 88 D N 0.738 121.203 120.400 0.110 0.000 2.361 88 D HA 0.483 5.124 4.640 0.001 0.000 0.239 88 D C 1.032 177.436 176.300 0.173 0.000 1.200 88 D CA 0.240 54.319 54.000 0.132 0.000 0.915 88 D CB 0.356 41.242 40.800 0.144 0.000 1.170 88 D HN 0.445 nan 8.370 nan 0.000 0.444 89 R N 0.151 120.762 120.500 0.185 0.000 2.494 89 R HA 0.565 4.905 4.340 0.001 0.000 0.305 89 R C -0.632 175.843 176.300 0.292 0.000 0.959 89 R CA -0.935 55.320 56.100 0.259 0.000 0.864 89 R CB 1.681 32.060 30.300 0.133 0.000 1.159 89 R HN 0.241 nan 8.270 nan 0.000 0.446 90 V N 0.022 120.150 119.914 0.356 0.000 3.001 90 V HA 0.741 4.862 4.120 0.001 0.000 0.314 90 V C -1.235 175.132 176.094 0.455 0.000 1.099 90 V CA -1.068 61.477 62.300 0.409 0.000 0.989 90 V CB 1.694 33.727 31.823 0.349 0.000 1.040 90 V HN 0.786 nan 8.190 nan 0.000 0.434 91 Y N 0.261 120.670 120.300 0.181 0.000 2.553 91 Y HA 1.064 5.614 4.550 0.001 0.000 0.347 91 Y C -0.148 175.656 175.900 -0.160 0.000 1.019 91 Y CA -0.734 57.352 58.100 -0.023 0.000 1.032 91 Y CB 1.707 40.219 38.460 0.088 0.000 1.284 91 Y HN 1.383 nan 8.280 nan 0.000 0.466 92 G N 0.118 108.485 108.800 -0.723 0.000 2.428 92 G HA2 0.647 4.608 3.960 0.001 0.000 0.304 92 G HA3 0.647 4.608 3.960 0.001 0.000 0.304 92 G C -2.104 172.463 174.900 -0.556 0.000 1.303 92 G CA -0.517 44.153 45.100 -0.717 0.000 0.825 92 G HN 1.189 nan 8.290 nan 0.000 0.484 93 A N -0.365 122.358 122.820 -0.161 0.000 2.317 93 A HA 0.808 5.128 4.320 0.001 0.000 0.327 93 A C -0.117 177.749 177.584 0.470 0.000 1.178 93 A CA -0.446 51.709 52.037 0.197 0.000 0.817 93 A CB 1.542 20.669 19.000 0.212 0.000 1.189 93 A HN 0.473 nan 8.150 nan 0.000 0.489 94 Q N 0.579 120.615 119.800 0.392 0.000 2.180 94 Q HA 0.254 4.594 4.340 0.001 0.000 0.241 94 Q C -0.879 175.156 176.000 0.059 0.000 0.970 94 Q CA -0.662 55.225 55.803 0.140 0.000 0.919 94 Q CB 1.501 30.262 28.738 0.039 0.000 1.222 94 Q HN 0.741 nan 8.270 nan 0.000 0.482 95 N N 1.834 120.359 118.700 -0.292 0.000 2.817 95 N HA 0.033 4.773 4.740 0.001 0.000 0.234 95 N C -0.954 174.498 175.510 -0.098 0.000 1.066 95 N CA -0.153 52.753 53.050 -0.239 0.000 0.926 95 N CB 0.389 38.500 38.487 -0.627 0.000 1.176 95 N HN 0.451 nan 8.380 nan 0.000 0.506 96 E N 2.705 122.893 120.200 -0.019 0.000 2.398 96 E HA 0.050 4.400 4.350 0.001 0.000 0.263 96 E C 0.180 176.775 176.600 -0.008 0.000 1.046 96 E CA -0.325 56.060 56.400 -0.025 0.000 0.908 96 E CB 0.445 30.114 29.700 -0.052 0.000 0.963 96 E HN 0.315 nan 8.360 nan 0.000 0.431 97 M N 0.559 120.164 119.600 0.008 0.000 2.461 97 M HA -0.186 4.295 4.480 0.001 0.000 0.203 97 M C -0.509 175.789 176.300 -0.003 0.000 0.428 97 M CA 0.425 55.732 55.300 0.012 0.000 0.509 97 M CB -2.446 30.162 32.600 0.013 0.000 1.851 97 M HN 0.783 nan 8.290 nan 0.000 0.834 98 C N 1.115 120.400 119.300 -0.024 0.000 2.303 98 C HA 0.439 4.899 4.460 0.001 0.000 0.341 98 C C -0.625 174.348 174.990 -0.029 0.000 1.244 98 C CA -1.283 57.720 59.018 -0.025 0.000 1.765 98 C CB 0.528 28.235 27.740 -0.054 0.000 2.379 98 C HN 0.407 nan 8.230 nan 0.000 0.530 99 P HA -0.125 nan 4.420 nan 0.000 0.220 99 P C 1.341 178.632 177.300 -0.015 0.000 1.148 99 P CA 1.305 64.400 63.100 -0.007 0.000 0.803 99 P CB -0.111 31.592 31.700 0.005 0.000 0.782 100 R N -0.467 120.022 120.500 -0.018 0.000 2.297 100 R HA 0.083 4.423 4.340 0.001 0.000 0.197 100 R C 0.089 176.360 176.300 -0.048 0.000 0.943 100 R CA 1.143 57.229 56.100 -0.023 0.000 1.038 100 R CB -0.876 29.418 30.300 -0.010 0.000 0.957 100 R HN 0.156 nan 8.270 nan 0.000 0.484 101 T N -1.730 112.780 114.554 -0.072 0.000 3.658 101 T HA 0.313 4.664 4.350 0.001 0.000 0.245 101 T C -2.138 172.465 174.700 -0.161 0.000 1.292 101 T CA -1.472 60.562 62.100 -0.110 0.000 1.598 101 T CB 1.544 70.340 68.868 -0.120 0.000 0.861 101 T HN -0.083 nan 8.240 nan 0.000 0.663 102 P HA -0.031 nan 4.420 nan 0.000 0.226 102 P C 0.674 177.609 177.300 -0.609 0.000 1.153 102 P CA 0.984 63.946 63.100 -0.230 0.000 0.777 102 P CB 0.085 31.721 31.700 -0.106 0.000 0.794 103 D N -1.399 118.637 120.400 -0.607 0.000 2.328 103 D HA -0.017 4.623 4.640 0.001 0.000 0.221 103 D C 0.354 176.336 176.300 -0.529 0.000 1.072 103 D CA 0.099 53.550 54.000 -0.915 0.000 0.850 103 D CB -0.439 40.130 40.800 -0.385 0.000 0.922 103 D HN 0.213 nan 8.370 nan 0.000 0.516 104 Q N 0.087 119.686 119.800 -0.334 0.000 2.341 104 Q HA 0.644 4.984 4.340 0.001 0.000 0.268 104 Q C -0.388 175.621 176.000 0.016 0.000 1.013 104 Q CA -0.710 55.027 55.803 -0.109 0.000 0.798 104 Q CB 2.287 30.930 28.738 -0.159 0.000 1.253 104 Q HN 0.287 nan 8.270 nan 0.000 0.457 105 G N 0.005 108.898 108.800 0.155 0.000 2.579 105 G HA2 0.433 4.393 3.960 0.001 0.000 0.292 105 G HA3 0.433 4.393 3.960 0.001 0.000 0.292 105 G C -0.148 174.788 174.900 0.060 0.000 1.484 105 G CA -0.161 45.004 45.100 0.109 0.000 0.813 105 G HN 0.497 nan 8.290 nan 0.000 0.515 106 A N 0.204 123.010 122.820 -0.025 0.000 2.015 106 A HA 0.232 4.552 4.320 0.001 0.000 0.219 106 A C 0.826 178.571 177.584 0.270 0.000 1.163 106 A CA 1.057 53.141 52.037 0.078 0.000 0.646 106 A CB -0.358 18.709 19.000 0.112 0.000 0.806 106 A HN 0.564 nan 8.150 nan 0.000 0.448 107 F N 1.546 121.576 119.950 0.133 0.000 2.669 107 F HA 0.373 4.900 4.527 0.001 0.000 0.353 107 F C 0.852 176.767 175.800 0.192 0.000 1.192 107 F CA -0.631 57.478 58.000 0.183 0.000 1.317 107 F CB -1.004 38.105 39.000 0.181 0.000 1.652 107 F HN 0.181 nan 8.300 nan 0.000 0.608 108 S N -1.289 114.614 115.700 0.337 0.000 2.579 108 S HA 0.390 4.860 4.470 0.001 0.000 0.272 108 S C 0.434 175.148 174.600 0.189 0.000 1.141 108 S CA -0.886 57.349 58.200 0.057 0.000 0.843 108 S CB 2.043 65.146 63.200 -0.161 0.000 1.122 108 S HN 0.300 nan 8.310 nan 0.000 0.468 109 Q N -0.394 119.449 119.800 0.071 0.000 2.167 109 Q HA 0.059 4.399 4.340 0.001 0.000 0.202 109 Q C -0.719 175.030 176.000 -0.418 0.000 0.970 109 Q CA 1.337 57.089 55.803 -0.085 0.000 0.855 109 Q CB -0.161 28.515 28.738 -0.103 0.000 0.911 109 Q HN 0.702 nan 8.270 nan 0.000 0.438 110 Y N -0.880 119.420 120.300 0.000 0.000 2.373 110 Y HA 0.442 4.992 4.550 0.000 0.000 0.336 110 Y C -0.032 175.748 175.900 -0.200 0.000 0.979 110 Y CA -0.628 57.430 58.100 -0.069 0.000 1.080 110 Y CB 2.399 40.927 38.460 0.113 0.000 1.190 110 Y HN -0.261 nan 8.280 nan 0.000 0.446 111 T N 2.067 116.450 114.554 -0.286 0.000 2.804 111 T HA 0.787 5.138 4.350 0.001 0.000 0.290 111 T C -1.484 172.830 174.700 -0.644 0.000 1.099 111 T CA -0.621 61.241 62.100 -0.396 0.000 1.011 111 T CB 1.134 69.745 68.868 -0.428 0.000 1.291 111 T HN 0.504 nan 8.240 nan 0.000 0.523 112 V N 0.549 120.144 119.914 -0.532 0.000 2.769 112 V HA 0.811 4.931 4.120 0.001 0.000 0.312 112 V C 0.524 176.335 176.094 -0.471 0.000 1.061 112 V CA -0.804 61.203 62.300 -0.487 0.000 0.931 112 V CB 0.873 32.514 31.823 -0.303 0.000 1.010 112 V HN 1.118 nan 8.190 nan 0.000 0.433 113 T N 0.989 115.226 114.554 -0.528 0.000 2.906 113 T HA 0.311 4.662 4.350 0.001 0.000 0.320 113 T C -0.055 174.459 174.700 -0.310 0.000 1.088 113 T CA -0.170 61.555 62.100 -0.625 0.000 1.120 113 T CB 0.509 68.424 68.868 -1.590 0.000 1.000 113 T HN 0.992 nan 8.240 nan 0.000 0.550 114 R N 0.853 121.305 120.500 -0.079 0.000 2.513 114 R HA 0.528 4.869 4.340 0.001 0.000 0.301 114 R C 1.061 177.552 176.300 0.319 0.000 0.968 114 R CA 0.386 56.530 56.100 0.073 0.000 0.872 114 R CB 0.920 31.188 30.300 -0.054 0.000 1.177 114 R HN 1.193 nan 8.270 nan 0.000 0.444 115 G N 3.100 112.061 108.800 0.268 0.000 2.611 115 G HA2 -0.326 3.634 3.960 0.001 0.000 0.301 115 G HA3 -0.326 3.634 3.960 0.001 0.000 0.301 115 G C -0.073 175.019 174.900 0.319 0.000 1.233 115 G CA -0.003 45.262 45.100 0.274 0.000 0.993 115 G HN 0.548 nan 8.290 nan 0.000 0.553 116 R N -0.060 120.497 120.500 0.095 0.000 2.748 116 R HA 0.378 4.719 4.340 0.001 0.000 0.395 116 R C 0.236 176.279 176.300 -0.428 0.000 1.128 116 R CA 0.021 55.971 56.100 -0.251 0.000 1.042 116 R CB 0.618 30.774 30.300 -0.240 0.000 1.392 116 R HN 0.342 nan 8.270 nan 0.000 0.582 117 V N 3.071 122.824 119.914 -0.268 0.000 2.224 117 V HA 0.263 4.383 4.120 0.001 0.000 0.289 117 V C -0.257 175.221 176.094 -1.026 0.000 1.518 117 V CA -0.273 61.500 62.300 -0.877 0.000 1.533 117 V CB -0.684 30.809 31.823 -0.551 0.000 1.460 117 V HN 0.302 nan 8.190 nan 0.000 0.515 118 W N 0.613 121.213 121.300 -1.167 0.000 3.064 118 W HA 0.800 5.461 4.660 0.000 0.000 0.328 118 W C -1.136 175.174 176.519 -0.349 0.000 1.210 118 W CA -0.726 56.095 57.345 -0.873 0.000 1.178 118 W CB 1.075 30.310 29.460 -0.376 0.000 1.416 118 W HN 0.230 nan 8.180 nan 0.000 0.568 119 A N 1.110 123.889 122.820 -0.068 0.000 2.602 119 A HA 0.705 5.025 4.320 0.001 0.000 0.290 119 A C -1.313 176.438 177.584 0.278 0.000 1.114 119 A CA -1.188 50.865 52.037 0.027 0.000 0.683 119 A CB 1.788 20.833 19.000 0.075 0.000 1.281 119 A HN 0.462 nan 8.150 nan 0.000 0.416 120 K N 0.765 121.347 120.400 0.304 0.000 2.298 120 K HA 0.439 4.759 4.320 0.001 0.000 0.280 120 K C -0.606 176.247 176.600 0.422 0.000 1.032 120 K CA 0.024 56.518 56.287 0.346 0.000 0.958 120 K CB 0.720 33.356 32.500 0.227 0.000 0.978 120 K HN 0.518 nan 8.250 nan 0.000 0.472 121 I N 5.249 126.034 120.570 0.359 0.000 2.598 121 I HA 0.022 4.192 4.170 0.001 0.000 0.284 121 I C -1.863 174.284 176.117 0.051 0.000 1.140 121 I CA -1.909 59.474 61.300 0.138 0.000 1.420 121 I CB 0.144 38.128 38.000 -0.026 0.000 1.387 121 I HN 0.308 nan 8.210 nan 0.000 0.553 122 P HA 0.010 nan 4.420 nan 0.000 0.269 122 P C 0.587 177.859 177.300 -0.047 0.000 1.209 122 P CA -0.303 62.793 63.100 -0.007 0.000 0.776 122 P CB 0.650 32.338 31.700 -0.020 0.000 0.876 123 K N 2.160 122.541 120.400 -0.030 0.000 2.107 123 K HA -0.198 4.122 4.320 0.001 0.000 0.211 123 K C 1.827 178.387 176.600 -0.065 0.000 1.049 123 K CA 2.155 58.415 56.287 -0.044 0.000 0.927 123 K CB -0.848 31.638 32.500 -0.024 0.000 0.714 123 K HN 0.701 nan 8.250 nan 0.000 0.452 124 G N -0.056 108.710 108.800 -0.056 0.000 2.920 124 G HA2 0.076 4.036 3.960 0.001 0.000 0.208 124 G HA3 0.076 4.036 3.960 0.001 0.000 0.208 124 G C -0.011 174.845 174.900 -0.073 0.000 1.159 124 G CA -0.079 44.987 45.100 -0.056 0.000 0.784 124 G HN 0.023 nan 8.290 nan 0.000 0.535 125 L N 1.091 122.249 121.223 -0.109 0.000 2.331 125 L HA 0.485 4.825 4.340 0.001 0.000 0.275 125 L C 0.769 177.519 176.870 -0.200 0.000 1.022 125 L CA -0.627 54.130 54.840 -0.139 0.000 0.812 125 L CB 2.001 43.956 42.059 -0.174 0.000 1.257 125 L HN 0.090 nan 8.230 nan 0.000 0.435 126 S N 0.573 116.161 115.700 -0.188 0.000 2.645 126 S HA 0.333 4.803 4.470 0.001 0.000 0.266 126 S C 1.143 175.611 174.600 -0.221 0.000 1.258 126 S CA -0.341 57.729 58.200 -0.217 0.000 0.990 126 S CB 0.299 63.431 63.200 -0.114 0.000 0.967 126 S HN 0.358 nan 8.310 nan 0.000 0.556 127 F N 1.086 121.004 119.950 -0.055 0.000 2.126 127 F HA -0.037 4.490 4.527 0.000 0.000 0.299 127 F C 2.471 178.233 175.800 -0.064 0.000 1.096 127 F CA 1.856 59.832 58.000 -0.039 0.000 1.255 127 F CB -1.029 37.964 39.000 -0.012 0.000 0.997 127 F HN 0.601 nan 8.300 nan 0.000 0.479 128 E N 0.036 120.296 120.200 0.101 0.000 2.051 128 E HA -0.224 4.126 4.350 0.001 0.000 0.192 128 E C 2.152 178.684 176.600 -0.114 0.000 0.991 128 E CA 1.526 57.927 56.400 0.000 0.000 0.799 128 E CB -0.472 29.212 29.700 -0.027 0.000 0.748 128 E HN 0.480 nan 8.360 nan 0.000 0.449 129 Q N 0.050 119.716 119.800 -0.223 0.000 2.084 129 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 129 Q C 2.277 178.123 176.000 -0.257 0.000 0.978 129 Q CA 1.448 56.991 55.803 -0.433 0.000 0.844 129 Q CB -0.260 28.218 28.738 -0.432 0.000 0.898 129 Q HN 0.320 nan 8.270 nan 0.000 0.426 130 A N 1.168 123.857 122.820 -0.217 0.000 1.898 130 A HA -0.066 4.254 4.320 0.001 0.000 0.216 130 A C 2.317 179.881 177.584 -0.034 0.000 1.181 130 A CA 1.432 53.284 52.037 -0.309 0.000 0.620 130 A CB -0.762 17.985 19.000 -0.421 0.000 0.819 130 A HN 0.390 nan 8.150 nan 0.000 0.442 131 A N -0.287 122.566 122.820 0.056 0.000 2.070 131 A HA 0.182 4.502 4.320 0.001 0.000 0.220 131 A C 2.271 179.931 177.584 0.128 0.000 1.159 131 A CA 1.791 53.903 52.037 0.126 0.000 0.656 131 A CB -0.699 18.376 19.000 0.125 0.000 0.800 131 A HN 1.044 nan 8.150 nan 0.000 0.453 132 A N -0.921 121.947 122.820 0.080 0.000 2.167 132 A HA 0.275 4.595 4.320 0.001 0.000 0.214 132 A C 1.965 179.639 177.584 0.150 0.000 1.151 132 A CA 0.820 52.922 52.037 0.108 0.000 0.735 132 A CB -0.317 18.730 19.000 0.079 0.000 0.802 132 A HN 0.468 nan 8.150 nan 0.000 0.467 133 L N -0.850 120.478 121.223 0.176 0.000 2.145 133 L HA 0.007 4.347 4.340 0.001 0.000 0.201 133 L C -0.594 176.426 176.870 0.250 0.000 1.075 133 L CA 0.637 55.602 54.840 0.208 0.000 0.773 133 L CB -1.112 41.087 42.059 0.235 0.000 0.936 133 L HN 0.155 nan 8.230 nan 0.000 0.451 134 P HA -0.211 nan 4.420 nan 0.000 0.214 134 P C 1.501 179.014 177.300 0.354 0.000 1.163 134 P CA 1.954 65.351 63.100 0.495 0.000 0.889 134 P CB -0.001 31.916 31.700 0.362 0.000 0.790 135 A N -0.416 122.541 122.820 0.228 0.000 1.933 135 A HA -0.105 4.215 4.320 0.001 0.000 0.218 135 A C 2.479 180.135 177.584 0.119 0.000 1.175 135 A CA 2.133 54.271 52.037 0.168 0.000 0.628 135 A CB -1.894 17.185 19.000 0.131 0.000 0.814 135 A HN 0.286 nan 8.150 nan 0.000 0.444 136 G N 0.126 108.981 108.800 0.092 0.000 2.433 136 G HA2 -0.210 3.751 3.960 0.001 0.000 0.216 136 G HA3 -0.210 3.751 3.960 0.001 0.000 0.216 136 G C 1.535 176.437 174.900 0.004 0.000 1.186 136 G CA 1.159 46.280 45.100 0.036 0.000 0.779 136 G HN 0.469 nan 8.290 nan 0.000 0.543 137 I N 1.026 121.578 120.570 -0.031 0.000 2.127 137 I HA -0.212 3.958 4.170 0.001 0.000 0.241 137 I C 3.088 179.138 176.117 -0.112 0.000 1.075 137 I CA 1.459 62.649 61.300 -0.184 0.000 1.334 137 I CB -0.221 37.456 38.000 -0.537 0.000 1.040 137 I HN 0.113 nan 8.210 nan 0.000 0.405 138 S N -0.035 115.702 115.700 0.062 0.000 2.368 138 S HA -0.168 4.302 4.470 0.001 0.000 0.225 138 S C 2.029 176.690 174.600 0.101 0.000 1.030 138 S CA 1.965 60.258 58.200 0.155 0.000 0.999 138 S CB -0.455 62.886 63.200 0.235 0.000 0.844 138 S HN 0.481 nan 8.310 nan 0.000 0.459 139 T N 2.396 116.999 114.554 0.081 0.000 2.821 139 T HA 0.044 4.394 4.350 0.001 0.000 0.267 139 T C 2.177 176.905 174.700 0.046 0.000 1.046 139 T CA 1.076 63.218 62.100 0.070 0.000 1.139 139 T CB -0.492 68.415 68.868 0.064 0.000 0.871 139 T HN 0.448 nan 8.240 nan 0.000 0.454 140 A N 1.630 124.461 122.820 0.018 0.000 1.883 140 A HA 0.084 4.404 4.320 0.001 0.000 0.217 140 A C 2.644 180.240 177.584 0.020 0.000 1.186 140 A CA 1.896 53.932 52.037 -0.003 0.000 0.624 140 A CB -1.422 17.560 19.000 -0.030 0.000 0.822 140 A HN 0.507 nan 8.150 nan 0.000 0.444 141 G N -0.383 108.443 108.800 0.044 0.000 2.402 141 G HA2 -0.128 3.832 3.960 0.001 0.000 0.216 141 G HA3 -0.128 3.832 3.960 0.001 0.000 0.216 141 G C 1.557 176.626 174.900 0.281 0.000 1.162 141 G CA 0.986 46.183 45.100 0.162 0.000 0.777 141 G HN 0.428 nan 8.290 nan 0.000 0.539 142 L N 0.591 121.936 121.223 0.204 0.000 2.093 142 L HA -0.027 4.313 4.340 0.001 0.000 0.208 142 L C 3.395 180.257 176.870 -0.013 0.000 1.085 142 L CA 0.915 55.808 54.840 0.088 0.000 0.755 142 L CB -0.377 41.729 42.059 0.079 0.000 0.904 142 L HN 0.309 nan 8.230 nan 0.000 0.435 143 A N -0.177 122.644 122.820 0.001 0.000 1.877 143 A HA -0.223 4.097 4.320 0.001 0.000 0.216 143 A C 2.305 179.827 177.584 -0.103 0.000 1.186 143 A CA 1.676 53.683 52.037 -0.051 0.000 0.620 143 A CB -0.448 18.527 19.000 -0.042 0.000 0.822 143 A HN 0.318 nan 8.150 nan 0.000 0.443 144 M N -0.865 118.690 119.600 -0.076 0.000 2.159 144 M HA -0.146 4.334 4.480 0.001 0.000 0.263 144 M C 2.273 178.500 176.300 -0.121 0.000 1.063 144 M CA 1.937 57.167 55.300 -0.116 0.000 1.110 144 M CB -0.261 32.305 32.600 -0.056 0.000 1.374 144 M HN 0.507 nan 8.290 nan 0.000 0.411 145 K N 0.650 120.987 120.400 -0.106 0.000 2.032 145 K HA -0.201 4.119 4.320 0.001 0.000 0.209 145 K C 1.763 178.244 176.600 -0.197 0.000 1.048 145 K CA 1.420 57.571 56.287 -0.227 0.000 0.927 145 K CB -0.044 32.104 32.500 -0.587 0.000 0.712 145 K HN 0.123 nan 8.250 nan 0.000 0.441 146 L N 1.033 122.145 121.223 -0.185 0.000 2.083 146 L HA -0.145 4.195 4.340 0.001 0.000 0.209 146 L C 2.137 178.871 176.870 -0.226 0.000 1.083 146 L CA 1.158 55.905 54.840 -0.154 0.000 0.752 146 L CB -0.652 41.328 42.059 -0.132 0.000 0.899 146 L HN 0.254 nan 8.230 nan 0.000 0.433 147 L N -0.284 120.760 121.223 -0.298 0.000 2.376 147 L HA 0.118 4.459 4.340 0.001 0.000 0.219 147 L C 1.479 178.285 176.870 -0.107 0.000 1.133 147 L CA 1.351 55.972 54.840 -0.365 0.000 0.816 147 L CB -1.427 40.448 42.059 -0.307 0.000 0.933 147 L HN 0.519 nan 8.230 nan 0.000 0.449 148 G N -0.255 108.491 108.800 -0.089 0.000 2.203 148 G HA2 -0.219 3.742 3.960 0.001 0.000 0.231 148 G HA3 -0.219 3.742 3.960 0.001 0.000 0.231 148 G C -0.043 174.826 174.900 -0.051 0.000 1.058 148 G CA 0.047 45.142 45.100 -0.007 0.000 0.781 148 G HN 0.260 nan 8.290 nan 0.000 0.496 149 L N 0.865 122.002 121.223 -0.144 0.000 2.346 149 L HA 0.570 4.910 4.340 0.001 0.000 0.276 149 L C -1.757 175.100 176.870 -0.022 0.000 1.006 149 L CA -2.420 52.309 54.840 -0.185 0.000 0.817 149 L CB 2.144 43.888 42.059 -0.524 0.000 1.272 149 L HN -0.025 nan 8.230 nan 0.000 0.421 150 P HA 0.190 nan 4.420 nan 0.000 0.275 150 P C -0.518 176.842 177.300 0.100 0.000 1.227 150 P CA -0.353 62.808 63.100 0.101 0.000 0.781 150 P CB 0.909 32.676 31.700 0.113 0.000 0.906 151 L N 3.925 125.202 121.223 0.090 0.000 2.467 151 L HA 0.180 4.521 4.340 0.001 0.000 0.270 151 L C -1.697 175.191 176.870 0.030 0.000 1.205 151 L CA -1.760 53.110 54.840 0.050 0.000 0.828 151 L CB -0.744 41.323 42.059 0.012 0.000 1.101 151 L HN 0.260 nan 8.230 nan 0.000 0.479 152 P HA -0.022 nan 4.420 nan 0.000 0.268 152 P C -0.601 176.686 177.300 -0.022 0.000 1.208 152 P CA -0.141 62.956 63.100 -0.005 0.000 0.777 152 P CB 0.616 32.303 31.700 -0.022 0.000 0.875 153 S N 2.691 118.378 115.700 -0.022 0.000 2.489 153 S HA 0.269 4.739 4.470 0.001 0.000 0.277 153 S C -1.265 173.313 174.600 -0.037 0.000 1.230 153 S CA -1.396 56.787 58.200 -0.029 0.000 1.053 153 S CB -0.028 63.156 63.200 -0.026 0.000 0.955 153 S HN 0.303 nan 8.310 nan 0.000 0.488 154 P HA 0.024 nan 4.420 nan 0.000 0.233 154 P C 0.745 178.022 177.300 -0.038 0.000 1.167 154 P CA 0.501 63.574 63.100 -0.046 0.000 0.770 154 P CB 0.026 31.694 31.700 -0.053 0.000 0.837 155 S N -1.940 113.739 115.700 -0.035 0.000 2.523 155 S HA 0.444 4.914 4.470 0.001 0.000 0.217 155 S C 1.091 175.673 174.600 -0.030 0.000 0.996 155 S CA -0.301 57.880 58.200 -0.031 0.000 0.921 155 S CB -0.390 62.793 63.200 -0.029 0.000 0.829 155 S HN 0.169 nan 8.310 nan 0.000 0.495 156 A N 1.752 124.553 122.820 -0.032 0.000 2.466 156 A HA 0.361 4.682 4.320 0.001 0.000 0.238 156 A C 0.641 178.205 177.584 -0.034 0.000 1.074 156 A CA -0.020 51.996 52.037 -0.034 0.000 0.774 156 A CB 0.069 19.047 19.000 -0.037 0.000 1.015 156 A HN 0.258 nan 8.150 nan 0.000 0.498 157 D N -0.593 119.786 120.400 -0.035 0.000 2.367 157 D HA 0.101 4.741 4.640 0.001 0.000 0.207 157 D C 0.588 176.866 176.300 -0.036 0.000 1.034 157 D CA 0.997 54.977 54.000 -0.033 0.000 0.861 157 D CB 0.335 41.117 40.800 -0.031 0.000 0.943 157 D HN 0.760 nan 8.370 nan 0.000 0.515 158 Q N -0.545 119.230 119.800 -0.043 0.000 2.575 158 Q HA 0.516 4.856 4.340 0.001 0.000 0.290 158 Q C -3.108 172.857 176.000 -0.058 0.000 0.963 158 Q CA -1.615 54.160 55.803 -0.047 0.000 0.783 158 Q CB 1.243 29.951 28.738 -0.049 0.000 1.467 158 Q HN -0.303 nan 8.270 nan 0.000 0.402 159 P HA 0.225 nan 4.420 nan 0.000 0.269 159 P C -2.473 174.756 177.300 -0.119 0.000 1.215 159 P CA -0.669 62.385 63.100 -0.078 0.000 0.780 159 P CB -0.371 31.288 31.700 -0.069 0.000 0.898 160 P HA 0.021 nan 4.420 nan 0.000 0.265 160 P C -0.384 176.685 177.300 -0.385 0.000 1.187 160 P CA 0.471 63.418 63.100 -0.255 0.000 0.766 160 P CB 0.151 31.689 31.700 -0.269 0.000 0.820 161 T N 2.778 117.089 114.554 -0.405 0.000 2.889 161 T HA 0.299 4.649 4.350 0.001 0.000 0.291 161 T C -0.370 173.974 174.700 -0.594 0.000 0.995 161 T CA -0.129 61.757 62.100 -0.356 0.000 1.092 161 T CB 0.027 68.773 68.868 -0.203 0.000 0.954 161 T HN 0.391 nan 8.240 nan 0.000 0.506 162 H N 0.388 119.389 119.070 -0.115 0.000 3.177 162 H HA 0.257 4.813 4.556 0.000 0.000 0.314 162 H C 1.174 176.452 175.328 -0.084 0.000 1.059 162 H CA -0.538 55.447 56.048 -0.105 0.000 1.515 162 H CB 1.084 30.761 29.762 -0.141 0.000 1.672 162 H HN 0.640 nan 8.280 nan 0.000 0.514 163 S N 2.313 118.027 115.700 0.023 0.000 2.383 163 S HA -0.144 4.326 4.470 0.001 0.000 0.229 163 S C 0.866 175.471 174.600 0.008 0.000 1.030 163 S CA 0.856 59.059 58.200 0.005 0.000 1.002 163 S CB 0.062 63.261 63.200 -0.003 0.000 0.829 163 S HN 0.401 nan 8.310 nan 0.000 0.467 164 K N 2.873 123.285 120.400 0.020 0.000 2.263 164 K HA 0.447 4.767 4.320 0.001 0.000 0.272 164 K C -2.890 173.683 176.600 -0.045 0.000 1.033 164 K CA -2.561 53.726 56.287 0.001 0.000 0.884 164 K CB 1.098 33.607 32.500 0.016 0.000 1.107 164 K HN 0.135 nan 8.250 nan 0.000 0.460 165 P HA -0.071 nan 4.420 nan 0.000 0.265 165 P C -1.029 176.033 177.300 -0.397 0.000 1.187 165 P CA -0.247 62.647 63.100 -0.344 0.000 0.766 165 P CB 0.581 31.911 31.700 -0.617 0.000 0.820 166 V N 4.726 124.413 119.914 -0.378 0.000 2.313 166 V HA 0.215 4.335 4.120 0.001 0.000 0.278 166 V C -0.348 175.704 176.094 -0.070 0.000 1.017 166 V CA -0.462 61.745 62.300 -0.154 0.000 0.823 166 V CB -0.395 31.366 31.823 -0.102 0.000 1.010 166 V HN 0.396 nan 8.190 nan 0.000 0.443 167 Y N 3.224 123.638 120.300 0.190 0.000 2.307 167 Y HA 0.587 5.137 4.550 0.000 0.000 0.324 167 Y C 0.328 176.356 175.900 0.213 0.000 1.238 167 Y CA -0.566 57.651 58.100 0.194 0.000 1.280 167 Y CB 1.559 40.139 38.460 0.200 0.000 1.248 167 Y HN 0.331 nan 8.280 nan 0.000 0.508 168 V N 4.430 124.544 119.914 0.333 0.000 2.524 168 V HA 0.202 4.322 4.120 0.001 0.000 0.297 168 V C -0.881 175.328 176.094 0.192 0.000 1.035 168 V CA -0.918 61.509 62.300 0.212 0.000 0.867 168 V CB 1.628 33.468 31.823 0.028 0.000 1.004 168 V HN 0.522 nan 8.190 nan 0.000 0.426 169 L N 6.791 128.127 121.223 0.189 0.000 2.367 169 L HA 0.505 4.846 4.340 0.001 0.000 0.275 169 L C -0.247 176.714 176.870 0.151 0.000 1.129 169 L CA 0.595 55.542 54.840 0.178 0.000 0.839 169 L CB 1.266 43.453 42.059 0.213 0.000 1.133 169 L HN 0.453 nan 8.230 nan 0.000 0.453 170 V N 6.695 126.687 119.914 0.131 0.000 2.304 170 V HA 0.190 4.311 4.120 0.001 0.000 0.278 170 V C -0.726 175.434 176.094 0.111 0.000 1.018 170 V CA -0.578 61.781 62.300 0.098 0.000 0.814 170 V CB 0.573 32.427 31.823 0.051 0.000 1.021 170 V HN 0.658 nan 8.190 nan 0.000 0.440 171 Y N 3.687 124.006 120.300 0.033 0.000 2.436 171 Y HA 0.536 5.087 4.550 0.001 0.000 0.343 171 Y C 0.970 176.841 175.900 -0.047 0.000 1.008 171 Y CA 0.954 59.049 58.100 -0.009 0.000 1.241 171 Y CB 0.925 39.399 38.460 0.023 0.000 1.153 171 Y HN 0.888 nan 8.280 nan 0.000 0.521 172 G N 3.859 112.475 108.800 -0.308 0.000 2.600 172 G HA2 -0.197 3.763 3.960 0.001 0.000 0.251 172 G HA3 -0.197 3.763 3.960 0.001 0.000 0.251 172 G C 0.823 175.680 174.900 -0.071 0.000 1.142 172 G CA -0.009 44.987 45.100 -0.173 0.000 0.994 172 G HN 1.204 nan 8.290 nan 0.000 0.511 173 G N 0.043 108.801 108.800 -0.070 0.000 2.559 173 G HA2 0.191 4.151 3.960 0.001 0.000 0.216 173 G HA3 0.191 4.151 3.960 0.001 0.000 0.216 173 G C 1.705 176.618 174.900 0.023 0.000 1.126 173 G CA 1.678 46.770 45.100 -0.014 0.000 0.778 173 G HN 1.749 nan 8.290 nan 0.000 0.543 174 S N -0.033 115.683 115.700 0.026 0.000 2.540 174 S HA 0.131 4.601 4.470 0.001 0.000 0.218 174 S C 1.091 175.784 174.600 0.156 0.000 0.977 174 S CA 0.417 58.672 58.200 0.091 0.000 0.918 174 S CB -0.289 62.929 63.200 0.031 0.000 0.806 174 S HN 0.358 nan 8.310 nan 0.000 0.496 175 T N -0.323 114.256 114.554 0.040 0.000 2.932 175 T HA 0.587 4.937 4.350 0.001 0.000 0.312 175 T C 1.557 176.110 174.700 -0.244 0.000 1.071 175 T CA -0.078 61.996 62.100 -0.043 0.000 1.128 175 T CB 1.033 69.877 68.868 -0.040 0.000 0.984 175 T HN 0.305 nan 8.240 nan 0.000 0.549 176 A N 2.803 125.302 122.820 -0.536 0.000 1.927 176 A HA -0.117 4.203 4.320 0.001 0.000 0.220 176 A C 2.513 179.897 177.584 -0.334 0.000 1.185 176 A CA 2.369 53.876 52.037 -0.883 0.000 0.639 176 A CB -1.756 16.964 19.000 -0.468 0.000 0.820 176 A HN 0.947 nan 8.150 nan 0.000 0.451 177 T N 0.078 114.533 114.554 -0.164 0.000 2.737 177 T HA 0.032 4.382 4.350 0.001 0.000 0.265 177 T C 2.236 176.906 174.700 -0.049 0.000 1.038 177 T CA 1.582 63.641 62.100 -0.068 0.000 1.144 177 T CB -0.469 68.384 68.868 -0.025 0.000 0.866 177 T HN 0.623 nan 8.240 nan 0.000 0.434 178 A N 1.838 124.632 122.820 -0.043 0.000 1.969 178 A HA -0.111 4.209 4.320 0.001 0.000 0.218 178 A C 2.619 180.208 177.584 0.009 0.000 1.169 178 A CA 2.143 54.174 52.037 -0.009 0.000 0.635 178 A CB -1.215 17.786 19.000 0.002 0.000 0.810 178 A HN 0.641 nan 8.150 nan 0.000 0.445 179 T N -2.855 111.718 114.554 0.031 0.000 2.821 179 T HA -0.079 4.271 4.350 0.001 0.000 0.267 179 T C 1.681 176.407 174.700 0.044 0.000 1.046 179 T CA 1.489 63.639 62.100 0.083 0.000 1.139 179 T CB -0.621 68.396 68.868 0.249 0.000 0.871 179 T HN 0.054 nan 8.240 nan 0.000 0.454 180 V N 1.887 121.814 119.914 0.021 0.000 2.323 180 V HA -0.127 3.993 4.120 0.001 0.000 0.244 180 V C 3.072 179.157 176.094 -0.015 0.000 1.041 180 V CA 2.193 64.492 62.300 -0.002 0.000 1.025 180 V CB -1.168 30.649 31.823 -0.011 0.000 0.656 180 V HN 0.563 nan 8.190 nan 0.000 0.451 181 T N 0.054 114.599 114.554 -0.015 0.000 2.684 181 T HA -0.241 4.110 4.350 0.001 0.000 0.267 181 T C 1.903 176.597 174.700 -0.010 0.000 1.036 181 T CA 1.875 63.964 62.100 -0.019 0.000 1.148 181 T CB -0.315 68.541 68.868 -0.021 0.000 0.863 181 T HN 0.294 nan 8.240 nan 0.000 0.436 182 M N 0.873 120.474 119.600 0.001 0.000 2.149 182 M HA -0.159 4.322 4.480 0.001 0.000 0.261 182 M C 2.559 178.866 176.300 0.011 0.000 1.064 182 M CA 1.602 56.909 55.300 0.011 0.000 1.102 182 M CB -0.512 32.097 32.600 0.016 0.000 1.369 182 M HN 0.329 nan 8.290 nan 0.000 0.408 183 Q N -0.119 119.682 119.800 0.001 0.000 2.084 183 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 183 Q C 2.040 178.036 176.000 -0.006 0.000 0.978 183 Q CA 1.468 57.267 55.803 -0.007 0.000 0.844 183 Q CB -0.209 28.518 28.738 -0.019 0.000 0.898 183 Q HN 0.567 nan 8.270 nan 0.000 0.426 184 M N 0.209 119.803 119.600 -0.011 0.000 2.117 184 M HA -0.167 4.313 4.480 0.001 0.000 0.262 184 M C 2.113 178.430 176.300 0.028 0.000 1.065 184 M CA 1.321 56.616 55.300 -0.008 0.000 1.114 184 M CB -0.226 32.357 32.600 -0.027 0.000 1.361 184 M HN 0.219 nan 8.290 nan 0.000 0.408 185 L N -0.661 120.583 121.223 0.035 0.000 2.017 185 L HA -0.224 4.116 4.340 0.001 0.000 0.208 185 L C 2.774 179.724 176.870 0.132 0.000 1.073 185 L CA 1.107 56.006 54.840 0.098 0.000 0.745 185 L CB -0.713 41.378 42.059 0.053 0.000 0.894 185 L HN 0.255 nan 8.230 nan 0.000 0.432 186 R N 0.292 120.832 120.500 0.065 0.000 2.091 186 R HA -0.136 4.204 4.340 0.001 0.000 0.238 186 R C 2.222 178.530 176.300 0.014 0.000 1.136 186 R CA 1.393 57.514 56.100 0.036 0.000 0.959 186 R CB -0.878 29.432 30.300 0.017 0.000 0.856 186 R HN 0.395 nan 8.270 nan 0.000 0.437 187 L N 0.216 121.447 121.223 0.013 0.000 2.191 187 L HA -0.102 4.238 4.340 0.001 0.000 0.212 187 L C 1.866 178.736 176.870 -0.001 0.000 1.103 187 L CA 1.036 55.873 54.840 -0.004 0.000 0.769 187 L CB -0.200 41.852 42.059 -0.012 0.000 0.908 187 L HN 0.031 nan 8.230 nan 0.000 0.438 188 S N -0.644 115.081 115.700 0.041 0.000 2.575 188 S HA 0.207 4.677 4.470 0.001 0.000 0.215 188 S C 1.324 175.843 174.600 -0.136 0.000 0.966 188 S CA 0.633 58.862 58.200 0.049 0.000 0.911 188 S CB 0.499 63.839 63.200 0.234 0.000 0.780 188 S HN 0.634 nan 8.310 nan 0.000 0.514 189 G N 0.592 109.305 108.800 -0.146 0.000 2.131 189 G HA2 -0.245 3.715 3.960 0.001 0.000 0.223 189 G HA3 -0.245 3.715 3.960 0.001 0.000 0.223 189 G C -0.171 174.500 174.900 -0.381 0.000 0.990 189 G CA -0.295 44.684 45.100 -0.202 0.000 0.671 189 G HN 0.499 nan 8.290 nan 0.000 0.521 190 Y N -0.993 119.296 120.300 -0.019 0.000 2.432 190 Y HA 0.724 5.274 4.550 0.000 0.000 0.322 190 Y C 0.792 176.658 175.900 -0.057 0.000 1.246 190 Y CA -1.105 56.934 58.100 -0.101 0.000 1.268 190 Y CB 1.080 39.450 38.460 -0.150 0.000 1.276 190 Y HN 0.035 nan 8.280 nan 0.000 0.499 191 I N 3.701 124.327 120.570 0.093 0.000 2.405 191 I HA 0.324 4.495 4.170 0.001 0.000 0.280 191 I C -2.626 173.620 176.117 0.216 0.000 1.027 191 I CA -2.148 59.214 61.300 0.104 0.000 1.161 191 I CB 1.095 39.102 38.000 0.012 0.000 1.300 191 I HN 0.273 nan 8.210 nan 0.000 0.463 192 P HA 0.304 nan 4.420 nan 0.000 0.276 192 P C -0.697 176.694 177.300 0.151 0.000 1.230 192 P CA -0.238 62.949 63.100 0.144 0.000 0.776 192 P CB 0.542 32.290 31.700 0.079 0.000 0.888 193 I N -0.353 120.306 120.570 0.148 0.000 2.433 193 I HA 0.875 5.046 4.170 0.001 0.000 0.292 193 I C -0.784 175.380 176.117 0.079 0.000 1.001 193 I CA -1.229 60.117 61.300 0.076 0.000 1.119 193 I CB 2.308 40.323 38.000 0.024 0.000 1.289 193 I HN 0.207 nan 8.210 nan 0.000 0.438 194 A N 4.059 126.897 122.820 0.029 0.000 2.380 194 A HA 0.879 5.200 4.320 0.001 0.000 0.315 194 A C -0.167 177.431 177.584 0.023 0.000 1.101 194 A CA -0.554 51.492 52.037 0.016 0.000 0.771 194 A CB 1.687 20.673 19.000 -0.024 0.000 1.287 194 A HN 0.855 nan 8.150 nan 0.000 0.436 195 T N -1.489 113.031 114.554 -0.056 0.000 2.841 195 T HA 0.704 5.055 4.350 0.001 0.000 0.283 195 T C -0.116 174.514 174.700 -0.116 0.000 1.000 195 T CA -0.063 61.975 62.100 -0.103 0.000 0.977 195 T CB 0.275 68.906 68.868 -0.396 0.000 0.979 195 T HN 2.130 nan 8.240 nan 0.000 0.446 196 C N 0.294 119.659 119.300 0.107 0.000 3.263 196 C HA 0.804 5.264 4.460 0.001 0.000 0.369 196 C C -0.218 174.915 174.990 0.240 0.000 1.634 196 C CA -0.960 58.142 59.018 0.141 0.000 1.143 196 C CB 0.817 28.593 27.740 0.060 0.000 1.910 196 C HN 0.908 nan 8.230 nan 0.000 0.425 197 S N 1.946 117.687 115.700 0.069 0.000 2.586 197 S HA 0.439 4.909 4.470 0.001 0.000 0.274 197 S C -1.840 172.477 174.600 -0.471 0.000 1.281 197 S CA -0.316 57.816 58.200 -0.113 0.000 1.035 197 S CB 1.330 64.509 63.200 -0.034 0.000 0.962 197 S HN 0.711 nan 8.310 nan 0.000 0.512 198 P HA -0.202 nan 4.420 nan 0.000 0.217 198 P C 1.018 177.794 177.300 -0.873 0.000 1.151 198 P CA 1.421 63.599 63.100 -1.538 0.000 0.849 198 P CB -0.119 31.093 31.700 -0.812 0.000 0.787 199 H N -2.760 116.062 119.070 -0.413 0.000 2.521 199 H HA 0.065 4.621 4.556 0.000 0.000 0.286 199 H C 1.089 176.339 175.328 -0.129 0.000 1.034 199 H CA 0.980 56.897 56.048 -0.218 0.000 1.278 199 H CB -0.987 28.694 29.762 -0.134 0.000 1.386 199 H HN 0.063 nan 8.280 nan 0.000 0.567 200 N N 0.008 118.393 118.700 -0.524 0.000 2.268 200 N HA 0.006 4.746 4.740 0.001 0.000 0.204 200 N C 0.288 175.822 175.510 0.040 0.000 1.124 200 N CA -0.054 52.855 53.050 -0.235 0.000 0.838 200 N CB -0.040 38.275 38.487 -0.286 0.000 0.994 200 N HN 0.255 nan 8.380 nan 0.000 0.489 201 F N 1.767 121.644 119.950 -0.120 0.000 2.134 201 F HA -0.103 4.425 4.527 0.000 0.000 0.299 201 F C 1.967 177.717 175.800 -0.084 0.000 1.097 201 F CA 0.746 58.685 58.000 -0.102 0.000 1.264 201 F CB -0.585 38.358 39.000 -0.094 0.000 1.001 201 F HN 0.021 nan 8.300 nan 0.000 0.479 202 D N 0.064 120.549 120.400 0.142 0.000 2.117 202 D HA -0.163 4.478 4.640 0.001 0.000 0.197 202 D C 2.632 178.944 176.300 0.019 0.000 0.987 202 D CA 0.615 54.649 54.000 0.055 0.000 0.829 202 D CB -0.616 40.205 40.800 0.035 0.000 0.961 202 D HN 0.169 nan 8.370 nan 0.000 0.460 203 L N 0.604 121.834 121.223 0.012 0.000 1.989 203 L HA -0.250 4.090 4.340 0.001 0.000 0.211 203 L C 2.251 179.120 176.870 -0.003 0.000 1.071 203 L CA 1.790 56.621 54.840 -0.014 0.000 0.749 203 L CB -0.424 41.616 42.059 -0.032 0.000 0.890 203 L HN -0.006 nan 8.230 nan 0.000 0.431 204 A N 0.113 122.943 122.820 0.016 0.000 1.873 204 A HA -0.290 4.030 4.320 0.001 0.000 0.218 204 A C 2.213 179.785 177.584 -0.019 0.000 1.193 204 A CA 2.267 54.307 52.037 0.005 0.000 0.629 204 A CB -0.547 18.455 19.000 0.003 0.000 0.826 204 A HN 0.489 nan 8.150 nan 0.000 0.447 205 K N 0.263 120.642 120.400 -0.035 0.000 2.103 205 K HA -0.139 4.181 4.320 0.001 0.000 0.207 205 K C 2.339 178.923 176.600 -0.026 0.000 1.048 205 K CA 1.633 57.893 56.287 -0.044 0.000 0.930 205 K CB -0.287 32.179 32.500 -0.058 0.000 0.716 205 K HN 0.675 nan 8.250 nan 0.000 0.444 206 S N 0.744 116.431 115.700 -0.022 0.000 2.442 206 S HA -0.075 4.396 4.470 0.001 0.000 0.236 206 S C 1.607 176.192 174.600 -0.025 0.000 1.007 206 S CA 0.719 58.904 58.200 -0.025 0.000 0.965 206 S CB -0.015 63.166 63.200 -0.031 0.000 0.773 206 S HN 0.148 nan 8.310 nan 0.000 0.504 207 R N 0.561 121.051 120.500 -0.017 0.000 2.393 207 R HA 0.364 4.704 4.340 0.001 0.000 0.244 207 R C 1.451 177.749 176.300 -0.004 0.000 0.920 207 R CA 0.596 56.690 56.100 -0.010 0.000 1.076 207 R CB 0.021 30.326 30.300 0.007 0.000 1.119 207 R HN 0.629 nan 8.270 nan 0.000 0.524 208 G N -0.290 108.507 108.800 -0.005 0.000 2.318 208 G HA2 -0.187 3.773 3.960 0.001 0.000 0.172 208 G HA3 -0.187 3.773 3.960 0.001 0.000 0.172 208 G C 0.158 175.065 174.900 0.012 0.000 1.002 208 G CA -0.198 44.904 45.100 0.005 0.000 0.697 208 G HN 0.421 nan 8.290 nan 0.000 0.483 209 A N 0.606 123.424 122.820 -0.004 0.000 2.491 209 A HA 0.609 4.930 4.320 0.001 0.000 0.261 209 A C 1.198 178.770 177.584 -0.021 0.000 1.101 209 A CA 1.277 53.306 52.037 -0.013 0.000 0.772 209 A CB 0.592 19.557 19.000 -0.058 0.000 1.043 209 A HN 0.463 nan 8.150 nan 0.000 0.501 210 E N 1.343 121.559 120.200 0.027 0.000 2.077 210 E HA -0.079 4.272 4.350 0.001 0.000 0.193 210 E C 0.383 176.964 176.600 -0.032 0.000 0.989 210 E CA 1.835 58.269 56.400 0.056 0.000 0.800 210 E CB 0.159 29.978 29.700 0.199 0.000 0.746 210 E HN 0.714 nan 8.360 nan 0.000 0.452 211 E N -1.381 118.732 120.200 -0.146 0.000 2.390 211 E HA 0.496 4.846 4.350 0.001 0.000 0.277 211 E C -1.977 174.284 176.600 -0.566 0.000 0.939 211 E CA -0.828 55.323 56.400 -0.415 0.000 0.769 211 E CB 1.990 31.377 29.700 -0.523 0.000 1.251 211 E HN -0.056 nan 8.360 nan 0.000 0.450 212 V N 3.707 123.092 119.914 -0.881 0.000 2.876 212 V HA 0.787 4.907 4.120 0.001 0.000 0.312 212 V C -1.581 173.764 176.094 -1.248 0.000 1.085 212 V CA -0.482 61.324 62.300 -0.824 0.000 0.945 212 V CB 1.145 32.566 31.823 -0.670 0.000 1.017 212 V HN 0.607 nan 8.190 nan 0.000 0.428 213 F N 2.796 122.485 119.950 -0.435 0.000 2.588 213 F HA 0.465 4.993 4.527 0.001 0.000 0.310 213 F C -0.123 175.710 175.800 0.056 0.000 1.082 213 F CA -0.817 57.048 58.000 -0.224 0.000 0.929 213 F CB 1.576 40.508 39.000 -0.114 0.000 1.254 213 F HN 0.479 nan 8.300 nan 0.000 0.455 214 D N 1.657 122.312 120.400 0.426 0.000 2.358 214 D HA -0.033 4.608 4.640 0.001 0.000 0.258 214 D C 0.809 177.129 176.300 0.033 0.000 1.223 214 D CA 0.023 54.162 54.000 0.233 0.000 0.886 214 D CB 0.491 41.375 40.800 0.140 0.000 1.120 214 D HN 0.554 nan 8.370 nan 0.000 0.482 215 Y N 3.292 123.551 120.300 -0.068 0.000 2.483 215 Y HA -0.049 4.502 4.550 0.000 0.000 0.291 215 Y C 1.642 177.509 175.900 -0.055 0.000 1.143 215 Y CA 0.761 58.730 58.100 -0.217 0.000 1.289 215 Y CB -0.286 37.903 38.460 -0.452 0.000 0.983 215 Y HN 0.279 nan 8.280 nan 0.000 0.556 216 R N 1.291 121.486 120.500 -0.508 0.000 2.276 216 R HA 0.258 4.598 4.340 0.001 0.000 0.203 216 R C 0.943 177.205 176.300 -0.063 0.000 1.017 216 R CA 0.365 56.298 56.100 -0.279 0.000 1.010 216 R CB -0.142 29.927 30.300 -0.385 0.000 0.900 216 R HN 0.341 nan 8.270 nan 0.000 0.469 217 A N 3.416 126.227 122.820 -0.014 0.000 2.520 217 A HA 0.172 4.492 4.320 0.001 0.000 0.245 217 A C -2.033 175.599 177.584 0.079 0.000 1.072 217 A CA -1.166 50.900 52.037 0.049 0.000 0.761 217 A CB -0.190 18.868 19.000 0.095 0.000 1.004 217 A HN -0.013 nan 8.150 nan 0.000 0.499 218 P HA 0.106 nan 4.420 nan 0.000 0.271 218 P C -0.318 177.023 177.300 0.069 0.000 1.216 218 P CA -0.062 63.078 63.100 0.066 0.000 0.771 218 P CB 0.281 32.008 31.700 0.045 0.000 0.864 219 N N 0.176 118.921 118.700 0.075 0.000 2.725 219 N HA -0.190 4.550 4.740 0.001 0.000 0.249 219 N C 0.741 176.278 175.510 0.046 0.000 1.103 219 N CA 0.446 53.526 53.050 0.049 0.000 0.707 219 N CB -1.663 36.837 38.487 0.022 0.000 1.043 219 N HN 0.371 nan 8.380 nan 0.000 0.553 220 L N -0.023 121.274 121.223 0.124 0.000 2.131 220 L HA -0.003 4.337 4.340 0.001 0.000 0.210 220 L C 2.211 179.100 176.870 0.031 0.000 1.092 220 L CA 2.433 57.348 54.840 0.125 0.000 0.759 220 L CB -0.529 41.703 42.059 0.288 0.000 0.903 220 L HN 0.344 nan 8.230 nan 0.000 0.435 221 A N -0.971 121.797 122.820 -0.086 0.000 2.019 221 A HA -0.254 4.066 4.320 0.001 0.000 0.219 221 A C 2.232 179.667 177.584 -0.249 0.000 1.164 221 A CA 1.577 53.337 52.037 -0.462 0.000 0.644 221 A CB -0.597 17.970 19.000 -0.721 0.000 0.805 221 A HN 0.609 nan 8.150 nan 0.000 0.449 222 Q N -0.129 119.585 119.800 -0.143 0.000 2.079 222 Q HA -0.112 4.228 4.340 0.001 0.000 0.200 222 Q C 1.927 177.873 176.000 -0.091 0.000 0.974 222 Q CA 2.557 58.302 55.803 -0.097 0.000 0.840 222 Q CB -0.937 27.768 28.738 -0.055 0.000 0.898 222 Q HN 0.535 nan 8.270 nan 0.000 0.430 223 T N 1.431 115.923 114.554 -0.103 0.000 2.652 223 T HA -0.145 4.205 4.350 0.001 0.000 0.267 223 T C 1.634 176.232 174.700 -0.169 0.000 1.039 223 T CA 1.595 63.622 62.100 -0.122 0.000 1.153 223 T CB -0.266 68.493 68.868 -0.183 0.000 0.863 223 T HN 0.222 nan 8.240 nan 0.000 0.428 224 I N 1.353 121.755 120.570 -0.279 0.000 2.208 224 I HA -0.125 4.045 4.170 0.001 0.000 0.245 224 I C 2.534 178.587 176.117 -0.107 0.000 1.097 224 I CA 1.372 62.523 61.300 -0.248 0.000 1.363 224 I CB -1.181 36.688 38.000 -0.219 0.000 1.051 224 I HN 0.254 nan 8.210 nan 0.000 0.413 225 R N 0.160 120.592 120.500 -0.114 0.000 2.083 225 R HA -0.159 4.181 4.340 0.001 0.000 0.237 225 R C 2.309 178.588 176.300 -0.035 0.000 1.137 225 R CA 2.143 58.198 56.100 -0.075 0.000 0.951 225 R CB -0.649 29.600 30.300 -0.085 0.000 0.851 225 R HN 0.369 nan 8.270 nan 0.000 0.434 226 T N 0.239 114.777 114.554 -0.026 0.000 2.708 226 T HA -0.204 4.146 4.350 0.001 0.000 0.266 226 T C 1.504 176.211 174.700 0.012 0.000 1.037 226 T CA 1.371 63.468 62.100 -0.005 0.000 1.146 226 T CB -0.457 68.410 68.868 -0.000 0.000 0.865 226 T HN 0.325 nan 8.240 nan 0.000 0.435 227 Y N 2.299 122.536 120.300 -0.105 0.000 2.151 227 Y HA -0.225 4.325 4.550 0.001 0.000 0.284 227 Y C 2.431 178.204 175.900 -0.211 0.000 1.166 227 Y CA 1.715 59.738 58.100 -0.129 0.000 1.163 227 Y CB -0.258 38.124 38.460 -0.131 0.000 0.974 227 Y HN 0.291 nan 8.280 nan 0.000 0.511 228 T N -2.575 111.973 114.554 -0.009 0.000 3.206 228 T HA 0.137 4.488 4.350 0.001 0.000 0.253 228 T C 0.250 174.974 174.700 0.040 0.000 1.042 228 T CA -0.048 62.019 62.100 -0.055 0.000 0.931 228 T CB -0.114 68.744 68.868 -0.016 0.000 1.029 228 T HN 0.179 nan 8.240 nan 0.000 0.564 229 K N 1.436 121.840 120.400 0.007 0.000 3.035 229 K HA -0.245 4.076 4.320 0.001 0.000 0.262 229 K C 0.186 176.795 176.600 0.014 0.000 1.024 229 K CA 0.923 57.219 56.287 0.015 0.000 0.748 229 K CB -3.083 29.439 32.500 0.037 0.000 1.247 229 K HN 0.808 nan 8.250 nan 0.000 0.482 230 N N -0.558 118.142 118.700 0.001 0.000 2.693 230 N HA -0.237 4.503 4.740 0.001 0.000 0.249 230 N C 0.002 175.509 175.510 -0.005 0.000 1.119 230 N CA 1.146 54.190 53.050 -0.011 0.000 0.717 230 N CB -0.846 37.630 38.487 -0.017 0.000 1.071 230 N HN 0.682 nan 8.380 nan 0.000 0.555 231 N N 0.004 118.715 118.700 0.018 0.000 2.466 231 N HA 0.117 4.857 4.740 0.001 0.000 0.272 231 N C -0.832 174.703 175.510 0.042 0.000 1.455 231 N CA -0.422 52.641 53.050 0.021 0.000 0.875 231 N CB 0.321 38.831 38.487 0.037 0.000 1.372 231 N HN 0.097 nan 8.380 nan 0.000 0.492 232 L N 1.929 123.175 121.223 0.038 0.000 2.477 232 L HA 0.161 4.502 4.340 0.001 0.000 0.272 232 L C 1.001 177.850 176.870 -0.034 0.000 1.157 232 L CA 0.658 55.534 54.840 0.060 0.000 0.889 232 L CB 0.373 42.459 42.059 0.046 0.000 1.158 232 L HN 0.117 nan 8.230 nan 0.000 0.473 233 R N 3.987 124.426 120.500 -0.102 0.000 2.437 233 R HA 0.205 4.546 4.340 0.001 0.000 0.257 233 R C -0.912 175.059 176.300 -0.548 0.000 0.927 233 R CA -0.040 55.841 56.100 -0.365 0.000 1.078 233 R CB 0.424 30.411 30.300 -0.521 0.000 1.161 233 R HN 0.534 nan 8.270 nan 0.000 0.529 234 Y N 0.121 120.432 120.300 0.018 0.000 2.373 234 Y HA 0.578 5.128 4.550 0.001 0.000 0.336 234 Y C -0.380 175.521 175.900 0.001 0.000 0.979 234 Y CA -1.119 56.972 58.100 -0.014 0.000 1.080 234 Y CB 2.212 40.631 38.460 -0.068 0.000 1.190 234 Y HN -0.102 nan 8.280 nan 0.000 0.446 235 A N 3.582 126.479 122.820 0.129 0.000 2.359 235 A HA 0.736 5.057 4.320 0.001 0.000 0.303 235 A C -2.069 175.504 177.584 -0.018 0.000 1.066 235 A CA -0.622 51.477 52.037 0.102 0.000 0.730 235 A CB 1.231 20.326 19.000 0.159 0.000 1.211 235 A HN 0.661 nan 8.150 nan 0.000 0.439 236 L N 2.271 123.488 121.223 -0.009 0.000 2.298 236 L HA 0.577 4.917 4.340 0.001 0.000 0.284 236 L C -0.955 175.895 176.870 -0.032 0.000 1.013 236 L CA -0.155 54.634 54.840 -0.085 0.000 0.824 236 L CB 1.421 43.449 42.059 -0.052 0.000 1.221 236 L HN 0.636 nan 8.230 nan 0.000 0.418 237 D N 3.903 124.218 120.400 -0.142 0.000 2.412 237 D HA 0.201 4.841 4.640 0.001 0.000 0.224 237 D C 0.149 176.466 176.300 0.028 0.000 1.093 237 D CA -0.239 53.755 54.000 -0.011 0.000 0.850 237 D CB 1.074 41.822 40.800 -0.085 0.000 1.046 237 D HN 0.695 nan 8.370 nan 0.000 0.507 238 C N 4.397 123.752 119.300 0.091 0.000 2.697 238 C HA 0.206 4.667 4.460 0.001 0.000 0.267 238 C C 1.946 176.979 174.990 0.072 0.000 1.278 238 C CA -0.416 58.639 59.018 0.062 0.000 1.708 238 C CB -0.822 26.941 27.740 0.037 0.000 1.860 238 C HN 0.647 nan 8.230 nan 0.000 0.589 239 I N -0.343 120.295 120.570 0.115 0.000 3.136 239 I HA 0.049 4.219 4.170 0.001 0.000 0.262 239 I C 1.050 177.209 176.117 0.070 0.000 1.132 239 I CA 1.094 62.449 61.300 0.092 0.000 1.450 239 I CB -1.641 36.449 38.000 0.150 0.000 1.315 239 I HN 0.158 nan 8.210 nan 0.000 0.460 240 T N 4.174 118.776 114.554 0.080 0.000 3.501 240 T HA -0.128 4.222 4.350 0.001 0.000 0.411 240 T C -0.095 174.648 174.700 0.072 0.000 0.766 240 T CA 0.590 62.753 62.100 0.106 0.000 2.129 240 T CB -1.988 66.957 68.868 0.130 0.000 1.711 240 T HN 0.650 nan 8.240 nan 0.000 0.712 241 N N -1.563 117.159 118.700 0.038 0.000 3.038 241 N HA 0.660 5.401 4.740 0.001 0.000 0.307 241 N C 0.934 176.445 175.510 0.001 0.000 1.441 241 N CA -0.846 52.218 53.050 0.024 0.000 0.772 241 N CB 0.434 38.933 38.487 0.020 0.000 1.651 241 N HN -0.030 nan 8.380 nan 0.000 0.593 242 V N 0.135 120.049 119.914 -0.001 0.000 2.332 242 V HA -0.208 3.912 4.120 0.001 0.000 0.248 242 V C 1.766 177.838 176.094 -0.036 0.000 1.055 242 V CA 2.112 64.399 62.300 -0.021 0.000 1.038 242 V CB -0.987 30.831 31.823 -0.008 0.000 0.651 242 V HN 0.649 nan 8.190 nan 0.000 0.450 243 E N 0.800 120.992 120.200 -0.014 0.000 2.072 243 E HA -0.141 4.210 4.350 0.001 0.000 0.190 243 E C 2.430 178.978 176.600 -0.087 0.000 0.982 243 E CA 1.495 57.897 56.400 0.003 0.000 0.803 243 E CB -0.485 29.257 29.700 0.069 0.000 0.755 243 E HN 0.752 nan 8.360 nan 0.000 0.453 244 S N -0.143 115.415 115.700 -0.237 0.000 2.368 244 S HA -0.166 4.305 4.470 0.001 0.000 0.225 244 S C 2.070 176.490 174.600 -0.299 0.000 1.030 244 S CA 1.569 59.355 58.200 -0.690 0.000 0.999 244 S CB -0.830 61.986 63.200 -0.639 0.000 0.844 244 S HN 0.172 nan 8.310 nan 0.000 0.459 245 T N 2.233 116.710 114.554 -0.129 0.000 2.708 245 T HA -0.083 4.267 4.350 0.001 0.000 0.266 245 T C 2.027 176.628 174.700 -0.164 0.000 1.037 245 T CA 1.943 63.937 62.100 -0.177 0.000 1.146 245 T CB -1.132 67.550 68.868 -0.310 0.000 0.865 245 T HN 0.563 nan 8.240 nan 0.000 0.435 246 T N 1.807 116.283 114.554 -0.131 0.000 2.684 246 T HA -0.095 4.256 4.350 0.001 0.000 0.267 246 T C 1.552 176.267 174.700 0.025 0.000 1.036 246 T CA 1.315 63.371 62.100 -0.073 0.000 1.148 246 T CB -0.592 68.254 68.868 -0.037 0.000 0.863 246 T HN 0.380 nan 8.240 nan 0.000 0.436 247 F N 1.058 120.961 119.950 -0.078 0.000 2.102 247 F HA -0.163 4.364 4.527 0.001 0.000 0.298 247 F C 2.515 178.331 175.800 0.026 0.000 1.105 247 F CA 0.907 58.896 58.000 -0.018 0.000 1.239 247 F CB -0.585 38.401 39.000 -0.023 0.000 0.991 247 F HN 0.168 nan 8.300 nan 0.000 0.474 248 C N 0.137 119.576 119.300 0.231 0.000 2.432 248 C HA -0.167 4.293 4.460 0.001 0.000 0.277 248 C C 2.642 177.665 174.990 0.055 0.000 1.249 248 C CA 0.993 60.149 59.018 0.230 0.000 1.725 248 C CB -1.669 26.327 27.740 0.426 0.000 2.028 248 C HN 0.529 nan 8.230 nan 0.000 0.477 249 F N 1.437 121.292 119.950 -0.160 0.000 2.161 249 F HA -0.200 4.327 4.527 0.000 0.000 0.300 249 F C 2.504 178.204 175.800 -0.166 0.000 1.089 249 F CA 1.474 59.365 58.000 -0.182 0.000 1.282 249 F CB -0.363 38.496 39.000 -0.234 0.000 1.010 249 F HN 0.204 nan 8.300 nan 0.000 0.485 250 A N -0.499 122.286 122.820 -0.059 0.000 1.968 250 A HA 0.072 4.393 4.320 0.001 0.000 0.217 250 A C 2.245 179.692 177.584 -0.229 0.000 1.169 250 A CA 1.271 53.215 52.037 -0.154 0.000 0.638 250 A CB -0.954 17.918 19.000 -0.214 0.000 0.812 250 A HN 0.287 nan 8.150 nan 0.000 0.446 251 A N -0.409 122.228 122.820 -0.306 0.000 2.016 251 A HA 0.273 4.594 4.320 0.001 0.000 0.217 251 A C 1.026 178.525 177.584 -0.141 0.000 1.162 251 A CA 0.034 51.909 52.037 -0.269 0.000 0.662 251 A CB -0.377 18.450 19.000 -0.288 0.000 0.812 251 A HN 0.446 nan 8.150 nan 0.000 0.450 252 I N 0.942 121.433 120.570 -0.132 0.000 2.752 252 I HA 0.130 4.300 4.170 0.001 0.000 0.287 252 I C 1.428 177.483 176.117 -0.104 0.000 1.188 252 I CA -0.152 61.075 61.300 -0.121 0.000 1.427 252 I CB 0.606 38.487 38.000 -0.197 0.000 1.365 252 I HN 0.300 nan 8.210 nan 0.000 0.585 253 G N 4.718 113.469 108.800 -0.081 0.000 2.699 253 G HA2 0.017 3.977 3.960 0.001 0.000 0.246 253 G HA3 0.017 3.977 3.960 0.001 0.000 0.246 253 G C 1.027 175.888 174.900 -0.065 0.000 1.219 253 G CA -0.494 44.570 45.100 -0.061 0.000 0.866 253 G HN 0.881 nan 8.290 nan 0.000 0.572 254 R N -0.467 120.004 120.500 -0.049 0.000 2.189 254 R HA 0.088 4.429 4.340 0.001 0.000 0.223 254 R C 1.994 178.267 176.300 -0.045 0.000 1.092 254 R CA 1.438 57.512 56.100 -0.044 0.000 0.989 254 R CB -0.164 30.117 30.300 -0.032 0.000 0.876 254 R HN 0.356 nan 8.270 nan 0.000 0.457 255 A N 0.839 123.630 122.820 -0.048 0.000 2.218 255 A HA 0.425 4.745 4.320 0.001 0.000 0.209 255 A C 0.925 178.469 177.584 -0.067 0.000 1.168 255 A CA 0.449 52.457 52.037 -0.049 0.000 0.804 255 A CB -0.040 18.935 19.000 -0.041 0.000 0.834 255 A HN 0.682 nan 8.150 nan 0.000 0.482 256 G N -2.998 105.751 108.800 -0.085 0.000 2.434 256 G HA2 0.496 4.457 3.960 0.001 0.000 0.671 256 G HA3 0.496 4.457 3.960 0.001 0.000 0.671 256 G C 0.002 174.814 174.900 -0.147 0.000 1.280 256 G CA -0.387 44.645 45.100 -0.114 0.000 0.975 256 G HN 1.949 nan 8.290 nan 0.000 0.510 257 G N -2.003 106.691 108.800 -0.176 0.000 2.341 257 G HA2 0.673 4.633 3.960 0.001 0.000 0.299 257 G HA3 0.673 4.633 3.960 0.001 0.000 0.299 257 G C -1.485 173.326 174.900 -0.147 0.000 1.274 257 G CA 0.258 45.238 45.100 -0.199 0.000 0.853 257 G HN 1.551 nan 8.290 nan 0.000 0.493 258 H N -0.985 117.957 119.070 -0.212 0.000 2.609 258 H HA 0.594 5.150 4.556 0.001 0.000 0.344 258 H C -1.748 173.567 175.328 -0.021 0.000 1.040 258 H CA -0.787 55.203 56.048 -0.096 0.000 1.216 258 H CB 1.857 31.588 29.762 -0.052 0.000 1.529 258 H HN 0.585 nan 8.280 nan 0.000 0.519 259 Y N 5.529 125.926 120.300 0.163 0.000 2.331 259 Y HA 0.489 5.039 4.550 0.001 0.000 0.338 259 Y C -1.675 174.303 175.900 0.130 0.000 0.992 259 Y CA -0.605 57.506 58.100 0.019 0.000 1.121 259 Y CB 0.970 39.326 38.460 -0.174 0.000 1.184 259 Y HN 0.370 nan 8.280 nan 0.000 0.469 260 V N 6.448 126.119 119.914 -0.404 0.000 2.531 260 V HA 0.489 4.609 4.120 0.001 0.000 0.301 260 V C -0.686 175.136 176.094 -0.453 0.000 1.034 260 V CA -0.538 61.600 62.300 -0.270 0.000 0.865 260 V CB 1.702 33.398 31.823 -0.212 0.000 0.995 260 V HN 0.899 nan 8.190 nan 0.000 0.424 261 S N 4.709 120.310 115.700 -0.165 0.000 2.664 261 S HA 0.677 5.148 4.470 0.001 0.000 0.304 261 S C 0.421 175.115 174.600 0.157 0.000 1.099 261 S CA -0.850 57.321 58.200 -0.048 0.000 1.003 261 S CB 1.833 65.139 63.200 0.177 0.000 1.092 261 S HN 0.461 nan 8.310 nan 0.000 0.525 262 L N 0.378 121.674 121.223 0.122 0.000 2.446 262 L HA 0.261 4.601 4.340 0.001 0.000 0.219 262 L C 0.210 177.189 176.870 0.181 0.000 1.116 262 L CA 0.313 55.242 54.840 0.148 0.000 0.844 262 L CB -0.426 41.687 42.059 0.089 0.000 0.970 262 L HN 0.581 nan 8.230 nan 0.000 0.457 263 N N -0.975 117.805 118.700 0.134 0.000 2.381 263 N HA 0.389 5.129 4.740 0.001 0.000 0.294 263 N C -2.631 172.719 175.510 -0.265 0.000 1.216 263 N CA -1.744 51.300 53.050 -0.010 0.000 0.803 263 N CB 1.284 39.763 38.487 -0.013 0.000 1.372 263 N HN -0.344 nan 8.380 nan 0.000 0.500 264 P HA 0.069 nan 4.420 nan 0.000 0.265 264 P C -0.682 176.304 177.300 -0.523 0.000 1.193 264 P CA 0.269 62.502 63.100 -1.444 0.000 0.765 264 P CB 0.022 30.918 31.700 -1.340 0.000 0.823 265 F N 3.039 122.838 119.950 -0.252 0.000 2.378 265 F HA 0.676 5.203 4.527 0.000 0.000 0.325 265 F C -1.764 173.995 175.800 -0.068 0.000 1.097 265 F CA -3.203 54.765 58.000 -0.052 0.000 1.079 265 F CB -1.176 37.898 39.000 0.124 0.000 1.240 265 F HN 0.189 nan 8.300 nan 0.000 0.519 266 P HA -0.015 nan 4.420 nan 0.000 0.268 266 P C -0.085 177.241 177.300 0.042 0.000 1.208 266 P CA -0.307 62.827 63.100 0.058 0.000 0.777 266 P CB 0.726 32.453 31.700 0.044 0.000 0.875 272 R N 0.212 120.725 120.500 0.021 0.000 2.275 272 R HA 0.192 4.532 4.340 0.001 0.000 0.199 272 R C 0.790 177.106 176.300 0.026 0.000 0.989 272 R CA 0.039 56.150 56.100 0.019 0.000 1.016 272 R CB -0.013 30.291 30.300 0.006 0.000 0.918 272 R HN 0.409 nan 8.270 nan 0.000 0.473 273 K N 1.569 121.998 120.400 0.049 0.000 2.484 273 K HA -0.050 4.270 4.320 0.001 0.000 0.280 273 K C 0.087 176.701 176.600 0.024 0.000 1.013 273 K CA 0.318 56.630 56.287 0.042 0.000 1.029 273 K CB 0.470 33.024 32.500 0.091 0.000 0.902 273 K HN -0.062 nan 8.250 nan 0.000 0.481 274 M N 4.706 124.291 119.600 -0.025 0.000 3.709 274 M HA 0.082 4.563 4.480 0.001 0.000 0.197 274 M C -1.143 175.105 176.300 -0.087 0.000 1.511 274 M CA -0.211 55.062 55.300 -0.045 0.000 1.688 274 M CB 0.091 32.661 32.600 -0.051 0.000 1.109 274 M HN 0.137 nan 8.290 nan 0.000 0.561 275 V N 0.352 120.217 119.914 -0.082 0.000 2.409 275 V HA 0.362 4.482 4.120 0.001 0.000 0.291 275 V C 0.425 176.464 176.094 -0.091 0.000 1.020 275 V CA -0.912 61.289 62.300 -0.166 0.000 0.848 275 V CB 1.786 33.364 31.823 -0.409 0.000 0.990 275 V HN 0.615 nan 8.190 nan 0.000 0.430 276 T N 1.208 115.661 114.554 -0.169 0.000 2.910 276 T HA 0.638 4.989 4.350 0.001 0.000 0.293 276 T C 0.061 174.726 174.700 -0.059 0.000 1.015 276 T CA -0.389 61.588 62.100 -0.205 0.000 1.094 276 T CB 1.392 69.972 68.868 -0.480 0.000 0.968 276 T HN 0.867 nan 8.240 nan 0.000 0.521 277 T N -0.428 114.210 114.554 0.140 0.000 2.893 277 T HA 0.676 5.027 4.350 0.001 0.000 0.293 277 T C -1.619 173.354 174.700 0.454 0.000 1.027 277 T CA -0.890 61.479 62.100 0.450 0.000 0.988 277 T CB 2.135 71.412 68.868 0.681 0.000 1.043 277 T HN 0.692 nan 8.240 nan 0.000 0.461 278 D N 0.933 121.646 120.400 0.522 0.000 2.583 278 D HA 0.453 5.093 4.640 0.001 0.000 0.248 278 D C -0.997 175.554 176.300 0.419 0.000 1.209 278 D CA -0.460 53.721 54.000 0.302 0.000 0.848 278 D CB 2.236 43.147 40.800 0.185 0.000 1.431 278 D HN 0.798 nan 8.370 nan 0.000 0.436 279 W N -0.383 121.026 121.300 0.181 0.000 3.127 279 W HA 0.405 5.065 4.660 0.000 0.000 0.330 279 W C -0.574 175.984 176.519 0.065 0.000 1.187 279 W CA -1.047 56.380 57.345 0.137 0.000 1.198 279 W CB 0.274 29.830 29.460 0.160 0.000 1.408 279 W HN 0.264 nan 8.180 nan 0.000 0.529 280 T N 0.864 115.628 114.554 0.351 0.000 2.834 280 T HA 0.351 4.701 4.350 0.001 0.000 0.298 280 T C -0.640 174.281 174.700 0.369 0.000 0.966 280 T CA -0.440 61.792 62.100 0.220 0.000 1.141 280 T CB 1.312 70.281 68.868 0.170 0.000 0.905 280 T HN 0.415 nan 8.240 nan 0.000 0.535 281 L N 4.572 125.916 121.223 0.200 0.000 2.264 281 L HA 0.618 4.958 4.340 0.001 0.000 0.287 281 L C 1.151 178.165 176.870 0.241 0.000 1.039 281 L CA 0.055 55.078 54.840 0.305 0.000 0.829 281 L CB 0.558 42.701 42.059 0.139 0.000 1.211 281 L HN 0.864 nan 8.230 nan 0.000 0.427 282 G N 5.016 113.983 108.800 0.277 0.000 2.446 282 G HA2 -0.157 3.803 3.960 0.001 0.000 0.217 282 G HA3 -0.157 3.803 3.960 0.001 0.000 0.217 282 G C -0.901 174.126 174.900 0.212 0.000 1.168 282 G CA 0.874 46.101 45.100 0.211 0.000 0.771 282 G HN 0.667 nan 8.290 nan 0.000 0.551 283 P HA -0.066 nan 4.420 nan 0.000 0.221 283 P C 2.136 179.619 177.300 0.306 0.000 1.145 283 P CA 1.808 65.136 63.100 0.380 0.000 0.795 283 P CB -0.312 31.576 31.700 0.312 0.000 0.775 284 T N -3.153 111.513 114.554 0.186 0.000 2.977 284 T HA -0.152 4.198 4.350 0.001 0.000 0.271 284 T C 1.686 176.436 174.700 0.083 0.000 1.105 284 T CA 0.487 62.662 62.100 0.126 0.000 1.116 284 T CB -1.161 67.748 68.868 0.069 0.000 0.878 284 T HN -0.052 nan 8.240 nan 0.000 0.509 285 I N 0.696 121.258 120.570 -0.013 0.000 2.423 285 I HA -0.001 4.169 4.170 0.001 0.000 0.254 285 I C 1.340 177.306 176.117 -0.251 0.000 1.151 285 I CA 0.855 62.070 61.300 -0.142 0.000 1.421 285 I CB -0.460 37.370 38.000 -0.284 0.000 1.079 285 I HN 0.302 nan 8.210 nan 0.000 0.431 286 F N 0.498 120.512 119.950 0.107 0.000 2.789 286 F HA 0.308 4.836 4.527 0.000 0.000 0.300 286 F C 1.896 177.743 175.800 0.078 0.000 1.132 286 F CA 0.454 58.499 58.000 0.076 0.000 1.404 286 F CB -0.589 38.449 39.000 0.063 0.000 1.114 286 F HN 0.113 nan 8.300 nan 0.000 0.584 287 G N 1.047 109.971 108.800 0.207 0.000 2.249 287 G HA2 -0.314 3.646 3.960 0.001 0.000 0.273 287 G HA3 -0.314 3.646 3.960 0.001 0.000 0.273 287 G C 0.772 175.766 174.900 0.157 0.000 1.036 287 G CA 0.591 45.785 45.100 0.156 0.000 0.824 287 G HN 0.482 nan 8.290 nan 0.000 0.504 288 E N -0.758 119.560 120.200 0.197 0.000 2.340 288 E HA 0.395 4.745 4.350 0.001 0.000 0.198 288 E C 1.600 178.276 176.600 0.128 0.000 0.961 288 E CA 0.390 56.884 56.400 0.157 0.000 0.905 288 E CB 0.443 30.241 29.700 0.164 0.000 0.884 288 E HN 1.535 nan 8.360 nan 0.000 0.491 289 G N 1.316 110.202 108.800 0.143 0.000 2.757 289 G HA2 -0.176 3.785 3.960 0.001 0.000 0.638 289 G HA3 -0.176 3.785 3.960 0.001 0.000 0.638 289 G C -0.401 174.596 174.900 0.162 0.000 1.344 289 G CA -0.171 45.009 45.100 0.134 0.000 0.855 289 G HN 0.259 nan 8.290 nan 0.000 0.537 290 S N -2.619 113.187 115.700 0.177 0.000 2.638 290 S HA 0.794 5.265 4.470 0.001 0.000 0.274 290 S C 0.921 175.650 174.600 0.214 0.000 1.157 290 S CA 0.945 59.275 58.200 0.217 0.000 0.826 290 S CB 1.340 64.733 63.200 0.322 0.000 1.139 290 S HN 1.945 nan 8.310 nan 0.000 0.474 291 T N 0.600 115.287 114.554 0.222 0.000 3.122 291 T HA 0.257 4.607 4.350 0.001 0.000 0.250 291 T C 0.124 175.018 174.700 0.323 0.000 1.067 291 T CA -0.262 61.966 62.100 0.213 0.000 0.966 291 T CB -0.470 68.478 68.868 0.132 0.000 1.002 291 T HN 0.628 nan 8.240 nan 0.000 0.542 292 W N 2.003 123.395 121.300 0.152 0.000 2.975 292 W HA 0.722 5.382 4.660 0.001 0.000 0.342 292 W C -3.675 172.978 176.519 0.224 0.000 1.168 292 W CA -3.077 54.379 57.345 0.185 0.000 1.141 292 W CB 0.981 30.580 29.460 0.230 0.000 1.445 292 W HN -0.248 nan 8.180 nan 0.000 0.560 293 P HA 0.496 nan 4.420 nan 0.000 0.299 293 P C -0.534 176.783 177.300 0.028 0.000 1.323 293 P CA -0.075 62.948 63.100 -0.128 0.000 0.896 293 P CB 2.497 33.876 31.700 -0.537 0.000 1.081 294 A N 3.073 125.938 122.820 0.075 0.000 2.140 294 A HA 0.368 4.689 4.320 0.001 0.000 0.199 294 A C -1.686 175.962 177.584 0.107 0.000 1.416 294 A CA 0.112 52.240 52.037 0.152 0.000 1.018 294 A CB -1.252 17.835 19.000 0.144 0.000 1.117 294 A HN 0.498 nan 8.150 nan 0.000 0.480 295 P HA 0.590 nan 4.420 nan 0.000 0.297 295 P C -0.498 176.855 177.300 0.088 0.000 1.331 295 P CA -0.186 62.907 63.100 -0.011 0.000 0.803 295 P CB 0.900 32.583 31.700 -0.027 0.000 0.929 296 Y N 2.177 122.510 120.300 0.055 0.000 3.724 296 Y HA -0.302 4.249 4.550 0.000 0.000 0.385 296 Y C 1.632 177.573 175.900 0.068 0.000 1.290 296 Y CA 2.258 60.388 58.100 0.051 0.000 1.965 296 Y CB -2.179 36.300 38.460 0.032 0.000 0.866 296 Y HN 0.834 nan 8.280 nan 0.000 0.436 297 G N 0.166 109.100 108.800 0.224 0.000 2.559 297 G HA2 -0.330 3.631 3.960 0.001 0.000 0.282 297 G HA3 -0.330 3.631 3.960 0.001 0.000 0.282 297 G C 0.065 175.055 174.900 0.152 0.000 1.177 297 G CA 0.591 45.815 45.100 0.207 0.000 0.960 297 G HN 0.625 nan 8.290 nan 0.000 0.540 298 R N 1.024 121.609 120.500 0.143 0.000 2.626 298 R HA 0.543 4.884 4.340 0.001 0.000 0.274 298 R C -2.661 173.692 176.300 0.088 0.000 1.031 298 R CA -1.382 54.769 56.100 0.084 0.000 0.898 298 R CB 2.471 32.800 30.300 0.047 0.000 1.222 298 R HN 0.521 nan 8.270 nan 0.000 0.455 299 P HA 0.191 nan 4.420 nan 0.000 0.276 299 P C -0.250 177.084 177.300 0.057 0.000 1.252 299 P CA -0.229 62.903 63.100 0.053 0.000 0.802 299 P CB 0.844 32.558 31.700 0.023 0.000 1.035 300 G N 0.078 108.917 108.800 0.064 0.000 2.616 300 G HA2 0.493 4.453 3.960 0.001 0.000 0.268 300 G HA3 0.493 4.453 3.960 0.001 0.000 0.268 300 G C -0.606 174.326 174.900 0.053 0.000 1.213 300 G CA -0.229 44.913 45.100 0.070 0.000 0.926 300 G HN 0.768 nan 8.290 nan 0.000 0.523 301 S N -1.473 114.263 115.700 0.060 0.000 2.556 301 S HA 0.225 4.695 4.470 0.001 0.000 0.280 301 S C 0.258 174.893 174.600 0.058 0.000 1.141 301 S CA -0.183 58.045 58.200 0.047 0.000 0.883 301 S CB 1.830 65.049 63.200 0.031 0.000 1.103 301 S HN 0.625 nan 8.310 nan 0.000 0.453 302 E N 1.939 122.169 120.200 0.051 0.000 2.150 302 E HA -0.143 4.208 4.350 0.001 0.000 0.193 302 E C 1.786 178.425 176.600 0.064 0.000 0.985 302 E CA 2.070 58.505 56.400 0.057 0.000 0.814 302 E CB -0.063 29.664 29.700 0.046 0.000 0.752 302 E HN 0.725 nan 8.360 nan 0.000 0.466 303 E N 0.834 121.068 120.200 0.057 0.000 2.110 303 E HA -0.236 4.115 4.350 0.001 0.000 0.193 303 E C 1.769 178.431 176.600 0.104 0.000 0.988 303 E CA 1.385 57.825 56.400 0.068 0.000 0.804 303 E CB -0.472 29.253 29.700 0.042 0.000 0.745 303 E HN 0.486 nan 8.360 nan 0.000 0.458 304 E N 0.793 121.045 120.200 0.087 0.000 2.072 304 E HA -0.105 4.246 4.350 0.001 0.000 0.191 304 E C 2.331 179.026 176.600 0.158 0.000 0.985 304 E CA 0.644 57.116 56.400 0.119 0.000 0.801 304 E CB -0.118 29.630 29.700 0.080 0.000 0.750 304 E HN 0.162 nan 8.360 nan 0.000 0.452 305 R N 0.878 121.450 120.500 0.121 0.000 2.083 305 R HA -0.222 4.118 4.340 0.001 0.000 0.237 305 R C 2.356 178.715 176.300 0.098 0.000 1.137 305 R CA 1.719 57.886 56.100 0.112 0.000 0.951 305 R CB -0.049 30.311 30.300 0.098 0.000 0.851 305 R HN 0.038 nan 8.270 nan 0.000 0.434 306 Q N -0.069 119.790 119.800 0.098 0.000 2.119 306 Q HA -0.148 4.192 4.340 0.001 0.000 0.201 306 Q C 1.727 177.779 176.000 0.087 0.000 0.972 306 Q CA 1.660 57.508 55.803 0.076 0.000 0.847 306 Q CB -0.490 28.290 28.738 0.070 0.000 0.903 306 Q HN 0.396 nan 8.270 nan 0.000 0.433 307 F N -0.294 119.666 119.950 0.016 0.000 2.069 307 F HA -0.104 4.423 4.527 0.001 0.000 0.298 307 F C 1.893 177.710 175.800 0.027 0.000 1.113 307 F CA 2.106 60.113 58.000 0.013 0.000 1.214 307 F CB -0.675 38.328 39.000 0.006 0.000 0.978 307 F HN 0.180 nan 8.300 nan 0.000 0.474 308 G N -0.573 108.251 108.800 0.039 0.000 2.442 308 G HA2 -0.334 3.626 3.960 0.001 0.000 0.219 308 G HA3 -0.334 3.626 3.960 0.001 0.000 0.219 308 G C 1.534 176.420 174.900 -0.024 0.000 1.141 308 G CA 0.927 46.018 45.100 -0.015 0.000 0.763 308 G HN 0.527 nan 8.290 nan 0.000 0.554 309 E N 0.292 120.468 120.200 -0.041 0.000 2.072 309 E HA -0.128 4.223 4.350 0.001 0.000 0.191 309 E C 1.807 178.360 176.600 -0.080 0.000 0.985 309 E CA 1.109 57.479 56.400 -0.051 0.000 0.801 309 E CB -0.032 29.642 29.700 -0.043 0.000 0.750 309 E HN 0.269 nan 8.360 nan 0.000 0.452 310 D N 0.746 121.063 120.400 -0.139 0.000 2.117 310 D HA -0.166 4.474 4.640 0.001 0.000 0.197 310 D C 2.043 178.195 176.300 -0.247 0.000 0.987 310 D CA 0.687 54.583 54.000 -0.174 0.000 0.829 310 D CB -0.344 40.350 40.800 -0.177 0.000 0.961 310 D HN 0.202 nan 8.370 nan 0.000 0.460 311 L N -0.550 120.428 121.223 -0.409 0.000 2.012 311 L HA -0.136 4.204 4.340 0.001 0.000 0.210 311 L C 2.009 178.695 176.870 -0.308 0.000 1.073 311 L CA 1.689 56.264 54.840 -0.443 0.000 0.748 311 L CB -0.696 41.007 42.059 -0.594 0.000 0.891 311 L HN 0.065 nan 8.230 nan 0.000 0.431 312 W N 0.040 121.179 121.300 -0.268 0.000 2.436 312 W HA -0.056 4.604 4.660 0.000 0.000 0.284 312 W C 2.964 179.356 176.519 -0.210 0.000 1.225 312 W CA 1.689 58.896 57.345 -0.230 0.000 1.271 312 W CB -0.207 29.100 29.460 -0.256 0.000 1.114 312 W HN 0.107 nan 8.180 nan 0.000 0.559 313 R N 0.379 120.861 120.500 -0.029 0.000 2.073 313 R HA -0.170 4.171 4.340 0.001 0.000 0.234 313 R C 1.971 178.213 176.300 -0.097 0.000 1.134 313 R CA 2.071 58.126 56.100 -0.075 0.000 0.952 313 R CB -0.661 29.586 30.300 -0.088 0.000 0.850 313 R HN 0.154 nan 8.270 nan 0.000 0.433 314 I N 0.396 120.888 120.570 -0.130 0.000 2.142 314 I HA -0.259 3.911 4.170 0.001 0.000 0.240 314 I C 2.528 178.553 176.117 -0.154 0.000 1.078 314 I CA 1.516 62.736 61.300 -0.133 0.000 1.343 314 I CB -0.347 37.568 38.000 -0.142 0.000 1.046 314 I HN 0.300 nan 8.210 nan 0.000 0.405 315 A N 0.715 123.390 122.820 -0.241 0.000 1.930 315 A HA -0.059 4.262 4.320 0.001 0.000 0.217 315 A C 2.436 179.899 177.584 -0.201 0.000 1.175 315 A CA 1.585 53.450 52.037 -0.286 0.000 0.627 315 A CB -1.430 17.255 19.000 -0.526 0.000 0.815 315 A HN 0.465 nan 8.150 nan 0.000 0.443 316 G N -0.647 108.058 108.800 -0.158 0.000 2.469 316 G HA2 -0.329 3.631 3.960 0.001 0.000 0.219 316 G HA3 -0.329 3.631 3.960 0.001 0.000 0.219 316 G C 1.626 176.531 174.900 0.008 0.000 1.150 316 G CA 1.460 46.559 45.100 -0.001 0.000 0.763 316 G HN 0.551 nan 8.290 nan 0.000 0.561 317 Q N -0.458 119.321 119.800 -0.035 0.000 2.079 317 Q HA 0.028 4.368 4.340 0.001 0.000 0.200 317 Q C 2.442 178.422 176.000 -0.033 0.000 0.974 317 Q CA 0.777 56.562 55.803 -0.030 0.000 0.840 317 Q CB -0.427 28.285 28.738 -0.043 0.000 0.898 317 Q HN 0.314 nan 8.270 nan 0.000 0.430 318 L N -0.575 120.617 121.223 -0.053 0.000 2.042 318 L HA -0.139 4.201 4.340 0.001 0.000 0.210 318 L C 2.294 179.140 176.870 -0.039 0.000 1.076 318 L CA 1.256 56.064 54.840 -0.053 0.000 0.749 318 L CB -1.192 40.823 42.059 -0.074 0.000 0.893 318 L HN 0.144 nan 8.230 nan 0.000 0.432 319 V N -0.768 119.128 119.914 -0.030 0.000 2.358 319 V HA -0.231 3.889 4.120 0.001 0.000 0.246 319 V C 2.571 178.662 176.094 -0.005 0.000 1.047 319 V CA 1.463 63.757 62.300 -0.010 0.000 1.035 319 V CB -0.397 31.445 31.823 0.032 0.000 0.658 319 V HN 0.397 nan 8.190 nan 0.000 0.452 320 E N 1.961 122.167 120.200 0.009 0.000 2.085 320 E HA -0.244 4.107 4.350 0.001 0.000 0.194 320 E C 1.314 177.908 176.600 -0.010 0.000 0.994 320 E CA 1.954 58.358 56.400 0.005 0.000 0.801 320 E CB -0.340 29.368 29.700 0.013 0.000 0.743 320 E HN 0.859 nan 8.360 nan 0.000 0.453 321 D N -2.095 118.294 120.400 -0.017 0.000 2.358 321 D HA 0.234 4.874 4.640 0.001 0.000 0.224 321 D C 0.964 177.249 176.300 -0.024 0.000 1.123 321 D CA 0.478 54.466 54.000 -0.021 0.000 0.833 321 D CB 0.246 41.033 40.800 -0.022 0.000 0.946 321 D HN 0.268 nan 8.370 nan 0.000 0.505 322 G N 0.784 109.569 108.800 -0.025 0.000 2.143 322 G HA2 -0.396 3.564 3.960 0.001 0.000 0.249 322 G HA3 -0.396 3.564 3.960 0.001 0.000 0.249 322 G C 1.114 175.993 174.900 -0.034 0.000 0.981 322 G CA 0.179 45.262 45.100 -0.029 0.000 0.665 322 G HN 0.426 nan 8.290 nan 0.000 0.528 323 R N -1.350 119.128 120.500 -0.035 0.000 2.276 323 R HA 0.407 4.747 4.340 0.001 0.000 0.196 323 R C 0.349 176.624 176.300 -0.042 0.000 0.961 323 R CA 0.386 56.464 56.100 -0.038 0.000 1.024 323 R CB 0.329 30.607 30.300 -0.037 0.000 0.940 323 R HN 0.336 nan 8.270 nan 0.000 0.480 324 L N 0.922 122.118 121.223 -0.044 0.000 2.404 324 L HA 0.327 4.668 4.340 0.001 0.000 0.272 324 L C -0.828 176.016 176.870 -0.043 0.000 0.980 324 L CA -0.982 53.830 54.840 -0.047 0.000 0.836 324 L CB 2.054 44.078 42.059 -0.059 0.000 1.238 324 L HN -0.176 nan 8.230 nan 0.000 0.408 325 V N 1.048 120.928 119.914 -0.057 0.000 2.667 325 V HA 0.676 4.797 4.120 0.001 0.000 0.308 325 V C -0.169 175.872 176.094 -0.089 0.000 1.048 325 V CA -0.617 61.622 62.300 -0.101 0.000 0.928 325 V CB 1.403 33.120 31.823 -0.177 0.000 1.004 325 V HN 0.941 nan 8.190 nan 0.000 0.444 326 H N 1.223 120.293 119.070 0.001 0.000 2.745 326 H HA 0.396 4.953 4.556 0.001 0.000 0.373 326 H C 0.318 175.695 175.328 0.082 0.000 1.226 326 H CA -0.008 56.063 56.048 0.038 0.000 1.435 326 H CB 0.153 29.928 29.762 0.020 0.000 1.461 326 H HN 0.945 nan 8.280 nan 0.000 0.616 327 H N 1.523 120.671 119.070 0.130 0.000 2.790 327 H HA 0.074 4.630 4.556 0.001 0.000 0.358 327 H C -2.099 173.339 175.328 0.184 0.000 1.103 327 H CA -1.782 54.319 56.048 0.088 0.000 1.426 327 H CB 0.618 30.434 29.762 0.089 0.000 1.424 327 H HN 0.552 nan 8.280 nan 0.000 0.599 328 P HA -0.018 nan 4.420 nan 0.000 0.267 328 P C -0.582 176.752 177.300 0.056 0.000 1.200 328 P CA 0.444 63.515 63.100 -0.048 0.000 0.772 328 P CB 0.526 32.124 31.700 -0.170 0.000 0.855 329 L N 2.654 123.937 121.223 0.099 0.000 2.325 329 L HA 0.578 4.918 4.340 0.001 0.000 0.278 329 L C 0.743 177.636 176.870 0.040 0.000 1.023 329 L CA -0.733 54.147 54.840 0.067 0.000 0.811 329 L CB 1.491 43.557 42.059 0.011 0.000 1.249 329 L HN 0.271 nan 8.230 nan 0.000 0.431 330 R N 2.031 122.555 120.500 0.041 0.000 2.310 330 R HA 0.526 4.866 4.340 0.001 0.000 0.316 330 R C -1.512 174.797 176.300 0.017 0.000 1.004 330 R CA -0.426 55.691 56.100 0.028 0.000 0.900 330 R CB 1.215 31.536 30.300 0.035 0.000 1.152 330 R HN 0.473 nan 8.270 nan 0.000 0.513 331 V N 5.202 125.118 119.914 0.002 0.000 2.439 331 V HA 0.352 4.472 4.120 0.001 0.000 0.282 331 V C -0.125 175.958 176.094 -0.019 0.000 1.039 331 V CA -0.668 61.625 62.300 -0.012 0.000 0.913 331 V CB 1.631 33.441 31.823 -0.020 0.000 0.983 331 V HN 0.436 nan 8.190 nan 0.000 0.460 332 V N 5.169 125.063 119.914 -0.034 0.000 2.459 332 V HA 0.413 4.534 4.120 0.001 0.000 0.295 332 V C -0.297 175.725 176.094 -0.120 0.000 1.029 332 V CA -0.779 61.490 62.300 -0.050 0.000 0.874 332 V CB 1.949 33.765 31.823 -0.011 0.000 0.985 332 V HN 0.859 nan 8.190 nan 0.000 0.438 333 Q N 3.460 123.166 119.800 -0.157 0.000 2.303 333 Q HA 0.745 5.086 4.340 0.001 0.000 0.257 333 Q C 0.252 175.983 176.000 -0.449 0.000 0.941 333 Q CA -0.191 55.481 55.803 -0.218 0.000 0.931 333 Q CB 2.021 30.674 28.738 -0.143 0.000 1.215 333 Q HN 1.005 nan 8.270 nan 0.000 0.437 334 G N 0.536 109.038 108.800 -0.496 0.000 2.341 334 G HA2 0.533 4.493 3.960 0.001 0.000 0.299 334 G HA3 0.533 4.493 3.960 0.001 0.000 0.299 334 G C -1.023 173.654 174.900 -0.372 0.000 1.274 334 G CA -0.124 44.483 45.100 -0.821 0.000 0.853 334 G HN 0.675 nan 8.290 nan 0.000 0.493 335 G N -1.634 107.095 108.800 -0.120 0.000 3.212 335 G HA2 0.533 4.493 3.960 0.001 0.000 0.188 335 G HA3 0.533 4.493 3.960 0.001 0.000 0.188 335 G C 0.254 175.100 174.900 -0.090 0.000 1.254 335 G CA -0.383 44.678 45.100 -0.065 0.000 0.957 335 G HN 0.381 nan 8.290 nan 0.000 0.596 336 F N 0.161 120.117 119.950 0.010 0.000 2.293 336 F HA 0.034 4.561 4.527 0.000 0.000 0.300 336 F C 2.434 178.213 175.800 -0.035 0.000 1.086 336 F CA 1.069 59.046 58.000 -0.039 0.000 1.375 336 F CB 0.235 39.212 39.000 -0.038 0.000 1.045 336 F HN 0.252 nan 8.300 nan 0.000 0.516 337 D N -0.699 119.783 120.400 0.136 0.000 2.144 337 D HA -0.174 4.467 4.640 0.001 0.000 0.199 337 D C 1.994 178.234 176.300 -0.100 0.000 0.984 337 D CA 1.157 55.158 54.000 0.003 0.000 0.834 337 D CB -0.264 40.507 40.800 -0.049 0.000 0.955 337 D HN 0.452 nan 8.370 nan 0.000 0.465 338 H N 0.366 119.390 119.070 -0.075 0.000 2.456 338 H HA -0.034 4.522 4.556 0.001 0.000 0.296 338 H C 2.367 177.601 175.328 -0.156 0.000 1.079 338 H CA 0.515 56.500 56.048 -0.106 0.000 1.322 338 H CB 0.311 30.002 29.762 -0.117 0.000 1.388 338 H HN 0.250 nan 8.280 nan 0.000 0.538 339 I N 0.789 121.281 120.570 -0.130 0.000 2.233 339 I HA -0.211 3.959 4.170 0.001 0.000 0.243 339 I C 2.706 178.704 176.117 -0.199 0.000 1.093 339 I CA 0.942 62.059 61.300 -0.305 0.000 1.380 339 I CB -0.162 37.476 38.000 -0.604 0.000 1.067 339 I HN 0.071 nan 8.210 nan 0.000 0.413 340 K N 0.999 121.335 120.400 -0.106 0.000 2.063 340 K HA -0.245 4.075 4.320 0.001 0.000 0.208 340 K C 2.163 178.739 176.600 -0.039 0.000 1.048 340 K CA 1.666 57.928 56.287 -0.042 0.000 0.928 340 K CB -0.015 32.483 32.500 -0.003 0.000 0.713 340 K HN 0.336 nan 8.250 nan 0.000 0.442 341 Q N -0.566 119.198 119.800 -0.060 0.000 2.050 341 Q HA -0.103 4.237 4.340 0.001 0.000 0.202 341 Q C 2.153 178.134 176.000 -0.031 0.000 0.980 341 Q CA 1.514 57.285 55.803 -0.054 0.000 0.840 341 Q CB -0.310 28.373 28.738 -0.092 0.000 0.898 341 Q HN 0.534 nan 8.270 nan 0.000 0.424 342 G N 0.944 109.722 108.800 -0.036 0.000 2.513 342 G HA2 -0.318 3.643 3.960 0.001 0.000 0.219 342 G HA3 -0.318 3.643 3.960 0.001 0.000 0.219 342 G C 1.369 176.271 174.900 0.003 0.000 1.160 342 G CA 1.262 46.350 45.100 -0.020 0.000 0.767 342 G HN 0.230 nan 8.290 nan 0.000 0.571 343 M N -0.084 119.517 119.600 0.002 0.000 2.159 343 M HA -0.010 4.471 4.480 0.001 0.000 0.263 343 M C 2.497 178.818 176.300 0.035 0.000 1.063 343 M CA 1.050 56.376 55.300 0.043 0.000 1.110 343 M CB -0.147 32.494 32.600 0.067 0.000 1.374 343 M HN 0.114 nan 8.290 nan 0.000 0.411 344 E N 0.319 120.529 120.200 0.018 0.000 2.072 344 E HA -0.135 4.216 4.350 0.001 0.000 0.191 344 E C 2.020 178.630 176.600 0.018 0.000 0.985 344 E CA 1.075 57.484 56.400 0.016 0.000 0.801 344 E CB -0.363 29.340 29.700 0.005 0.000 0.750 344 E HN 0.319 nan 8.360 nan 0.000 0.452 345 L N 0.513 121.746 121.223 0.016 0.000 2.042 345 L HA -0.166 4.174 4.340 0.001 0.000 0.210 345 L C 2.397 179.286 176.870 0.032 0.000 1.076 345 L CA 1.215 56.068 54.840 0.021 0.000 0.749 345 L CB -0.655 41.416 42.059 0.020 0.000 0.893 345 L HN -0.050 nan 8.230 nan 0.000 0.432 346 V N -0.881 119.056 119.914 0.039 0.000 2.379 346 V HA -0.235 3.886 4.120 0.001 0.000 0.245 346 V C 2.673 178.791 176.094 0.041 0.000 1.044 346 V CA 1.715 64.043 62.300 0.047 0.000 1.036 346 V CB -0.585 31.274 31.823 0.061 0.000 0.664 346 V HN 0.447 nan 8.190 nan 0.000 0.453 347 R N 0.394 120.915 120.500 0.036 0.000 2.120 347 R HA -0.167 4.174 4.340 0.001 0.000 0.234 347 R C 2.046 178.362 176.300 0.026 0.000 1.123 347 R CA 1.493 57.610 56.100 0.029 0.000 0.975 347 R CB -0.100 30.216 30.300 0.027 0.000 0.866 347 R HN 0.418 nan 8.270 nan 0.000 0.446 348 K N -0.862 119.553 120.400 0.026 0.000 2.487 348 K HA 0.065 4.386 4.320 0.001 0.000 0.192 348 K C 0.545 177.162 176.600 0.029 0.000 1.027 348 K CA 0.537 56.838 56.287 0.024 0.000 1.054 348 K CB 0.464 32.977 32.500 0.020 0.000 0.824 348 K HN 0.462 nan 8.250 nan 0.000 0.510 349 G N 1.879 110.700 108.800 0.034 0.000 2.221 349 G HA2 -0.286 3.674 3.960 0.001 0.000 0.265 349 G HA3 -0.286 3.674 3.960 0.001 0.000 0.265 349 G C 0.220 175.147 174.900 0.045 0.000 1.041 349 G CA 0.307 45.432 45.100 0.041 0.000 0.807 349 G HN 0.486 nan 8.290 nan 0.000 0.502 350 E N -0.951 119.273 120.200 0.041 0.000 2.479 350 E HA 0.251 4.601 4.350 0.001 0.000 0.193 350 E C 0.953 177.581 176.600 0.046 0.000 1.049 350 E CA -0.019 56.404 56.400 0.038 0.000 0.870 350 E CB 0.370 30.086 29.700 0.027 0.000 0.944 350 E HN 0.551 nan 8.360 nan 0.000 0.492 351 L N 0.638 121.898 121.223 0.061 0.000 2.317 351 L HA 0.355 4.695 4.340 0.001 0.000 0.281 351 L C -0.110 176.821 176.870 0.102 0.000 1.024 351 L CA -0.637 54.249 54.840 0.077 0.000 0.810 351 L CB 1.900 44.010 42.059 0.084 0.000 1.240 351 L HN -0.154 nan 8.230 nan 0.000 0.427 352 S N 1.123 116.897 115.700 0.124 0.000 2.672 352 S HA 0.595 5.065 4.470 0.001 0.000 0.291 352 S C 0.429 175.127 174.600 0.165 0.000 1.145 352 S CA 0.209 58.511 58.200 0.170 0.000 1.013 352 S CB 1.397 64.757 63.200 0.268 0.000 1.017 352 S HN 0.995 nan 8.310 nan 0.000 0.487 353 G N 3.342 112.233 108.800 0.151 0.000 2.179 353 G HA2 -0.186 3.775 3.960 0.001 0.000 0.257 353 G HA3 -0.186 3.775 3.960 0.001 0.000 0.257 353 G C -0.267 174.596 174.900 -0.063 0.000 1.010 353 G CA 0.789 45.926 45.100 0.061 0.000 0.736 353 G HN 0.716 nan 8.290 nan 0.000 0.513 354 E N -1.399 118.866 120.200 0.109 0.000 2.390 354 E HA 0.558 4.908 4.350 0.001 0.000 0.277 354 E C -0.776 175.981 176.600 0.260 0.000 0.939 354 E CA -1.149 55.299 56.400 0.081 0.000 0.769 354 E CB 1.643 31.383 29.700 0.067 0.000 1.251 354 E HN 0.049 nan 8.360 nan 0.000 0.450 355 K N 1.792 122.349 120.400 0.261 0.000 2.235 355 K HA 0.359 4.679 4.320 0.001 0.000 0.266 355 K C -1.429 175.248 176.600 0.128 0.000 0.980 355 K CA -0.704 55.719 56.287 0.227 0.000 0.849 355 K CB 0.835 33.487 32.500 0.254 0.000 1.098 355 K HN 0.282 nan 8.250 nan 0.000 0.445 356 L N 5.531 126.816 121.223 0.103 0.000 2.315 356 L HA 0.371 4.712 4.340 0.001 0.000 0.283 356 L C -1.212 175.694 176.870 0.060 0.000 1.089 356 L CA -0.045 54.836 54.840 0.067 0.000 0.833 356 L CB 0.968 43.060 42.059 0.056 0.000 1.170 356 L HN 0.444 nan 8.230 nan 0.000 0.442 357 V N 5.925 125.860 119.914 0.035 0.000 2.495 357 V HA 0.452 4.572 4.120 0.001 0.000 0.298 357 V C -0.409 175.672 176.094 -0.022 0.000 1.031 357 V CA -0.786 61.526 62.300 0.020 0.000 0.871 357 V CB 2.038 33.871 31.823 0.016 0.000 0.988 357 V HN 0.409 nan 8.190 nan 0.000 0.432 358 V N 5.086 124.967 119.914 -0.054 0.000 2.350 358 V HA 0.457 4.577 4.120 0.001 0.000 0.276 358 V C 0.187 176.208 176.094 -0.122 0.000 1.028 358 V CA -0.743 61.489 62.300 -0.114 0.000 0.860 358 V CB 1.506 33.216 31.823 -0.188 0.000 0.990 358 V HN 0.820 nan 8.190 nan 0.000 0.453 359 R N 5.309 125.739 120.500 -0.118 0.000 2.216 359 R HA 0.387 4.728 4.340 0.001 0.000 0.332 359 R C -0.706 175.493 176.300 -0.169 0.000 1.056 359 R CA -0.138 55.895 56.100 -0.111 0.000 0.901 359 R CB 0.109 30.368 30.300 -0.067 0.000 1.039 359 R HN 0.707 nan 8.270 nan 0.000 0.456 360 L N 5.090 126.196 121.223 -0.195 0.000 2.418 360 L HA 0.139 4.480 4.340 0.001 0.000 0.274 360 L C 0.813 177.584 176.870 -0.166 0.000 1.135 360 L CA 0.035 54.738 54.840 -0.228 0.000 0.870 360 L CB 0.676 42.581 42.059 -0.258 0.000 1.154 360 L HN 0.692 nan 8.230 nan 0.000 0.462 361 E N 4.115 124.226 120.200 -0.150 0.000 2.003 361 E HA 0.235 4.586 4.350 0.001 0.000 0.279 361 E C -0.229 176.335 176.600 -0.060 0.000 1.132 361 E CA -0.525 55.816 56.400 -0.098 0.000 0.888 361 E CB 1.019 30.660 29.700 -0.098 0.000 1.056 361 E HN 0.678 nan 8.360 nan 0.000 0.399 362 G N 5.617 114.384 108.800 -0.055 0.000 2.588 362 G HA2 0.437 4.397 3.960 0.001 0.000 0.312 362 G HA3 0.437 4.397 3.960 0.001 0.000 0.312 362 G C -1.768 173.125 174.900 -0.011 0.000 1.257 362 G CA -0.872 44.211 45.100 -0.029 0.000 0.994 362 G HN 0.586 nan 8.290 nan 0.000 0.498 363 P HA 0.000 nan 4.420 nan 0.000 0.216 363 P CA 0.000 63.109 63.100 0.016 0.000 0.800 363 P CB 0.000 31.715 31.700 0.025 0.000 0.726