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 2ej3_1_B DATA FIRST_RESID 3 DATA SEQUENCE IKAGLIWMNG AFVPQEEAKT SVLSHALHYG TSVFEGIRAY ETAKGPAIFR DATA SEQUENCE LKEHVKRFYN SAKVLRMEIP FAPEELEEAI KEVVRRNGYR SCYIRPLAWM DATA SEQUENCE GAKALGVNPL PNNPAEVMVA AWEWGAYLGE EAVRKGARLI TSSWARFPAN DATA SEQUENCE VMPGKAKVGG NYVNSALAKM EAVAAGADEA LLLDEEGYVA EGSGENLFFV DATA SEQUENCE RDGVIYALEH SVNLEGITRD SVIRIAKDLG YEVQVVRATR DQLYMADEVF DATA SEQUENCE MTGTAAEVTP VSMIDWRPIG KGTAGPVALR LREVYLEAVT GRRPEYEGWL DATA SEQUENCE TYVN 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 175.967 176.117 -0.250 0.000 1.063 3 I CA 0.000 61.054 61.300 -0.409 0.000 1.566 3 I CB 0.000 37.577 38.000 -0.705 0.000 1.214 4 K N 4.358 124.655 120.400 -0.170 0.000 2.231 4 K HA 0.559 4.879 4.320 -0.000 0.000 0.255 4 K C 0.691 177.358 176.600 0.111 0.000 1.108 4 K CA -0.109 56.166 56.287 -0.019 0.000 0.997 4 K CB 1.356 33.865 32.500 0.014 0.000 1.549 4 K HN 0.711 nan 8.250 nan 0.000 0.419 5 A N 2.305 125.200 122.820 0.125 0.000 1.997 5 A HA 0.316 4.636 4.320 -0.000 0.000 0.212 5 A C 1.266 179.024 177.584 0.290 0.000 1.178 5 A CA 0.991 53.207 52.037 0.299 0.000 0.698 5 A CB -0.310 18.846 19.000 0.261 0.000 0.842 5 A HN 0.822 nan 8.150 nan 0.000 0.458 6 G N -0.484 108.414 108.800 0.163 0.000 2.523 6 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.271 6 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.271 6 G C -0.015 174.949 174.900 0.106 0.000 1.146 6 G CA -0.017 45.145 45.100 0.104 0.000 0.961 6 G HN 0.716 nan 8.290 nan 0.000 0.549 7 L N 1.189 122.462 121.223 0.085 0.000 2.410 7 L HA 0.514 4.854 4.340 -0.000 0.000 0.273 7 L C 0.438 177.495 176.870 0.312 0.000 1.144 7 L CA -0.043 54.893 54.840 0.160 0.000 0.863 7 L CB 0.520 42.624 42.059 0.075 0.000 1.140 7 L HN 0.369 nan 8.230 nan 0.000 0.463 8 I N 2.130 122.892 120.570 0.320 0.000 2.433 8 I HA 0.166 4.336 4.170 -0.000 0.000 0.292 8 I C -0.658 175.571 176.117 0.187 0.000 1.001 8 I CA -0.565 60.912 61.300 0.295 0.000 1.119 8 I CB 1.879 39.985 38.000 0.176 0.000 1.289 8 I HN 0.607 nan 8.210 nan 0.000 0.438 9 W N 8.547 129.715 121.300 -0.221 0.000 2.446 9 W HA 0.270 4.930 4.660 -0.000 0.000 0.316 9 W C -0.694 175.641 176.519 -0.306 0.000 1.376 9 W CA -0.229 56.681 57.345 -0.724 0.000 1.300 9 W CB 0.551 29.463 29.460 -0.914 0.000 1.351 9 W HN 0.256 nan 8.180 nan 0.000 0.530 10 M N 7.560 126.777 119.600 -0.638 0.000 2.043 10 M HA 0.097 4.577 4.480 -0.000 0.000 0.322 10 M C 0.062 175.897 176.300 -0.774 0.000 0.962 10 M CA -0.338 54.688 55.300 -0.457 0.000 0.927 10 M CB 0.903 33.395 32.600 -0.179 0.000 1.466 10 M HN 0.504 nan 8.290 nan 0.000 0.412 11 N N 2.773 120.938 118.700 -0.891 0.000 2.699 11 N HA -0.210 4.530 4.740 -0.000 0.000 0.256 11 N C 0.854 175.927 175.510 -0.727 0.000 0.993 11 N CA 1.341 53.991 53.050 -0.667 0.000 0.759 11 N CB -0.786 37.605 38.487 -0.159 0.000 0.906 11 N HN 1.187 nan 8.380 nan 0.000 0.541 12 G N -2.400 105.358 108.800 -1.736 0.000 2.195 12 G HA2 0.055 4.015 3.960 -0.000 0.000 0.224 12 G HA3 0.055 4.015 3.960 -0.000 0.000 0.224 12 G C -0.039 174.545 174.900 -0.527 0.000 0.990 12 G CA 0.329 45.045 45.100 -0.641 0.000 0.639 12 G HN 1.311 nan 8.290 nan 0.000 0.514 13 A N -0.719 121.579 122.820 -0.870 0.000 2.574 13 A HA 0.778 5.098 4.320 -0.000 0.000 0.297 13 A C -0.777 176.541 177.584 -0.442 0.000 1.062 13 A CA -0.696 51.103 52.037 -0.396 0.000 0.686 13 A CB 0.911 19.817 19.000 -0.158 0.000 1.285 13 A HN 0.735 nan 8.150 nan 0.000 0.403 14 F N 0.967 120.897 119.950 -0.034 0.000 2.399 14 F HA 0.522 5.049 4.527 -0.000 0.000 0.342 14 F C 0.826 176.624 175.800 -0.003 0.000 1.106 14 F CA 0.424 58.440 58.000 0.028 0.000 1.196 14 F CB 1.782 40.839 39.000 0.094 0.000 1.163 14 F HN 0.605 nan 8.300 nan 0.000 0.547 15 V N 0.430 120.452 119.914 0.181 0.000 3.188 15 V HA 0.662 4.782 4.120 -0.000 0.000 0.305 15 V C -3.042 173.116 176.094 0.107 0.000 1.232 15 V CA -3.020 59.342 62.300 0.102 0.000 1.043 15 V CB 1.877 33.722 31.823 0.036 0.000 1.068 15 V HN 0.403 nan 8.190 nan 0.000 0.439 16 P HA 0.184 nan 4.420 nan 0.000 0.269 16 P C 0.601 177.933 177.300 0.054 0.000 1.215 16 P CA 0.136 63.271 63.100 0.058 0.000 0.780 16 P CB 0.566 32.287 31.700 0.035 0.000 0.898 17 Q N 1.676 121.508 119.800 0.053 0.000 2.096 17 Q HA -0.322 4.018 4.340 -0.000 0.000 0.208 17 Q C 1.715 177.723 176.000 0.014 0.000 0.993 17 Q CA 1.951 57.778 55.803 0.039 0.000 0.862 17 Q CB -0.287 28.468 28.738 0.028 0.000 0.915 17 Q HN 0.398 nan 8.270 nan 0.000 0.416 18 E N 0.568 120.773 120.200 0.008 0.000 2.219 18 E HA -0.217 4.133 4.350 -0.000 0.000 0.198 18 E C 1.002 177.603 176.600 0.002 0.000 0.998 18 E CA 1.845 58.244 56.400 -0.002 0.000 0.818 18 E CB 0.026 29.725 29.700 -0.001 0.000 0.741 18 E HN 0.530 nan 8.360 nan 0.000 0.477 19 E N -0.861 119.346 120.200 0.012 0.000 2.452 19 E HA 0.197 4.547 4.350 -0.000 0.000 0.197 19 E C 0.153 176.764 176.600 0.017 0.000 1.022 19 E CA 0.375 56.783 56.400 0.013 0.000 0.890 19 E CB 0.422 30.131 29.700 0.016 0.000 0.918 19 E HN 0.230 nan 8.360 nan 0.000 0.496 20 A N 2.366 125.197 122.820 0.019 0.000 3.048 20 A HA 0.101 4.421 4.320 -0.000 0.000 0.264 20 A C -0.096 177.487 177.584 -0.000 0.000 1.796 20 A CA 0.253 52.304 52.037 0.023 0.000 1.445 20 A CB -0.402 18.618 19.000 0.033 0.000 1.074 20 A HN -0.026 nan 8.150 nan 0.000 0.621 21 K N -0.299 120.109 120.400 0.014 0.000 2.395 21 K HA 0.740 5.060 4.320 -0.000 0.000 0.245 21 K C -0.660 175.970 176.600 0.050 0.000 1.017 21 K CA -0.656 55.628 56.287 -0.004 0.000 0.852 21 K CB 2.225 34.720 32.500 -0.008 0.000 1.311 21 K HN 0.310 nan 8.250 nan 0.000 0.452 22 T N -0.760 113.816 114.554 0.038 0.000 2.883 22 T HA 0.217 4.567 4.350 -0.000 0.000 0.301 22 T C -0.918 173.839 174.700 0.096 0.000 1.158 22 T CA -0.502 61.681 62.100 0.137 0.000 1.007 22 T CB 1.628 70.653 68.868 0.262 0.000 1.186 22 T HN 0.521 nan 8.240 nan 0.000 0.499 23 S N 1.075 116.855 115.700 0.133 0.000 2.558 23 S HA 0.054 4.524 4.470 -0.000 0.000 0.288 23 S C 1.663 176.320 174.600 0.096 0.000 1.318 23 S CA 0.091 58.350 58.200 0.099 0.000 1.056 23 S CB 0.215 63.478 63.200 0.105 0.000 0.853 23 S HN 1.000 nan 8.310 nan 0.000 0.505 24 V N 4.435 124.390 119.914 0.069 0.000 3.510 24 V HA 0.205 4.325 4.120 -0.000 0.000 0.270 24 V C 1.063 177.268 176.094 0.184 0.000 1.201 24 V CA 1.043 63.383 62.300 0.067 0.000 1.166 24 V CB -0.898 30.939 31.823 0.025 0.000 0.825 24 V HN 0.803 nan 8.190 nan 0.000 0.484 25 L N 0.270 121.588 121.223 0.158 0.000 2.667 25 L HA 0.329 4.668 4.340 -0.000 0.000 0.232 25 L C 0.995 177.916 176.870 0.086 0.000 1.138 25 L CA -0.119 54.790 54.840 0.115 0.000 0.921 25 L CB 0.151 42.231 42.059 0.035 0.000 1.180 25 L HN 0.216 nan 8.230 nan 0.000 0.487 26 S N -0.335 115.479 115.700 0.191 0.000 2.537 26 S HA -0.045 4.425 4.470 -0.000 0.000 0.286 26 S C 1.300 176.060 174.600 0.268 0.000 1.299 26 S CA -0.210 58.145 58.200 0.257 0.000 1.067 26 S CB 0.481 63.901 63.200 0.367 0.000 0.864 26 S HN 0.293 nan 8.310 nan 0.000 0.494 27 H N 3.387 122.554 119.070 0.162 0.000 2.321 27 H HA -0.225 4.330 4.556 -0.000 0.000 0.295 27 H C 2.122 177.577 175.328 0.212 0.000 1.102 27 H CA 2.125 58.279 56.048 0.178 0.000 1.266 27 H CB -0.243 29.646 29.762 0.212 0.000 1.363 27 H HN 0.745 nan 8.280 nan 0.000 0.492 28 A N 0.558 123.630 122.820 0.419 0.000 2.070 28 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 28 A C 2.483 180.159 177.584 0.153 0.000 1.159 28 A CA 1.184 53.419 52.037 0.329 0.000 0.656 28 A CB -0.585 18.659 19.000 0.407 0.000 0.800 28 A HN 0.395 nan 8.150 nan 0.000 0.453 29 L N -1.376 119.911 121.223 0.106 0.000 2.313 29 L HA -0.003 4.337 4.340 -0.000 0.000 0.214 29 L C 2.029 178.785 176.870 -0.190 0.000 1.119 29 L CA 1.535 56.349 54.840 -0.043 0.000 0.809 29 L CB -0.406 41.621 42.059 -0.053 0.000 0.933 29 L HN 0.527 nan 8.230 nan 0.000 0.449 30 H N -2.727 116.151 119.070 -0.320 0.000 2.516 30 H HA 0.120 4.676 4.556 -0.000 0.000 0.284 30 H C 0.486 175.429 175.328 -0.642 0.000 0.999 30 H CA 1.001 56.678 56.048 -0.619 0.000 1.303 30 H CB 0.459 29.557 29.762 -1.106 0.000 1.452 30 H HN 0.369 nan 8.280 nan 0.000 0.530 31 Y N -0.580 119.740 120.300 0.032 0.000 2.707 31 Y HA 0.288 4.837 4.550 -0.000 0.000 0.249 31 Y C 1.480 177.426 175.900 0.077 0.000 1.166 31 Y CA -0.005 58.100 58.100 0.007 0.000 1.184 31 Y CB 1.264 39.655 38.460 -0.114 0.000 1.240 31 Y HN 0.182 nan 8.280 nan 0.000 0.547 32 G N 1.354 110.269 108.800 0.191 0.000 2.187 32 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.261 32 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.261 32 G C 0.408 175.445 174.900 0.228 0.000 1.000 32 G CA 0.824 46.035 45.100 0.185 0.000 0.718 32 G HN 0.414 nan 8.290 nan 0.000 0.519 33 T N -0.510 114.222 114.554 0.297 0.000 4.475 33 T HA 0.569 4.919 4.350 -0.000 0.000 0.254 33 T C 0.503 175.362 174.700 0.266 0.000 1.160 33 T CA 0.488 62.763 62.100 0.290 0.000 1.091 33 T CB 0.235 69.350 68.868 0.412 0.000 1.377 33 T HN 1.514 nan 8.240 nan 0.000 1.057 34 S N 0.393 116.240 115.700 0.245 0.000 2.651 34 S HA 0.846 5.316 4.470 -0.000 0.000 0.279 34 S C -0.602 174.136 174.600 0.230 0.000 1.148 34 S CA -0.688 57.677 58.200 0.275 0.000 0.837 34 S CB 1.887 65.290 63.200 0.339 0.000 1.138 34 S HN 1.049 nan 8.310 nan 0.000 0.478 35 V N -0.634 119.407 119.914 0.212 0.000 2.925 35 V HA 1.008 5.128 4.120 -0.000 0.000 0.311 35 V C -0.911 175.391 176.094 0.347 0.000 1.104 35 V CA -1.046 61.319 62.300 0.110 0.000 0.954 35 V CB 0.824 32.540 31.823 -0.178 0.000 1.022 35 V HN 1.452 nan 8.190 nan 0.000 0.427 36 F N -0.159 119.935 119.950 0.240 0.000 2.745 36 F HA 0.988 5.515 4.527 -0.000 0.000 0.316 36 F C -0.865 175.112 175.800 0.295 0.000 1.155 36 F CA -0.725 57.474 58.000 0.331 0.000 0.937 36 F CB 1.579 40.668 39.000 0.149 0.000 1.361 36 F HN 0.578 nan 8.300 nan 0.000 0.472 37 E N -0.247 120.184 120.200 0.385 0.000 2.416 37 E HA 0.596 4.946 4.350 -0.000 0.000 0.273 37 E C -1.324 175.367 176.600 0.151 0.000 0.935 37 E CA -0.973 55.540 56.400 0.188 0.000 0.784 37 E CB 2.161 31.908 29.700 0.078 0.000 1.301 37 E HN 1.035 nan 8.360 nan 0.000 0.454 38 G N 1.434 110.259 108.800 0.042 0.000 2.728 38 G HA2 0.633 4.593 3.960 -0.000 0.000 0.296 38 G HA3 0.633 4.593 3.960 -0.000 0.000 0.296 38 G C -0.618 174.006 174.900 -0.460 0.000 1.401 38 G CA -0.298 44.703 45.100 -0.164 0.000 1.007 38 G HN 0.239 nan 8.290 nan 0.000 0.527 39 I N 1.336 121.470 120.570 -0.727 0.000 2.569 39 I HA 0.571 4.741 4.170 -0.000 0.000 0.296 39 I C -0.069 175.767 176.117 -0.469 0.000 1.028 39 I CA -0.994 59.910 61.300 -0.660 0.000 1.082 39 I CB 2.722 40.389 38.000 -0.557 0.000 1.264 39 I HN 0.238 nan 8.210 nan 0.000 0.429 40 R N 3.133 123.526 120.500 -0.177 0.000 2.740 40 R HA 0.832 5.172 4.340 -0.000 0.000 0.282 40 R C -1.026 175.247 176.300 -0.044 0.000 0.969 40 R CA -0.890 55.154 56.100 -0.094 0.000 0.918 40 R CB 2.342 32.645 30.300 0.006 0.000 1.175 40 R HN 0.735 nan 8.270 nan 0.000 0.464 41 A N 2.588 125.337 122.820 -0.119 0.000 2.318 41 A HA 0.551 4.871 4.320 -0.000 0.000 0.317 41 A C -1.484 176.035 177.584 -0.108 0.000 1.159 41 A CA -0.466 51.549 52.037 -0.036 0.000 0.799 41 A CB 0.517 19.502 19.000 -0.026 0.000 1.194 41 A HN 0.643 nan 8.150 nan 0.000 0.479 42 Y N 0.799 121.098 120.300 -0.003 0.000 2.352 42 Y HA 0.452 5.002 4.550 -0.000 0.000 0.339 42 Y C 0.577 176.468 175.900 -0.015 0.000 0.992 42 Y CA -0.420 57.665 58.100 -0.025 0.000 1.100 42 Y CB 1.629 40.031 38.460 -0.097 0.000 1.192 42 Y HN 0.837 nan 8.280 nan 0.000 0.458 43 E N 1.915 122.201 120.200 0.143 0.000 2.373 43 E HA 0.320 4.670 4.350 -0.000 0.000 0.267 43 E C -0.319 176.348 176.600 0.112 0.000 1.032 43 E CA -0.023 56.446 56.400 0.114 0.000 0.889 43 E CB 0.633 30.392 29.700 0.098 0.000 0.984 43 E HN 0.668 nan 8.360 nan 0.000 0.425 44 T N 0.275 114.905 114.554 0.126 0.000 2.864 44 T HA 0.653 5.003 4.350 -0.000 0.000 0.289 44 T C 0.613 175.389 174.700 0.125 0.000 1.082 44 T CA -0.374 61.809 62.100 0.138 0.000 1.009 44 T CB 1.205 70.217 68.868 0.240 0.000 1.234 44 T HN 0.372 nan 8.240 nan 0.000 0.526 45 A N -0.133 122.749 122.820 0.103 0.000 2.239 45 A HA 0.198 4.518 4.320 -0.000 0.000 0.209 45 A C 1.499 179.125 177.584 0.071 0.000 1.171 45 A CA 0.548 52.627 52.037 0.071 0.000 0.768 45 A CB -0.635 18.392 19.000 0.045 0.000 0.790 45 A HN 0.754 nan 8.150 nan 0.000 0.478 46 K N -0.414 120.054 120.400 0.114 0.000 2.514 46 K HA 0.405 4.725 4.320 -0.000 0.000 0.207 46 K C 0.477 177.180 176.600 0.171 0.000 1.035 46 K CA 0.317 56.653 56.287 0.081 0.000 1.113 46 K CB 0.414 32.883 32.500 -0.050 0.000 0.846 46 K HN 0.550 nan 8.250 nan 0.000 0.491 47 G N 2.053 110.955 108.800 0.170 0.000 2.655 47 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.680 47 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.680 47 G C -3.066 171.947 174.900 0.188 0.000 1.302 47 G CA -1.317 43.881 45.100 0.165 0.000 0.872 47 G HN -0.116 nan 8.290 nan 0.000 0.540 48 P HA 0.465 nan 4.420 nan 0.000 0.268 48 P C -0.189 177.127 177.300 0.027 0.000 1.204 48 P CA 0.941 64.094 63.100 0.090 0.000 0.768 48 P CB 1.155 32.904 31.700 0.082 0.000 0.842 49 A N 4.302 127.086 122.820 -0.059 0.000 2.330 49 A HA 0.570 4.890 4.320 -0.000 0.000 0.313 49 A C -0.395 177.160 177.584 -0.049 0.000 1.124 49 A CA -0.750 51.132 52.037 -0.259 0.000 0.774 49 A CB 0.420 19.041 19.000 -0.632 0.000 1.198 49 A HN 0.446 nan 8.150 nan 0.000 0.465 50 I N 2.315 122.865 120.570 -0.034 0.000 2.371 50 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 50 I C -0.435 175.761 176.117 0.132 0.000 1.028 50 I CA -0.233 61.095 61.300 0.048 0.000 1.345 50 I CB 0.839 38.837 38.000 -0.004 0.000 1.407 50 I HN 0.665 nan 8.210 nan 0.000 0.501 51 F N 6.681 126.661 119.950 0.050 0.000 2.445 51 F HA 0.298 4.825 4.527 -0.000 0.000 0.359 51 F C 0.943 176.807 175.800 0.107 0.000 1.101 51 F CA -0.695 57.348 58.000 0.072 0.000 1.177 51 F CB -0.029 39.033 39.000 0.104 0.000 1.110 51 F HN 0.434 nan 8.300 nan 0.000 0.522 52 R N 4.753 124.953 120.500 -0.501 0.000 3.158 52 R HA -0.254 4.086 4.340 -0.000 0.000 0.244 52 R C 0.999 177.278 176.300 -0.035 0.000 0.900 52 R CA 0.530 56.397 56.100 -0.388 0.000 0.618 52 R CB -1.710 28.123 30.300 -0.778 0.000 1.061 52 R HN 0.737 nan 8.270 nan 0.000 0.471 53 L N 1.148 122.374 121.223 0.004 0.000 1.989 53 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 53 L C 1.945 178.844 176.870 0.049 0.000 1.071 53 L CA 1.909 56.772 54.840 0.038 0.000 0.749 53 L CB -0.191 41.870 42.059 0.002 0.000 0.890 53 L HN 0.273 nan 8.230 nan 0.000 0.431 54 K N -0.771 119.641 120.400 0.021 0.000 2.097 54 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 54 K C 2.075 178.687 176.600 0.021 0.000 1.049 54 K CA 1.384 57.685 56.287 0.023 0.000 0.933 54 K CB -0.121 32.387 32.500 0.015 0.000 0.717 54 K HN 0.287 nan 8.250 nan 0.000 0.442 55 E N 0.428 120.612 120.200 -0.026 0.000 2.106 55 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 55 E C 1.800 178.350 176.600 -0.082 0.000 0.984 55 E CA 1.358 57.708 56.400 -0.083 0.000 0.806 55 E CB 0.024 29.611 29.700 -0.189 0.000 0.750 55 E HN 0.328 nan 8.360 nan 0.000 0.458 56 H N -0.896 118.163 119.070 -0.019 0.000 2.389 56 H HA -0.023 4.533 4.556 -0.000 0.000 0.299 56 H C 2.096 177.465 175.328 0.069 0.000 1.081 56 H CA 1.513 57.567 56.048 0.010 0.000 1.345 56 H CB 0.027 29.773 29.762 -0.025 0.000 1.393 56 H HN 0.100 nan 8.280 nan 0.000 0.520 57 V N 1.263 121.290 119.914 0.189 0.000 2.427 57 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 57 V C 2.588 178.890 176.094 0.346 0.000 1.051 57 V CA 1.629 64.074 62.300 0.242 0.000 1.048 57 V CB -0.366 31.555 31.823 0.162 0.000 0.666 57 V HN 0.316 nan 8.190 nan 0.000 0.456 58 K N 0.346 120.860 120.400 0.191 0.000 2.057 58 K HA -0.230 4.090 4.320 -0.000 0.000 0.207 58 K C 2.386 179.097 176.600 0.186 0.000 1.049 58 K CA 1.733 58.115 56.287 0.158 0.000 0.931 58 K CB -0.135 32.400 32.500 0.059 0.000 0.714 58 K HN 0.307 nan 8.250 nan 0.000 0.440 59 R N -0.394 120.192 120.500 0.143 0.000 2.092 59 R HA -0.139 4.201 4.340 -0.000 0.000 0.231 59 R C 2.203 178.595 176.300 0.154 0.000 1.119 59 R CA 1.340 57.504 56.100 0.106 0.000 0.970 59 R CB -0.362 29.970 30.300 0.053 0.000 0.864 59 R HN 0.216 nan 8.270 nan 0.000 0.440 60 F N 0.315 120.302 119.950 0.063 0.000 2.091 60 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 60 F C 1.450 177.222 175.800 -0.047 0.000 1.103 60 F CA 1.674 59.671 58.000 -0.005 0.000 1.228 60 F CB -0.540 38.454 39.000 -0.009 0.000 0.984 60 F HN 0.027 nan 8.300 nan 0.000 0.477 61 Y N 0.344 120.684 120.300 0.066 0.000 2.242 61 Y HA -0.162 4.388 4.550 -0.000 0.000 0.291 61 Y C 2.361 178.219 175.900 -0.071 0.000 1.137 61 Y CA 1.942 60.018 58.100 -0.040 0.000 1.181 61 Y CB -1.066 37.425 38.460 0.052 0.000 0.989 61 Y HN 0.174 nan 8.280 nan 0.000 0.527 62 N N -0.823 117.939 118.700 0.104 0.000 2.120 62 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 62 N C 1.879 177.369 175.510 -0.033 0.000 1.024 62 N CA 1.257 54.326 53.050 0.033 0.000 0.852 62 N CB -0.168 38.336 38.487 0.029 0.000 1.003 62 N HN 0.140 nan 8.380 nan 0.000 0.424 63 S N 0.567 116.222 115.700 -0.076 0.000 2.382 63 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 63 S C 2.104 176.616 174.600 -0.147 0.000 1.027 63 S CA 1.045 59.177 58.200 -0.113 0.000 0.991 63 S CB -0.245 62.867 63.200 -0.147 0.000 0.823 63 S HN 0.458 nan 8.310 nan 0.000 0.469 64 A N 1.631 124.314 122.820 -0.230 0.000 1.933 64 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 64 A C 2.019 179.537 177.584 -0.110 0.000 1.175 64 A CA 1.675 53.579 52.037 -0.221 0.000 0.628 64 A CB -0.480 18.319 19.000 -0.336 0.000 0.814 64 A HN 0.462 nan 8.150 nan 0.000 0.444 65 K N -0.086 120.275 120.400 -0.065 0.000 2.097 65 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 65 K C 1.767 178.344 176.600 -0.037 0.000 1.049 65 K CA 1.471 57.740 56.287 -0.031 0.000 0.933 65 K CB -0.247 32.250 32.500 -0.004 0.000 0.717 65 K HN 0.258 nan 8.250 nan 0.000 0.442 66 V N 1.683 121.570 119.914 -0.045 0.000 2.332 66 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 66 V C 2.142 178.211 176.094 -0.042 0.000 1.055 66 V CA 1.555 63.830 62.300 -0.042 0.000 1.038 66 V CB -0.293 31.502 31.823 -0.046 0.000 0.651 66 V HN 0.348 nan 8.190 nan 0.000 0.450 67 L N -0.749 120.445 121.223 -0.048 0.000 2.599 67 L HA 0.161 4.501 4.340 -0.000 0.000 0.230 67 L C 1.182 178.025 176.870 -0.045 0.000 1.141 67 L CA 0.261 55.077 54.840 -0.040 0.000 0.877 67 L CB -0.279 41.761 42.059 -0.032 0.000 1.009 67 L HN 0.348 nan 8.230 nan 0.000 0.447 68 R N -0.233 120.240 120.500 -0.047 0.000 3.651 68 R HA -0.198 4.142 4.340 -0.000 0.000 0.292 68 R C 0.327 176.594 176.300 -0.055 0.000 1.161 68 R CA 0.573 56.647 56.100 -0.044 0.000 0.787 68 R CB -1.829 28.447 30.300 -0.040 0.000 1.249 68 R HN 0.376 nan 8.270 nan 0.000 0.476 69 M N 1.277 120.837 119.600 -0.068 0.000 2.180 69 M HA 0.266 4.746 4.480 -0.000 0.000 0.358 69 M C 0.340 176.592 176.300 -0.079 0.000 1.233 69 M CA 0.270 55.520 55.300 -0.083 0.000 1.114 69 M CB 0.825 33.365 32.600 -0.100 0.000 1.594 69 M HN 0.192 nan 8.290 nan 0.000 0.467 70 E N 6.194 126.352 120.200 -0.069 0.000 2.115 70 E HA 0.451 4.801 4.350 -0.000 0.000 0.282 70 E C -1.077 175.499 176.600 -0.041 0.000 0.987 70 E CA -0.485 55.889 56.400 -0.044 0.000 0.797 70 E CB 0.616 30.290 29.700 -0.043 0.000 1.086 70 E HN 0.824 nan 8.360 nan 0.000 0.397 71 I N 4.891 125.460 120.570 -0.003 0.000 2.291 71 I HA 0.224 4.394 4.170 -0.000 0.000 0.290 71 I C -1.483 174.717 176.117 0.138 0.000 1.050 71 I CA -1.938 59.398 61.300 0.060 0.000 1.245 71 I CB 1.969 39.931 38.000 -0.063 0.000 1.405 71 I HN 0.499 nan 8.210 nan 0.000 0.478 72 P HA 0.084 nan 4.420 nan 0.000 0.286 72 P C -0.770 176.172 177.300 -0.596 0.000 1.577 72 P CA 0.508 63.450 63.100 -0.263 0.000 0.805 72 P CB -0.497 30.968 31.700 -0.391 0.000 1.706 73 F N -0.239 119.830 119.950 0.198 0.000 2.608 73 F HA 0.525 5.052 4.527 -0.000 0.000 0.309 73 F C 0.249 176.204 175.800 0.257 0.000 1.103 73 F CA -1.308 56.830 58.000 0.231 0.000 0.954 73 F CB 1.279 40.461 39.000 0.302 0.000 1.267 73 F HN -0.156 nan 8.300 nan 0.000 0.444 74 A N 2.945 125.959 122.820 0.322 0.000 2.407 74 A HA 0.473 4.793 4.320 -0.000 0.000 0.248 74 A C -1.908 175.764 177.584 0.147 0.000 1.082 74 A CA -1.167 50.964 52.037 0.157 0.000 0.785 74 A CB 0.138 19.190 19.000 0.087 0.000 1.020 74 A HN 0.612 nan 8.150 nan 0.000 0.489 75 P HA -0.138 nan 4.420 nan 0.000 0.216 75 P C 1.736 179.042 177.300 0.010 0.000 1.150 75 P CA 2.359 65.385 63.100 -0.123 0.000 0.843 75 P CB 0.157 31.647 31.700 -0.350 0.000 0.787 76 E N 0.489 120.688 120.200 -0.000 0.000 2.110 76 E HA -0.257 4.092 4.350 -0.000 0.000 0.193 76 E C 1.824 178.432 176.600 0.014 0.000 0.988 76 E CA 1.532 57.937 56.400 0.007 0.000 0.804 76 E CB -1.435 28.273 29.700 0.013 0.000 0.745 76 E HN 0.481 nan 8.360 nan 0.000 0.458 77 E N -0.040 120.197 120.200 0.061 0.000 2.047 77 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 77 E C 2.252 178.765 176.600 -0.145 0.000 0.987 77 E CA 0.889 57.319 56.400 0.050 0.000 0.799 77 E CB -0.103 29.738 29.700 0.235 0.000 0.752 77 E HN 0.295 nan 8.360 nan 0.000 0.449 78 L N 1.458 122.609 121.223 -0.120 0.000 2.042 78 L HA -0.197 4.142 4.340 -0.000 0.000 0.210 78 L C 2.160 178.854 176.870 -0.293 0.000 1.076 78 L CA 1.791 56.444 54.840 -0.311 0.000 0.749 78 L CB -0.904 41.123 42.059 -0.054 0.000 0.893 78 L HN 0.194 nan 8.230 nan 0.000 0.432 79 E N -0.634 119.484 120.200 -0.137 0.000 2.110 79 E HA -0.273 4.076 4.350 -0.000 0.000 0.193 79 E C 1.981 178.505 176.600 -0.126 0.000 0.988 79 E CA 1.213 57.547 56.400 -0.110 0.000 0.804 79 E CB 0.052 29.725 29.700 -0.045 0.000 0.745 79 E HN 0.330 nan 8.360 nan 0.000 0.458 80 E N 1.021 121.147 120.200 -0.123 0.000 2.072 80 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 80 E C 1.850 178.362 176.600 -0.146 0.000 0.985 80 E CA 1.380 57.727 56.400 -0.089 0.000 0.801 80 E CB -0.259 29.419 29.700 -0.038 0.000 0.750 80 E HN 0.221 nan 8.360 nan 0.000 0.452 81 A N 0.641 123.236 122.820 -0.375 0.000 1.908 81 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 81 A C 2.397 179.805 177.584 -0.294 0.000 1.181 81 A CA 1.611 53.275 52.037 -0.622 0.000 0.627 81 A CB -0.759 17.205 19.000 -1.727 0.000 0.818 81 A HN 0.369 nan 8.150 nan 0.000 0.445 82 I N -0.664 119.730 120.570 -0.293 0.000 2.286 82 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 82 I C 2.447 178.515 176.117 -0.081 0.000 1.115 82 I CA 1.567 62.758 61.300 -0.181 0.000 1.392 82 I CB -0.248 37.630 38.000 -0.202 0.000 1.065 82 I HN 0.313 nan 8.210 nan 0.000 0.418 83 K N 0.572 120.934 120.400 -0.063 0.000 2.057 83 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 83 K C 1.984 178.580 176.600 -0.006 0.000 1.050 83 K CA 1.229 57.502 56.287 -0.023 0.000 0.935 83 K CB -0.100 32.393 32.500 -0.012 0.000 0.715 83 K HN 0.343 nan 8.250 nan 0.000 0.439 84 E N 0.594 120.804 120.200 0.017 0.000 2.106 84 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 84 E C 2.006 178.555 176.600 -0.085 0.000 0.984 84 E CA 0.703 57.096 56.400 -0.011 0.000 0.806 84 E CB -0.006 29.753 29.700 0.097 0.000 0.750 84 E HN 0.037 nan 8.360 nan 0.000 0.458 85 V N 0.808 120.799 119.914 0.128 0.000 2.469 85 V HA -0.216 3.904 4.120 -0.000 0.000 0.251 85 V C 2.050 178.149 176.094 0.009 0.000 1.064 85 V CA 1.350 63.745 62.300 0.158 0.000 1.066 85 V CB -0.009 31.981 31.823 0.278 0.000 0.667 85 V HN 0.084 nan 8.190 nan 0.000 0.461 86 V N 0.214 120.143 119.914 0.026 0.000 2.283 86 V HA -0.184 3.936 4.120 -0.000 0.000 0.243 86 V C 2.568 178.631 176.094 -0.052 0.000 1.039 86 V CA 2.360 64.698 62.300 0.063 0.000 1.016 86 V CB -0.803 31.061 31.823 0.068 0.000 0.650 86 V HN 0.486 nan 8.190 nan 0.000 0.449 87 R N 0.182 120.637 120.500 -0.076 0.000 2.070 87 R HA -0.099 4.241 4.340 -0.000 0.000 0.233 87 R C 2.495 178.687 176.300 -0.180 0.000 1.137 87 R CA 1.517 57.557 56.100 -0.100 0.000 0.945 87 R CB -0.433 29.817 30.300 -0.082 0.000 0.845 87 R HN 0.441 nan 8.270 nan 0.000 0.430 88 R N 0.453 120.788 120.500 -0.274 0.000 2.152 88 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 88 R C 1.217 177.322 176.300 -0.325 0.000 1.117 88 R CA 0.874 56.773 56.100 -0.334 0.000 0.981 88 R CB -0.220 29.741 30.300 -0.565 0.000 0.870 88 R HN 0.324 nan 8.270 nan 0.000 0.451 89 N N -0.193 118.248 118.700 -0.431 0.000 2.280 89 N HA 0.017 4.757 4.740 -0.000 0.000 0.192 89 N C 0.707 175.878 175.510 -0.565 0.000 1.109 89 N CA 0.762 53.428 53.050 -0.639 0.000 0.855 89 N CB 1.166 38.891 38.487 -1.270 0.000 0.974 89 N HN 0.338 nan 8.380 nan 0.000 0.482 90 G N 1.080 109.693 108.800 -0.311 0.000 2.225 90 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.267 90 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.267 90 G C -0.132 174.773 174.900 0.008 0.000 1.024 90 G CA 0.097 45.124 45.100 -0.122 0.000 0.784 90 G HN 0.454 nan 8.290 nan 0.000 0.507 91 Y N -0.709 119.596 120.300 0.008 0.000 2.379 91 Y HA 0.410 4.960 4.550 -0.000 0.000 0.337 91 Y C 1.888 177.805 175.900 0.028 0.000 1.238 91 Y CA -0.612 57.501 58.100 0.022 0.000 1.405 91 Y CB 0.617 39.084 38.460 0.011 0.000 1.310 91 Y HN 0.103 nan 8.280 nan 0.000 0.569 92 R N 0.284 120.919 120.500 0.226 0.000 1.792 92 R HA 0.212 4.552 4.340 -0.000 0.000 0.139 92 R C -0.180 176.188 176.300 0.112 0.000 2.091 92 R CA -0.254 55.932 56.100 0.142 0.000 1.697 92 R CB -0.325 30.050 30.300 0.124 0.000 1.340 92 R HN 0.415 nan 8.270 nan 0.000 0.481 93 S N 0.786 116.545 115.700 0.099 0.000 2.562 93 S HA 0.378 4.848 4.470 -0.000 0.000 0.275 93 S C -0.074 174.556 174.600 0.051 0.000 1.281 93 S CA -0.618 57.619 58.200 0.062 0.000 1.045 93 S CB 0.897 64.152 63.200 0.092 0.000 0.962 93 S HN 0.573 nan 8.310 nan 0.000 0.503 94 C N 2.002 121.299 119.300 -0.004 0.000 3.292 94 C HA 0.618 5.078 4.460 -0.000 0.000 0.338 94 C C -1.484 173.396 174.990 -0.183 0.000 1.323 94 C CA -1.279 57.643 59.018 -0.161 0.000 1.232 94 C CB -0.009 27.505 27.740 -0.377 0.000 1.517 94 C HN 0.811 nan 8.230 nan 0.000 0.470 95 Y N 1.516 121.414 120.300 -0.670 0.000 2.330 95 Y HA 0.805 5.354 4.550 -0.000 0.000 0.336 95 Y C -0.196 175.202 175.900 -0.837 0.000 1.036 95 Y CA -0.950 56.697 58.100 -0.755 0.000 1.125 95 Y CB 0.743 38.475 38.460 -1.214 0.000 1.194 95 Y HN 0.715 nan 8.280 nan 0.000 0.469 96 I N 6.829 126.785 120.570 -1.022 0.000 2.377 96 I HA 0.412 4.582 4.170 -0.000 0.000 0.293 96 I C -0.632 174.964 176.117 -0.869 0.000 0.987 96 I CA -0.974 59.869 61.300 -0.761 0.000 1.185 96 I CB 1.590 39.313 38.000 -0.461 0.000 1.341 96 I HN 0.447 nan 8.210 nan 0.000 0.455 97 R N 8.193 128.369 120.500 -0.541 0.000 2.415 97 R HA 0.504 4.844 4.340 -0.000 0.000 0.292 97 R C -2.922 173.320 176.300 -0.097 0.000 1.295 97 R CA -2.138 53.801 56.100 -0.267 0.000 1.137 97 R CB 0.785 31.068 30.300 -0.027 0.000 1.135 97 R HN 0.182 nan 8.270 nan 0.000 0.560 98 P HA 0.294 nan 4.420 nan 0.000 0.278 98 P C -1.420 175.915 177.300 0.057 0.000 1.238 98 P CA -0.592 62.364 63.100 -0.241 0.000 0.794 98 P CB 1.154 32.420 31.700 -0.722 0.000 0.955 99 L N 1.979 123.359 121.223 0.262 0.000 2.493 99 L HA 0.780 5.120 4.340 -0.000 0.000 0.265 99 L C -1.677 175.633 176.870 0.734 0.000 0.954 99 L CA -0.628 54.539 54.840 0.545 0.000 0.844 99 L CB 1.766 44.043 42.059 0.364 0.000 1.302 99 L HN 0.430 nan 8.230 nan 0.000 0.405 100 A N 4.057 127.292 122.820 0.691 0.000 2.343 100 A HA 0.850 5.170 4.320 -0.000 0.000 0.308 100 A C -1.742 176.107 177.584 0.441 0.000 1.092 100 A CA -0.315 51.992 52.037 0.449 0.000 0.751 100 A CB 0.624 19.697 19.000 0.122 0.000 1.203 100 A HN 0.963 nan 8.150 nan 0.000 0.452 101 W N 2.057 123.426 121.300 0.114 0.000 3.033 101 W HA 0.741 5.401 4.660 -0.000 0.000 0.336 101 W C -1.013 175.556 176.519 0.084 0.000 1.173 101 W CA -1.322 56.083 57.345 0.101 0.000 1.185 101 W CB 1.003 30.532 29.460 0.114 0.000 1.425 101 W HN 0.352 nan 8.180 nan 0.000 0.536 102 M N 3.594 123.290 119.600 0.160 0.000 2.219 102 M HA 0.287 4.767 4.480 -0.000 0.000 0.353 102 M C 0.730 177.101 176.300 0.118 0.000 1.304 102 M CA -0.109 55.209 55.300 0.031 0.000 1.115 102 M CB 0.085 32.699 32.600 0.023 0.000 1.664 102 M HN 0.877 nan 8.290 nan 0.000 0.459 103 G N 2.103 110.885 108.800 -0.030 0.000 2.485 103 G HA2 0.449 4.409 3.960 -0.000 0.000 0.260 103 G HA3 0.449 4.409 3.960 -0.000 0.000 0.260 103 G C 0.174 175.159 174.900 0.143 0.000 1.459 103 G CA 0.002 45.137 45.100 0.060 0.000 1.060 103 G HN 0.814 nan 8.290 nan 0.000 0.546 104 A N -1.121 121.765 122.820 0.110 0.000 2.577 104 A HA 0.332 4.652 4.320 -0.000 0.000 0.280 104 A C 1.758 179.376 177.584 0.057 0.000 1.331 104 A CA 0.020 52.113 52.037 0.093 0.000 0.935 104 A CB -0.143 18.909 19.000 0.086 0.000 1.082 104 A HN 0.563 nan 8.150 nan 0.000 0.525 105 K N 0.058 120.486 120.400 0.045 0.000 2.057 105 K HA 0.122 4.442 4.320 -0.000 0.000 0.207 105 K C 0.782 177.403 176.600 0.036 0.000 1.049 105 K CA 1.349 57.651 56.287 0.025 0.000 0.931 105 K CB -0.043 32.459 32.500 0.003 0.000 0.714 105 K HN 0.561 nan 8.250 nan 0.000 0.440 106 A N -0.135 122.726 122.820 0.067 0.000 2.610 106 A HA 0.526 4.846 4.320 -0.000 0.000 0.291 106 A C -0.971 176.705 177.584 0.153 0.000 1.086 106 A CA -0.691 51.393 52.037 0.078 0.000 0.677 106 A CB 1.070 20.107 19.000 0.062 0.000 1.278 106 A HN 0.111 nan 8.150 nan 0.000 0.414 107 L N 1.567 122.862 121.223 0.121 0.000 3.209 107 L HA 0.360 4.700 4.340 -0.000 0.000 0.279 107 L C 0.965 177.961 176.870 0.210 0.000 1.301 107 L CA -0.127 54.816 54.840 0.172 0.000 1.004 107 L CB 0.496 42.535 42.059 -0.033 0.000 1.402 107 L HN 0.871 nan 8.230 nan 0.000 0.577 108 G N -0.386 108.510 108.800 0.159 0.000 2.476 108 G HA2 0.338 4.298 3.960 -0.000 0.000 0.286 108 G HA3 0.338 4.298 3.960 -0.000 0.000 0.286 108 G C 1.186 176.072 174.900 -0.023 0.000 1.177 108 G CA -0.072 45.055 45.100 0.045 0.000 0.870 108 G HN 0.025 nan 8.290 nan 0.000 0.528 109 V N -0.472 119.297 119.914 -0.242 0.000 2.407 109 V HA -0.109 4.010 4.120 -0.000 0.000 0.248 109 V C 1.298 177.386 176.094 -0.011 0.000 1.055 109 V CA 1.340 63.403 62.300 -0.395 0.000 1.049 109 V CB -0.909 30.700 31.823 -0.356 0.000 0.662 109 V HN 0.549 nan 8.190 nan 0.000 0.455 110 N N 2.850 121.548 118.700 -0.004 0.000 2.434 110 N HA 0.098 4.838 4.740 -0.000 0.000 0.268 110 N C -1.118 174.363 175.510 -0.049 0.000 1.256 110 N CA -1.553 51.488 53.050 -0.015 0.000 0.914 110 N CB 1.241 39.712 38.487 -0.027 0.000 1.088 110 N HN 0.320 nan 8.380 nan 0.000 0.478 111 P HA -0.010 nan 4.420 nan 0.000 0.240 111 P C 1.523 178.672 177.300 -0.252 0.000 1.190 111 P CA 0.363 63.181 63.100 -0.469 0.000 0.781 111 P CB 0.483 31.921 31.700 -0.436 0.000 0.931 112 L N 0.340 121.479 121.223 -0.140 0.000 2.043 112 L HA -0.128 4.211 4.340 -0.000 0.000 0.212 112 L C -0.316 176.501 176.870 -0.088 0.000 1.075 112 L CA 2.104 56.886 54.840 -0.098 0.000 0.752 112 L CB -2.493 39.526 42.059 -0.066 0.000 0.891 112 L HN 0.066 nan 8.230 nan 0.000 0.432 113 P HA -0.104 nan 4.420 nan 0.000 0.225 113 P C 0.579 177.842 177.300 -0.061 0.000 1.148 113 P CA 1.121 64.189 63.100 -0.054 0.000 0.779 113 P CB -0.068 31.614 31.700 -0.031 0.000 0.780 114 N N -1.928 116.714 118.700 -0.097 0.000 2.353 114 N HA -0.002 4.738 4.740 -0.000 0.000 0.185 114 N C 0.377 175.828 175.510 -0.099 0.000 1.098 114 N CA 0.123 53.118 53.050 -0.092 0.000 0.872 114 N CB -0.471 37.941 38.487 -0.124 0.000 0.970 114 N HN 0.071 nan 8.380 nan 0.000 0.467 115 N N 1.994 120.636 118.700 -0.098 0.000 2.416 115 N HA 0.082 4.821 4.740 -0.000 0.000 0.246 115 N C -2.268 173.191 175.510 -0.085 0.000 1.260 115 N CA -0.534 52.460 53.050 -0.093 0.000 0.897 115 N CB 0.336 38.775 38.487 -0.080 0.000 1.110 115 N HN 0.160 nan 8.380 nan 0.000 0.439 116 P HA 0.207 nan 4.420 nan 0.000 0.276 116 P C -0.989 176.234 177.300 -0.128 0.000 1.244 116 P CA -0.475 62.565 63.100 -0.100 0.000 0.801 116 P CB 0.704 32.342 31.700 -0.104 0.000 1.006 117 A N 1.667 124.408 122.820 -0.131 0.000 2.332 117 A HA 0.212 4.532 4.320 -0.000 0.000 0.258 117 A C 0.353 177.778 177.584 -0.265 0.000 1.087 117 A CA -0.370 51.547 52.037 -0.200 0.000 0.802 117 A CB -0.186 18.722 19.000 -0.152 0.000 1.042 117 A HN 0.572 nan 8.150 nan 0.000 0.489 118 E N -0.412 119.440 120.200 -0.580 0.000 2.277 118 E HA 0.512 4.862 4.350 -0.000 0.000 0.274 118 E C -1.049 175.156 176.600 -0.659 0.000 1.022 118 E CA -0.492 55.458 56.400 -0.750 0.000 0.853 118 E CB 1.570 30.465 29.700 -1.342 0.000 1.086 118 E HN 0.368 nan 8.360 nan 0.000 0.397 119 V N 2.426 122.208 119.914 -0.220 0.000 2.876 119 V HA 0.534 4.654 4.120 -0.000 0.000 0.312 119 V C -0.511 175.762 176.094 0.298 0.000 1.085 119 V CA -0.944 61.458 62.300 0.169 0.000 0.945 119 V CB 1.531 33.549 31.823 0.325 0.000 1.017 119 V HN 0.745 nan 8.190 nan 0.000 0.428 120 M N 3.330 123.233 119.600 0.505 0.000 2.520 120 M HA 0.919 5.399 4.480 -0.000 0.000 0.280 120 M C -2.003 174.494 176.300 0.329 0.000 1.232 120 M CA -0.584 54.979 55.300 0.438 0.000 0.892 120 M CB 2.293 35.148 32.600 0.425 0.000 1.728 120 M HN 0.176 nan 8.290 nan 0.000 0.475 121 V N 1.985 122.071 119.914 0.287 0.000 2.524 121 V HA 0.962 5.082 4.120 -0.000 0.000 0.297 121 V C -0.546 175.645 176.094 0.161 0.000 1.035 121 V CA -0.231 62.131 62.300 0.103 0.000 0.867 121 V CB 1.100 32.871 31.823 -0.086 0.000 1.004 121 V HN 1.199 nan 8.190 nan 0.000 0.426 122 A N 3.861 126.769 122.820 0.147 0.000 2.384 122 A HA 1.073 5.393 4.320 -0.000 0.000 0.312 122 A C -0.337 177.334 177.584 0.145 0.000 1.113 122 A CA -0.221 51.959 52.037 0.238 0.000 0.779 122 A CB 2.030 21.232 19.000 0.337 0.000 1.307 122 A HN 1.637 nan 8.150 nan 0.000 0.436 123 A N -0.156 122.816 122.820 0.253 0.000 2.574 123 A HA 0.838 5.157 4.320 -0.000 0.000 0.297 123 A C -1.308 176.425 177.584 0.249 0.000 1.062 123 A CA -0.270 51.780 52.037 0.020 0.000 0.686 123 A CB 0.728 19.785 19.000 0.095 0.000 1.285 123 A HN 2.067 nan 8.150 nan 0.000 0.403 124 W N 0.373 121.547 121.300 -0.209 0.000 3.074 124 W HA 0.756 5.416 4.660 -0.000 0.000 0.332 124 W C -0.750 175.401 176.519 -0.612 0.000 1.253 124 W CA -0.667 56.438 57.345 -0.400 0.000 1.180 124 W CB 0.410 29.746 29.460 -0.207 0.000 1.445 124 W HN 0.699 nan 8.180 nan 0.000 0.573 125 E N 0.467 120.458 120.200 -0.349 0.000 2.314 125 E HA 0.284 4.634 4.350 -0.000 0.000 0.262 125 E C -0.971 175.531 176.600 -0.164 0.000 1.093 125 E CA -0.754 55.471 56.400 -0.292 0.000 0.908 125 E CB 1.027 30.619 29.700 -0.179 0.000 1.091 125 E HN 0.379 nan 8.360 nan 0.000 0.425 126 W N -0.016 121.195 121.300 -0.148 0.000 2.261 126 W HA 0.305 4.965 4.660 -0.000 0.000 0.323 126 W C 1.311 177.671 176.519 -0.266 0.000 1.243 126 W CA -0.301 56.901 57.345 -0.238 0.000 1.210 126 W CB 0.732 29.876 29.460 -0.526 0.000 1.149 126 W HN 0.728 nan 8.180 nan 0.000 0.562 127 G N 1.025 109.824 108.800 -0.002 0.000 2.453 127 G HA2 0.378 4.338 3.960 -0.000 0.000 0.215 127 G HA3 0.378 4.338 3.960 -0.000 0.000 0.215 127 G C -0.008 174.834 174.900 -0.096 0.000 1.147 127 G CA 0.799 45.873 45.100 -0.044 0.000 0.802 127 G HN 0.646 nan 8.290 nan 0.000 0.535 128 A N -1.645 121.082 122.820 -0.154 0.000 2.610 128 A HA 0.734 5.054 4.320 -0.000 0.000 0.291 128 A C -2.098 175.306 177.584 -0.301 0.000 1.086 128 A CA -0.688 51.238 52.037 -0.185 0.000 0.677 128 A CB 1.018 19.992 19.000 -0.043 0.000 1.278 128 A HN 0.077 nan 8.150 nan 0.000 0.414 129 Y N -0.319 119.983 120.300 0.004 0.000 2.536 129 Y HA 0.588 5.137 4.550 -0.000 0.000 0.347 129 Y C 0.097 175.973 175.900 -0.040 0.000 1.000 129 Y CA -0.886 57.174 58.100 -0.067 0.000 1.051 129 Y CB 1.716 40.105 38.460 -0.118 0.000 1.259 129 Y HN 0.626 nan 8.280 nan 0.000 0.468 130 L N 2.435 123.738 121.223 0.132 0.000 2.416 130 L HA 0.395 4.735 4.340 -0.000 0.000 0.272 130 L C 0.965 177.863 176.870 0.047 0.000 1.161 130 L CA -0.098 54.782 54.840 0.067 0.000 0.845 130 L CB 0.295 42.377 42.059 0.040 0.000 1.119 130 L HN 0.874 nan 8.230 nan 0.000 0.464 131 G N 1.543 110.365 108.800 0.037 0.000 2.547 131 G HA2 0.215 4.175 3.960 -0.000 0.000 0.291 131 G HA3 0.215 4.175 3.960 -0.000 0.000 0.291 131 G C 0.442 175.344 174.900 0.005 0.000 1.211 131 G CA -0.359 44.754 45.100 0.020 0.000 0.950 131 G HN 0.723 nan 8.290 nan 0.000 0.504 132 E N -0.676 119.521 120.200 -0.004 0.000 2.153 132 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 132 E C 2.086 178.685 176.600 -0.002 0.000 0.988 132 E CA 1.166 57.560 56.400 -0.010 0.000 0.811 132 E CB 0.048 29.739 29.700 -0.015 0.000 0.746 132 E HN 0.752 nan 8.360 nan 0.000 0.466 133 E N 0.366 120.568 120.200 0.005 0.000 2.051 133 E HA -0.214 4.135 4.350 -0.000 0.000 0.192 133 E C 1.947 178.554 176.600 0.012 0.000 0.991 133 E CA 1.160 57.566 56.400 0.009 0.000 0.799 133 E CB -0.098 29.610 29.700 0.013 0.000 0.748 133 E HN 0.257 nan 8.360 nan 0.000 0.449 134 A N 0.607 123.436 122.820 0.015 0.000 1.898 134 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 134 A C 2.423 180.016 177.584 0.015 0.000 1.181 134 A CA 1.343 53.392 52.037 0.019 0.000 0.620 134 A CB -0.667 18.348 19.000 0.025 0.000 0.819 134 A HN 0.227 nan 8.150 nan 0.000 0.442 135 V N 0.004 119.922 119.914 0.007 0.000 2.287 135 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 135 V C 2.655 178.749 176.094 0.000 0.000 1.053 135 V CA 2.405 64.705 62.300 -0.001 0.000 1.027 135 V CB -0.784 31.029 31.823 -0.017 0.000 0.646 135 V HN 0.630 nan 8.190 nan 0.000 0.447 136 R N -0.122 120.378 120.500 0.000 0.000 2.096 136 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 136 R C 2.420 178.728 176.300 0.012 0.000 1.127 136 R CA 1.490 57.591 56.100 0.003 0.000 0.968 136 R CB -0.150 30.151 30.300 0.002 0.000 0.861 136 R HN 0.464 nan 8.270 nan 0.000 0.440 137 K N -0.569 119.841 120.400 0.017 0.000 2.097 137 K HA -0.028 4.291 4.320 -0.000 0.000 0.206 137 K C 0.628 177.243 176.600 0.025 0.000 1.049 137 K CA 0.847 57.147 56.287 0.023 0.000 0.933 137 K CB -0.103 32.413 32.500 0.026 0.000 0.717 137 K HN 0.438 nan 8.250 nan 0.000 0.442 138 G N 0.160 108.974 108.800 0.023 0.000 2.712 138 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.686 138 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.686 138 G C -0.695 174.221 174.900 0.026 0.000 1.321 138 G CA -0.560 44.557 45.100 0.027 0.000 0.813 138 G HN 0.376 nan 8.290 nan 0.000 0.599 139 A N 1.227 124.063 122.820 0.028 0.000 2.340 139 A HA 0.797 5.117 4.320 -0.000 0.000 0.268 139 A C 0.775 178.355 177.584 -0.007 0.000 1.100 139 A CA -0.135 51.913 52.037 0.018 0.000 0.803 139 A CB 0.556 19.573 19.000 0.028 0.000 1.043 139 A HN 0.811 nan 8.150 nan 0.000 0.488 140 R N 1.419 121.899 120.500 -0.034 0.000 2.295 140 R HA 0.508 4.847 4.340 -0.000 0.000 0.324 140 R C -1.438 174.778 176.300 -0.141 0.000 0.968 140 R CA -0.668 55.368 56.100 -0.106 0.000 0.837 140 R CB 1.097 31.317 30.300 -0.134 0.000 1.133 140 R HN 0.495 nan 8.270 nan 0.000 0.450 141 L N 3.206 124.331 121.223 -0.164 0.000 2.332 141 L HA 0.592 4.932 4.340 -0.000 0.000 0.269 141 L C -0.120 176.605 176.870 -0.241 0.000 1.016 141 L CA -0.695 54.059 54.840 -0.144 0.000 0.809 141 L CB 1.390 43.405 42.059 -0.072 0.000 1.280 141 L HN 0.546 nan 8.230 nan 0.000 0.447 142 I N -0.233 120.238 120.570 -0.165 0.000 2.607 142 I HA 0.251 4.421 4.170 -0.000 0.000 0.290 142 I C -0.555 175.530 176.117 -0.054 0.000 1.129 142 I CA -0.303 60.900 61.300 -0.161 0.000 1.042 142 I CB 2.269 40.185 38.000 -0.141 0.000 1.242 142 I HN 0.496 nan 8.210 nan 0.000 0.421 143 T N 4.520 119.060 114.554 -0.024 0.000 2.834 143 T HA 0.072 4.422 4.350 -0.000 0.000 0.298 143 T C 0.191 174.902 174.700 0.020 0.000 0.966 143 T CA 0.164 62.263 62.100 -0.001 0.000 1.141 143 T CB 0.809 69.681 68.868 0.006 0.000 0.905 143 T HN 0.556 nan 8.240 nan 0.000 0.535 144 S N 1.807 117.528 115.700 0.034 0.000 2.585 144 S HA 0.160 4.630 4.470 -0.000 0.000 0.273 144 S C 1.460 176.089 174.600 0.048 0.000 1.339 144 S CA -0.473 57.776 58.200 0.082 0.000 1.028 144 S CB 0.426 63.706 63.200 0.133 0.000 0.906 144 S HN 0.788 nan 8.310 nan 0.000 0.528 145 S N 2.372 118.090 115.700 0.030 0.000 2.575 145 S HA 0.188 4.657 4.470 -0.000 0.000 0.215 145 S C -0.394 174.047 174.600 -0.264 0.000 0.966 145 S CA -0.610 57.510 58.200 -0.134 0.000 0.911 145 S CB -0.282 62.791 63.200 -0.211 0.000 0.780 145 S HN 0.654 nan 8.310 nan 0.000 0.514 146 W N 1.595 122.881 121.300 -0.023 0.000 2.429 146 W HA 0.746 5.406 4.660 -0.000 0.000 0.314 146 W C 0.113 176.596 176.519 -0.061 0.000 1.062 146 W CA -0.860 56.466 57.345 -0.032 0.000 1.211 146 W CB 1.239 30.682 29.460 -0.028 0.000 1.305 146 W HN 0.156 nan 8.180 nan 0.000 0.476 147 A N 3.804 126.703 122.820 0.132 0.000 2.304 147 A HA 0.630 4.950 4.320 -0.000 0.000 0.301 147 A C -0.045 177.512 177.584 -0.046 0.000 1.132 147 A CA -0.856 51.198 52.037 0.028 0.000 0.819 147 A CB 0.548 19.555 19.000 0.011 0.000 1.094 147 A HN 0.738 nan 8.150 nan 0.000 0.492 148 R N 1.372 121.775 120.500 -0.161 0.000 2.491 148 R HA 0.307 4.647 4.340 -0.000 0.000 0.283 148 R C -0.717 175.386 176.300 -0.330 0.000 1.072 148 R CA -0.365 55.465 56.100 -0.449 0.000 1.048 148 R CB 0.005 30.053 30.300 -0.421 0.000 0.983 148 R HN 0.609 nan 8.270 nan 0.000 0.450 149 F N 3.506 123.473 119.950 0.028 0.000 2.629 149 F HA 0.205 4.732 4.527 -0.000 0.000 0.377 149 F C -2.021 173.792 175.800 0.022 0.000 1.101 149 F CA -2.387 55.630 58.000 0.027 0.000 1.301 149 F CB -0.759 38.249 39.000 0.013 0.000 1.062 149 F HN 0.404 nan 8.300 nan 0.000 0.583 150 P HA 0.116 nan 4.420 nan 0.000 0.270 150 P C 0.288 177.682 177.300 0.156 0.000 1.223 150 P CA 0.241 63.430 63.100 0.148 0.000 0.785 150 P CB 0.760 32.523 31.700 0.104 0.000 0.923 151 A N 2.210 125.094 122.820 0.105 0.000 2.225 151 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 151 A C 1.099 178.708 177.584 0.043 0.000 1.164 151 A CA 1.319 53.402 52.037 0.077 0.000 0.710 151 A CB -1.084 17.949 19.000 0.054 0.000 0.780 151 A HN 0.691 nan 8.150 nan 0.000 0.473 152 N N -1.008 117.718 118.700 0.044 0.000 2.282 152 N HA 0.170 4.910 4.740 -0.000 0.000 0.240 152 N C 0.315 175.837 175.510 0.020 0.000 1.182 152 N CA 0.480 53.544 53.050 0.022 0.000 0.874 152 N CB 0.335 38.835 38.487 0.022 0.000 1.126 152 N HN 0.125 nan 8.380 nan 0.000 0.516 153 V N -0.638 119.291 119.914 0.026 0.000 3.058 153 V HA 0.399 4.518 4.120 -0.000 0.000 0.233 153 V C 0.234 176.290 176.094 -0.064 0.000 1.255 153 V CA 0.722 63.033 62.300 0.019 0.000 1.267 153 V CB 0.241 32.117 31.823 0.089 0.000 1.049 153 V HN 0.186 nan 8.190 nan 0.000 0.486 154 M N 1.561 121.064 119.600 -0.161 0.000 2.446 154 M HA 0.427 4.907 4.480 -0.000 0.000 0.294 154 M C -3.042 173.037 176.300 -0.368 0.000 1.158 154 M CA -1.941 53.100 55.300 -0.432 0.000 0.899 154 M CB 2.047 33.986 32.600 -1.101 0.000 1.687 154 M HN -0.052 nan 8.290 nan 0.000 0.455 155 P HA 0.121 nan 4.420 nan 0.000 0.264 155 P C 0.822 178.051 177.300 -0.119 0.000 1.537 155 P CA 0.192 63.206 63.100 -0.143 0.000 1.189 155 P CB -0.285 31.353 31.700 -0.103 0.000 1.687 156 G N 3.735 112.534 108.800 -0.002 0.000 2.559 156 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 156 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 156 G C 1.283 176.244 174.900 0.102 0.000 1.126 156 G CA 0.242 45.448 45.100 0.177 0.000 0.778 156 G HN 0.316 nan 8.290 nan 0.000 0.543 157 K N 0.234 120.653 120.400 0.031 0.000 2.393 157 K HA 0.343 4.663 4.320 -0.000 0.000 0.193 157 K C 0.815 177.412 176.600 -0.005 0.000 1.026 157 K CA 0.171 56.458 56.287 0.000 0.000 1.064 157 K CB 0.746 33.227 32.500 -0.033 0.000 0.833 157 K HN 0.265 nan 8.250 nan 0.000 0.521 158 A N 1.141 123.958 122.820 -0.005 0.000 2.340 158 A HA 0.440 4.759 4.320 -0.000 0.000 0.331 158 A C -0.504 177.082 177.584 0.004 0.000 1.140 158 A CA -0.551 51.473 52.037 -0.021 0.000 0.801 158 A CB 0.869 19.843 19.000 -0.043 0.000 1.234 158 A HN 0.007 nan 8.150 nan 0.000 0.469 159 K N 1.685 122.045 120.400 -0.067 0.000 2.333 159 K HA 0.389 4.709 4.320 -0.000 0.000 0.241 159 K C -1.004 175.502 176.600 -0.155 0.000 1.193 159 K CA -0.014 56.165 56.287 -0.180 0.000 1.142 159 K CB 0.149 32.290 32.500 -0.598 0.000 1.731 159 K HN 0.450 nan 8.250 nan 0.000 0.344 160 V N 1.681 121.671 119.914 0.126 0.000 2.432 160 V HA 0.110 4.230 4.120 -0.000 0.000 0.275 160 V C 1.658 178.004 176.094 0.420 0.000 1.043 160 V CA -0.188 62.216 62.300 0.174 0.000 0.925 160 V CB 1.344 33.208 31.823 0.068 0.000 0.985 160 V HN 0.856 nan 8.190 nan 0.000 0.466 161 G N 4.324 113.381 108.800 0.428 0.000 2.574 161 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 161 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 161 G C 1.585 176.736 174.900 0.419 0.000 1.173 161 G CA 1.195 46.576 45.100 0.469 0.000 0.772 161 G HN 0.982 nan 8.290 nan 0.000 0.585 162 G N 0.911 109.864 108.800 0.255 0.000 2.475 162 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 162 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 162 G C 1.730 176.708 174.900 0.129 0.000 1.125 162 G CA 1.312 46.511 45.100 0.164 0.000 0.755 162 G HN 0.453 nan 8.290 nan 0.000 0.565 163 N N 0.197 118.956 118.700 0.097 0.000 2.149 163 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 163 N C 1.507 177.001 175.510 -0.028 0.000 1.019 163 N CA 0.879 53.879 53.050 -0.083 0.000 0.857 163 N CB -0.491 37.849 38.487 -0.245 0.000 0.997 163 N HN 0.489 nan 8.380 nan 0.000 0.426 164 Y N -0.045 120.391 120.300 0.228 0.000 2.632 164 Y HA 0.054 4.604 4.550 -0.000 0.000 0.301 164 Y C 1.968 177.920 175.900 0.087 0.000 1.172 164 Y CA -0.066 58.145 58.100 0.186 0.000 1.328 164 Y CB -0.304 38.275 38.460 0.199 0.000 1.016 164 Y HN -0.125 nan 8.280 nan 0.000 0.529 165 V N 0.305 120.285 119.914 0.110 0.000 2.453 165 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 165 V C 2.412 178.447 176.094 -0.098 0.000 1.048 165 V CA 1.878 64.180 62.300 0.004 0.000 1.049 165 V CB -0.416 31.406 31.823 -0.002 0.000 0.672 165 V HN 0.581 nan 8.190 nan 0.000 0.457 166 N N 0.130 118.811 118.700 -0.033 0.000 2.106 166 N HA -0.155 4.584 4.740 -0.000 0.000 0.188 166 N C 1.936 177.352 175.510 -0.157 0.000 1.029 166 N CA 1.868 54.854 53.050 -0.107 0.000 0.848 166 N CB 0.059 38.571 38.487 0.041 0.000 1.007 166 N HN 0.422 nan 8.380 nan 0.000 0.423 167 S N 0.706 116.353 115.700 -0.088 0.000 2.368 167 S HA -0.041 4.429 4.470 -0.000 0.000 0.225 167 S C 2.141 176.728 174.600 -0.023 0.000 1.030 167 S CA 1.099 59.277 58.200 -0.037 0.000 0.999 167 S CB -0.356 62.885 63.200 0.067 0.000 0.844 167 S HN 0.575 nan 8.310 nan 0.000 0.459 168 A N 1.602 124.410 122.820 -0.021 0.000 1.877 168 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 168 A C 2.134 179.640 177.584 -0.131 0.000 1.186 168 A CA 1.254 53.265 52.037 -0.044 0.000 0.620 168 A CB -0.835 18.144 19.000 -0.035 0.000 0.822 168 A HN 0.442 nan 8.150 nan 0.000 0.443 169 L N -0.774 120.277 121.223 -0.286 0.000 2.012 169 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 169 L C 3.116 179.814 176.870 -0.287 0.000 1.073 169 L CA 1.269 55.821 54.840 -0.480 0.000 0.748 169 L CB -0.564 40.763 42.059 -1.219 0.000 0.891 169 L HN 0.451 nan 8.230 nan 0.000 0.431 170 A N -0.158 122.542 122.820 -0.200 0.000 1.898 170 A HA -0.236 4.083 4.320 -0.000 0.000 0.216 170 A C 2.297 179.900 177.584 0.030 0.000 1.181 170 A CA 1.910 53.957 52.037 0.016 0.000 0.620 170 A CB -0.388 18.628 19.000 0.028 0.000 0.819 170 A HN 0.223 nan 8.150 nan 0.000 0.442 171 K N -0.029 120.372 120.400 0.002 0.000 2.026 171 K HA -0.025 4.295 4.320 -0.000 0.000 0.208 171 K C 1.942 178.558 176.600 0.026 0.000 1.048 171 K CA 1.970 58.270 56.287 0.022 0.000 0.929 171 K CB -0.494 32.021 32.500 0.025 0.000 0.713 171 K HN 0.500 nan 8.250 nan 0.000 0.439 172 M N 0.255 119.862 119.600 0.011 0.000 2.117 172 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 172 M C 2.235 178.568 176.300 0.055 0.000 1.065 172 M CA 1.914 57.228 55.300 0.023 0.000 1.114 172 M CB -0.413 32.190 32.600 0.006 0.000 1.361 172 M HN 0.321 nan 8.290 nan 0.000 0.408 173 E N 0.622 120.871 120.200 0.081 0.000 2.058 173 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 173 E C 1.980 178.641 176.600 0.102 0.000 0.997 173 E CA 1.466 57.941 56.400 0.124 0.000 0.801 173 E CB 0.018 29.839 29.700 0.202 0.000 0.746 173 E HN 0.470 nan 8.360 nan 0.000 0.450 174 A N 0.537 123.405 122.820 0.080 0.000 1.877 174 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 174 A C 2.431 180.054 177.584 0.066 0.000 1.186 174 A CA 1.602 53.675 52.037 0.059 0.000 0.620 174 A CB -0.762 18.257 19.000 0.033 0.000 0.822 174 A HN 0.235 nan 8.150 nan 0.000 0.443 175 V N -0.113 119.836 119.914 0.059 0.000 2.295 175 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 175 V C 3.051 179.190 176.094 0.076 0.000 1.049 175 V CA 1.962 64.298 62.300 0.060 0.000 1.024 175 V CB -1.263 30.587 31.823 0.044 0.000 0.648 175 V HN 0.617 nan 8.190 nan 0.000 0.447 176 A N -0.113 122.752 122.820 0.075 0.000 2.024 176 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 176 A C 2.267 179.913 177.584 0.103 0.000 1.164 176 A CA 1.898 53.982 52.037 0.078 0.000 0.643 176 A CB -0.576 18.468 19.000 0.074 0.000 0.806 176 A HN 0.602 nan 8.150 nan 0.000 0.451 177 A N -2.057 120.843 122.820 0.133 0.000 2.167 177 A HA 0.401 4.721 4.320 -0.000 0.000 0.214 177 A C 1.779 179.537 177.584 0.290 0.000 1.151 177 A CA 1.288 53.446 52.037 0.201 0.000 0.735 177 A CB -0.708 18.424 19.000 0.220 0.000 0.802 177 A HN 1.868 nan 8.150 nan 0.000 0.467 178 G N -2.535 106.395 108.800 0.217 0.000 2.144 178 G HA2 0.178 4.138 3.960 -0.000 0.000 0.218 178 G HA3 0.178 4.138 3.960 -0.000 0.000 0.218 178 G C 0.318 175.363 174.900 0.241 0.000 0.988 178 G CA 0.293 45.545 45.100 0.254 0.000 0.659 178 G HN 1.460 nan 8.290 nan 0.000 0.522 179 A N -0.595 122.295 122.820 0.116 0.000 2.263 179 A HA 0.770 5.090 4.320 -0.000 0.000 0.318 179 A C 0.952 178.542 177.584 0.010 0.000 1.111 179 A CA 0.418 52.445 52.037 -0.016 0.000 0.901 179 A CB 0.753 19.675 19.000 -0.129 0.000 1.280 179 A HN 0.016 nan 8.150 nan 0.000 0.503 180 D N -0.973 119.419 120.400 -0.014 0.000 2.262 180 D HA 0.148 4.788 4.640 -0.000 0.000 0.212 180 D C 0.083 176.392 176.300 0.015 0.000 0.964 180 D CA 1.097 55.104 54.000 0.011 0.000 0.875 180 D CB 0.559 41.367 40.800 0.013 0.000 0.996 180 D HN 0.548 nan 8.370 nan 0.000 0.497 181 E N -0.463 119.737 120.200 -0.000 0.000 2.413 181 E HA 0.573 4.923 4.350 -0.000 0.000 0.277 181 E C -1.741 174.859 176.600 -0.001 0.000 0.958 181 E CA -0.878 55.529 56.400 0.013 0.000 0.779 181 E CB 1.905 31.620 29.700 0.025 0.000 1.278 181 E HN -0.059 nan 8.360 nan 0.000 0.456 182 A N 1.914 124.742 122.820 0.014 0.000 2.303 182 A HA 0.694 5.014 4.320 -0.000 0.000 0.317 182 A C -1.268 176.319 177.584 0.004 0.000 1.149 182 A CA -0.574 51.469 52.037 0.011 0.000 0.822 182 A CB 0.638 19.657 19.000 0.032 0.000 1.131 182 A HN 0.469 nan 8.150 nan 0.000 0.493 183 L N 2.670 123.890 121.223 -0.005 0.000 2.319 183 L HA 0.633 4.973 4.340 -0.000 0.000 0.281 183 L C -1.317 175.544 176.870 -0.014 0.000 1.005 183 L CA -0.301 54.529 54.840 -0.016 0.000 0.828 183 L CB 0.849 42.890 42.059 -0.030 0.000 1.227 183 L HN 0.541 nan 8.230 nan 0.000 0.415 184 L N 5.478 126.688 121.223 -0.022 0.000 2.343 184 L HA 0.554 4.893 4.340 -0.000 0.000 0.275 184 L C -0.176 176.670 176.870 -0.040 0.000 1.056 184 L CA -0.049 54.774 54.840 -0.027 0.000 0.804 184 L CB 1.424 43.450 42.059 -0.055 0.000 1.203 184 L HN 0.507 nan 8.230 nan 0.000 0.440 185 L N 0.734 121.936 121.223 -0.035 0.000 2.332 185 L HA 0.534 4.874 4.340 -0.000 0.000 0.269 185 L C -0.384 176.472 176.870 -0.023 0.000 1.016 185 L CA -1.157 53.664 54.840 -0.031 0.000 0.809 185 L CB 1.541 43.573 42.059 -0.045 0.000 1.280 185 L HN 0.637 nan 8.230 nan 0.000 0.447 186 D N -0.981 119.424 120.400 0.009 0.000 2.433 186 D HA 0.028 4.668 4.640 -0.000 0.000 0.255 186 D C 0.592 176.905 176.300 0.021 0.000 1.226 186 D CA -0.513 53.497 54.000 0.017 0.000 1.015 186 D CB 0.654 41.487 40.800 0.054 0.000 1.091 186 D HN 0.493 nan 8.370 nan 0.000 0.527 187 E N -0.924 119.294 120.200 0.030 0.000 2.265 187 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 187 E C 1.133 177.745 176.600 0.020 0.000 0.996 187 E CA 1.116 57.530 56.400 0.024 0.000 0.832 187 E CB -0.056 29.667 29.700 0.037 0.000 0.756 187 E HN 0.459 nan 8.360 nan 0.000 0.491 188 E N -1.484 118.750 120.200 0.056 0.000 2.435 188 E HA 0.169 4.519 4.350 -0.000 0.000 0.195 188 E C 1.173 177.745 176.600 -0.046 0.000 1.029 188 E CA 0.772 57.209 56.400 0.063 0.000 0.865 188 E CB 0.296 30.115 29.700 0.200 0.000 0.833 188 E HN 0.331 nan 8.360 nan 0.000 0.510 189 G N -0.979 107.782 108.800 -0.064 0.000 2.184 189 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.206 189 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.206 189 G C -0.173 174.573 174.900 -0.255 0.000 0.995 189 G CA -0.257 44.733 45.100 -0.184 0.000 0.651 189 G HN 0.221 nan 8.290 nan 0.000 0.511 190 Y N 0.099 120.360 120.300 -0.066 0.000 2.316 190 Y HA 0.531 5.081 4.550 -0.000 0.000 0.324 190 Y C 1.259 177.104 175.900 -0.091 0.000 1.267 190 Y CA -0.735 57.315 58.100 -0.083 0.000 1.311 190 Y CB 1.218 39.638 38.460 -0.068 0.000 1.267 190 Y HN 0.032 nan 8.280 nan 0.000 0.516 191 V N 2.658 122.611 119.914 0.065 0.000 2.585 191 V HA 0.113 4.233 4.120 -0.000 0.000 0.296 191 V C 0.517 176.611 176.094 -0.000 0.000 1.035 191 V CA 0.796 63.085 62.300 -0.017 0.000 1.084 191 V CB 0.300 32.077 31.823 -0.076 0.000 0.953 191 V HN 1.045 nan 8.190 nan 0.000 0.483 192 A N 4.679 127.486 122.820 -0.022 0.000 2.283 192 A HA 0.565 4.885 4.320 -0.000 0.000 0.225 192 A C 0.515 178.078 177.584 -0.035 0.000 2.109 192 A CA 0.705 52.725 52.037 -0.028 0.000 0.889 192 A CB 0.281 19.252 19.000 -0.048 0.000 1.437 192 A HN 0.922 nan 8.150 nan 0.000 0.595 193 E N -2.770 117.408 120.200 -0.038 0.000 2.402 193 E HA 0.495 4.845 4.350 -0.000 0.000 0.270 193 E C 0.065 176.657 176.600 -0.014 0.000 1.131 193 E CA -0.611 55.777 56.400 -0.020 0.000 0.884 193 E CB 0.196 29.895 29.700 -0.002 0.000 1.564 193 E HN 0.570 nan 8.360 nan 0.000 0.456 194 G N -0.172 108.636 108.800 0.014 0.000 2.621 194 G HA2 0.257 4.216 3.960 -0.000 0.000 0.271 194 G HA3 0.257 4.216 3.960 -0.000 0.000 0.271 194 G C 0.886 175.802 174.900 0.027 0.000 1.236 194 G CA -0.017 45.098 45.100 0.024 0.000 0.958 194 G HN 0.679 nan 8.290 nan 0.000 0.512 195 S N -1.638 114.085 115.700 0.038 0.000 2.419 195 S HA 0.093 4.563 4.470 -0.000 0.000 0.235 195 S C 1.443 176.109 174.600 0.109 0.000 1.019 195 S CA 1.299 59.526 58.200 0.045 0.000 0.982 195 S CB 0.005 63.240 63.200 0.058 0.000 0.789 195 S HN 1.646 nan 8.310 nan 0.000 0.490 196 G N -0.032 108.849 108.800 0.135 0.000 5.602 196 G HA2 0.486 4.446 3.960 -0.000 0.000 0.197 196 G HA3 0.486 4.446 3.960 -0.000 0.000 0.197 196 G C -0.945 174.060 174.900 0.175 0.000 0.705 196 G CA -0.612 44.612 45.100 0.206 0.000 0.662 196 G HN 0.346 nan 8.290 nan 0.000 0.365 197 E N -0.002 120.275 120.200 0.129 0.000 2.308 197 E HA 0.347 4.697 4.350 -0.000 0.000 0.275 197 E C -0.685 175.975 176.600 0.101 0.000 0.890 197 E CA -0.699 55.776 56.400 0.124 0.000 0.754 197 E CB 1.576 31.344 29.700 0.112 0.000 1.207 197 E HN 0.244 nan 8.360 nan 0.000 0.426 198 N N 1.576 120.347 118.700 0.118 0.000 2.530 198 N HA 0.327 5.066 4.740 -0.000 0.000 0.277 198 N C -0.854 174.708 175.510 0.087 0.000 1.168 198 N CA -0.435 52.661 53.050 0.077 0.000 0.979 198 N CB 0.713 39.252 38.487 0.087 0.000 1.141 198 N HN 0.155 nan 8.380 nan 0.000 0.459 199 L N 2.141 123.349 121.223 -0.025 0.000 2.334 199 L HA 0.581 4.920 4.340 -0.000 0.000 0.272 199 L C -0.817 175.941 176.870 -0.187 0.000 1.020 199 L CA -0.295 54.532 54.840 -0.022 0.000 0.812 199 L CB 0.849 42.894 42.059 -0.023 0.000 1.264 199 L HN 0.544 nan 8.230 nan 0.000 0.439 200 F N 1.711 121.417 119.950 -0.406 0.000 2.626 200 F HA 0.632 5.159 4.527 -0.000 0.000 0.311 200 F C -0.199 175.397 175.800 -0.339 0.000 1.088 200 F CA -0.795 56.854 58.000 -0.584 0.000 0.949 200 F CB 2.015 40.103 39.000 -1.520 0.000 1.322 200 F HN 0.315 nan 8.300 nan 0.000 0.461 201 F N -0.778 119.128 119.950 -0.075 0.000 2.654 201 F HA 0.884 5.411 4.527 -0.000 0.000 0.308 201 F C -2.123 173.802 175.800 0.209 0.000 1.108 201 F CA -1.363 56.661 58.000 0.040 0.000 0.957 201 F CB 1.086 40.093 39.000 0.012 0.000 1.309 201 F HN 0.209 nan 8.300 nan 0.000 0.446 202 V N 2.286 122.403 119.914 0.338 0.000 2.555 202 V HA 0.827 4.947 4.120 -0.000 0.000 0.302 202 V C -0.904 175.386 176.094 0.326 0.000 1.038 202 V CA -0.620 61.830 62.300 0.250 0.000 0.887 202 V CB 1.673 33.610 31.823 0.190 0.000 0.991 202 V HN 0.869 nan 8.190 nan 0.000 0.434 203 R N 2.632 123.337 120.500 0.340 0.000 2.522 203 R HA 0.466 4.806 4.340 -0.000 0.000 0.283 203 R C -1.016 175.436 176.300 0.254 0.000 1.074 203 R CA -0.405 55.884 56.100 0.316 0.000 0.925 203 R CB 0.845 31.362 30.300 0.361 0.000 1.205 203 R HN 0.724 nan 8.270 nan 0.000 0.436 204 D N 3.824 124.328 120.400 0.175 0.000 2.697 204 D HA -0.183 4.457 4.640 -0.000 0.000 0.235 204 D C 0.808 177.179 176.300 0.119 0.000 1.167 204 D CA 2.287 56.367 54.000 0.134 0.000 0.656 204 D CB -1.017 39.860 40.800 0.129 0.000 1.025 204 D HN 1.037 nan 8.370 nan 0.000 0.419 205 G N -2.454 106.414 108.800 0.114 0.000 2.245 205 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.264 205 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.264 205 G C 0.436 175.384 174.900 0.080 0.000 0.985 205 G CA 0.369 45.533 45.100 0.106 0.000 0.625 205 G HN 0.652 nan 8.290 nan 0.000 0.536 206 V N 1.894 121.826 119.914 0.030 0.000 2.472 206 V HA 0.593 4.713 4.120 -0.000 0.000 0.290 206 V C 0.739 176.666 176.094 -0.278 0.000 1.037 206 V CA -0.735 61.471 62.300 -0.158 0.000 0.908 206 V CB 1.815 33.442 31.823 -0.326 0.000 0.985 206 V HN 0.297 nan 8.190 nan 0.000 0.454 207 I N 4.646 125.028 120.570 -0.313 0.000 2.325 207 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 207 I C -1.029 174.804 176.117 -0.473 0.000 1.019 207 I CA -0.268 60.890 61.300 -0.237 0.000 1.302 207 I CB 0.653 38.605 38.000 -0.081 0.000 1.401 207 I HN 0.526 nan 8.210 nan 0.000 0.485 208 Y N 5.165 125.235 120.300 -0.383 0.000 2.331 208 Y HA 0.584 5.134 4.550 -0.000 0.000 0.338 208 Y C 0.459 176.068 175.900 -0.486 0.000 0.976 208 Y CA -0.703 57.041 58.100 -0.592 0.000 1.137 208 Y CB 1.575 39.214 38.460 -1.368 0.000 1.172 208 Y HN 0.581 nan 8.280 nan 0.000 0.478 209 A N 4.823 127.474 122.820 -0.282 0.000 2.301 209 A HA 0.668 4.988 4.320 -0.000 0.000 0.312 209 A C -0.539 176.803 177.584 -0.402 0.000 1.182 209 A CA -0.728 50.942 52.037 -0.612 0.000 0.826 209 A CB 0.484 19.147 19.000 -0.562 0.000 1.134 209 A HN 0.821 nan 8.150 nan 0.000 0.501 210 L N 1.875 122.846 121.223 -0.420 0.000 2.417 210 L HA 0.190 4.530 4.340 -0.000 0.000 0.268 210 L C 0.867 177.578 176.870 -0.265 0.000 1.158 210 L CA -0.250 54.460 54.840 -0.216 0.000 0.819 210 L CB 0.455 42.428 42.059 -0.143 0.000 1.112 210 L HN 0.796 nan 8.230 nan 0.000 0.458 211 E N 0.708 120.792 120.200 -0.193 0.000 2.425 211 E HA -0.063 4.287 4.350 -0.000 0.000 0.258 211 E C 0.733 177.218 176.600 -0.191 0.000 1.151 211 E CA -0.323 55.944 56.400 -0.223 0.000 0.958 211 E CB 0.594 30.213 29.700 -0.136 0.000 0.968 211 E HN 0.464 nan 8.360 nan 0.000 0.451 212 H N 0.939 119.972 119.070 -0.063 0.000 2.423 212 H HA -0.130 4.425 4.556 -0.000 0.000 0.297 212 H C 1.810 177.118 175.328 -0.033 0.000 1.075 212 H CA 1.130 57.151 56.048 -0.045 0.000 1.342 212 H CB -0.280 29.465 29.762 -0.028 0.000 1.395 212 H HN 0.687 nan 8.280 nan 0.000 0.530 213 S N 0.468 116.213 115.700 0.074 0.000 4.134 213 S HA -0.327 4.142 4.470 -0.000 0.000 0.538 213 S C 1.785 176.420 174.600 0.058 0.000 1.224 213 S CA 2.962 61.182 58.200 0.033 0.000 3.613 213 S CB -1.463 61.731 63.200 -0.010 0.000 2.065 213 S HN 0.376 nan 8.310 nan 0.000 0.493 214 V N -0.127 119.818 119.914 0.052 0.000 3.596 214 V HA 0.416 4.536 4.120 -0.000 0.000 0.289 214 V C 0.586 176.732 176.094 0.088 0.000 1.336 214 V CA -0.007 62.341 62.300 0.080 0.000 1.137 214 V CB -1.216 30.657 31.823 0.084 0.000 0.966 214 V HN 0.584 nan 8.190 nan 0.000 0.428 215 N N 1.042 119.784 118.700 0.070 0.000 2.408 215 N HA 0.441 5.180 4.740 -0.000 0.000 0.260 215 N C -0.581 174.981 175.510 0.088 0.000 1.242 215 N CA -0.451 52.642 53.050 0.072 0.000 0.959 215 N CB 1.708 40.231 38.487 0.059 0.000 1.201 215 N HN 0.306 nan 8.380 nan 0.000 0.511 216 L N 0.572 121.849 121.223 0.092 0.000 2.371 216 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 216 L C 0.218 177.123 176.870 0.059 0.000 1.124 216 L CA -0.046 54.838 54.840 0.073 0.000 0.816 216 L CB 0.422 42.546 42.059 0.108 0.000 1.129 216 L HN 0.422 nan 8.230 nan 0.000 0.448 217 E N 3.956 124.137 120.200 -0.032 0.000 1.814 217 E HA 0.199 4.549 4.350 -0.000 0.000 0.264 217 E C 0.177 176.792 176.600 0.024 0.000 1.179 217 E CA -0.217 56.142 56.400 -0.068 0.000 0.972 217 E CB 0.114 29.616 29.700 -0.331 0.000 1.077 217 E HN 0.817 nan 8.360 nan 0.000 0.417 218 G N 2.138 110.993 108.800 0.091 0.000 2.353 218 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.239 218 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.239 218 G C 0.776 175.711 174.900 0.058 0.000 1.295 218 G CA -0.319 44.835 45.100 0.091 0.000 0.884 218 G HN 0.556 nan 8.290 nan 0.000 0.537 219 I N 1.290 121.866 120.570 0.010 0.000 2.500 219 I HA -0.106 4.064 4.170 -0.000 0.000 0.252 219 I C 2.739 178.867 176.117 0.018 0.000 1.142 219 I CA 1.000 62.261 61.300 -0.066 0.000 1.451 219 I CB -0.009 37.836 38.000 -0.258 0.000 1.093 219 I HN 0.498 nan 8.210 nan 0.000 0.430 220 T N 0.343 114.955 114.554 0.095 0.000 2.857 220 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 220 T C 1.980 176.704 174.700 0.041 0.000 1.048 220 T CA 0.969 63.097 62.100 0.047 0.000 1.139 220 T CB -0.234 68.625 68.868 -0.014 0.000 0.874 220 T HN 0.308 nan 8.240 nan 0.000 0.455 221 R N 1.245 121.837 120.500 0.153 0.000 2.080 221 R HA -0.177 4.163 4.340 -0.000 0.000 0.236 221 R C 2.198 178.662 176.300 0.273 0.000 1.137 221 R CA 2.240 58.536 56.100 0.328 0.000 0.943 221 R CB -0.503 29.939 30.300 0.235 0.000 0.846 221 R HN 0.375 nan 8.270 nan 0.000 0.431 222 D N -0.343 120.146 120.400 0.148 0.000 2.104 222 D HA -0.130 4.510 4.640 -0.000 0.000 0.194 222 D C 1.714 178.082 176.300 0.113 0.000 0.994 222 D CA 2.026 56.099 54.000 0.121 0.000 0.830 222 D CB 0.023 40.855 40.800 0.055 0.000 0.959 222 D HN 0.195 nan 8.370 nan 0.000 0.452 223 S N -0.815 114.888 115.700 0.006 0.000 2.368 223 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 223 S C 2.193 176.864 174.600 0.118 0.000 1.030 223 S CA 1.044 59.209 58.200 -0.059 0.000 0.999 223 S CB -0.342 62.792 63.200 -0.110 0.000 0.844 223 S HN 0.191 nan 8.310 nan 0.000 0.459 224 V N 2.056 122.003 119.914 0.055 0.000 2.407 224 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 224 V C 2.053 178.208 176.094 0.102 0.000 1.055 224 V CA 1.445 63.741 62.300 -0.007 0.000 1.049 224 V CB -0.714 30.983 31.823 -0.210 0.000 0.662 224 V HN 0.442 nan 8.190 nan 0.000 0.455 225 I N -0.048 120.653 120.570 0.218 0.000 2.179 225 I HA -0.245 3.924 4.170 -0.000 0.000 0.242 225 I C 2.756 178.998 176.117 0.208 0.000 1.088 225 I CA 1.704 63.147 61.300 0.239 0.000 1.357 225 I CB -0.379 37.762 38.000 0.236 0.000 1.051 225 I HN 0.258 nan 8.210 nan 0.000 0.409 226 R N 1.789 122.438 120.500 0.248 0.000 2.073 226 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 226 R C 2.048 178.515 176.300 0.279 0.000 1.134 226 R CA 1.824 58.098 56.100 0.290 0.000 0.952 226 R CB -0.818 29.752 30.300 0.450 0.000 0.850 226 R HN 0.297 nan 8.270 nan 0.000 0.433 227 I N 0.525 121.251 120.570 0.259 0.000 2.163 227 I HA -0.279 3.890 4.170 -0.000 0.000 0.243 227 I C 2.388 178.638 176.117 0.221 0.000 1.085 227 I CA 1.501 62.935 61.300 0.223 0.000 1.347 227 I CB -0.554 37.520 38.000 0.124 0.000 1.044 227 I HN 0.376 nan 8.210 nan 0.000 0.408 228 A N 0.868 123.799 122.820 0.185 0.000 1.883 228 A HA -0.259 4.060 4.320 -0.000 0.000 0.217 228 A C 2.316 180.071 177.584 0.285 0.000 1.186 228 A CA 1.911 54.093 52.037 0.243 0.000 0.624 228 A CB -0.525 18.550 19.000 0.126 0.000 0.822 228 A HN 0.358 nan 8.150 nan 0.000 0.444 229 K N -0.577 119.943 120.400 0.201 0.000 2.057 229 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 229 K C 1.467 178.141 176.600 0.123 0.000 1.050 229 K CA 1.338 57.715 56.287 0.151 0.000 0.935 229 K CB -0.269 32.306 32.500 0.126 0.000 0.715 229 K HN 0.379 nan 8.250 nan 0.000 0.439 230 D N 1.049 121.541 120.400 0.153 0.000 2.218 230 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 230 D C 1.637 177.982 176.300 0.076 0.000 0.976 230 D CA 0.971 55.044 54.000 0.121 0.000 0.853 230 D CB -0.011 40.906 40.800 0.195 0.000 0.939 230 D HN 0.172 nan 8.370 nan 0.000 0.481 231 L N -0.871 120.409 121.223 0.096 0.000 2.554 231 L HA 0.157 4.497 4.340 -0.000 0.000 0.226 231 L C 1.516 178.296 176.870 -0.149 0.000 1.137 231 L CA 0.500 55.342 54.840 0.003 0.000 0.863 231 L CB 0.032 42.138 42.059 0.077 0.000 0.985 231 L HN 0.142 nan 8.230 nan 0.000 0.451 232 G N -1.612 107.136 108.800 -0.088 0.000 2.163 232 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.213 232 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.213 232 G C -0.062 174.746 174.900 -0.153 0.000 0.991 232 G CA -0.589 44.431 45.100 -0.134 0.000 0.653 232 G HN 0.162 nan 8.290 nan 0.000 0.518 233 Y N 0.936 121.240 120.300 0.006 0.000 2.301 233 Y HA 0.503 5.053 4.550 -0.000 0.000 0.328 233 Y C 0.913 176.802 175.900 -0.017 0.000 1.242 233 Y CA -0.285 57.811 58.100 -0.006 0.000 1.323 233 Y CB 0.761 39.220 38.460 -0.002 0.000 1.266 233 Y HN 0.245 nan 8.280 nan 0.000 0.527 234 E N 1.889 122.175 120.200 0.143 0.000 2.200 234 E HA 0.475 4.825 4.350 -0.000 0.000 0.283 234 E C -1.696 174.885 176.600 -0.031 0.000 1.015 234 E CA -0.435 55.983 56.400 0.030 0.000 0.819 234 E CB 0.745 30.437 29.700 -0.014 0.000 1.081 234 E HN 0.426 nan 8.360 nan 0.000 0.397 235 V N 5.009 124.899 119.914 -0.039 0.000 2.448 235 V HA 0.296 4.416 4.120 -0.000 0.000 0.295 235 V C -0.304 175.706 176.094 -0.141 0.000 1.025 235 V CA -0.698 61.548 62.300 -0.090 0.000 0.859 235 V CB 1.604 33.436 31.823 0.015 0.000 0.988 235 V HN 0.760 nan 8.190 nan 0.000 0.431 236 Q N 2.435 122.077 119.800 -0.263 0.000 2.377 236 Q HA 0.717 5.057 4.340 -0.000 0.000 0.271 236 Q C -1.461 174.465 176.000 -0.124 0.000 1.077 236 Q CA -0.793 54.896 55.803 -0.190 0.000 0.820 236 Q CB 3.076 31.671 28.738 -0.239 0.000 1.347 236 Q HN 0.570 nan 8.270 nan 0.000 0.444 237 V N 2.654 122.527 119.914 -0.067 0.000 2.384 237 V HA 0.591 4.710 4.120 -0.000 0.000 0.287 237 V C -0.249 175.827 176.094 -0.029 0.000 1.020 237 V CA -0.543 61.704 62.300 -0.089 0.000 0.850 237 V CB 1.227 32.973 31.823 -0.129 0.000 0.987 237 V HN 0.611 nan 8.190 nan 0.000 0.436 238 V N 2.543 122.451 119.914 -0.009 0.000 3.181 238 V HA 0.724 4.844 4.120 -0.000 0.000 0.308 238 V C -0.581 175.504 176.094 -0.014 0.000 1.214 238 V CA -1.296 61.014 62.300 0.015 0.000 1.053 238 V CB 2.115 33.993 31.823 0.092 0.000 1.069 238 V HN 0.846 nan 8.190 nan 0.000 0.441 239 R N 1.335 121.805 120.500 -0.051 0.000 2.457 239 R HA 0.859 5.199 4.340 -0.000 0.000 0.284 239 R C -0.339 175.950 176.300 -0.018 0.000 1.024 239 R CA 0.391 56.429 56.100 -0.103 0.000 1.025 239 R CB 1.418 31.553 30.300 -0.275 0.000 1.063 239 R HN 1.464 nan 8.270 nan 0.000 0.493 240 A N 1.797 124.628 122.820 0.018 0.000 2.515 240 A HA 0.540 4.860 4.320 -0.000 0.000 0.296 240 A C -0.779 176.823 177.584 0.030 0.000 1.094 240 A CA -0.711 51.325 52.037 -0.000 0.000 0.718 240 A CB 1.743 20.689 19.000 -0.091 0.000 1.307 240 A HN 0.834 nan 8.150 nan 0.000 0.408 241 T N -1.787 112.711 114.554 -0.093 0.000 2.952 241 T HA 0.459 4.809 4.350 -0.000 0.000 0.286 241 T C 1.218 175.715 174.700 -0.339 0.000 1.024 241 T CA -0.204 61.797 62.100 -0.164 0.000 1.029 241 T CB 1.260 70.020 68.868 -0.180 0.000 1.094 241 T HN 0.886 nan 8.240 nan 0.000 0.515 242 R N 1.086 121.351 120.500 -0.392 0.000 2.105 242 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 242 R C 1.014 176.678 176.300 -1.061 0.000 1.135 242 R CA 2.027 57.744 56.100 -0.638 0.000 0.967 242 R CB -0.989 28.982 30.300 -0.548 0.000 0.861 242 R HN 0.760 nan 8.270 nan 0.000 0.442 243 D N 0.507 120.465 120.400 -0.737 0.000 2.347 243 D HA -0.124 4.516 4.640 -0.000 0.000 0.215 243 D C 1.560 177.663 176.300 -0.329 0.000 0.976 243 D CA 0.597 54.280 54.000 -0.528 0.000 0.884 243 D CB -0.223 40.498 40.800 -0.131 0.000 0.915 243 D HN 0.459 nan 8.370 nan 0.000 0.526 244 Q N -0.115 119.444 119.800 -0.402 0.000 2.187 244 Q HA 0.110 4.450 4.340 -0.000 0.000 0.199 244 Q C 2.280 177.957 176.000 -0.539 0.000 0.957 244 Q CA 0.455 56.011 55.803 -0.411 0.000 0.857 244 Q CB 0.184 28.633 28.738 -0.482 0.000 0.929 244 Q HN 0.341 nan 8.270 nan 0.000 0.453 245 L N -0.826 120.041 121.223 -0.594 0.000 2.131 245 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 245 L C 1.971 178.764 176.870 -0.128 0.000 1.087 245 L CA 1.021 55.590 54.840 -0.453 0.000 0.767 245 L CB -0.525 41.296 42.059 -0.397 0.000 0.917 245 L HN 0.324 nan 8.230 nan 0.000 0.441 246 Y N 0.643 120.853 120.300 -0.150 0.000 2.207 246 Y HA -0.277 4.272 4.550 -0.000 0.000 0.287 246 Y C 2.493 178.360 175.900 -0.056 0.000 1.156 246 Y CA 0.983 59.032 58.100 -0.085 0.000 1.182 246 Y CB -0.172 38.245 38.460 -0.072 0.000 0.979 246 Y HN 0.319 nan 8.280 nan 0.000 0.521 247 M N -0.627 119.025 119.600 0.087 0.000 2.419 247 M HA 0.494 4.974 4.480 -0.000 0.000 0.252 247 M C 0.459 176.793 176.300 0.057 0.000 1.143 247 M CA -0.202 55.134 55.300 0.060 0.000 0.985 247 M CB 0.089 32.713 32.600 0.040 0.000 1.489 247 M HN -0.047 nan 8.290 nan 0.000 0.484 248 A N 1.198 124.049 122.820 0.053 0.000 2.346 248 A HA 0.220 4.540 4.320 -0.000 0.000 0.252 248 A C 0.472 178.144 177.584 0.146 0.000 1.089 248 A CA -0.271 51.850 52.037 0.140 0.000 0.797 248 A CB 0.349 19.467 19.000 0.197 0.000 1.047 248 A HN 0.465 nan 8.150 nan 0.000 0.494 249 D N -0.037 120.469 120.400 0.177 0.000 2.194 249 D HA 0.044 4.684 4.640 -0.000 0.000 0.204 249 D C 0.208 176.593 176.300 0.141 0.000 0.964 249 D CA 1.328 55.412 54.000 0.140 0.000 0.846 249 D CB 0.301 41.183 40.800 0.137 0.000 0.962 249 D HN 0.708 nan 8.370 nan 0.000 0.490 250 E N -0.717 119.596 120.200 0.188 0.000 2.412 250 E HA 0.508 4.858 4.350 -0.000 0.000 0.279 250 E C -1.364 175.396 176.600 0.267 0.000 0.984 250 E CA -0.658 55.862 56.400 0.200 0.000 0.788 250 E CB 3.306 33.124 29.700 0.196 0.000 1.277 250 E HN -0.287 nan 8.360 nan 0.000 0.455 251 V N 2.051 122.118 119.914 0.254 0.000 2.888 251 V HA 0.642 4.762 4.120 -0.000 0.000 0.309 251 V C -1.267 175.003 176.094 0.293 0.000 1.114 251 V CA -0.847 61.591 62.300 0.230 0.000 0.940 251 V CB 1.343 33.247 31.823 0.134 0.000 1.021 251 V HN 0.665 nan 8.190 nan 0.000 0.426 252 F N 2.215 122.238 119.950 0.121 0.000 2.668 252 F HA 0.919 5.446 4.527 -0.000 0.000 0.309 252 F C -0.882 174.990 175.800 0.119 0.000 1.117 252 F CA -1.355 56.679 58.000 0.057 0.000 0.951 252 F CB 1.882 40.854 39.000 -0.047 0.000 1.323 252 F HN 0.480 nan 8.300 nan 0.000 0.451 253 M N 1.387 121.139 119.600 0.252 0.000 2.644 253 M HA 0.846 5.326 4.480 -0.000 0.000 0.304 253 M C -0.989 175.431 176.300 0.201 0.000 1.215 253 M CA -0.725 54.690 55.300 0.192 0.000 0.871 253 M CB 2.338 35.014 32.600 0.126 0.000 1.740 253 M HN 0.796 nan 8.290 nan 0.000 0.464 254 T N -1.349 113.323 114.554 0.197 0.000 2.916 254 T HA 0.992 5.342 4.350 -0.000 0.000 0.292 254 T C -0.234 174.538 174.700 0.120 0.000 1.055 254 T CA -0.479 61.690 62.100 0.115 0.000 1.009 254 T CB 2.090 71.038 68.868 0.132 0.000 1.118 254 T HN 1.244 nan 8.240 nan 0.000 0.497 255 G N -0.013 108.839 108.800 0.087 0.000 2.411 255 G HA2 0.430 4.390 3.960 -0.000 0.000 0.295 255 G HA3 0.430 4.390 3.960 -0.000 0.000 0.295 255 G C 0.246 175.258 174.900 0.186 0.000 1.542 255 G CA -0.132 45.062 45.100 0.158 0.000 0.814 255 G HN 0.648 nan 8.290 nan 0.000 0.557 256 T N 0.931 115.653 114.554 0.280 0.000 2.684 256 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 256 T C 2.720 177.645 174.700 0.374 0.000 1.036 256 T CA 2.887 65.201 62.100 0.357 0.000 1.148 256 T CB -0.270 68.831 68.868 0.388 0.000 0.863 256 T HN 0.968 nan 8.240 nan 0.000 0.436 257 A N 0.933 123.979 122.820 0.377 0.000 1.930 257 A HA 0.411 4.731 4.320 -0.000 0.000 0.215 257 A C 2.472 180.197 177.584 0.235 0.000 1.176 257 A CA 1.366 53.645 52.037 0.403 0.000 0.632 257 A CB -0.752 18.453 19.000 0.342 0.000 0.819 257 A HN 0.480 nan 8.150 nan 0.000 0.445 258 A N -1.229 121.699 122.820 0.180 0.000 2.167 258 A HA 0.234 4.554 4.320 -0.000 0.000 0.214 258 A C 0.928 178.545 177.584 0.054 0.000 1.151 258 A CA 1.165 53.267 52.037 0.110 0.000 0.735 258 A CB -0.322 18.743 19.000 0.109 0.000 0.802 258 A HN 0.603 nan 8.150 nan 0.000 0.467 259 E N -2.206 118.026 120.200 0.052 0.000 3.289 259 E HA -0.254 4.095 4.350 -0.000 0.000 0.386 259 E C -0.483 175.989 176.600 -0.214 0.000 1.526 259 E CA 1.595 57.955 56.400 -0.067 0.000 1.519 259 E CB -1.125 28.605 29.700 0.051 0.000 1.657 259 E HN 0.283 nan 8.360 nan 0.000 0.479 260 V N 1.437 121.231 119.914 -0.201 0.000 2.326 260 V HA 0.337 4.457 4.120 -0.000 0.000 0.281 260 V C -0.445 175.599 176.094 -0.084 0.000 1.015 260 V CA -0.264 61.922 62.300 -0.190 0.000 0.823 260 V CB 1.537 33.165 31.823 -0.325 0.000 1.009 260 V HN 0.413 nan 8.190 nan 0.000 0.436 261 T N 7.763 122.326 114.554 0.015 0.000 2.772 261 T HA 0.416 4.766 4.350 -0.000 0.000 0.288 261 T C -2.659 172.097 174.700 0.093 0.000 0.994 261 T CA -1.324 60.799 62.100 0.038 0.000 0.951 261 T CB 1.824 70.725 68.868 0.054 0.000 0.933 261 T HN 0.323 nan 8.240 nan 0.000 0.447 262 P HA 0.231 nan 4.420 nan 0.000 0.271 262 P C -0.885 176.470 177.300 0.092 0.000 1.216 262 P CA -0.384 62.767 63.100 0.085 0.000 0.776 262 P CB 0.584 32.297 31.700 0.021 0.000 0.881 263 V N 2.993 122.978 119.914 0.118 0.000 2.357 263 V HA 0.142 4.262 4.120 -0.000 0.000 0.284 263 V C 1.137 177.272 176.094 0.067 0.000 1.018 263 V CA 0.159 62.506 62.300 0.079 0.000 0.841 263 V CB 1.152 33.024 31.823 0.081 0.000 0.991 263 V HN 0.657 nan 8.190 nan 0.000 0.437 264 S N 3.579 119.304 115.700 0.041 0.000 2.517 264 S HA 0.385 4.855 4.470 -0.000 0.000 0.214 264 S C 0.245 174.859 174.600 0.023 0.000 0.991 264 S CA -0.099 58.123 58.200 0.037 0.000 0.906 264 S CB 0.295 63.515 63.200 0.033 0.000 0.789 264 S HN 0.656 nan 8.310 nan 0.000 0.513 265 M N 0.878 120.476 119.600 -0.003 0.000 2.373 265 M HA 0.516 4.996 4.480 -0.000 0.000 0.290 265 M C -2.580 173.666 176.300 -0.091 0.000 1.143 265 M CA -0.579 54.698 55.300 -0.038 0.000 0.949 265 M CB 1.758 34.329 32.600 -0.048 0.000 1.756 265 M HN 0.119 nan 8.290 nan 0.000 0.494 266 I N 4.068 124.589 120.570 -0.083 0.000 2.499 266 I HA 0.330 4.500 4.170 -0.000 0.000 0.288 266 I C -0.672 175.345 176.117 -0.165 0.000 1.048 266 I CA -0.528 60.724 61.300 -0.080 0.000 1.062 266 I CB 2.023 40.087 38.000 0.106 0.000 1.238 266 I HN 0.785 nan 8.210 nan 0.000 0.426 267 D N 5.529 125.737 120.400 -0.320 0.000 2.686 267 D HA -0.238 4.402 4.640 -0.000 0.000 0.235 267 D C -0.127 175.997 176.300 -0.294 0.000 1.160 267 D CA 1.144 54.928 54.000 -0.360 0.000 0.645 267 D CB -0.784 39.972 40.800 -0.073 0.000 1.039 267 D HN 0.807 nan 8.370 nan 0.000 0.423 268 W N -1.983 119.285 121.300 -0.054 0.000 3.904 268 W HA -0.318 4.342 4.660 -0.000 0.000 0.312 268 W C 0.727 177.186 176.519 -0.100 0.000 1.159 268 W CA 0.237 57.545 57.345 -0.062 0.000 0.704 268 W CB -2.047 27.380 29.460 -0.056 0.000 2.209 268 W HN 0.160 nan 8.180 nan 0.000 1.468 269 R N 1.431 121.891 120.500 -0.066 0.000 2.360 269 R HA 0.299 4.639 4.340 -0.000 0.000 0.318 269 R C -2.008 174.257 176.300 -0.058 0.000 0.950 269 R CA -1.899 54.130 56.100 -0.118 0.000 0.837 269 R CB 1.092 31.170 30.300 -0.371 0.000 1.165 269 R HN -0.266 nan 8.270 nan 0.000 0.458 270 P HA 0.027 nan 4.420 nan 0.000 0.268 270 P C -0.377 176.938 177.300 0.025 0.000 1.205 270 P CA -0.018 63.091 63.100 0.015 0.000 0.771 270 P CB 0.877 32.593 31.700 0.027 0.000 0.858 271 I N 2.282 122.877 120.570 0.041 0.000 2.315 271 I HA 0.256 4.425 4.170 -0.000 0.000 0.291 271 I C 1.698 177.854 176.117 0.064 0.000 1.006 271 I CA 0.523 61.861 61.300 0.063 0.000 1.265 271 I CB -0.268 37.777 38.000 0.076 0.000 1.387 271 I HN 0.764 nan 8.210 nan 0.000 0.475 272 G N 7.838 116.679 108.800 0.068 0.000 2.622 272 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.307 272 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.307 272 G C 0.956 175.887 174.900 0.051 0.000 1.226 272 G CA 0.689 45.828 45.100 0.065 0.000 0.997 272 G HN 0.775 nan 8.290 nan 0.000 0.551 273 K N 1.971 122.400 120.400 0.048 0.000 2.504 273 K HA 0.340 4.660 4.320 -0.000 0.000 0.195 273 K C 1.774 178.396 176.600 0.036 0.000 1.036 273 K CA 1.412 57.723 56.287 0.039 0.000 0.984 273 K CB -0.085 32.437 32.500 0.036 0.000 0.788 273 K HN 2.401 nan 8.250 nan 0.000 0.488 274 G N 1.051 109.875 108.800 0.040 0.000 2.175 274 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 274 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 274 G C 0.212 175.133 174.900 0.036 0.000 0.982 274 G CA 0.488 45.610 45.100 0.037 0.000 0.641 274 G HN 0.698 nan 8.290 nan 0.000 0.527 275 T N -2.807 111.768 114.554 0.036 0.000 2.778 275 T HA 0.871 5.221 4.350 -0.000 0.000 0.293 275 T C 0.375 175.095 174.700 0.033 0.000 1.144 275 T CA 0.417 62.535 62.100 0.031 0.000 1.010 275 T CB 1.481 70.364 68.868 0.026 0.000 1.325 275 T HN 1.833 nan 8.240 nan 0.000 0.515 276 A N 0.002 122.838 122.820 0.025 0.000 2.483 276 A HA 0.604 4.924 4.320 -0.000 0.000 0.238 276 A C 0.881 178.475 177.584 0.016 0.000 1.070 276 A CA 0.183 52.232 52.037 0.020 0.000 0.770 276 A CB -0.767 18.233 19.000 -0.000 0.000 1.008 276 A HN 1.338 nan 8.150 nan 0.000 0.497 277 G N 0.633 109.443 108.800 0.017 0.000 2.488 277 G HA2 0.545 4.505 3.960 -0.000 0.000 0.318 277 G HA3 0.545 4.505 3.960 -0.000 0.000 0.318 277 G C -1.304 173.588 174.900 -0.014 0.000 1.188 277 G CA -0.910 44.199 45.100 0.016 0.000 0.944 277 G HN 0.479 nan 8.290 nan 0.000 0.495 278 P HA -0.096 nan 4.420 nan 0.000 0.217 278 P C 1.911 179.187 177.300 -0.041 0.000 1.150 278 P CA 0.709 63.804 63.100 -0.009 0.000 0.832 278 P CB 0.196 31.909 31.700 0.021 0.000 0.787 279 V N 1.216 121.090 119.914 -0.066 0.000 2.270 279 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 279 V C 2.943 178.833 176.094 -0.340 0.000 1.043 279 V CA 2.340 64.530 62.300 -0.183 0.000 1.014 279 V CB -1.752 29.932 31.823 -0.233 0.000 0.645 279 V HN 0.102 nan 8.190 nan 0.000 0.447 280 A N -0.274 122.322 122.820 -0.373 0.000 1.902 280 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 280 A C 2.224 179.570 177.584 -0.396 0.000 1.181 280 A CA 1.812 53.478 52.037 -0.619 0.000 0.623 280 A CB -0.583 18.163 19.000 -0.424 0.000 0.818 280 A HN 0.503 nan 8.150 nan 0.000 0.443 281 L N -1.257 119.836 121.223 -0.216 0.000 2.083 281 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 281 L C 2.767 179.562 176.870 -0.126 0.000 1.083 281 L CA 1.615 56.370 54.840 -0.141 0.000 0.752 281 L CB -0.418 41.593 42.059 -0.080 0.000 0.899 281 L HN 0.382 nan 8.230 nan 0.000 0.433 282 R N 0.835 121.266 120.500 -0.116 0.000 2.075 282 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 282 R C 2.099 178.349 176.300 -0.084 0.000 1.126 282 R CA 1.534 57.599 56.100 -0.058 0.000 0.963 282 R CB -0.667 29.642 30.300 0.016 0.000 0.858 282 R HN 0.243 nan 8.270 nan 0.000 0.435 283 L N 0.068 121.174 121.223 -0.196 0.000 2.056 283 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 283 L C 2.782 179.548 176.870 -0.173 0.000 1.078 283 L CA 1.678 56.383 54.840 -0.225 0.000 0.749 283 L CB -0.493 41.278 42.059 -0.479 0.000 0.901 283 L HN 0.263 nan 8.230 nan 0.000 0.433 284 R N 0.428 120.800 120.500 -0.213 0.000 2.073 284 R HA -0.246 4.094 4.340 -0.000 0.000 0.234 284 R C 2.241 178.512 176.300 -0.049 0.000 1.134 284 R CA 1.945 57.968 56.100 -0.128 0.000 0.952 284 R CB -0.075 30.138 30.300 -0.145 0.000 0.850 284 R HN 0.226 nan 8.270 nan 0.000 0.433 285 E N 0.152 120.313 120.200 -0.065 0.000 2.038 285 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 285 E C 1.847 178.423 176.600 -0.039 0.000 1.000 285 E CA 1.985 58.353 56.400 -0.052 0.000 0.803 285 E CB -0.295 29.379 29.700 -0.043 0.000 0.750 285 E HN 0.200 nan 8.360 nan 0.000 0.448 286 V N 0.423 120.333 119.914 -0.007 0.000 2.407 286 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 286 V C 2.208 178.302 176.094 -0.001 0.000 1.055 286 V CA 2.053 64.370 62.300 0.028 0.000 1.049 286 V CB -0.826 31.046 31.823 0.082 0.000 0.662 286 V HN 0.417 nan 8.190 nan 0.000 0.455 287 Y N 0.475 120.692 120.300 -0.140 0.000 2.181 287 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 287 Y C 2.238 177.961 175.900 -0.296 0.000 1.146 287 Y CA 1.693 59.662 58.100 -0.218 0.000 1.164 287 Y CB -0.115 38.199 38.460 -0.243 0.000 0.982 287 Y HN 0.140 nan 8.280 nan 0.000 0.515 288 L N 0.007 121.052 121.223 -0.297 0.000 2.141 288 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 288 L C 2.232 178.870 176.870 -0.386 0.000 1.094 288 L CA 1.516 56.096 54.840 -0.432 0.000 0.763 288 L CB -0.504 41.413 42.059 -0.237 0.000 0.908 288 L HN 0.309 nan 8.230 nan 0.000 0.437 289 E N 0.178 120.246 120.200 -0.220 0.000 2.150 289 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 289 E C 2.289 178.818 176.600 -0.118 0.000 0.985 289 E CA 1.005 57.328 56.400 -0.129 0.000 0.814 289 E CB -0.072 29.604 29.700 -0.039 0.000 0.752 289 E HN 0.498 nan 8.360 nan 0.000 0.466 290 A N 1.218 123.943 122.820 -0.158 0.000 1.855 290 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 290 A C 2.537 180.000 177.584 -0.201 0.000 1.191 290 A CA 1.532 53.539 52.037 -0.049 0.000 0.613 290 A CB -0.884 18.077 19.000 -0.064 0.000 0.829 290 A HN 0.233 nan 8.150 nan 0.000 0.442 291 V N -1.595 117.911 119.914 -0.680 0.000 2.759 291 V HA -0.100 4.020 4.120 -0.000 0.000 0.256 291 V C 1.925 177.705 176.094 -0.525 0.000 1.080 291 V CA 2.252 64.044 62.300 -0.847 0.000 1.101 291 V CB -1.726 29.055 31.823 -1.737 0.000 0.698 291 V HN 0.678 nan 8.190 nan 0.000 0.477 292 T N -2.535 111.775 114.554 -0.407 0.000 3.206 292 T HA 0.456 4.806 4.350 -0.000 0.000 0.253 292 T C 1.422 176.099 174.700 -0.038 0.000 1.042 292 T CA 0.423 62.415 62.100 -0.181 0.000 0.931 292 T CB -0.304 68.466 68.868 -0.164 0.000 1.029 292 T HN 1.667 nan 8.240 nan 0.000 0.564 293 G N 0.703 109.501 108.800 -0.004 0.000 2.273 293 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.280 293 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.280 293 G C 0.597 175.549 174.900 0.088 0.000 1.047 293 G CA 0.198 45.366 45.100 0.113 0.000 0.869 293 G HN 1.040 nan 8.290 nan 0.000 0.502 294 R N -0.684 119.840 120.500 0.039 0.000 2.508 294 R HA 0.461 4.801 4.340 -0.000 0.000 0.300 294 R C 0.842 177.160 176.300 0.029 0.000 0.970 294 R CA 0.581 56.696 56.100 0.025 0.000 1.102 294 R CB 0.260 30.558 30.300 -0.003 0.000 1.246 294 R HN 0.331 nan 8.270 nan 0.000 0.539 295 R N 0.899 121.435 120.500 0.060 0.000 2.352 295 R HA 0.262 4.602 4.340 -0.000 0.000 0.304 295 R C -2.398 173.897 176.300 -0.007 0.000 1.104 295 R CA -2.185 53.946 56.100 0.051 0.000 0.991 295 R CB 1.823 32.253 30.300 0.216 0.000 1.140 295 R HN 0.041 nan 8.270 nan 0.000 0.540 296 P HA -0.240 nan 4.420 nan 0.000 0.216 296 P C 1.151 178.356 177.300 -0.159 0.000 1.154 296 P CA 1.265 64.320 63.100 -0.075 0.000 0.865 296 P CB 0.334 31.987 31.700 -0.078 0.000 0.789 297 E N -0.932 119.080 120.200 -0.314 0.000 2.409 297 E HA -0.193 4.157 4.350 -0.000 0.000 0.198 297 E C 0.768 176.987 176.600 -0.636 0.000 1.024 297 E CA 1.309 57.405 56.400 -0.507 0.000 0.861 297 E CB -0.922 28.362 29.700 -0.693 0.000 0.788 297 E HN 0.456 nan 8.360 nan 0.000 0.521 298 Y N 0.247 120.443 120.300 -0.173 0.000 2.531 298 Y HA 0.222 4.772 4.550 -0.000 0.000 0.249 298 Y C 1.749 177.605 175.900 -0.074 0.000 1.168 298 Y CA -0.556 57.384 58.100 -0.267 0.000 1.226 298 Y CB 0.714 39.109 38.460 -0.108 0.000 1.177 298 Y HN -0.098 nan 8.280 nan 0.000 0.527 299 E N 0.526 120.772 120.200 0.077 0.000 2.267 299 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 299 E C 2.235 178.919 176.600 0.140 0.000 0.998 299 E CA 0.961 57.451 56.400 0.150 0.000 0.830 299 E CB -0.244 29.529 29.700 0.121 0.000 0.751 299 E HN 0.647 nan 8.360 nan 0.000 0.491 300 G N -0.100 108.718 108.800 0.029 0.000 2.470 300 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 300 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 300 G C 0.956 175.939 174.900 0.138 0.000 1.121 300 G CA 0.206 45.322 45.100 0.027 0.000 0.766 300 G HN 0.243 nan 8.290 nan 0.000 0.553 301 W N -0.182 121.155 121.300 0.061 0.000 2.905 301 W HA 0.416 5.076 4.660 -0.000 0.000 0.251 301 W C -0.041 176.428 176.519 -0.082 0.000 1.305 301 W CA -0.483 56.817 57.345 -0.076 0.000 1.465 301 W CB -0.316 29.076 29.460 -0.114 0.000 1.122 301 W HN -0.036 nan 8.180 nan 0.000 0.659 302 L N 0.090 121.454 121.223 0.235 0.000 2.322 302 L HA 0.358 4.697 4.340 -0.000 0.000 0.279 302 L C 0.425 177.316 176.870 0.035 0.000 1.036 302 L CA 0.060 54.954 54.840 0.090 0.000 0.807 302 L CB 1.517 43.562 42.059 -0.023 0.000 1.226 302 L HN -0.426 nan 8.230 nan 0.000 0.433 303 T N 2.306 116.835 114.554 -0.042 0.000 2.864 303 T HA 0.400 4.750 4.350 -0.000 0.000 0.310 303 T C -0.713 173.962 174.700 -0.041 0.000 1.040 303 T CA -0.323 61.790 62.100 0.022 0.000 0.977 303 T CB -0.077 68.809 68.868 0.029 0.000 0.976 303 T HN 0.098 nan 8.240 nan 0.000 0.459 304 Y N 2.116 122.455 120.300 0.065 0.000 2.436 304 Y HA 0.115 4.665 4.550 -0.000 0.000 0.336 304 Y C 1.670 177.596 175.900 0.042 0.000 1.049 304 Y CA -0.474 57.661 58.100 0.058 0.000 1.294 304 Y CB 0.435 38.925 38.460 0.050 0.000 1.179 304 Y HN 0.391 nan 8.280 nan 0.000 0.520 305 V N 2.454 122.452 119.914 0.140 0.000 2.490 305 V HA -0.231 3.888 4.120 -0.000 0.000 0.250 305 V C 0.835 176.984 176.094 0.092 0.000 1.061 305 V CA 1.341 63.695 62.300 0.089 0.000 1.064 305 V CB -0.581 31.278 31.823 0.059 0.000 0.670 305 V HN 0.717 nan 8.190 nan 0.000 0.461 306 N N 0.000 118.773 118.700 0.122 0.000 1.763 306 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 306 N CA 0.000 53.100 53.050 0.083 0.000 0.885 306 N CB 0.000 38.532 38.487 0.075 0.000 1.341 306 N HN 0.000 nan 8.380 nan 0.000 0.667