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 1f5q_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFQKVEKX XEGTYGVVYK ARNKLTGEVV ALKKIRLDTE TEGVPSTAIR DATA SEQUENCE EISLLKELNH PNIVKLLDVI HTENKLYLVF EFLHQDLKKF MDASALTGIP DATA SEQUENCE LPLIKSYLFQ LLQGLAFCHS HRVLHRDLKP QNLLINTEGA IKLADFGLAR DATA SEQUENCE AFGVPVRTYT HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHLRL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.421 176.300 0.202 0.000 1.140 1 M CA 0.000 55.388 55.300 0.147 0.000 0.988 1 M CB 0.000 32.629 32.600 0.049 0.000 1.302 2 E N 1.091 121.322 120.200 0.052 0.000 2.113 2 E HA 0.664 5.014 4.350 -0.000 0.000 0.273 2 E C -0.629 175.833 176.600 -0.230 0.000 0.924 2 E CA 0.192 56.575 56.400 -0.030 0.000 0.764 2 E CB 0.511 30.189 29.700 -0.036 0.000 1.104 2 E HN 0.404 nan 8.360 nan 0.000 0.406 3 N N 3.275 121.683 118.700 -0.487 0.000 3.664 3 N HA 0.052 4.792 4.740 -0.000 0.000 0.129 3 N C -1.621 173.193 175.510 -1.161 0.000 0.945 3 N CA -0.098 52.509 53.050 -0.740 0.000 3.053 3 N CB 0.016 37.977 38.487 -0.877 0.000 1.250 3 N HN 0.194 nan 8.380 nan 0.000 0.800 4 F N 0.463 120.361 119.950 -0.088 0.000 2.601 4 F HA 0.579 5.106 4.527 -0.000 0.000 0.309 4 F C 0.458 176.195 175.800 -0.104 0.000 1.089 4 F CA -0.506 57.433 58.000 -0.101 0.000 0.940 4 F CB 1.572 40.490 39.000 -0.136 0.000 1.273 4 F HN -0.068 nan 8.300 nan 0.000 0.450 5 Q N 1.995 121.861 119.800 0.110 0.000 2.656 5 Q HA 0.320 4.660 4.340 -0.000 0.000 0.389 5 Q C -0.133 175.857 176.000 -0.017 0.000 0.883 5 Q CA -0.819 54.992 55.803 0.013 0.000 1.056 5 Q CB 0.057 28.788 28.738 -0.011 0.000 1.391 5 Q HN 0.646 nan 8.270 nan 0.000 0.399 6 K N -0.057 120.310 120.400 -0.056 0.000 2.606 6 K HA 0.260 4.580 4.320 -0.000 0.000 0.279 6 K C -0.143 176.409 176.600 -0.081 0.000 0.961 6 K CA 0.619 56.830 56.287 -0.126 0.000 1.002 6 K CB 0.464 32.745 32.500 -0.365 0.000 0.871 6 K HN 0.391 nan 8.250 nan 0.000 0.508 7 V N 0.194 120.100 119.914 -0.013 0.000 3.023 7 V HA 0.194 4.314 4.120 -0.000 0.000 0.294 7 V C -0.122 176.072 176.094 0.167 0.000 1.324 7 V CA -0.866 61.459 62.300 0.042 0.000 0.979 7 V CB 1.627 33.456 31.823 0.010 0.000 1.093 7 V HN 0.939 nan 8.190 nan 0.000 0.434 8 E N 1.405 121.715 120.200 0.183 0.000 2.409 8 E HA 0.699 5.049 4.350 -0.000 0.000 0.257 8 E C 0.020 176.711 176.600 0.151 0.000 1.150 8 E CA 0.459 56.991 56.400 0.220 0.000 0.942 8 E CB 0.716 30.511 29.700 0.158 0.000 0.979 8 E HN 1.378 nan 8.360 nan 0.000 0.447 13 G N 1.329 110.105 108.800 -0.039 0.000 2.065 13 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.396 13 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.396 13 G C 0.976 175.859 174.900 -0.028 0.000 1.446 13 G CA 1.698 46.777 45.100 -0.036 0.000 1.047 13 G HN 0.109 nan 8.290 nan 0.000 0.473 14 T N -0.946 113.609 114.554 0.002 0.000 3.523 14 T HA 0.099 4.449 4.350 -0.000 0.000 0.216 14 T C 1.230 175.921 174.700 -0.016 0.000 0.922 14 T CA 0.611 62.706 62.100 -0.008 0.000 1.558 14 T CB -0.244 68.672 68.868 0.081 0.000 1.424 14 T HN 0.237 nan 8.240 nan 0.000 0.452 15 Y N 2.178 122.462 120.300 -0.026 0.000 2.873 15 Y HA 0.489 5.039 4.550 -0.000 0.000 0.375 15 Y C 1.346 177.219 175.900 -0.046 0.000 1.070 15 Y CA 0.004 58.088 58.100 -0.026 0.000 1.644 15 Y CB -0.624 37.825 38.460 -0.019 0.000 1.495 15 Y HN 0.684 nan 8.280 nan 0.000 0.494 16 G N -1.146 107.694 108.800 0.068 0.000 2.055 16 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.160 16 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.160 16 G C -0.399 174.473 174.900 -0.046 0.000 1.087 16 G CA -0.382 44.722 45.100 0.007 0.000 1.269 16 G HN 0.307 nan 8.290 nan 0.000 0.461 17 V N -1.456 118.384 119.914 -0.124 0.000 3.503 17 V HA 0.899 5.019 4.120 -0.000 0.000 0.294 17 V C 0.378 176.325 176.094 -0.245 0.000 1.102 17 V CA -0.508 61.649 62.300 -0.238 0.000 0.979 17 V CB 1.364 32.898 31.823 -0.482 0.000 1.240 17 V HN 1.430 nan 8.190 nan 0.000 0.444 18 V N 0.633 120.360 119.914 -0.312 0.000 2.841 18 V HA 0.306 4.426 4.120 -0.000 0.000 0.258 18 V C -1.266 174.774 176.094 -0.090 0.000 0.973 18 V CA -0.345 61.864 62.300 -0.151 0.000 0.921 18 V CB 0.519 32.319 31.823 -0.038 0.000 1.053 18 V HN 0.802 nan 8.190 nan 0.000 0.498 19 Y N 2.362 122.717 120.300 0.092 0.000 2.359 19 Y HA 0.410 4.959 4.550 -0.000 0.000 0.330 19 Y C 0.666 176.602 175.900 0.060 0.000 1.143 19 Y CA -0.162 57.974 58.100 0.061 0.000 1.318 19 Y CB 0.976 39.453 38.460 0.029 0.000 1.234 19 Y HN 0.463 nan 8.280 nan 0.000 0.522 20 K N 2.270 122.794 120.400 0.208 0.000 2.143 20 K HA 0.819 5.139 4.320 -0.000 0.000 0.272 20 K C -1.077 175.519 176.600 -0.007 0.000 1.001 20 K CA -0.362 55.966 56.287 0.067 0.000 0.915 20 K CB 0.901 33.370 32.500 -0.051 0.000 1.047 20 K HN 0.821 nan 8.250 nan 0.000 0.458 21 A N 1.523 124.302 122.820 -0.068 0.000 2.581 21 A HA 0.799 5.118 4.320 -0.000 0.000 0.290 21 A C -1.400 176.196 177.584 0.020 0.000 1.119 21 A CA -0.794 51.236 52.037 -0.011 0.000 0.670 21 A CB 1.245 20.256 19.000 0.019 0.000 1.280 21 A HN 0.875 nan 8.150 nan 0.000 0.425 22 R N 0.639 121.193 120.500 0.090 0.000 2.803 22 R HA 0.780 5.119 4.340 -0.000 0.000 0.276 22 R C -0.149 176.204 176.300 0.089 0.000 0.978 22 R CA -0.432 55.704 56.100 0.060 0.000 0.939 22 R CB 0.695 30.987 30.300 -0.013 0.000 1.179 22 R HN 1.034 nan 8.270 nan 0.000 0.472 23 N N 0.230 118.918 118.700 -0.021 0.000 2.424 23 N HA 0.212 4.952 4.740 -0.000 0.000 0.257 23 N C 0.862 176.236 175.510 -0.226 0.000 1.250 23 N CA 0.837 53.752 53.050 -0.224 0.000 0.946 23 N CB 1.485 39.888 38.487 -0.141 0.000 1.175 23 N HN 0.726 nan 8.380 nan 0.000 0.477 24 K N 1.622 121.837 120.400 -0.308 0.000 2.240 24 K HA 0.218 4.537 4.320 -0.000 0.000 0.202 24 K C 2.217 178.730 176.600 -0.146 0.000 1.053 24 K CA 1.148 57.315 56.287 -0.200 0.000 0.973 24 K CB -1.547 30.823 32.500 -0.215 0.000 0.924 24 K HN 0.463 nan 8.250 nan 0.000 0.477 25 L N 1.516 122.642 121.223 -0.163 0.000 1.988 25 L HA 0.006 4.345 4.340 -0.000 0.000 0.207 25 L C 2.808 179.626 176.870 -0.087 0.000 1.071 25 L CA 3.020 57.793 54.840 -0.112 0.000 0.744 25 L CB -1.672 40.320 42.059 -0.111 0.000 0.893 25 L HN 0.747 nan 8.230 nan 0.000 0.433 26 T N -4.244 110.254 114.554 -0.094 0.000 3.040 26 T HA 0.365 4.715 4.350 -0.000 0.000 0.250 26 T C 1.538 176.207 174.700 -0.052 0.000 1.058 26 T CA 1.027 63.092 62.100 -0.060 0.000 0.988 26 T CB -0.400 68.442 68.868 -0.043 0.000 0.993 26 T HN 2.130 nan 8.240 nan 0.000 0.519 27 G N 2.739 111.495 108.800 -0.074 0.000 2.416 27 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.301 27 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.301 27 G C -0.179 174.703 174.900 -0.029 0.000 0.985 27 G CA 0.663 45.731 45.100 -0.054 0.000 0.934 27 G HN 1.060 nan 8.290 nan 0.000 0.513 28 E N -0.323 119.868 120.200 -0.015 0.000 2.216 28 E HA 0.517 4.867 4.350 -0.000 0.000 0.279 28 E C 0.378 176.989 176.600 0.019 0.000 0.997 28 E CA -1.092 55.314 56.400 0.011 0.000 0.817 28 E CB 1.732 31.450 29.700 0.031 0.000 1.096 28 E HN 0.161 nan 8.360 nan 0.000 0.393 29 V N 3.216 123.117 119.914 -0.022 0.000 2.694 29 V HA 0.110 4.230 4.120 -0.000 0.000 0.306 29 V C 0.318 176.429 176.094 0.029 0.000 1.054 29 V CA -0.037 62.187 62.300 -0.127 0.000 1.161 29 V CB 0.591 32.240 31.823 -0.291 0.000 0.916 29 V HN 0.577 nan 8.190 nan 0.000 0.490 30 V N 2.680 122.619 119.914 0.042 0.000 3.188 30 V HA 0.860 4.980 4.120 -0.000 0.000 0.305 30 V C -0.343 175.908 176.094 0.260 0.000 1.232 30 V CA -0.325 62.101 62.300 0.209 0.000 1.043 30 V CB 2.550 34.506 31.823 0.221 0.000 1.068 30 V HN 1.133 nan 8.190 nan 0.000 0.439 31 A N 3.593 126.616 122.820 0.338 0.000 2.318 31 A HA 0.880 5.200 4.320 -0.000 0.000 0.317 31 A C -1.257 176.477 177.584 0.249 0.000 1.159 31 A CA -0.440 51.805 52.037 0.347 0.000 0.799 31 A CB 0.772 19.974 19.000 0.337 0.000 1.194 31 A HN 0.704 nan 8.150 nan 0.000 0.479 32 L N 2.339 123.675 121.223 0.189 0.000 2.287 32 L HA 0.484 4.823 4.340 -0.000 0.000 0.287 32 L C 0.193 177.193 176.870 0.216 0.000 1.022 32 L CA -0.457 54.488 54.840 0.175 0.000 0.814 32 L CB 1.713 43.828 42.059 0.093 0.000 1.217 32 L HN 0.750 nan 8.230 nan 0.000 0.420 33 K N 4.264 124.819 120.400 0.257 0.000 2.240 33 K HA 0.309 4.629 4.320 -0.000 0.000 0.271 33 K C -0.674 175.995 176.600 0.115 0.000 1.018 33 K CA -0.656 55.743 56.287 0.186 0.000 0.874 33 K CB 1.196 33.866 32.500 0.283 0.000 1.098 33 K HN 0.400 nan 8.250 nan 0.000 0.458 34 K N 5.782 126.186 120.400 0.007 0.000 2.211 34 K HA 0.340 4.660 4.320 -0.000 0.000 0.275 34 K C -1.010 175.492 176.600 -0.163 0.000 1.024 34 K CA -0.507 55.680 56.287 -0.167 0.000 0.887 34 K CB 0.681 33.093 32.500 -0.145 0.000 1.084 34 K HN 0.569 nan 8.250 nan 0.000 0.463 35 I N 4.316 124.732 120.570 -0.257 0.000 2.466 35 I HA 0.360 4.529 4.170 -0.000 0.000 0.289 35 I C -0.061 175.949 176.117 -0.179 0.000 1.026 35 I CA -1.043 60.117 61.300 -0.232 0.000 1.078 35 I CB 1.877 39.645 38.000 -0.387 0.000 1.249 35 I HN 0.450 nan 8.210 nan 0.000 0.429 36 R N 5.584 126.028 120.500 -0.092 0.000 2.308 36 R HA 0.414 4.754 4.340 -0.000 0.000 0.305 36 R C 0.419 176.691 176.300 -0.048 0.000 1.053 36 R CA -0.381 55.682 56.100 -0.060 0.000 0.957 36 R CB 1.520 31.808 30.300 -0.020 0.000 1.022 36 R HN 0.673 nan 8.270 nan 0.000 0.461 37 L N 1.475 122.674 121.223 -0.041 0.000 2.554 37 L HA 0.033 4.373 4.340 -0.000 0.000 0.225 37 L C 1.060 177.921 176.870 -0.014 0.000 1.104 37 L CA 0.438 55.256 54.840 -0.037 0.000 0.866 37 L CB 0.017 42.049 42.059 -0.045 0.000 1.047 37 L HN 0.571 nan 8.230 nan 0.000 0.468 38 D N -1.572 118.827 120.400 -0.002 0.000 2.462 38 D HA -0.024 4.616 4.640 -0.000 0.000 0.221 38 D C 1.220 177.524 176.300 0.008 0.000 1.173 38 D CA 0.610 54.614 54.000 0.006 0.000 0.831 38 D CB 0.109 40.917 40.800 0.014 0.000 1.001 38 D HN 0.199 nan 8.370 nan 0.000 0.499 39 T N -3.081 111.478 114.554 0.008 0.000 3.000 39 T HA 0.164 4.514 4.350 -0.000 0.000 0.248 39 T C 0.730 175.438 174.700 0.014 0.000 1.034 39 T CA -0.079 62.028 62.100 0.012 0.000 1.060 39 T CB 0.447 69.325 68.868 0.015 0.000 0.983 39 T HN -0.021 nan 8.240 nan 0.000 0.482 40 E N 1.477 121.686 120.200 0.016 0.000 2.277 40 E HA 0.365 4.715 4.350 -0.000 0.000 0.274 40 E C 0.582 177.190 176.600 0.013 0.000 1.022 40 E CA -0.351 56.060 56.400 0.018 0.000 0.853 40 E CB 1.315 31.032 29.700 0.028 0.000 1.086 40 E HN 0.040 nan 8.360 nan 0.000 0.397 41 T N 1.862 116.423 114.554 0.013 0.000 2.653 41 T HA -0.178 4.171 4.350 -0.000 0.000 0.268 41 T C 0.955 175.660 174.700 0.008 0.000 1.035 41 T CA 1.308 63.413 62.100 0.010 0.000 1.154 41 T CB -0.033 68.842 68.868 0.010 0.000 0.862 41 T HN 0.379 nan 8.240 nan 0.000 0.441 42 E N 0.556 120.762 120.200 0.010 0.000 2.437 42 E HA 0.338 4.688 4.350 -0.000 0.000 0.189 42 E C 1.390 177.990 176.600 0.000 0.000 1.054 42 E CA 0.384 56.788 56.400 0.006 0.000 0.874 42 E CB -0.158 29.547 29.700 0.010 0.000 1.011 42 E HN 0.568 nan 8.360 nan 0.000 0.474 43 G N 0.656 109.455 108.800 -0.001 0.000 2.509 43 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.256 43 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.256 43 G C 0.054 174.944 174.900 -0.016 0.000 1.152 43 G CA -0.219 44.873 45.100 -0.012 0.000 0.951 43 G HN 0.119 nan 8.290 nan 0.000 0.559 44 V N 3.344 123.236 119.914 -0.036 0.000 2.557 44 V HA 0.316 4.436 4.120 -0.000 0.000 0.301 44 V C -1.364 174.720 176.094 -0.017 0.000 1.026 44 V CA 0.186 62.456 62.300 -0.049 0.000 1.137 44 V CB 0.599 32.378 31.823 -0.073 0.000 0.917 44 V HN 0.594 nan 8.190 nan 0.000 0.484 45 P HA 0.089 nan 4.420 nan 0.000 0.267 45 P C 0.931 178.264 177.300 0.056 0.000 1.205 45 P CA 0.097 63.236 63.100 0.064 0.000 0.765 45 P CB 0.693 32.495 31.700 0.169 0.000 0.828 46 S N 1.390 117.124 115.700 0.057 0.000 2.419 46 S HA -0.194 4.275 4.470 -0.000 0.000 0.235 46 S C 1.683 176.327 174.600 0.073 0.000 1.019 46 S CA 1.869 60.097 58.200 0.047 0.000 0.982 46 S CB -1.593 61.630 63.200 0.038 0.000 0.789 46 S HN 0.582 nan 8.310 nan 0.000 0.490 47 T N -0.065 114.563 114.554 0.123 0.000 2.821 47 T HA 0.202 4.552 4.350 -0.000 0.000 0.267 47 T C 1.990 176.808 174.700 0.198 0.000 1.046 47 T CA 0.956 63.159 62.100 0.170 0.000 1.139 47 T CB -0.802 68.199 68.868 0.222 0.000 0.871 47 T HN 0.558 nan 8.240 nan 0.000 0.454 48 A N 1.922 124.829 122.820 0.146 0.000 1.898 48 A HA 0.125 4.445 4.320 -0.000 0.000 0.216 48 A C 2.375 179.961 177.584 0.003 0.000 1.181 48 A CA 1.132 53.161 52.037 -0.013 0.000 0.620 48 A CB -0.648 18.200 19.000 -0.254 0.000 0.819 48 A HN 0.450 nan 8.150 nan 0.000 0.442 49 I N 0.071 120.644 120.570 0.006 0.000 2.208 49 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 49 I C 2.526 178.660 176.117 0.027 0.000 1.097 49 I CA 1.541 62.841 61.300 0.001 0.000 1.363 49 I CB -1.364 36.635 38.000 -0.003 0.000 1.051 49 I HN 0.359 nan 8.210 nan 0.000 0.413 50 R N 0.231 120.764 120.500 0.054 0.000 2.090 50 R HA -0.141 4.199 4.340 -0.000 0.000 0.228 50 R C 2.186 178.541 176.300 0.091 0.000 1.110 50 R CA 0.981 57.125 56.100 0.074 0.000 0.973 50 R CB -0.224 30.124 30.300 0.081 0.000 0.869 50 R HN 0.434 nan 8.270 nan 0.000 0.440 51 E N 0.992 121.255 120.200 0.104 0.000 2.051 51 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 51 E C 1.934 178.582 176.600 0.081 0.000 0.991 51 E CA 1.013 57.489 56.400 0.127 0.000 0.799 51 E CB 0.045 29.860 29.700 0.191 0.000 0.748 51 E HN 0.253 nan 8.360 nan 0.000 0.449 52 I N 0.349 120.947 120.570 0.046 0.000 2.142 52 I HA -0.270 3.900 4.170 -0.000 0.000 0.240 52 I C 2.472 178.595 176.117 0.009 0.000 1.078 52 I CA 0.946 62.247 61.300 0.003 0.000 1.343 52 I CB -0.264 37.722 38.000 -0.022 0.000 1.046 52 I HN 0.051 nan 8.210 nan 0.000 0.405 53 S N 0.729 116.447 115.700 0.030 0.000 2.419 53 S HA -0.132 4.337 4.470 -0.000 0.000 0.233 53 S C 1.929 176.590 174.600 0.100 0.000 1.016 53 S CA 1.049 59.279 58.200 0.049 0.000 0.974 53 S CB -0.305 62.920 63.200 0.042 0.000 0.786 53 S HN 0.403 nan 8.310 nan 0.000 0.492 54 L N 1.000 122.279 121.223 0.094 0.000 2.044 54 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 54 L C 1.855 178.703 176.870 -0.037 0.000 1.075 54 L CA 1.341 56.223 54.840 0.070 0.000 0.747 54 L CB -0.232 41.848 42.059 0.036 0.000 0.903 54 L HN 0.273 nan 8.230 nan 0.000 0.435 55 L N 0.011 121.199 121.223 -0.059 0.000 2.201 55 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 55 L C 2.544 179.379 176.870 -0.057 0.000 1.105 55 L CA 0.799 55.580 54.840 -0.099 0.000 0.775 55 L CB -0.497 41.528 42.059 -0.057 0.000 0.913 55 L HN 0.235 nan 8.230 nan 0.000 0.440 56 K N 1.126 121.515 120.400 -0.018 0.000 2.152 56 K HA -0.236 4.084 4.320 -0.000 0.000 0.206 56 K C 1.934 178.556 176.600 0.036 0.000 1.048 56 K CA 1.738 58.026 56.287 0.003 0.000 0.933 56 K CB 0.020 32.530 32.500 0.018 0.000 0.721 56 K HN 0.546 nan 8.250 nan 0.000 0.447 57 E N -0.666 119.571 120.200 0.062 0.000 2.415 57 E HA 0.001 4.351 4.350 -0.000 0.000 0.197 57 E C 0.019 176.650 176.600 0.051 0.000 1.007 57 E CA 0.017 56.483 56.400 0.110 0.000 0.890 57 E CB 0.083 29.913 29.700 0.217 0.000 0.891 57 E HN 0.164 nan 8.360 nan 0.000 0.496 58 L N 2.980 124.188 121.223 -0.024 0.000 2.423 58 L HA 0.235 4.575 4.340 -0.000 0.000 0.249 58 L C -0.058 176.766 176.870 -0.077 0.000 1.276 58 L CA -0.389 54.432 54.840 -0.032 0.000 1.199 58 L CB -0.401 41.540 42.059 -0.197 0.000 1.407 58 L HN 0.157 nan 8.230 nan 0.000 0.410 59 N N 2.149 120.806 118.700 -0.071 0.000 2.485 59 N HA 0.207 4.947 4.740 -0.000 0.000 0.243 59 N C -1.205 174.034 175.510 -0.451 0.000 0.987 59 N CA -0.196 52.756 53.050 -0.164 0.000 0.940 59 N CB 0.691 39.144 38.487 -0.056 0.000 1.122 59 N HN 0.479 nan 8.380 nan 0.000 0.509 60 H N 2.822 121.561 119.070 -0.551 0.000 3.079 60 H HA 0.318 4.874 4.556 -0.000 0.000 0.356 60 H C -2.044 173.090 175.328 -0.324 0.000 1.221 60 H CA -0.969 54.682 56.048 -0.662 0.000 1.185 60 H CB 1.944 31.034 29.762 -1.120 0.000 1.882 60 H HN 0.245 nan 8.280 nan 0.000 0.543 61 P HA -0.113 nan 4.420 nan 0.000 0.221 61 P C -0.021 177.197 177.300 -0.138 0.000 1.145 61 P CA 1.016 63.897 63.100 -0.366 0.000 0.795 61 P CB 0.412 31.870 31.700 -0.403 0.000 0.775 62 N N -0.119 118.646 118.700 0.109 0.000 2.321 62 N HA 0.238 4.978 4.740 -0.000 0.000 0.242 62 N C 0.061 175.651 175.510 0.133 0.000 1.141 62 N CA 0.040 53.185 53.050 0.158 0.000 0.864 62 N CB 0.744 39.339 38.487 0.180 0.000 1.100 62 N HN 0.288 nan 8.380 nan 0.000 0.510 63 I N 0.780 121.422 120.570 0.120 0.000 2.512 63 I HA 0.199 4.369 4.170 -0.000 0.000 0.287 63 I C 0.012 176.203 176.117 0.123 0.000 1.069 63 I CA -0.957 60.426 61.300 0.139 0.000 1.056 63 I CB 2.604 40.664 38.000 0.101 0.000 1.229 63 I HN -0.340 nan 8.210 nan 0.000 0.429 64 V N 5.741 125.756 119.914 0.168 0.000 2.625 64 V HA -0.125 3.994 4.120 -0.000 0.000 0.305 64 V C 0.638 176.870 176.094 0.231 0.000 1.055 64 V CA 0.402 62.809 62.300 0.178 0.000 1.209 64 V CB -0.042 31.885 31.823 0.174 0.000 0.877 64 V HN 0.691 nan 8.190 nan 0.000 0.489 65 K N 4.943 125.443 120.400 0.166 0.000 2.258 65 K HA 0.371 4.691 4.320 -0.000 0.000 0.284 65 K C -0.478 176.159 176.600 0.062 0.000 1.051 65 K CA -0.862 55.481 56.287 0.094 0.000 0.923 65 K CB 0.943 33.460 32.500 0.028 0.000 1.046 65 K HN 0.550 nan 8.250 nan 0.000 0.474 66 L N 6.945 128.114 121.223 -0.091 0.000 2.433 66 L HA 0.115 4.455 4.340 -0.000 0.000 0.284 66 L C 0.375 177.128 176.870 -0.196 0.000 1.120 66 L CA 0.381 54.994 54.840 -0.379 0.000 0.879 66 L CB 0.181 41.998 42.059 -0.402 0.000 1.232 66 L HN 0.872 nan 8.230 nan 0.000 0.454 67 L N 2.629 123.764 121.223 -0.148 0.000 2.044 67 L HA 0.155 4.495 4.340 -0.000 0.000 0.205 67 L C 0.403 177.243 176.870 -0.049 0.000 1.075 67 L CA 0.850 55.659 54.840 -0.050 0.000 0.747 67 L CB -0.162 41.908 42.059 0.018 0.000 0.903 67 L HN 0.663 nan 8.230 nan 0.000 0.435 68 D N -2.428 117.929 120.400 -0.071 0.000 2.622 68 D HA 0.364 5.004 4.640 -0.000 0.000 0.255 68 D C -1.458 174.812 176.300 -0.050 0.000 1.246 68 D CA -0.303 53.678 54.000 -0.032 0.000 0.795 68 D CB 2.502 43.326 40.800 0.040 0.000 1.369 68 D HN -0.334 nan 8.370 nan 0.000 0.425 69 V N 2.745 122.650 119.914 -0.015 0.000 2.407 69 V HA 0.514 4.634 4.120 -0.000 0.000 0.291 69 V C -0.176 175.955 176.094 0.062 0.000 1.018 69 V CA -0.522 61.778 62.300 0.000 0.000 0.842 69 V CB 1.194 33.004 31.823 -0.022 0.000 0.996 69 V HN 0.413 nan 8.190 nan 0.000 0.426 70 I N 4.516 125.156 120.570 0.116 0.000 2.406 70 I HA 0.432 4.602 4.170 -0.000 0.000 0.290 70 I C -0.198 176.058 176.117 0.233 0.000 0.999 70 I CA -0.541 60.859 61.300 0.167 0.000 1.124 70 I CB 1.647 39.755 38.000 0.179 0.000 1.289 70 I HN 0.654 nan 8.210 nan 0.000 0.441 71 H N 5.254 124.376 119.070 0.087 0.000 2.519 71 H HA 0.427 4.983 4.556 -0.000 0.000 0.316 71 H C -1.318 174.065 175.328 0.092 0.000 1.065 71 H CA -0.170 55.917 56.048 0.064 0.000 1.264 71 H CB 1.482 31.260 29.762 0.027 0.000 1.413 71 H HN 0.561 nan 8.280 nan 0.000 0.465 72 T N 4.535 119.074 114.554 -0.024 0.000 3.071 72 T HA 0.206 4.556 4.350 -0.000 0.000 0.311 72 T C -0.394 174.278 174.700 -0.047 0.000 1.042 72 T CA -0.167 61.872 62.100 -0.102 0.000 1.028 72 T CB 0.870 69.809 68.868 0.119 0.000 1.068 72 T HN 1.050 nan 8.240 nan 0.000 0.451 73 E N 2.435 122.568 120.200 -0.113 0.000 3.229 73 E HA -0.286 4.063 4.350 -0.000 0.000 0.354 73 E C -0.141 176.499 176.600 0.066 0.000 1.487 73 E CA 1.487 57.882 56.400 -0.010 0.000 1.617 73 E CB -0.903 28.814 29.700 0.028 0.000 1.768 73 E HN 0.776 nan 8.360 nan 0.000 0.497 74 N N 2.440 121.176 118.700 0.060 0.000 2.295 74 N HA 0.130 4.870 4.740 -0.000 0.000 0.221 74 N C -0.629 174.897 175.510 0.026 0.000 1.129 74 N CA 0.428 53.513 53.050 0.059 0.000 0.836 74 N CB 0.326 38.833 38.487 0.033 0.000 1.040 74 N HN 0.189 nan 8.380 nan 0.000 0.494 75 K N -0.070 120.346 120.400 0.027 0.000 2.328 75 K HA 0.503 4.822 4.320 -0.000 0.000 0.246 75 K C -1.497 175.066 176.600 -0.062 0.000 0.955 75 K CA -0.978 55.244 56.287 -0.109 0.000 0.817 75 K CB 2.320 34.653 32.500 -0.278 0.000 1.208 75 K HN -0.050 nan 8.250 nan 0.000 0.432 76 L N 2.466 123.562 121.223 -0.212 0.000 2.372 76 L HA 0.387 4.727 4.340 -0.000 0.000 0.274 76 L C -1.812 174.929 176.870 -0.216 0.000 0.988 76 L CA -0.332 54.438 54.840 -0.116 0.000 0.833 76 L CB 0.811 42.798 42.059 -0.121 0.000 1.236 76 L HN 0.506 nan 8.230 nan 0.000 0.410 77 Y N 5.349 125.655 120.300 0.010 0.000 2.335 77 Y HA 0.495 5.045 4.550 -0.000 0.000 0.339 77 Y C -0.217 175.662 175.900 -0.034 0.000 0.987 77 Y CA -0.591 57.501 58.100 -0.012 0.000 1.140 77 Y CB 1.283 39.725 38.460 -0.031 0.000 1.173 77 Y HN 0.336 nan 8.280 nan 0.000 0.486 78 L N 5.186 126.487 121.223 0.130 0.000 2.257 78 L HA 0.392 4.731 4.340 -0.000 0.000 0.290 78 L C -0.661 176.234 176.870 0.043 0.000 1.044 78 L CA -0.927 53.925 54.840 0.021 0.000 0.810 78 L CB 0.814 42.906 42.059 0.056 0.000 1.193 78 L HN 0.351 nan 8.230 nan 0.000 0.425 79 V N 4.502 124.374 119.914 -0.071 0.000 2.334 79 V HA 0.291 4.410 4.120 -0.000 0.000 0.267 79 V C 0.006 176.054 176.094 -0.077 0.000 1.040 79 V CA -0.158 62.131 62.300 -0.019 0.000 0.866 79 V CB 0.433 32.258 31.823 0.004 0.000 1.019 79 V HN 0.384 nan 8.190 nan 0.000 0.468 80 F N 2.638 122.630 119.950 0.070 0.000 2.450 80 F HA 0.436 4.962 4.527 -0.000 0.000 0.328 80 F C 0.911 176.767 175.800 0.094 0.000 1.068 80 F CA -0.784 57.260 58.000 0.073 0.000 1.007 80 F CB 1.129 40.170 39.000 0.068 0.000 1.251 80 F HN 0.585 nan 8.300 nan 0.000 0.492 81 E N 1.369 121.745 120.200 0.293 0.000 2.390 81 E HA 0.106 4.456 4.350 -0.000 0.000 0.261 81 E C -1.438 175.294 176.600 0.221 0.000 1.076 81 E CA -0.412 56.116 56.400 0.213 0.000 0.905 81 E CB 0.852 30.639 29.700 0.145 0.000 0.984 81 E HN 0.481 nan 8.360 nan 0.000 0.427 82 F N 3.443 123.437 119.950 0.074 0.000 2.410 82 F HA 0.386 4.913 4.527 -0.000 0.000 0.349 82 F C -1.344 174.448 175.800 -0.012 0.000 1.117 82 F CA -0.761 57.250 58.000 0.018 0.000 1.104 82 F CB 0.696 39.680 39.000 -0.026 0.000 1.122 82 F HN 0.397 nan 8.300 nan 0.000 0.483 83 L N 6.186 126.884 121.223 -0.875 0.000 2.362 83 L HA 0.337 4.676 4.340 -0.000 0.000 0.271 83 L C 0.562 176.929 176.870 -0.838 0.000 1.002 83 L CA -0.435 54.100 54.840 -0.509 0.000 0.818 83 L CB 1.678 43.590 42.059 -0.244 0.000 1.298 83 L HN 0.622 nan 8.230 nan 0.000 0.420 84 H N 0.138 119.007 119.070 -0.334 0.000 2.387 84 H HA -0.026 4.530 4.556 -0.000 0.000 0.299 84 H C 0.102 175.375 175.328 -0.092 0.000 1.090 84 H CA 1.254 57.245 56.048 -0.096 0.000 1.332 84 H CB 0.043 29.854 29.762 0.081 0.000 1.386 84 H HN 0.607 nan 8.280 nan 0.000 0.516 85 Q N -0.434 119.368 119.800 0.004 0.000 2.869 85 Q HA 0.247 4.587 4.340 -0.000 0.000 0.322 85 Q C -1.705 174.264 176.000 -0.051 0.000 0.832 85 Q CA -1.022 54.777 55.803 -0.007 0.000 0.791 85 Q CB 1.655 30.436 28.738 0.072 0.000 1.412 85 Q HN 0.142 nan 8.270 nan 0.000 0.483 86 D N -0.054 120.333 120.400 -0.022 0.000 2.384 86 D HA 0.245 4.885 4.640 -0.000 0.000 0.250 86 D C 0.558 176.867 176.300 0.014 0.000 1.029 86 D CA -0.881 53.095 54.000 -0.040 0.000 0.990 86 D CB 1.065 41.841 40.800 -0.041 0.000 1.175 86 D HN 0.529 nan 8.370 nan 0.000 0.532 87 L N 0.179 121.399 121.223 -0.005 0.000 2.079 87 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 87 L C 2.028 178.992 176.870 0.157 0.000 1.081 87 L CA 1.966 56.855 54.840 0.083 0.000 0.752 87 L CB -0.843 41.234 42.059 0.030 0.000 0.896 87 L HN 0.546 nan 8.230 nan 0.000 0.433 88 K N 0.115 120.574 120.400 0.098 0.000 2.032 88 K HA -0.202 4.117 4.320 -0.000 0.000 0.209 88 K C 2.039 178.712 176.600 0.121 0.000 1.048 88 K CA 1.851 58.203 56.287 0.108 0.000 0.927 88 K CB -0.192 32.358 32.500 0.082 0.000 0.712 88 K HN 0.340 nan 8.250 nan 0.000 0.441 89 K N -0.794 119.679 120.400 0.121 0.000 2.026 89 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 89 K C 2.119 178.828 176.600 0.182 0.000 1.048 89 K CA 1.593 57.957 56.287 0.128 0.000 0.929 89 K CB -0.436 32.137 32.500 0.121 0.000 0.713 89 K HN 0.092 nan 8.250 nan 0.000 0.439 90 F N 2.000 121.985 119.950 0.059 0.000 2.043 90 F HA -0.235 4.292 4.527 -0.000 0.000 0.297 90 F C 2.221 178.065 175.800 0.073 0.000 1.121 90 F CA 1.670 59.717 58.000 0.078 0.000 1.199 90 F CB -0.375 38.691 39.000 0.110 0.000 0.968 90 F HN -0.059 nan 8.300 nan 0.000 0.478 91 M N -0.264 119.420 119.600 0.139 0.000 2.192 91 M HA -0.275 4.205 4.480 -0.000 0.000 0.259 91 M C 1.327 177.602 176.300 -0.041 0.000 1.071 91 M CA 2.093 57.401 55.300 0.012 0.000 1.082 91 M CB -0.652 32.004 32.600 0.093 0.000 1.373 91 M HN 0.099 nan 8.290 nan 0.000 0.408 92 D N 0.053 120.455 120.400 0.005 0.000 2.323 92 D HA 0.071 4.711 4.640 -0.000 0.000 0.209 92 D C 0.929 177.210 176.300 -0.031 0.000 0.973 92 D CA 0.629 54.628 54.000 -0.002 0.000 0.874 92 D CB 0.147 40.968 40.800 0.035 0.000 0.930 92 D HN 0.281 nan 8.370 nan 0.000 0.521 93 A N 0.055 122.836 122.820 -0.065 0.000 3.012 93 A HA 0.480 4.800 4.320 -0.000 0.000 0.295 93 A C 0.542 178.025 177.584 -0.169 0.000 1.338 93 A CA -0.030 51.962 52.037 -0.075 0.000 0.981 93 A CB -0.248 18.747 19.000 -0.008 0.000 1.091 93 A HN 0.046 nan 8.150 nan 0.000 0.602 94 S N -3.487 112.107 115.700 -0.177 0.000 4.183 94 S HA 0.150 4.619 4.470 -0.000 0.000 0.088 94 S C 1.281 175.793 174.600 -0.148 0.000 0.846 94 S CA 0.570 58.653 58.200 -0.195 0.000 1.052 94 S CB -1.386 61.602 63.200 -0.352 0.000 0.789 94 S HN 1.237 nan 8.310 nan 0.000 0.745 95 A N 2.258 125.013 122.820 -0.108 0.000 1.896 95 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 95 A C 1.982 179.523 177.584 -0.072 0.000 1.206 95 A CA 2.269 54.259 52.037 -0.077 0.000 0.647 95 A CB -0.836 18.133 19.000 -0.051 0.000 0.828 95 A HN 0.527 nan 8.150 nan 0.000 0.455 96 L N -0.600 120.585 121.223 -0.063 0.000 2.109 96 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 96 L C 2.671 179.505 176.870 -0.059 0.000 1.086 96 L CA 2.272 57.078 54.840 -0.056 0.000 0.760 96 L CB -0.983 41.048 42.059 -0.046 0.000 0.910 96 L HN 0.404 nan 8.230 nan 0.000 0.437 97 T N -0.705 113.808 114.554 -0.068 0.000 2.995 97 T HA 0.196 4.546 4.350 -0.000 0.000 0.269 97 T C 1.065 175.721 174.700 -0.073 0.000 1.091 97 T CA 0.689 62.748 62.100 -0.067 0.000 1.128 97 T CB -0.642 68.181 68.868 -0.074 0.000 0.891 97 T HN 0.522 nan 8.240 nan 0.000 0.492 98 G N 1.336 110.084 108.800 -0.087 0.000 2.881 98 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.681 98 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.681 98 G C -0.471 174.381 174.900 -0.079 0.000 1.567 98 G CA -0.784 44.269 45.100 -0.078 0.000 1.013 98 G HN 0.523 nan 8.290 nan 0.000 0.580 99 I N 2.395 122.936 120.570 -0.047 0.000 2.365 99 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 99 I C -1.660 174.463 176.117 0.010 0.000 1.004 99 I CA -1.887 59.407 61.300 -0.009 0.000 1.311 99 I CB 1.543 39.592 38.000 0.082 0.000 1.401 99 I HN 0.243 nan 8.210 nan 0.000 0.491 100 P HA -0.045 nan 4.420 nan 0.000 0.265 100 P C 0.607 177.914 177.300 0.012 0.000 1.193 100 P CA -0.258 62.842 63.100 0.000 0.000 0.765 100 P CB 0.638 32.333 31.700 -0.008 0.000 0.823 101 L N 7.256 128.493 121.223 0.023 0.000 2.051 101 L HA -0.150 4.190 4.340 -0.000 0.000 0.214 101 L C -0.910 175.966 176.870 0.010 0.000 1.076 101 L CA 2.602 57.474 54.840 0.054 0.000 0.758 101 L CB -1.918 40.171 42.059 0.049 0.000 0.890 101 L HN 0.434 nan 8.230 nan 0.000 0.433 102 P HA -0.166 nan 4.420 nan 0.000 0.218 102 P C 1.805 179.059 177.300 -0.077 0.000 1.148 102 P CA 1.122 64.181 63.100 -0.068 0.000 0.822 102 P CB -0.040 31.620 31.700 -0.066 0.000 0.784 103 L N -1.238 119.928 121.223 -0.095 0.000 2.131 103 L HA 0.018 4.358 4.340 -0.000 0.000 0.206 103 L C 2.081 178.812 176.870 -0.232 0.000 1.087 103 L CA 1.461 56.158 54.840 -0.237 0.000 0.767 103 L CB -0.972 40.939 42.059 -0.248 0.000 0.917 103 L HN -0.131 nan 8.230 nan 0.000 0.441 104 I N -0.475 120.089 120.570 -0.009 0.000 2.252 104 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 104 I C 2.497 178.770 176.117 0.261 0.000 1.102 104 I CA 1.349 62.755 61.300 0.176 0.000 1.385 104 I CB -0.256 37.905 38.000 0.268 0.000 1.064 104 I HN 0.302 nan 8.210 nan 0.000 0.414 105 K N 0.380 120.894 120.400 0.190 0.000 2.057 105 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 105 K C 2.368 179.130 176.600 0.269 0.000 1.050 105 K CA 1.704 58.106 56.287 0.192 0.000 0.935 105 K CB -0.080 32.333 32.500 -0.146 0.000 0.715 105 K HN 0.094 nan 8.250 nan 0.000 0.439 106 S N -0.466 115.317 115.700 0.138 0.000 2.356 106 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 106 S C 1.916 176.730 174.600 0.356 0.000 1.032 106 S CA 1.015 59.328 58.200 0.188 0.000 1.005 106 S CB -0.356 62.883 63.200 0.064 0.000 0.867 106 S HN 0.365 nan 8.310 nan 0.000 0.449 107 Y N 1.063 121.454 120.300 0.151 0.000 2.145 107 Y HA -0.000 4.550 4.550 -0.000 0.000 0.286 107 Y C 2.315 178.295 175.900 0.133 0.000 1.145 107 Y CA 0.600 58.769 58.100 0.115 0.000 1.148 107 Y CB -1.283 37.239 38.460 0.103 0.000 0.981 107 Y HN 0.303 nan 8.280 nan 0.000 0.507 108 L N -0.846 120.599 121.223 0.370 0.000 2.093 108 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 108 L C 2.280 179.298 176.870 0.247 0.000 1.085 108 L CA 1.361 56.364 54.840 0.272 0.000 0.755 108 L CB -1.026 41.153 42.059 0.200 0.000 0.904 108 L HN 0.151 nan 8.230 nan 0.000 0.435 109 F N -0.158 119.853 119.950 0.101 0.000 2.134 109 F HA -0.292 4.235 4.527 -0.000 0.000 0.299 109 F C 2.440 178.132 175.800 -0.179 0.000 1.097 109 F CA 1.781 59.602 58.000 -0.298 0.000 1.264 109 F CB 0.028 38.880 39.000 -0.247 0.000 1.001 109 F HN 0.193 nan 8.300 nan 0.000 0.479 110 Q N 0.206 120.014 119.800 0.012 0.000 2.119 110 Q HA -0.159 4.181 4.340 -0.000 0.000 0.201 110 Q C 2.240 178.181 176.000 -0.098 0.000 0.972 110 Q CA 1.584 57.348 55.803 -0.065 0.000 0.847 110 Q CB -0.216 28.549 28.738 0.045 0.000 0.903 110 Q HN 0.487 nan 8.270 nan 0.000 0.433 111 L N 0.241 121.429 121.223 -0.059 0.000 2.141 111 L HA -0.165 4.174 4.340 -0.000 0.000 0.209 111 L C 2.096 178.894 176.870 -0.120 0.000 1.094 111 L CA 0.833 55.628 54.840 -0.075 0.000 0.763 111 L CB -0.243 41.797 42.059 -0.033 0.000 0.908 111 L HN 0.249 nan 8.230 nan 0.000 0.437 112 L N -1.048 120.079 121.223 -0.160 0.000 2.313 112 L HA -0.130 4.210 4.340 -0.000 0.000 0.214 112 L C 2.508 179.218 176.870 -0.267 0.000 1.119 112 L CA 0.696 55.419 54.840 -0.195 0.000 0.809 112 L CB -0.247 41.692 42.059 -0.200 0.000 0.933 112 L HN 0.336 nan 8.230 nan 0.000 0.449 113 Q N -0.431 119.178 119.800 -0.319 0.000 2.096 113 Q HA -0.068 4.272 4.340 -0.000 0.000 0.197 113 Q C 2.313 178.111 176.000 -0.337 0.000 0.964 113 Q CA 1.269 56.903 55.803 -0.282 0.000 0.838 113 Q CB -0.211 28.399 28.738 -0.212 0.000 0.906 113 Q HN 0.554 nan 8.270 nan 0.000 0.444 114 G N 0.955 109.583 108.800 -0.286 0.000 2.408 114 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 114 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 114 G C 1.354 176.118 174.900 -0.226 0.000 1.150 114 G CA 0.406 45.292 45.100 -0.358 0.000 0.776 114 G HN 0.209 nan 8.290 nan 0.000 0.542 115 L N 1.144 122.243 121.223 -0.207 0.000 2.141 115 L HA 0.261 4.601 4.340 -0.000 0.000 0.209 115 L C 2.985 179.607 176.870 -0.414 0.000 1.094 115 L CA 1.779 56.447 54.840 -0.286 0.000 0.763 115 L CB -0.451 41.452 42.059 -0.260 0.000 0.908 115 L HN 0.220 nan 8.230 nan 0.000 0.437 116 A N -1.206 121.458 122.820 -0.260 0.000 1.898 116 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 116 A C 2.237 179.770 177.584 -0.085 0.000 1.181 116 A CA 1.548 53.486 52.037 -0.165 0.000 0.620 116 A CB -1.044 17.891 19.000 -0.108 0.000 0.819 116 A HN 0.479 nan 8.150 nan 0.000 0.442 117 F N 0.218 120.016 119.950 -0.253 0.000 2.134 117 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 117 F C 2.493 178.256 175.800 -0.062 0.000 1.097 117 F CA 1.663 59.557 58.000 -0.177 0.000 1.264 117 F CB -0.437 38.291 39.000 -0.453 0.000 1.001 117 F HN 0.305 nan 8.300 nan 0.000 0.479 118 C N -0.159 119.173 119.300 0.054 0.000 2.413 118 C HA -0.230 4.230 4.460 -0.000 0.000 0.276 118 C C 2.625 177.707 174.990 0.153 0.000 1.236 118 C CA 1.608 60.679 59.018 0.089 0.000 1.735 118 C CB -1.655 26.176 27.740 0.152 0.000 2.031 118 C HN 0.515 nan 8.230 nan 0.000 0.474 119 H N -0.639 118.448 119.070 0.028 0.000 2.524 119 H HA -0.053 4.502 4.556 -0.000 0.000 0.282 119 H C 2.152 177.455 175.328 -0.041 0.000 1.016 119 H CA 0.822 56.873 56.048 0.005 0.000 1.270 119 H CB 0.084 29.859 29.762 0.022 0.000 1.394 119 H HN 0.416 nan 8.280 nan 0.000 0.568 120 S N -0.248 115.484 115.700 0.052 0.000 2.528 120 S HA -0.037 4.433 4.470 -0.000 0.000 0.219 120 S C 0.516 174.977 174.600 -0.232 0.000 0.985 120 S CA 0.400 58.546 58.200 -0.090 0.000 0.914 120 S CB 0.108 63.212 63.200 -0.160 0.000 0.776 120 S HN 0.510 nan 8.310 nan 0.000 0.526 121 H N 0.882 119.809 119.070 -0.237 0.000 2.469 121 H HA 0.389 4.944 4.556 -0.000 0.000 0.286 121 H C -0.112 175.012 175.328 -0.339 0.000 1.106 121 H CA -0.457 55.428 56.048 -0.271 0.000 1.055 121 H CB 0.057 29.641 29.762 -0.296 0.000 1.618 121 H HN 0.055 nan 8.280 nan 0.000 0.559 122 R N 0.098 120.509 120.500 -0.149 0.000 3.264 122 R HA -0.114 4.226 4.340 -0.000 0.000 0.251 122 R C -1.161 174.998 176.300 -0.235 0.000 0.971 122 R CA 0.356 56.341 56.100 -0.191 0.000 0.658 122 R CB -2.150 28.012 30.300 -0.231 0.000 1.095 122 R HN 0.066 nan 8.270 nan 0.000 0.443 123 V N 1.873 121.743 119.914 -0.073 0.000 2.525 123 V HA 0.450 4.570 4.120 -0.000 0.000 0.299 123 V C 0.330 176.534 176.094 0.183 0.000 1.034 123 V CA -0.677 61.624 62.300 0.002 0.000 0.863 123 V CB 2.339 34.162 31.823 -0.001 0.000 0.999 123 V HN 0.180 nan 8.190 nan 0.000 0.423 124 L N 3.851 125.170 121.223 0.160 0.000 2.307 124 L HA 0.514 4.854 4.340 -0.000 0.000 0.284 124 L C 1.265 178.300 176.870 0.275 0.000 1.023 124 L CA -0.695 54.280 54.840 0.226 0.000 0.810 124 L CB 1.605 43.752 42.059 0.147 0.000 1.231 124 L HN 0.758 nan 8.230 nan 0.000 0.423 125 H N 3.782 122.992 119.070 0.232 0.000 2.372 125 H HA -0.009 4.547 4.556 -0.000 0.000 0.301 125 H C 0.993 176.378 175.328 0.094 0.000 1.065 125 H CA 1.570 57.685 56.048 0.111 0.000 1.364 125 H CB 0.542 30.274 29.762 -0.050 0.000 1.406 125 H HN 0.658 nan 8.280 nan 0.000 0.521 126 R N -0.769 119.927 120.500 0.327 0.000 3.862 126 R HA -0.216 4.124 4.340 -0.000 0.000 0.470 126 R C -0.381 176.143 176.300 0.374 0.000 0.879 126 R CA 1.499 57.791 56.100 0.320 0.000 1.508 126 R CB -1.387 29.051 30.300 0.230 0.000 2.170 126 R HN 0.378 nan 8.270 nan 0.000 0.496 127 D N -0.048 120.629 120.400 0.462 0.000 3.078 127 D HA 0.256 4.896 4.640 -0.000 0.000 0.363 127 D C -0.742 175.674 176.300 0.193 0.000 1.391 127 D CA -0.216 53.977 54.000 0.321 0.000 0.754 127 D CB 0.427 41.377 40.800 0.250 0.000 1.238 127 D HN 0.074 nan 8.370 nan 0.000 0.500 128 L N 1.688 122.906 121.223 -0.008 0.000 2.426 128 L HA 0.403 4.743 4.340 -0.000 0.000 0.271 128 L C 0.445 177.118 176.870 -0.328 0.000 1.169 128 L CA 0.323 54.959 54.840 -0.339 0.000 0.836 128 L CB 0.628 42.502 42.059 -0.308 0.000 1.112 128 L HN 0.175 nan 8.230 nan 0.000 0.465 129 K N 1.470 121.614 120.400 -0.426 0.000 2.711 129 K HA 0.348 4.668 4.320 -0.000 0.000 0.294 129 K C -2.809 173.567 176.600 -0.373 0.000 1.037 129 K CA -1.421 54.454 56.287 -0.686 0.000 0.858 129 K CB 0.876 32.975 32.500 -0.668 0.000 1.521 129 K HN -0.082 nan 8.250 nan 0.000 0.386 130 P HA -0.199 nan 4.420 nan 0.000 0.216 130 P C 0.812 178.066 177.300 -0.076 0.000 1.150 130 P CA 1.486 64.530 63.100 -0.092 0.000 0.843 130 P CB 0.139 31.856 31.700 0.028 0.000 0.787 131 Q N -0.623 119.132 119.800 -0.074 0.000 2.234 131 Q HA -0.132 4.208 4.340 -0.000 0.000 0.206 131 Q C 0.591 176.542 176.000 -0.082 0.000 0.980 131 Q CA 1.397 57.167 55.803 -0.054 0.000 0.869 131 Q CB -0.963 27.754 28.738 -0.035 0.000 0.912 131 Q HN 0.479 nan 8.270 nan 0.000 0.436 132 N N -0.728 117.901 118.700 -0.119 0.000 2.541 132 N HA 0.204 4.944 4.740 -0.000 0.000 0.297 132 N C -1.059 174.348 175.510 -0.171 0.000 1.503 132 N CA -0.019 52.954 53.050 -0.129 0.000 0.919 132 N CB 0.181 38.609 38.487 -0.097 0.000 1.305 132 N HN -0.003 nan 8.380 nan 0.000 0.501 133 L N 1.038 122.165 121.223 -0.160 0.000 2.454 133 L HA 0.449 4.789 4.340 -0.000 0.000 0.258 133 L C -0.660 176.108 176.870 -0.170 0.000 1.025 133 L CA -0.639 54.096 54.840 -0.175 0.000 0.901 133 L CB 1.149 43.104 42.059 -0.174 0.000 1.210 133 L HN 0.103 nan 8.230 nan 0.000 0.457 134 L N 4.430 125.554 121.223 -0.164 0.000 2.375 134 L HA 0.588 4.928 4.340 -0.000 0.000 0.271 134 L C 0.084 176.831 176.870 -0.205 0.000 1.107 134 L CA -0.591 54.148 54.840 -0.168 0.000 0.806 134 L CB 1.388 43.351 42.059 -0.161 0.000 1.146 134 L HN 0.509 nan 8.230 nan 0.000 0.447 135 I N -0.408 120.040 120.570 -0.203 0.000 2.689 135 I HA 0.577 4.747 4.170 -0.000 0.000 0.299 135 I C -0.908 175.142 176.117 -0.112 0.000 1.059 135 I CA -0.775 60.385 61.300 -0.233 0.000 1.055 135 I CB 2.135 39.916 38.000 -0.365 0.000 1.243 135 I HN 0.650 nan 8.210 nan 0.000 0.425 136 N N 1.283 119.931 118.700 -0.086 0.000 2.879 136 N HA 0.380 5.120 4.740 -0.000 0.000 0.329 136 N C 0.559 175.958 175.510 -0.186 0.000 1.337 136 N CA -0.063 52.967 53.050 -0.033 0.000 0.844 136 N CB 0.281 38.809 38.487 0.069 0.000 1.236 136 N HN 0.694 nan 8.380 nan 0.000 0.601 137 T N -6.648 107.717 114.554 -0.315 0.000 3.129 137 T HA 0.231 4.581 4.350 -0.000 0.000 0.251 137 T C 0.846 175.476 174.700 -0.116 0.000 1.117 137 T CA 0.657 62.605 62.100 -0.253 0.000 1.034 137 T CB -0.890 67.780 68.868 -0.329 0.000 0.968 137 T HN 0.686 nan 8.240 nan 0.000 0.526 138 E N 0.717 120.876 120.200 -0.068 0.000 2.496 138 E HA 0.548 4.898 4.350 -0.000 0.000 0.200 138 E C 1.274 177.866 176.600 -0.014 0.000 1.016 138 E CA -0.107 56.273 56.400 -0.032 0.000 0.962 138 E CB -1.051 28.644 29.700 -0.008 0.000 1.071 138 E HN 0.980 nan 8.360 nan 0.000 0.457 139 G N -0.706 108.087 108.800 -0.011 0.000 2.221 139 G HA2 0.104 4.063 3.960 -0.000 0.000 0.265 139 G HA3 0.104 4.063 3.960 -0.000 0.000 0.265 139 G C 0.471 175.451 174.900 0.134 0.000 1.041 139 G CA 0.558 45.693 45.100 0.058 0.000 0.807 139 G HN 1.617 nan 8.290 nan 0.000 0.502 140 A N -0.734 122.114 122.820 0.045 0.000 2.337 140 A HA 0.903 5.223 4.320 -0.000 0.000 0.331 140 A C -0.194 177.299 177.584 -0.151 0.000 1.137 140 A CA -0.550 51.488 52.037 0.002 0.000 0.807 140 A CB 1.666 20.657 19.000 -0.015 0.000 1.250 140 A HN 1.211 nan 8.150 nan 0.000 0.468 141 I N 0.584 121.019 120.570 -0.225 0.000 2.545 141 I HA 0.529 4.699 4.170 -0.000 0.000 0.292 141 I C -1.028 174.975 176.117 -0.190 0.000 1.040 141 I CA -0.603 60.471 61.300 -0.376 0.000 1.068 141 I CB 1.804 39.377 38.000 -0.712 0.000 1.251 141 I HN 0.713 nan 8.210 nan 0.000 0.424 142 K N 7.310 127.615 120.400 -0.158 0.000 2.422 142 K HA 0.519 4.838 4.320 -0.000 0.000 0.251 142 K C -1.395 175.164 176.600 -0.069 0.000 0.933 142 K CA -0.831 55.411 56.287 -0.075 0.000 0.798 142 K CB 2.596 35.079 32.500 -0.029 0.000 1.238 142 K HN 0.495 nan 8.250 nan 0.000 0.428 143 L N 2.216 123.428 121.223 -0.018 0.000 2.410 143 L HA 0.366 4.706 4.340 -0.000 0.000 0.273 143 L C 0.210 177.118 176.870 0.064 0.000 1.152 143 L CA 0.022 54.837 54.840 -0.041 0.000 0.855 143 L CB 0.620 42.700 42.059 0.035 0.000 1.129 143 L HN 0.769 nan 8.230 nan 0.000 0.463 144 A N 1.969 124.754 122.820 -0.057 0.000 2.530 144 A HA 0.553 4.873 4.320 -0.000 0.000 0.288 144 A C -0.556 176.999 177.584 -0.048 0.000 1.172 144 A CA -0.455 51.592 52.037 0.017 0.000 0.733 144 A CB 1.261 20.218 19.000 -0.071 0.000 1.320 144 A HN 0.716 nan 8.150 nan 0.000 0.419 145 D N -1.210 119.197 120.400 0.011 0.000 3.082 145 D HA -0.154 4.486 4.640 -0.000 0.000 0.234 145 D C -0.814 175.426 176.300 -0.100 0.000 1.159 145 D CA 0.657 54.654 54.000 -0.006 0.000 0.875 145 D CB -1.216 39.554 40.800 -0.050 0.000 0.946 145 D HN 0.424 nan 8.370 nan 0.000 0.411 146 F N 0.186 120.113 119.950 -0.038 0.000 2.843 146 F HA 0.339 4.865 4.527 -0.000 0.000 0.290 146 F C 2.212 177.940 175.800 -0.120 0.000 1.221 146 F CA 0.267 58.155 58.000 -0.186 0.000 1.413 146 F CB 0.240 39.208 39.000 -0.053 0.000 1.019 146 F HN 0.325 nan 8.300 nan 0.000 0.512 147 G N -0.463 108.339 108.800 0.003 0.000 2.509 147 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.218 147 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.218 147 G C 1.127 176.016 174.900 -0.018 0.000 1.124 147 G CA 0.545 45.658 45.100 0.022 0.000 0.776 147 G HN 0.326 nan 8.290 nan 0.000 0.547 148 L N 0.552 121.728 121.223 -0.078 0.000 3.014 148 L HA 0.520 4.860 4.340 -0.000 0.000 0.263 148 L C 1.297 178.112 176.870 -0.091 0.000 1.207 148 L CA -0.529 54.267 54.840 -0.072 0.000 1.017 148 L CB 0.485 42.540 42.059 -0.007 0.000 1.360 148 L HN 0.144 nan 8.230 nan 0.000 0.560 149 A N 0.348 123.130 122.820 -0.063 0.000 2.406 149 A HA 0.493 4.813 4.320 -0.000 0.000 0.243 149 A C 0.388 177.986 177.584 0.023 0.000 1.082 149 A CA -0.111 51.932 52.037 0.010 0.000 0.786 149 A CB 0.215 19.305 19.000 0.150 0.000 1.029 149 A HN 0.319 nan 8.150 nan 0.000 0.495 150 R N 0.607 121.133 120.500 0.044 0.000 2.388 150 R HA 0.558 4.898 4.340 -0.000 0.000 0.314 150 R C -0.901 175.411 176.300 0.020 0.000 0.959 150 R CA -0.041 56.071 56.100 0.020 0.000 0.851 150 R CB 1.079 31.380 30.300 0.001 0.000 1.168 150 R HN 0.908 nan 8.270 nan 0.000 0.472 151 A N 3.575 126.413 122.820 0.030 0.000 2.343 151 A HA 0.538 4.857 4.320 -0.000 0.000 0.316 151 A C -0.261 177.375 177.584 0.086 0.000 1.104 151 A CA -0.557 51.451 52.037 -0.048 0.000 0.768 151 A CB 0.138 19.132 19.000 -0.011 0.000 1.213 151 A HN 0.927 nan 8.150 nan 0.000 0.456 152 F N 1.119 121.082 119.950 0.021 0.000 3.034 152 F HA -0.270 4.257 4.527 -0.000 0.000 0.286 152 F C 1.652 177.449 175.800 -0.006 0.000 0.804 152 F CA 1.467 59.471 58.000 0.006 0.000 1.161 152 F CB -1.334 37.669 39.000 0.006 0.000 1.317 152 F HN 1.831 nan 8.300 nan 0.000 0.453 153 G N -1.356 107.498 108.800 0.089 0.000 2.176 153 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.253 153 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.253 153 G C -0.096 174.824 174.900 0.033 0.000 0.979 153 G CA -0.065 45.058 45.100 0.038 0.000 0.641 153 G HN 0.750 nan 8.290 nan 0.000 0.530 154 V N 1.681 121.640 119.914 0.075 0.000 2.398 154 V HA 0.550 4.670 4.120 -0.000 0.000 0.286 154 V C -2.045 174.071 176.094 0.036 0.000 1.026 154 V CA -1.856 60.475 62.300 0.051 0.000 0.868 154 V CB 1.956 33.823 31.823 0.074 0.000 0.982 154 V HN 0.086 nan 8.190 nan 0.000 0.443 155 P HA 0.228 nan 4.420 nan 0.000 0.281 155 P C 0.758 178.059 177.300 0.002 0.000 1.252 155 P CA -0.130 62.958 63.100 -0.020 0.000 0.778 155 P CB 1.267 32.929 31.700 -0.064 0.000 0.895 156 V N 3.403 123.325 119.914 0.013 0.000 2.667 156 V HA -0.042 4.078 4.120 -0.000 0.000 0.252 156 V C 1.004 177.109 176.094 0.018 0.000 1.065 156 V CA 1.534 63.857 62.300 0.038 0.000 1.083 156 V CB -0.728 31.133 31.823 0.063 0.000 0.692 156 V HN 0.594 nan 8.190 nan 0.000 0.468 157 R N -1.000 119.487 120.500 -0.023 0.000 2.664 157 R HA 0.393 4.733 4.340 -0.000 0.000 0.260 157 R C -0.769 175.466 176.300 -0.108 0.000 1.062 157 R CA -0.174 55.902 56.100 -0.040 0.000 0.902 157 R CB 1.975 32.262 30.300 -0.021 0.000 1.258 157 R HN 0.280 nan 8.270 nan 0.000 0.465 158 T N -1.739 112.749 114.554 -0.110 0.000 2.934 158 T HA 0.322 4.671 4.350 -0.000 0.000 0.283 158 T C 1.096 175.736 174.700 -0.100 0.000 1.005 158 T CA -0.639 61.360 62.100 -0.169 0.000 1.041 158 T CB 0.821 69.610 68.868 -0.131 0.000 1.042 158 T HN 0.532 nan 8.240 nan 0.000 0.505 159 Y N 0.310 120.611 120.300 0.003 0.000 2.145 159 Y HA -0.158 4.392 4.550 -0.000 0.000 0.286 159 Y C 3.353 179.252 175.900 -0.003 0.000 1.145 159 Y CA 1.285 59.390 58.100 0.007 0.000 1.148 159 Y CB -0.711 37.757 38.460 0.013 0.000 0.981 159 Y HN 0.921 nan 8.280 nan 0.000 0.507 160 T N -0.906 113.724 114.554 0.125 0.000 2.899 160 T HA -0.406 3.944 4.350 -0.000 0.000 0.254 160 T C 1.229 175.999 174.700 0.116 0.000 1.020 160 T CA 2.693 64.812 62.100 0.031 0.000 1.167 160 T CB -0.645 68.139 68.868 -0.141 0.000 0.826 160 T HN 0.655 nan 8.240 nan 0.000 0.493 161 H N -1.207 117.899 119.070 0.060 0.000 2.545 161 H HA 0.326 4.882 4.556 -0.000 0.000 0.283 161 H C 0.710 176.058 175.328 0.033 0.000 0.997 161 H CA 0.099 56.167 56.048 0.034 0.000 1.269 161 H CB 0.406 30.178 29.762 0.017 0.000 1.451 161 H HN 0.305 nan 8.280 nan 0.000 0.508 162 E N 1.954 122.262 120.200 0.180 0.000 2.232 162 E HA 0.102 4.452 4.350 -0.000 0.000 0.296 162 E C -0.891 175.775 176.600 0.110 0.000 1.372 162 E CA -0.177 56.294 56.400 0.118 0.000 1.527 162 E CB 0.281 30.044 29.700 0.104 0.000 1.424 162 E HN 0.110 nan 8.360 nan 0.000 0.485 163 V N 2.963 122.920 119.914 0.071 0.000 2.381 163 V HA -0.007 4.113 4.120 -0.000 0.000 0.257 163 V C 1.199 177.290 176.094 -0.006 0.000 1.057 163 V CA -0.155 62.159 62.300 0.023 0.000 1.013 163 V CB -0.178 31.645 31.823 0.000 0.000 1.069 163 V HN 0.256 nan 8.190 nan 0.000 0.484 164 V N 3.482 123.394 119.914 -0.004 0.000 2.403 164 V HA 0.205 4.325 4.120 -0.000 0.000 0.145 164 V C 0.909 176.967 176.094 -0.061 0.000 0.956 164 V CA 0.472 62.763 62.300 -0.015 0.000 1.390 164 V CB -0.196 31.640 31.823 0.022 0.000 0.853 164 V HN 0.708 nan 8.190 nan 0.000 0.427 165 T N -0.852 113.675 114.554 -0.046 0.000 2.885 165 T HA 0.606 4.956 4.350 -0.000 0.000 0.285 165 T C -0.164 174.519 174.700 -0.029 0.000 1.019 165 T CA -0.557 61.479 62.100 -0.108 0.000 1.010 165 T CB 1.170 69.997 68.868 -0.069 0.000 1.022 165 T HN 0.391 nan 8.240 nan 0.000 0.466 166 L N 2.901 124.072 121.223 -0.087 0.000 2.728 166 L HA 0.261 4.600 4.340 -0.000 0.000 0.238 166 L C 1.280 178.249 176.870 0.164 0.000 1.143 166 L CA -0.409 54.432 54.840 0.002 0.000 0.937 166 L CB 0.057 42.089 42.059 -0.044 0.000 1.225 166 L HN 0.656 nan 8.230 nan 0.000 0.507 167 W N -0.249 121.055 121.300 0.006 0.000 2.525 167 W HA -0.096 4.564 4.660 -0.000 0.000 0.259 167 W C 1.327 177.642 176.519 -0.340 0.000 1.253 167 W CA 0.639 57.868 57.345 -0.194 0.000 1.262 167 W CB -0.443 28.781 29.460 -0.394 0.000 1.122 167 W HN 0.264 nan 8.180 nan 0.000 0.607 168 Y N -1.162 119.369 120.300 0.384 0.000 2.500 168 Y HA 0.261 4.811 4.550 -0.000 0.000 0.246 168 Y C 1.162 177.264 175.900 0.338 0.000 1.146 168 Y CA -0.915 57.411 58.100 0.376 0.000 1.230 168 Y CB -0.540 38.087 38.460 0.277 0.000 1.214 168 Y HN -0.362 nan 8.280 nan 0.000 0.526 169 R N 2.221 122.874 120.500 0.254 0.000 2.449 169 R HA 0.438 4.778 4.340 -0.000 0.000 0.296 169 R C 0.428 176.596 176.300 -0.220 0.000 1.047 169 R CA 0.046 56.157 56.100 0.017 0.000 1.018 169 R CB 0.300 30.529 30.300 -0.118 0.000 0.962 169 R HN 0.245 nan 8.270 nan 0.000 0.428 170 A N 6.523 129.116 122.820 -0.379 0.000 2.492 170 A HA 0.141 4.460 4.320 -0.000 0.000 0.236 170 A C -1.507 175.621 177.584 -0.761 0.000 1.078 170 A CA -0.962 50.494 52.037 -0.968 0.000 0.773 170 A CB 0.001 18.715 19.000 -0.476 0.000 1.023 170 A HN 0.821 nan 8.150 nan 0.000 0.504 171 P HA -0.126 nan 4.420 nan 0.000 0.225 171 P C 0.884 178.153 177.300 -0.052 0.000 1.156 171 P CA 1.257 64.124 63.100 -0.388 0.000 0.787 171 P CB 0.144 31.688 31.700 -0.260 0.000 0.802 172 E N 0.566 120.766 120.200 0.001 0.000 2.208 172 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 172 E C 2.103 178.737 176.600 0.056 0.000 0.988 172 E CA 0.672 57.213 56.400 0.235 0.000 0.828 172 E CB -1.028 28.863 29.700 0.318 0.000 0.763 172 E HN 0.292 nan 8.360 nan 0.000 0.478 173 I N 1.078 121.562 120.570 -0.144 0.000 2.233 173 I HA -0.217 3.952 4.170 -0.000 0.000 0.243 173 I C 2.646 178.690 176.117 -0.121 0.000 1.093 173 I CA 0.780 61.932 61.300 -0.247 0.000 1.380 173 I CB -0.215 37.530 38.000 -0.425 0.000 1.067 173 I HN 0.031 nan 8.210 nan 0.000 0.413 174 L N 0.219 121.358 121.223 -0.140 0.000 2.127 174 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 174 L C 2.039 178.891 176.870 -0.030 0.000 1.089 174 L CA 1.208 55.985 54.840 -0.106 0.000 0.757 174 L CB -0.301 41.661 42.059 -0.162 0.000 0.899 174 L HN 0.297 nan 8.230 nan 0.000 0.434 175 L N -0.475 120.758 121.223 0.016 0.000 2.629 175 L HA 0.175 4.515 4.340 -0.000 0.000 0.230 175 L C 1.382 178.290 176.870 0.064 0.000 1.151 175 L CA 0.276 55.155 54.840 0.066 0.000 0.924 175 L CB -0.277 41.833 42.059 0.086 0.000 1.137 175 L HN 0.418 nan 8.230 nan 0.000 0.457 176 G N -0.107 108.726 108.800 0.055 0.000 2.168 176 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.257 176 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.257 176 G C 0.525 175.481 174.900 0.093 0.000 0.997 176 G CA 0.286 45.427 45.100 0.069 0.000 0.708 176 G HN 0.446 nan 8.290 nan 0.000 0.520 177 C N 0.341 119.723 119.300 0.137 0.000 2.538 177 C HA 0.314 4.774 4.460 -0.000 0.000 0.408 177 C C 1.973 177.046 174.990 0.137 0.000 1.421 177 C CA 0.861 59.986 59.018 0.178 0.000 1.642 177 C CB -0.210 27.701 27.740 0.285 0.000 2.553 177 C HN 0.557 nan 8.230 nan 0.000 0.604 178 K N 3.180 123.523 120.400 -0.095 0.000 2.444 178 K HA 0.046 4.366 4.320 -0.000 0.000 0.193 178 K C -0.221 175.944 176.600 -0.725 0.000 1.024 178 K CA 1.013 57.038 56.287 -0.436 0.000 1.077 178 K CB 0.167 32.280 32.500 -0.645 0.000 0.833 178 K HN 0.877 nan 8.250 nan 0.000 0.517 179 Y N -0.544 119.793 120.300 0.061 0.000 2.706 179 Y HA 0.118 4.668 4.550 -0.000 0.000 0.255 179 Y C 0.040 175.964 175.900 0.039 0.000 1.163 179 Y CA -1.666 56.438 58.100 0.006 0.000 1.174 179 Y CB -0.532 37.947 38.460 0.032 0.000 1.200 179 Y HN -0.003 nan 8.280 nan 0.000 0.544 180 Y N -0.869 119.511 120.300 0.133 0.000 2.607 180 Y HA 0.448 4.998 4.550 -0.000 0.000 0.348 180 Y C 0.589 176.539 175.900 0.083 0.000 1.261 180 Y CA -0.117 58.054 58.100 0.118 0.000 1.480 180 Y CB 0.468 38.989 38.460 0.101 0.000 1.358 180 Y HN 0.012 nan 8.280 nan 0.000 0.630 181 S N -0.594 115.281 115.700 0.292 0.000 3.888 181 S HA 0.165 4.635 4.470 -0.000 0.000 0.307 181 S C 1.186 175.849 174.600 0.104 0.000 1.122 181 S CA -0.073 58.202 58.200 0.125 0.000 1.197 181 S CB 0.252 63.473 63.200 0.036 0.000 1.533 181 S HN 1.009 nan 8.310 nan 0.000 0.696 182 T N 1.103 115.613 114.554 -0.073 0.000 2.849 182 T HA -0.030 4.320 4.350 -0.000 0.000 0.270 182 T C 1.802 176.470 174.700 -0.053 0.000 1.066 182 T CA 1.782 63.700 62.100 -0.304 0.000 1.130 182 T CB -1.023 67.442 68.868 -0.671 0.000 0.864 182 T HN 0.760 nan 8.240 nan 0.000 0.481 183 A N 2.120 124.976 122.820 0.061 0.000 1.978 183 A HA 0.013 4.333 4.320 -0.000 0.000 0.220 183 A C 2.767 180.471 177.584 0.199 0.000 1.170 183 A CA 1.966 54.087 52.037 0.139 0.000 0.636 183 A CB -1.270 17.800 19.000 0.116 0.000 0.810 183 A HN 0.902 nan 8.150 nan 0.000 0.448 184 V N -1.575 118.448 119.914 0.182 0.000 2.380 184 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 184 V C 1.760 178.014 176.094 0.267 0.000 1.063 184 V CA 2.583 64.993 62.300 0.182 0.000 1.055 184 V CB -0.945 30.945 31.823 0.111 0.000 0.657 184 V HN 0.445 nan 8.190 nan 0.000 0.455 185 D N 0.399 120.964 120.400 0.276 0.000 2.144 185 D HA -0.048 4.592 4.640 -0.000 0.000 0.200 185 D C 2.235 178.695 176.300 0.268 0.000 0.978 185 D CA 1.438 55.612 54.000 0.290 0.000 0.833 185 D CB -0.137 40.889 40.800 0.377 0.000 0.961 185 D HN 0.423 nan 8.370 nan 0.000 0.470 186 I N 0.631 121.371 120.570 0.284 0.000 2.286 186 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 186 I C 2.322 178.577 176.117 0.230 0.000 1.115 186 I CA 0.739 62.175 61.300 0.227 0.000 1.392 186 I CB -0.934 37.195 38.000 0.215 0.000 1.065 186 I HN 0.290 nan 8.210 nan 0.000 0.418 187 W N 2.044 123.413 121.300 0.116 0.000 2.355 187 W HA -0.209 4.451 4.660 -0.000 0.000 0.309 187 W C 2.549 179.166 176.519 0.164 0.000 1.206 187 W CA 1.761 59.172 57.345 0.109 0.000 1.284 187 W CB -0.416 29.082 29.460 0.064 0.000 1.145 187 W HN 0.089 nan 8.180 nan 0.000 0.502 188 S N 1.540 117.493 115.700 0.421 0.000 2.374 188 S HA -0.230 4.240 4.470 -0.000 0.000 0.227 188 S C 1.992 176.729 174.600 0.228 0.000 1.037 188 S CA 1.691 60.115 58.200 0.373 0.000 1.024 188 S CB -0.855 62.515 63.200 0.284 0.000 0.861 188 S HN 0.277 nan 8.310 nan 0.000 0.456 189 L N 0.827 122.140 121.223 0.151 0.000 2.141 189 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 189 L C 2.659 179.613 176.870 0.140 0.000 1.094 189 L CA 1.100 56.011 54.840 0.118 0.000 0.763 189 L CB -0.952 41.160 42.059 0.088 0.000 0.908 189 L HN 0.453 nan 8.230 nan 0.000 0.437 190 G N -1.042 107.797 108.800 0.065 0.000 2.408 190 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 190 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 190 G C 1.549 176.441 174.900 -0.013 0.000 1.150 190 G CA 0.886 45.993 45.100 0.013 0.000 0.776 190 G HN 0.430 nan 8.290 nan 0.000 0.542 191 C N 0.213 119.497 119.300 -0.027 0.000 2.450 191 C HA 0.213 4.673 4.460 -0.000 0.000 0.279 191 C C 2.741 177.822 174.990 0.152 0.000 1.335 191 C CA 0.046 59.090 59.018 0.044 0.000 1.749 191 C CB -0.825 27.017 27.740 0.169 0.000 1.963 191 C HN 0.445 nan 8.230 nan 0.000 0.501 192 I N 0.122 120.844 120.570 0.252 0.000 2.500 192 I HA -0.110 4.060 4.170 -0.000 0.000 0.252 192 I C 2.356 178.603 176.117 0.217 0.000 1.142 192 I CA 1.137 62.584 61.300 0.245 0.000 1.451 192 I CB -0.447 37.655 38.000 0.169 0.000 1.093 192 I HN 0.242 nan 8.210 nan 0.000 0.430 193 F N 2.263 122.236 119.950 0.039 0.000 2.186 193 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 193 F C 2.313 178.089 175.800 -0.041 0.000 1.090 193 F CA 1.128 59.139 58.000 0.017 0.000 1.307 193 F CB -0.590 38.400 39.000 -0.016 0.000 1.019 193 F HN -0.008 nan 8.300 nan 0.000 0.489 194 A N 0.233 122.879 122.820 -0.290 0.000 1.840 194 A HA -0.175 4.145 4.320 -0.000 0.000 0.214 194 A C 2.276 179.683 177.584 -0.294 0.000 1.198 194 A CA 1.392 53.141 52.037 -0.479 0.000 0.608 194 A CB -1.207 17.544 19.000 -0.415 0.000 0.839 194 A HN 0.487 nan 8.150 nan 0.000 0.443 195 E N -0.529 119.578 120.200 -0.155 0.000 2.114 195 E HA -0.270 4.080 4.350 -0.000 0.000 0.199 195 E C 2.046 178.618 176.600 -0.047 0.000 1.008 195 E CA 1.755 58.100 56.400 -0.092 0.000 0.810 195 E CB -0.234 29.479 29.700 0.022 0.000 0.739 195 E HN 0.651 nan 8.360 nan 0.000 0.456 196 M N -0.126 119.485 119.600 0.017 0.000 2.065 196 M HA -0.214 4.266 4.480 -0.000 0.000 0.259 196 M C 2.414 178.708 176.300 -0.010 0.000 1.071 196 M CA 1.505 56.848 55.300 0.072 0.000 1.109 196 M CB -0.383 32.333 32.600 0.192 0.000 1.313 196 M HN 0.099 nan 8.290 nan 0.000 0.408 197 V N 0.379 120.240 119.914 -0.090 0.000 2.324 197 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 197 V C 2.514 178.517 176.094 -0.153 0.000 1.060 197 V CA 2.440 64.654 62.300 -0.144 0.000 1.042 197 V CB -1.307 30.334 31.823 -0.302 0.000 0.650 197 V HN 0.710 nan 8.190 nan 0.000 0.450 198 T N -3.107 111.336 114.554 -0.184 0.000 3.044 198 T HA 0.211 4.561 4.350 -0.000 0.000 0.250 198 T C 1.449 176.071 174.700 -0.131 0.000 1.081 198 T CA 1.514 63.509 62.100 -0.175 0.000 1.040 198 T CB 0.357 69.090 68.868 -0.226 0.000 0.962 198 T HN 0.820 nan 8.240 nan 0.000 0.506 199 R N 0.292 120.731 120.500 -0.101 0.000 3.840 199 R HA -0.161 4.179 4.340 -0.000 0.000 0.464 199 R C 0.428 176.681 176.300 -0.079 0.000 0.986 199 R CA 1.636 57.693 56.100 -0.072 0.000 1.305 199 R CB -2.834 27.422 30.300 -0.073 0.000 1.950 199 R HN 0.742 nan 8.270 nan 0.000 0.526 200 R N -0.626 119.800 120.500 -0.124 0.000 2.803 200 R HA 0.819 5.159 4.340 -0.000 0.000 0.276 200 R C 0.189 176.359 176.300 -0.217 0.000 0.978 200 R CA -0.339 55.665 56.100 -0.160 0.000 0.939 200 R CB 2.150 32.338 30.300 -0.186 0.000 1.179 200 R HN 0.632 nan 8.270 nan 0.000 0.472 201 A N 2.381 125.025 122.820 -0.293 0.000 2.492 201 A HA 0.049 4.369 4.320 -0.000 0.000 0.254 201 A C 1.023 178.286 177.584 -0.536 0.000 1.091 201 A CA -0.325 51.455 52.037 -0.428 0.000 0.768 201 A CB 0.194 18.733 19.000 -0.768 0.000 1.028 201 A HN 0.766 nan 8.150 nan 0.000 0.498 202 L N 2.761 123.681 121.223 -0.504 0.000 2.012 202 L HA -0.007 4.332 4.340 -0.000 0.000 0.210 202 L C 0.575 176.866 176.870 -0.965 0.000 1.073 202 L CA 1.976 56.397 54.840 -0.699 0.000 0.748 202 L CB -0.455 41.198 42.059 -0.677 0.000 0.891 202 L HN 0.652 nan 8.230 nan 0.000 0.431 203 F N -0.069 119.630 119.950 -0.418 0.000 2.438 203 F HA 0.367 4.894 4.527 -0.000 0.000 0.315 203 F C -1.869 173.535 175.800 -0.659 0.000 1.258 203 F CA -1.876 55.922 58.000 -0.338 0.000 1.180 203 F CB 0.061 39.006 39.000 -0.093 0.000 1.412 203 F HN -0.014 nan 8.300 nan 0.000 0.544 204 P HA -0.027 nan 4.420 nan 0.000 0.272 204 P C 0.836 178.146 177.300 0.016 0.000 1.542 204 P CA 0.277 62.861 63.100 -0.859 0.000 0.846 204 P CB -0.224 31.172 31.700 -0.506 0.000 1.782 205 G N 0.536 109.545 108.800 0.348 0.000 2.503 205 G HA2 0.111 4.071 3.960 -0.000 0.000 0.257 205 G HA3 0.111 4.071 3.960 -0.000 0.000 0.257 205 G C 0.216 175.414 174.900 0.497 0.000 1.214 205 G CA -0.458 44.906 45.100 0.441 0.000 0.839 205 G HN 0.067 nan 8.290 nan 0.000 0.559 206 D N -0.197 120.350 120.400 0.245 0.000 2.006 206 D HA 0.197 4.837 4.640 -0.000 0.000 0.304 206 D C 0.750 177.099 176.300 0.083 0.000 1.101 206 D CA 0.263 54.346 54.000 0.140 0.000 0.903 206 D CB -0.260 40.590 40.800 0.083 0.000 1.058 206 D HN 0.367 nan 8.370 nan 0.000 0.361 207 S N -1.516 114.208 115.700 0.040 0.000 2.568 207 S HA 0.371 4.841 4.470 -0.000 0.000 0.293 207 S C 0.277 174.891 174.600 0.023 0.000 1.089 207 S CA -0.207 58.001 58.200 0.013 0.000 0.945 207 S CB 1.584 64.772 63.200 -0.020 0.000 1.077 207 S HN 0.383 nan 8.310 nan 0.000 0.485 208 E N 1.753 121.959 120.200 0.010 0.000 4.239 208 E HA -0.334 4.016 4.350 -0.000 0.000 0.203 208 E C 1.082 177.718 176.600 0.061 0.000 1.320 208 E CA 3.165 59.573 56.400 0.014 0.000 2.188 208 E CB -1.859 27.846 29.700 0.008 0.000 1.910 208 E HN 0.714 nan 8.360 nan 0.000 0.267 209 I N -0.954 119.665 120.570 0.081 0.000 2.072 209 I HA -0.152 4.018 4.170 -0.000 0.000 0.235 209 I C 2.355 178.616 176.117 0.241 0.000 1.058 209 I CA 1.802 63.200 61.300 0.163 0.000 1.320 209 I CB -0.965 37.044 38.000 0.015 0.000 1.047 209 I HN 0.239 nan 8.210 nan 0.000 0.397 210 D N 0.826 121.278 120.400 0.086 0.000 2.177 210 D HA -0.329 4.311 4.640 -0.000 0.000 0.189 210 D C 2.129 178.568 176.300 0.231 0.000 1.002 210 D CA 2.318 56.396 54.000 0.130 0.000 0.845 210 D CB -0.265 40.585 40.800 0.083 0.000 0.960 210 D HN 0.382 nan 8.370 nan 0.000 0.447 211 Q N 0.065 119.961 119.800 0.159 0.000 2.124 211 Q HA -0.221 4.119 4.340 -0.000 0.000 0.215 211 Q C 2.312 178.312 176.000 -0.001 0.000 1.015 211 Q CA 1.848 57.725 55.803 0.123 0.000 0.890 211 Q CB -0.943 27.847 28.738 0.087 0.000 0.966 211 Q HN 0.570 nan 8.270 nan 0.000 0.412 212 L N -1.128 120.032 121.223 -0.104 0.000 2.083 212 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 212 L C 1.771 178.134 176.870 -0.844 0.000 1.083 212 L CA 1.215 55.739 54.840 -0.526 0.000 0.752 212 L CB -0.169 41.473 42.059 -0.695 0.000 0.899 212 L HN 0.298 nan 8.230 nan 0.000 0.433 213 F N -1.055 118.649 119.950 -0.409 0.000 2.293 213 F HA -0.043 4.483 4.527 -0.000 0.000 0.297 213 F C 2.603 178.429 175.800 0.042 0.000 1.089 213 F CA 0.392 58.276 58.000 -0.194 0.000 1.377 213 F CB -0.586 38.396 39.000 -0.030 0.000 1.051 213 F HN -0.064 nan 8.300 nan 0.000 0.511 214 R N 1.093 121.722 120.500 0.214 0.000 2.127 214 R HA -0.112 4.228 4.340 -0.000 0.000 0.238 214 R C 1.994 178.491 176.300 0.328 0.000 1.134 214 R CA 1.348 57.589 56.100 0.234 0.000 0.975 214 R CB -0.841 29.598 30.300 0.232 0.000 0.865 214 R HN 0.326 nan 8.270 nan 0.000 0.447 215 I N -1.024 119.678 120.570 0.220 0.000 2.406 215 I HA -0.168 4.002 4.170 -0.000 0.000 0.249 215 I C 2.054 178.473 176.117 0.505 0.000 1.122 215 I CA 0.746 62.207 61.300 0.268 0.000 1.431 215 I CB -0.322 37.624 38.000 -0.090 0.000 1.087 215 I HN 0.043 nan 8.210 nan 0.000 0.424 216 F N 1.243 121.314 119.950 0.202 0.000 2.146 216 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 216 F C 2.534 178.516 175.800 0.303 0.000 1.096 216 F CA 0.539 58.687 58.000 0.247 0.000 1.275 216 F CB -0.184 38.885 39.000 0.116 0.000 1.008 216 F HN -0.046 nan 8.300 nan 0.000 0.480 217 R N -0.444 120.302 120.500 0.411 0.000 2.316 217 R HA -0.041 4.298 4.340 -0.000 0.000 0.202 217 R C 1.348 177.683 176.300 0.057 0.000 1.029 217 R CA 1.178 57.292 56.100 0.022 0.000 1.018 217 R CB -0.326 29.863 30.300 -0.185 0.000 0.888 217 R HN 0.234 nan 8.270 nan 0.000 0.471 218 T N -0.180 114.502 114.554 0.212 0.000 3.056 218 T HA 0.192 4.542 4.350 -0.000 0.000 0.243 218 T C 1.474 176.279 174.700 0.175 0.000 0.995 218 T CA 0.184 62.391 62.100 0.177 0.000 1.091 218 T CB 0.393 69.403 68.868 0.237 0.000 0.990 218 T HN 0.058 nan 8.240 nan 0.000 0.464 219 L N 0.823 122.201 121.223 0.258 0.000 2.693 219 L HA 0.442 4.782 4.340 -0.000 0.000 0.235 219 L C 0.995 178.003 176.870 0.230 0.000 1.127 219 L CA -0.254 54.666 54.840 0.133 0.000 0.914 219 L CB -0.070 41.992 42.059 0.005 0.000 1.193 219 L HN 0.426 nan 8.230 nan 0.000 0.502 220 G N 0.597 109.569 108.800 0.287 0.000 2.777 220 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 220 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 220 G C -0.188 174.775 174.900 0.106 0.000 1.177 220 G CA -0.785 44.453 45.100 0.229 0.000 0.775 220 G HN -0.032 nan 8.290 nan 0.000 0.613 221 T N 5.431 119.902 114.554 -0.139 0.000 2.765 221 T HA 0.411 4.760 4.350 -0.000 0.000 0.284 221 T C -0.969 173.423 174.700 -0.513 0.000 0.946 221 T CA 0.389 62.042 62.100 -0.745 0.000 1.185 221 T CB 0.796 69.335 68.868 -0.548 0.000 0.887 221 T HN 0.667 nan 8.240 nan 0.000 0.532 222 P HA 0.216 nan 4.420 nan 0.000 0.269 222 P C -0.689 176.477 177.300 -0.224 0.000 1.215 222 P CA -0.311 62.561 63.100 -0.380 0.000 0.780 222 P CB 0.802 32.153 31.700 -0.582 0.000 0.898 223 D N -0.894 119.450 120.400 -0.092 0.000 2.714 223 D HA 0.201 4.841 4.640 -0.000 0.000 0.278 223 D C 0.698 176.959 176.300 -0.064 0.000 1.102 223 D CA -0.639 53.303 54.000 -0.097 0.000 1.108 223 D CB 0.267 41.035 40.800 -0.053 0.000 1.444 223 D HN 0.094 nan 8.370 nan 0.000 0.568 224 E N -0.541 119.607 120.200 -0.088 0.000 2.409 224 E HA -0.018 4.331 4.350 -0.000 0.000 0.198 224 E C 1.758 178.367 176.600 0.015 0.000 1.024 224 E CA 0.318 56.681 56.400 -0.062 0.000 0.861 224 E CB 0.080 29.726 29.700 -0.089 0.000 0.788 224 E HN 0.351 nan 8.360 nan 0.000 0.521 225 V N 0.723 120.655 119.914 0.031 0.000 2.331 225 V HA -0.158 3.961 4.120 -0.000 0.000 0.242 225 V C 2.521 178.674 176.094 0.099 0.000 1.034 225 V CA 1.534 63.866 62.300 0.053 0.000 1.027 225 V CB -0.337 31.510 31.823 0.040 0.000 0.667 225 V HN 0.224 nan 8.190 nan 0.000 0.457 226 V N -3.833 116.158 119.914 0.128 0.000 2.719 226 V HA -0.009 4.110 4.120 -0.000 0.000 0.252 226 V C 0.800 177.066 176.094 0.287 0.000 1.065 226 V CA 0.804 63.218 62.300 0.190 0.000 1.086 226 V CB -0.111 31.834 31.823 0.203 0.000 0.700 226 V HN 0.577 nan 8.190 nan 0.000 0.467 227 W N 2.293 123.611 121.300 0.031 0.000 2.481 227 W HA 0.618 5.278 4.660 -0.000 0.000 0.285 227 W C -3.381 173.123 176.519 -0.025 0.000 1.017 227 W CA -3.441 53.918 57.345 0.024 0.000 1.499 227 W CB 1.009 30.470 29.460 0.001 0.000 1.381 227 W HN 0.107 nan 8.180 nan 0.000 0.390 228 P HA 0.264 nan 4.420 nan 0.000 0.266 228 P C 0.794 178.105 177.300 0.018 0.000 1.215 228 P CA 1.958 65.119 63.100 0.102 0.000 0.763 228 P CB 0.828 32.589 31.700 0.102 0.000 0.806 229 G N 1.738 110.443 108.800 -0.158 0.000 2.201 229 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.212 229 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.212 229 G C 0.904 175.506 174.900 -0.497 0.000 0.994 229 G CA 0.180 45.136 45.100 -0.239 0.000 0.644 229 G HN 0.360 nan 8.290 nan 0.000 0.508 230 V N 0.508 119.938 119.914 -0.806 0.000 2.231 230 V HA -0.170 3.949 4.120 -0.000 0.000 0.248 230 V C 3.090 178.648 176.094 -0.894 0.000 1.054 230 V CA 3.338 64.999 62.300 -1.066 0.000 1.015 230 V CB -2.053 29.182 31.823 -0.979 0.000 0.638 230 V HN 1.134 nan 8.190 nan 0.000 0.444 231 T N -2.492 111.472 114.554 -0.985 0.000 3.052 231 T HA -0.117 4.232 4.350 -0.000 0.000 0.270 231 T C 1.545 175.924 174.700 -0.534 0.000 1.147 231 T CA 1.599 62.955 62.100 -1.240 0.000 1.089 231 T CB -0.469 67.945 68.868 -0.756 0.000 0.875 231 T HN 0.465 nan 8.240 nan 0.000 0.541 232 S N -0.076 115.403 115.700 -0.368 0.000 2.539 232 S HA 0.429 4.899 4.470 -0.000 0.000 0.221 232 S C 0.396 174.936 174.600 -0.101 0.000 0.987 232 S CA -0.582 57.516 58.200 -0.169 0.000 0.929 232 S CB -0.186 62.934 63.200 -0.132 0.000 0.832 232 S HN 0.388 nan 8.310 nan 0.000 0.492 233 M N 2.494 122.010 119.600 -0.141 0.000 2.249 233 M HA 0.182 4.661 4.480 -0.000 0.000 0.340 233 M C -1.866 174.448 176.300 0.023 0.000 1.166 233 M CA -1.860 53.409 55.300 -0.051 0.000 1.115 233 M CB 0.303 32.846 32.600 -0.094 0.000 1.606 233 M HN -0.136 nan 8.290 nan 0.000 0.448 234 P HA -0.184 nan 4.420 nan 0.000 0.217 234 P C -0.000 177.311 177.300 0.019 0.000 1.158 234 P CA 1.476 64.590 63.100 0.023 0.000 0.887 234 P CB 0.184 31.898 31.700 0.022 0.000 0.792 235 D N -3.229 117.192 120.400 0.035 0.000 2.388 235 D HA 0.057 4.697 4.640 -0.000 0.000 0.221 235 D C -0.008 176.299 176.300 0.011 0.000 1.133 235 D CA -0.326 53.688 54.000 0.024 0.000 0.831 235 D CB -0.623 40.206 40.800 0.049 0.000 0.962 235 D HN 0.175 nan 8.370 nan 0.000 0.502 236 Y N 1.484 121.720 120.300 -0.107 0.000 2.336 236 Y HA 0.262 4.812 4.550 -0.000 0.000 0.331 236 Y C -0.192 175.425 175.900 -0.473 0.000 1.211 236 Y CA -0.136 57.850 58.100 -0.191 0.000 1.346 236 Y CB 0.593 38.956 38.460 -0.162 0.000 1.271 236 Y HN -0.357 nan 8.280 nan 0.000 0.538 237 K N 7.460 126.592 120.400 -2.114 0.000 2.463 237 K HA 0.278 4.598 4.320 -0.000 0.000 0.255 237 K C -2.328 173.349 176.600 -1.538 0.000 0.942 237 K CA -1.862 53.450 56.287 -1.626 0.000 0.814 237 K CB 2.037 33.636 32.500 -1.500 0.000 1.122 237 K HN 0.383 nan 8.250 nan 0.000 0.425 238 P HA -0.194 nan 4.420 nan 0.000 0.221 238 P C 0.803 177.972 177.300 -0.219 0.000 1.145 238 P CA 1.064 64.001 63.100 -0.270 0.000 0.795 238 P CB 0.261 31.914 31.700 -0.078 0.000 0.775 239 S N -2.450 113.088 115.700 -0.270 0.000 2.650 239 S HA 0.039 4.509 4.470 -0.000 0.000 0.219 239 S C 0.562 175.170 174.600 0.013 0.000 0.960 239 S CA -0.347 57.785 58.200 -0.115 0.000 0.925 239 S CB -1.177 61.967 63.200 -0.094 0.000 0.775 239 S HN -0.184 nan 8.310 nan 0.000 0.525 240 F N 3.385 123.251 119.950 -0.140 0.000 2.553 240 F HA 0.384 4.910 4.527 -0.000 0.000 0.356 240 F C -2.003 173.741 175.800 -0.093 0.000 1.142 240 F CA -2.508 55.455 58.000 -0.062 0.000 1.322 240 F CB -0.568 38.369 39.000 -0.105 0.000 1.126 240 F HN 0.074 nan 8.300 nan 0.000 0.599 241 P HA 0.132 nan 4.420 nan 0.000 0.276 241 P C -0.924 176.116 177.300 -0.432 0.000 1.235 241 P CA -0.293 62.606 63.100 -0.335 0.000 0.772 241 P CB 0.390 31.742 31.700 -0.579 0.000 0.871 242 K N 3.034 123.196 120.400 -0.397 0.000 2.333 242 K HA 0.135 4.455 4.320 -0.000 0.000 0.241 242 K C -0.337 176.197 176.600 -0.110 0.000 1.193 242 K CA -0.230 55.924 56.287 -0.223 0.000 1.142 242 K CB -0.097 32.337 32.500 -0.110 0.000 1.731 242 K HN 0.521 nan 8.250 nan 0.000 0.344 243 W N 0.832 122.153 121.300 0.034 0.000 2.049 243 W HA 0.277 4.937 4.660 -0.000 0.000 0.356 243 W C 0.663 177.199 176.519 0.029 0.000 1.323 243 W CA -1.011 56.367 57.345 0.055 0.000 1.336 243 W CB 0.591 30.116 29.460 0.108 0.000 1.176 243 W HN 0.299 nan 8.180 nan 0.000 0.623 244 A N 0.988 124.017 122.820 0.349 0.000 2.386 244 A HA 0.654 4.974 4.320 -0.000 0.000 0.308 244 A C -0.366 177.302 177.584 0.141 0.000 1.128 244 A CA -1.005 51.144 52.037 0.187 0.000 0.789 244 A CB 0.983 20.069 19.000 0.143 0.000 1.325 244 A HN 0.697 nan 8.150 nan 0.000 0.437 245 R N 0.250 120.807 120.500 0.095 0.000 2.873 245 R HA 0.136 4.476 4.340 -0.000 0.000 0.267 245 R C -0.224 176.102 176.300 0.043 0.000 1.009 245 R CA 0.521 56.653 56.100 0.054 0.000 1.152 245 R CB 0.190 30.495 30.300 0.009 0.000 1.047 245 R HN 0.752 nan 8.270 nan 0.000 0.470 246 Q N 0.300 120.121 119.800 0.034 0.000 2.351 246 Q HA 0.095 4.435 4.340 -0.000 0.000 0.273 246 Q C -1.147 174.887 176.000 0.056 0.000 1.077 246 Q CA -0.801 55.024 55.803 0.036 0.000 0.843 246 Q CB 1.773 30.531 28.738 0.035 0.000 1.367 246 Q HN 0.398 nan 8.270 nan 0.000 0.449 247 D N 1.129 121.557 120.400 0.047 0.000 2.357 247 D HA -0.026 4.614 4.640 -0.000 0.000 0.265 247 D C 0.325 176.692 176.300 0.112 0.000 1.334 247 D CA 0.212 54.248 54.000 0.058 0.000 0.984 247 D CB 0.051 40.864 40.800 0.022 0.000 1.077 247 D HN 0.372 nan 8.370 nan 0.000 0.514 248 F N 2.237 122.141 119.950 -0.077 0.000 2.184 248 F HA -0.248 4.278 4.527 -0.000 0.000 0.301 248 F C 2.376 178.110 175.800 -0.111 0.000 1.076 248 F CA 1.179 59.115 58.000 -0.107 0.000 1.295 248 F CB -0.571 38.363 39.000 -0.110 0.000 1.026 248 F HN 0.344 nan 8.300 nan 0.000 0.494 249 S N -0.743 114.975 115.700 0.031 0.000 2.462 249 S HA -0.244 4.226 4.470 -0.000 0.000 0.243 249 S C 1.974 176.512 174.600 -0.103 0.000 1.003 249 S CA 1.401 59.567 58.200 -0.057 0.000 0.970 249 S CB -0.365 62.824 63.200 -0.018 0.000 0.762 249 S HN 0.485 nan 8.310 nan 0.000 0.510 250 K N 0.844 121.191 120.400 -0.089 0.000 2.367 250 K HA 0.222 4.541 4.320 -0.000 0.000 0.195 250 K C 1.574 178.078 176.600 -0.159 0.000 1.060 250 K CA 0.204 56.428 56.287 -0.105 0.000 1.022 250 K CB 0.194 32.655 32.500 -0.064 0.000 0.894 250 K HN 0.238 nan 8.250 nan 0.000 0.540 251 V N 1.394 121.182 119.914 -0.211 0.000 2.256 251 V HA -0.093 4.027 4.120 -0.000 0.000 0.240 251 V C 1.116 176.956 176.094 -0.424 0.000 1.036 251 V CA 1.394 63.511 62.300 -0.304 0.000 1.008 251 V CB 0.586 32.225 31.823 -0.306 0.000 0.648 251 V HN 0.289 nan 8.190 nan 0.000 0.453 252 V N -0.955 118.601 119.914 -0.597 0.000 2.220 252 V HA 0.410 4.530 4.120 -0.000 0.000 0.265 252 V C -1.308 174.554 176.094 -0.386 0.000 1.078 252 V CA -1.453 60.526 62.300 -0.535 0.000 0.872 252 V CB 0.266 31.653 31.823 -0.727 0.000 1.121 252 V HN 0.266 nan 8.190 nan 0.000 0.460 253 P HA -0.005 nan 4.420 nan 0.000 0.213 253 P C -0.968 176.234 177.300 -0.163 0.000 1.170 253 P CA 1.872 64.857 63.100 -0.193 0.000 0.893 253 P CB -1.341 30.270 31.700 -0.149 0.000 0.784 254 P HA -0.035 nan 4.420 nan 0.000 0.249 254 P C 0.336 177.573 177.300 -0.104 0.000 1.227 254 P CA 0.358 63.391 63.100 -0.112 0.000 0.753 254 P CB -0.359 31.280 31.700 -0.101 0.000 0.966 255 L N 1.829 122.962 121.223 -0.151 0.000 2.305 255 L HA 0.192 4.532 4.340 -0.000 0.000 0.281 255 L C 0.274 177.106 176.870 -0.063 0.000 1.085 255 L CA -0.480 54.279 54.840 -0.135 0.000 0.813 255 L CB 0.643 42.543 42.059 -0.264 0.000 1.157 255 L HN -0.136 nan 8.230 nan 0.000 0.436 256 D N 2.113 122.522 120.400 0.016 0.000 2.354 256 D HA 0.333 4.973 4.640 -0.000 0.000 0.247 256 D C 1.101 177.429 176.300 0.046 0.000 1.138 256 D CA 0.198 54.226 54.000 0.046 0.000 0.958 256 D CB 0.407 41.268 40.800 0.102 0.000 1.144 256 D HN 0.578 nan 8.370 nan 0.000 0.458 257 E N 0.288 120.517 120.200 0.049 0.000 2.284 257 E HA -0.269 4.080 4.350 -0.000 0.000 0.200 257 E C 1.198 177.849 176.600 0.085 0.000 1.008 257 E CA 2.182 58.613 56.400 0.052 0.000 0.829 257 E CB -1.006 28.721 29.700 0.046 0.000 0.744 257 E HN 0.665 nan 8.360 nan 0.000 0.491 258 D N -1.140 119.343 120.400 0.139 0.000 2.201 258 D HA 0.140 4.780 4.640 -0.000 0.000 0.209 258 D C 2.251 178.588 176.300 0.062 0.000 0.961 258 D CA 1.007 55.144 54.000 0.228 0.000 0.861 258 D CB -0.417 40.617 40.800 0.390 0.000 0.997 258 D HN 0.406 nan 8.370 nan 0.000 0.486 259 G N 1.368 110.096 108.800 -0.120 0.000 2.491 259 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 259 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 259 G C 1.518 176.287 174.900 -0.219 0.000 1.180 259 G CA 0.652 45.455 45.100 -0.495 0.000 0.774 259 G HN 0.173 nan 8.290 nan 0.000 0.562 260 R N 0.575 121.010 120.500 -0.108 0.000 2.148 260 R HA 0.017 4.356 4.340 -0.000 0.000 0.227 260 R C 2.634 178.962 176.300 0.045 0.000 1.103 260 R CA 1.142 57.235 56.100 -0.012 0.000 0.983 260 R CB -0.917 29.403 30.300 0.034 0.000 0.874 260 R HN 0.408 nan 8.270 nan 0.000 0.451 261 S N 1.019 116.749 115.700 0.050 0.000 2.423 261 S HA -0.075 4.395 4.470 -0.000 0.000 0.231 261 S C 1.732 176.366 174.600 0.056 0.000 1.014 261 S CA 0.643 58.927 58.200 0.140 0.000 0.965 261 S CB 0.030 63.390 63.200 0.267 0.000 0.785 261 S HN 0.220 nan 8.310 nan 0.000 0.495 262 L N 0.689 121.771 121.223 -0.235 0.000 2.221 262 L HA 0.386 4.726 4.340 -0.000 0.000 0.202 262 L C 1.925 178.702 176.870 -0.155 0.000 1.074 262 L CA 1.099 55.611 54.840 -0.548 0.000 0.795 262 L CB -0.812 40.708 42.059 -0.898 0.000 0.960 262 L HN 0.375 nan 8.230 nan 0.000 0.458 263 L N -0.383 120.848 121.223 0.015 0.000 2.083 263 L HA -0.147 4.192 4.340 -0.000 0.000 0.209 263 L C 2.656 179.567 176.870 0.067 0.000 1.083 263 L CA 2.156 57.069 54.840 0.122 0.000 0.752 263 L CB -0.867 41.253 42.059 0.102 0.000 0.899 263 L HN 0.529 nan 8.230 nan 0.000 0.433 264 S N -1.548 114.189 115.700 0.063 0.000 2.419 264 S HA -0.232 4.237 4.470 -0.000 0.000 0.233 264 S C 1.781 176.366 174.600 -0.026 0.000 1.016 264 S CA 1.262 59.429 58.200 -0.054 0.000 0.974 264 S CB -0.578 62.602 63.200 -0.033 0.000 0.786 264 S HN 0.714 nan 8.310 nan 0.000 0.492 265 Q N -0.091 119.760 119.800 0.085 0.000 2.398 265 Q HA 0.298 4.638 4.340 -0.000 0.000 0.204 265 Q C 1.877 177.974 176.000 0.161 0.000 0.932 265 Q CA 0.558 56.495 55.803 0.223 0.000 0.916 265 Q CB -0.176 28.652 28.738 0.149 0.000 1.024 265 Q HN 0.603 nan 8.270 nan 0.000 0.504 266 M N -0.085 119.553 119.600 0.064 0.000 2.541 266 M HA 0.044 4.524 4.480 -0.000 0.000 0.252 266 M C 0.881 177.179 176.300 -0.004 0.000 1.125 266 M CA 0.798 56.129 55.300 0.052 0.000 1.091 266 M CB 0.558 33.175 32.600 0.030 0.000 1.420 266 M HN 0.093 nan 8.290 nan 0.000 0.486 267 L N -0.485 120.685 121.223 -0.088 0.000 3.062 267 L HA 0.208 4.548 4.340 -0.000 0.000 0.255 267 L C 0.063 176.855 176.870 -0.130 0.000 1.274 267 L CA -0.333 54.348 54.840 -0.265 0.000 1.047 267 L CB -0.317 41.481 42.059 -0.436 0.000 1.402 267 L HN 0.179 nan 8.230 nan 0.000 0.550 268 H N -0.707 118.350 119.070 -0.022 0.000 2.722 268 H HA 0.029 4.585 4.556 -0.000 0.000 0.328 268 H C 0.497 175.797 175.328 -0.047 0.000 1.067 268 H CA 0.474 56.490 56.048 -0.054 0.000 1.447 268 H CB 1.200 30.938 29.762 -0.041 0.000 1.469 268 H HN 0.182 nan 8.280 nan 0.000 0.544 269 Y N 0.807 121.075 120.300 -0.054 0.000 2.165 269 Y HA -0.199 4.351 4.550 -0.000 0.000 0.286 269 Y C 1.427 176.652 175.900 -1.126 0.000 1.155 269 Y CA 0.631 58.486 58.100 -0.407 0.000 1.164 269 Y CB 0.353 38.709 38.460 -0.175 0.000 0.978 269 Y HN 0.554 nan 8.280 nan 0.000 0.513 270 D N 0.047 120.064 120.400 -0.639 0.000 2.358 270 D HA 0.028 4.668 4.640 -0.000 0.000 0.258 270 D C -1.966 174.129 176.300 -0.341 0.000 1.223 270 D CA -1.689 51.847 54.000 -0.773 0.000 0.886 270 D CB 1.376 42.023 40.800 -0.255 0.000 1.120 270 D HN 0.056 nan 8.370 nan 0.000 0.482 271 P HA -0.054 nan 4.420 nan 0.000 0.220 271 P C 0.583 177.878 177.300 -0.008 0.000 1.148 271 P CA 1.012 64.080 63.100 -0.052 0.000 0.803 271 P CB 0.287 32.015 31.700 0.047 0.000 0.782 272 N N -0.998 117.695 118.700 -0.011 0.000 2.331 272 N HA -0.070 4.670 4.740 -0.000 0.000 0.180 272 N C 1.434 176.922 175.510 -0.036 0.000 1.019 272 N CA 0.540 53.592 53.050 0.002 0.000 0.881 272 N CB 0.012 38.516 38.487 0.029 0.000 0.972 272 N HN 0.036 nan 8.380 nan 0.000 0.435 273 K N 0.840 121.188 120.400 -0.085 0.000 2.308 273 K HA 0.089 4.409 4.320 -0.000 0.000 0.197 273 K C 0.583 177.058 176.600 -0.207 0.000 1.049 273 K CA -0.016 56.157 56.287 -0.190 0.000 0.991 273 K CB 0.069 32.380 32.500 -0.314 0.000 0.836 273 K HN 0.111 nan 8.250 nan 0.000 0.500 274 R N 1.702 122.161 120.500 -0.069 0.000 2.638 274 R HA 0.023 4.362 4.340 -0.000 0.000 0.268 274 R C 0.246 176.566 176.300 0.033 0.000 1.006 274 R CA 0.044 56.167 56.100 0.038 0.000 1.088 274 R CB 0.124 30.487 30.300 0.106 0.000 0.950 274 R HN 0.074 nan 8.270 nan 0.000 0.419 275 I N 2.866 123.475 120.570 0.065 0.000 2.836 275 I HA -0.034 4.136 4.170 -0.000 0.000 0.285 275 I C 0.360 176.535 176.117 0.097 0.000 1.174 275 I CA 0.369 61.713 61.300 0.074 0.000 1.405 275 I CB 0.904 38.958 38.000 0.089 0.000 1.385 275 I HN 0.856 nan 8.210 nan 0.000 0.594 276 S N 5.367 121.126 115.700 0.097 0.000 2.707 276 S HA 0.507 4.976 4.470 -0.000 0.000 0.276 276 S C 0.843 175.512 174.600 0.114 0.000 1.179 276 S CA -0.182 58.089 58.200 0.119 0.000 0.992 276 S CB 1.630 64.892 63.200 0.104 0.000 1.030 276 S HN 0.777 nan 8.310 nan 0.000 0.554 277 A N 1.119 124.007 122.820 0.114 0.000 1.855 277 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 277 A C 2.164 179.763 177.584 0.024 0.000 1.191 277 A CA 1.685 53.746 52.037 0.039 0.000 0.613 277 A CB -1.112 17.856 19.000 -0.053 0.000 0.829 277 A HN 0.928 nan 8.150 nan 0.000 0.442 278 K N -0.424 119.996 120.400 0.033 0.000 2.015 278 K HA -0.204 4.116 4.320 -0.000 0.000 0.216 278 K C 2.215 178.854 176.600 0.065 0.000 1.052 278 K CA 1.581 57.886 56.287 0.030 0.000 0.937 278 K CB -0.396 32.128 32.500 0.040 0.000 0.719 278 K HN 0.392 nan 8.250 nan 0.000 0.446 279 A N 0.751 123.624 122.820 0.088 0.000 1.917 279 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 279 A C 2.276 179.968 177.584 0.180 0.000 1.182 279 A CA 2.202 54.310 52.037 0.119 0.000 0.633 279 A CB -0.865 18.199 19.000 0.106 0.000 0.819 279 A HN 0.519 nan 8.150 nan 0.000 0.448 280 A N -0.556 122.373 122.820 0.182 0.000 2.015 280 A HA 0.052 4.372 4.320 -0.000 0.000 0.219 280 A C 2.084 179.924 177.584 0.427 0.000 1.163 280 A CA 1.224 53.433 52.037 0.287 0.000 0.646 280 A CB -0.515 18.621 19.000 0.226 0.000 0.806 280 A HN 0.486 nan 8.150 nan 0.000 0.448 281 L N -1.039 120.302 121.223 0.198 0.000 2.127 281 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 281 L C 2.608 179.677 176.870 0.332 0.000 1.089 281 L CA 1.149 56.055 54.840 0.111 0.000 0.757 281 L CB -0.363 41.662 42.059 -0.057 0.000 0.899 281 L HN 0.452 nan 8.230 nan 0.000 0.434 282 A N -2.372 120.623 122.820 0.292 0.000 2.337 282 A HA -0.021 4.299 4.320 -0.000 0.000 0.227 282 A C 0.755 178.519 177.584 0.300 0.000 1.259 282 A CA -0.226 51.967 52.037 0.260 0.000 0.870 282 A CB -0.650 18.448 19.000 0.162 0.000 0.927 282 A HN 0.303 nan 8.150 nan 0.000 0.497 283 H N 1.344 120.616 119.070 0.336 0.000 2.764 283 H HA 0.104 4.659 4.556 -0.000 0.000 0.341 283 H C -1.488 173.965 175.328 0.208 0.000 1.072 283 H CA -1.114 55.082 56.048 0.247 0.000 1.444 283 H CB 1.366 31.266 29.762 0.230 0.000 1.458 283 H HN 0.098 nan 8.280 nan 0.000 0.572 284 P HA -0.224 nan 4.420 nan 0.000 0.217 284 P C 1.503 178.843 177.300 0.067 0.000 1.148 284 P CA 0.986 64.057 63.100 -0.048 0.000 0.828 284 P CB -0.227 31.382 31.700 -0.152 0.000 0.783 285 F N 0.183 120.163 119.950 0.051 0.000 2.287 285 F HA -0.116 4.411 4.527 -0.000 0.000 0.301 285 F C 1.176 176.806 175.800 -0.284 0.000 1.069 285 F CA 1.125 59.053 58.000 -0.120 0.000 1.372 285 F CB -0.611 38.255 39.000 -0.222 0.000 1.056 285 F HN -0.258 nan 8.300 nan 0.000 0.523 286 F N 0.156 120.126 119.950 0.034 0.000 2.668 286 F HA 0.203 4.730 4.527 -0.000 0.000 0.297 286 F C 1.841 177.512 175.800 -0.215 0.000 1.124 286 F CA -0.271 57.616 58.000 -0.188 0.000 1.353 286 F CB -0.905 38.078 39.000 -0.028 0.000 0.992 286 F HN -0.009 nan 8.300 nan 0.000 0.524 287 Q N 0.520 120.298 119.800 -0.036 0.000 2.050 287 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 287 Q C 0.311 176.253 176.000 -0.097 0.000 0.980 287 Q CA 1.522 57.297 55.803 -0.046 0.000 0.840 287 Q CB -0.055 28.653 28.738 -0.049 0.000 0.898 287 Q HN 0.379 nan 8.270 nan 0.000 0.424 288 D N -0.352 119.958 120.400 -0.150 0.000 2.551 288 D HA 0.172 4.811 4.640 -0.000 0.000 0.294 288 D C -0.892 175.288 176.300 -0.200 0.000 1.201 288 D CA -0.327 53.583 54.000 -0.151 0.000 0.941 288 D CB 0.405 41.128 40.800 -0.129 0.000 0.995 288 D HN -0.205 nan 8.370 nan 0.000 0.502 289 V N 1.665 121.431 119.914 -0.247 0.000 2.383 289 V HA 0.391 4.511 4.120 -0.000 0.000 0.275 289 V C 0.965 176.934 176.094 -0.209 0.000 1.036 289 V CA -0.172 61.948 62.300 -0.300 0.000 0.889 289 V CB 1.016 32.457 31.823 -0.637 0.000 0.985 289 V HN 0.592 nan 8.190 nan 0.000 0.459 290 T N 2.361 116.831 114.554 -0.139 0.000 2.849 290 T HA 0.573 4.922 4.350 -0.000 0.000 0.272 290 T C -0.090 174.581 174.700 -0.049 0.000 1.046 290 T CA -0.839 61.211 62.100 -0.084 0.000 0.983 290 T CB 1.240 70.066 68.868 -0.069 0.000 1.721 290 T HN 0.454 nan 8.240 nan 0.000 0.594 291 K N 1.519 121.902 120.400 -0.029 0.000 3.050 291 K HA 0.376 4.696 4.320 -0.000 0.000 0.185 291 K C -2.920 173.667 176.600 -0.022 0.000 1.147 291 K CA -1.219 55.066 56.287 -0.003 0.000 0.916 291 K CB 0.326 32.839 32.500 0.023 0.000 1.119 291 K HN 0.333 nan 8.250 nan 0.000 0.605 292 P HA -0.009 nan 4.420 nan 0.000 0.271 292 P C -1.256 176.009 177.300 -0.058 0.000 1.233 292 P CA -0.706 62.358 63.100 -0.059 0.000 0.789 292 P CB 0.949 32.604 31.700 -0.075 0.000 0.951 293 V N 1.385 121.258 119.914 -0.069 0.000 2.447 293 V HA 0.482 4.602 4.120 -0.000 0.000 0.292 293 V C -2.597 173.431 176.094 -0.111 0.000 1.021 293 V CA -1.946 60.309 62.300 -0.075 0.000 0.850 293 V CB 1.034 32.812 31.823 -0.075 0.000 1.005 293 V HN 0.449 nan 8.190 nan 0.000 0.426 294 P HA 0.396 nan 4.420 nan 0.000 0.274 294 P C -1.070 176.202 177.300 -0.048 0.000 1.260 294 P CA -0.038 63.072 63.100 0.015 0.000 0.793 294 P CB 0.267 32.063 31.700 0.159 0.000 1.048 295 H N -0.762 118.378 119.070 0.115 0.000 2.488 295 H HA 0.385 4.941 4.556 -0.000 0.000 0.322 295 H C -0.295 175.113 175.328 0.134 0.000 1.078 295 H CA -0.495 55.603 56.048 0.084 0.000 1.260 295 H CB 0.432 30.236 29.762 0.070 0.000 1.425 295 H HN 0.151 nan 8.280 nan 0.000 0.471 296 L N 2.984 124.331 121.223 0.207 0.000 2.334 296 L HA 0.342 4.682 4.340 -0.000 0.000 0.277 296 L C 0.464 177.441 176.870 0.179 0.000 1.075 296 L CA -0.775 54.179 54.840 0.191 0.000 0.804 296 L CB 0.949 43.059 42.059 0.085 0.000 1.174 296 L HN 0.439 nan 8.230 nan 0.000 0.438 297 R N 3.381 123.995 120.500 0.190 0.000 2.608 297 R HA 0.430 4.770 4.340 -0.000 0.000 0.277 297 R C -0.938 175.443 176.300 0.134 0.000 1.341 297 R CA 0.209 56.391 56.100 0.138 0.000 1.199 297 R CB -0.492 29.881 30.300 0.122 0.000 1.156 297 R HN 0.493 nan 8.270 nan 0.000 0.558 298 L N 0.000 121.300 121.223 0.128 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 298 L CA 0.000 54.923 54.840 0.139 0.000 0.813 298 L CB 0.000 42.166 42.059 0.178 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502