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 3beb_1_A DATA FIRST_RESID 4 DATA SEQUENCE NIKTMIPGVP QIDAESYILI DYNSGKVLAE QNADVRRDPA SLTKMMTSYV DATA SEQUENCE IGQAMKAGKF KETDLVTIGN DAWATGNPVF KGSSLMFLKP GMQVPVSQLI DATA SEQUENCE RGINLQSGND ACVAMADFAA GSQDAFVGLM NSYVNALGLK NTHFQTVHGL DATA SEQUENCE DADGQYSSAR DMALIGQALI RDVPNEYSIY KEKEFTFNGI RQLNRNGLLW DATA SEQUENCE DNSLNVDGIK TGHTDKAGYN LVASATEGQM RLISAVMGGR TFKGREAESK DATA SEQUENCE KLLTWGFRFF ETVNPLKVGK EFASEPVWFG DSDRASLGVD KDVYLTIPRG DATA SEQUENCE RMKDLKASYV LNSSELHAPL QKNQVVGTIN FQLDGKTIEQ RPLVVLQEIP DATA SEQUENCE EGNF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.513 175.510 0.005 0.000 1.280 4 N CA 0.000 53.054 53.050 0.007 0.000 0.885 4 N CB 0.000 38.491 38.487 0.007 0.000 1.341 5 I N 2.337 122.911 120.570 0.007 0.000 2.286 5 I HA -0.059 4.110 4.170 -0.003 0.000 0.245 5 I C 2.164 178.283 176.117 0.003 0.000 1.104 5 I CA 1.261 62.565 61.300 0.007 0.000 1.397 5 I CB -0.427 37.579 38.000 0.010 0.000 1.072 5 I HN 0.078 nan 8.210 nan 0.000 0.417 6 K N 0.567 120.969 120.400 0.003 0.000 2.032 6 K HA -0.150 4.168 4.320 -0.003 0.000 0.209 6 K C 1.731 178.331 176.600 -0.001 0.000 1.048 6 K CA 2.014 58.303 56.287 0.002 0.000 0.927 6 K CB -0.696 31.808 32.500 0.006 0.000 0.712 6 K HN 0.455 nan 8.250 nan 0.000 0.441 7 T N -1.343 113.213 114.554 0.002 0.000 3.163 7 T HA 0.170 4.518 4.350 -0.003 0.000 0.252 7 T C 0.834 175.532 174.700 -0.002 0.000 1.056 7 T CA -0.308 61.794 62.100 0.004 0.000 0.947 7 T CB -0.260 68.614 68.868 0.010 0.000 1.016 7 T HN 0.067 nan 8.240 nan 0.000 0.554 8 M N 2.223 121.817 119.600 -0.011 0.000 2.245 8 M HA 0.271 4.749 4.480 -0.003 0.000 0.335 8 M C -1.026 175.248 176.300 -0.042 0.000 1.155 8 M CA 0.439 55.725 55.300 -0.023 0.000 1.055 8 M CB 0.181 32.766 32.600 -0.025 0.000 1.670 8 M HN 0.218 nan 8.290 nan 0.000 0.447 9 I N 6.752 127.301 120.570 -0.036 0.000 2.355 9 I HA 0.381 4.549 4.170 -0.003 0.000 0.288 9 I C -2.062 174.008 176.117 -0.078 0.000 0.999 9 I CA -2.143 59.137 61.300 -0.034 0.000 1.163 9 I CB 1.088 39.104 38.000 0.027 0.000 1.316 9 I HN 0.575 nan 8.210 nan 0.000 0.454 10 P HA 0.181 nan 4.420 nan 0.000 0.271 10 P C 0.228 177.534 177.300 0.009 0.000 1.216 10 P CA -0.218 62.670 63.100 -0.353 0.000 0.776 10 P CB 0.625 31.723 31.700 -1.003 0.000 0.881 11 G N 1.470 110.273 108.800 0.005 0.000 2.467 11 G HA2 0.388 4.346 3.960 -0.003 0.000 0.257 11 G HA3 0.388 4.346 3.960 -0.003 0.000 0.257 11 G C -0.406 174.559 174.900 0.108 0.000 1.227 11 G CA -0.471 44.667 45.100 0.064 0.000 0.835 11 G HN 0.383 nan 8.290 nan 0.000 0.556 12 V N 4.069 123.943 119.914 -0.067 0.000 2.546 12 V HA 0.257 4.376 4.120 -0.003 0.000 0.284 12 V C -1.159 174.704 176.094 -0.385 0.000 1.050 12 V CA -1.183 60.820 62.300 -0.494 0.000 0.981 12 V CB 1.087 32.658 31.823 -0.420 0.000 0.990 12 V HN 0.738 nan 8.190 nan 0.000 0.474 13 P HA 0.149 nan 4.420 nan 0.000 0.272 13 P C -0.669 176.485 177.300 -0.243 0.000 1.240 13 P CA -0.575 62.356 63.100 -0.282 0.000 0.791 13 P CB 0.553 32.100 31.700 -0.256 0.000 0.978 14 Q N 0.706 120.421 119.800 -0.142 0.000 2.311 14 Q HA 0.251 4.589 4.340 -0.003 0.000 0.272 14 Q C -0.147 175.765 176.000 -0.146 0.000 1.012 14 Q CA 0.280 56.021 55.803 -0.104 0.000 0.891 14 Q CB 0.374 29.081 28.738 -0.052 0.000 1.201 14 Q HN 0.349 nan 8.270 nan 0.000 0.391 15 I N 2.303 122.787 120.570 -0.143 0.000 2.436 15 I HA 0.132 4.300 4.170 -0.003 0.000 0.289 15 I C -0.184 175.910 176.117 -0.039 0.000 1.010 15 I CA -0.800 60.390 61.300 -0.184 0.000 1.098 15 I CB 1.717 39.414 38.000 -0.505 0.000 1.266 15 I HN 0.455 nan 8.210 nan 0.000 0.434 16 D N 6.063 126.445 120.400 -0.029 0.000 2.522 16 D HA 0.626 5.264 4.640 -0.003 0.000 0.218 16 D C -0.464 175.861 176.300 0.043 0.000 1.149 16 D CA 0.103 54.112 54.000 0.014 0.000 0.981 16 D CB 0.391 41.194 40.800 0.005 0.000 1.041 16 D HN 0.731 nan 8.370 nan 0.000 0.518 17 A N 2.734 125.600 122.820 0.077 0.000 2.597 17 A HA 0.324 4.642 4.320 -0.003 0.000 0.292 17 A C 0.611 178.262 177.584 0.112 0.000 1.057 17 A CA -0.627 51.473 52.037 0.105 0.000 0.674 17 A CB 1.039 20.112 19.000 0.121 0.000 1.278 17 A HN 0.198 nan 8.150 nan 0.000 0.416 18 E N 0.296 120.552 120.200 0.093 0.000 2.208 18 E HA 0.076 4.424 4.350 -0.003 0.000 0.193 18 E C 0.053 176.681 176.600 0.046 0.000 0.988 18 E CA 1.383 57.820 56.400 0.062 0.000 0.828 18 E CB 0.168 29.895 29.700 0.046 0.000 0.763 18 E HN 0.496 nan 8.360 nan 0.000 0.478 19 S N -0.875 114.867 115.700 0.070 0.000 2.550 19 S HA 0.552 5.020 4.470 -0.003 0.000 0.270 19 S C -1.235 173.436 174.600 0.118 0.000 1.145 19 S CA -0.909 57.299 58.200 0.014 0.000 0.852 19 S CB 1.616 64.810 63.200 -0.009 0.000 1.119 19 S HN 0.250 nan 8.310 nan 0.000 0.465 20 Y N -0.241 120.050 120.300 -0.016 0.000 2.624 20 Y HA 0.847 5.396 4.550 -0.002 0.000 0.334 20 Y C -1.645 174.239 175.900 -0.028 0.000 1.155 20 Y CA -1.184 56.904 58.100 -0.019 0.000 1.046 20 Y CB 0.836 39.277 38.460 -0.032 0.000 1.316 20 Y HN 0.738 nan 8.280 nan 0.000 0.457 21 I N 2.524 123.192 120.570 0.165 0.000 2.994 21 I HA 0.686 4.854 4.170 -0.003 0.000 0.306 21 I C -2.175 174.034 176.117 0.152 0.000 1.195 21 I CA -1.397 59.960 61.300 0.094 0.000 1.001 21 I CB 2.418 40.416 38.000 -0.002 0.000 1.244 21 I HN 0.815 nan 8.210 nan 0.000 0.437 22 L N 7.861 129.149 121.223 0.108 0.000 2.446 22 L HA 0.648 4.986 4.340 -0.003 0.000 0.268 22 L C -1.347 175.520 176.870 -0.006 0.000 0.975 22 L CA -0.235 54.642 54.840 0.062 0.000 0.848 22 L CB 1.465 43.586 42.059 0.104 0.000 1.225 22 L HN 0.502 nan 8.230 nan 0.000 0.410 23 I N 0.111 120.664 120.570 -0.029 0.000 2.797 23 I HA 0.620 4.789 4.170 -0.003 0.000 0.307 23 I C -0.763 175.311 176.117 -0.072 0.000 1.033 23 I CA -0.665 60.600 61.300 -0.058 0.000 1.071 23 I CB 1.922 39.897 38.000 -0.041 0.000 1.255 23 I HN 0.520 nan 8.210 nan 0.000 0.445 24 D N 2.653 122.999 120.400 -0.089 0.000 2.264 24 D HA 0.049 4.688 4.640 -0.003 0.000 0.250 24 D C 0.182 176.460 176.300 -0.036 0.000 1.113 24 D CA -0.073 53.885 54.000 -0.069 0.000 0.871 24 D CB 1.235 41.984 40.800 -0.084 0.000 1.167 24 D HN 0.752 nan 8.370 nan 0.000 0.447 25 Y N 5.525 125.750 120.300 -0.125 0.000 2.200 25 Y HA -0.142 4.406 4.550 -0.003 0.000 0.290 25 Y C 1.578 177.374 175.900 -0.173 0.000 1.137 25 Y CA 1.485 59.502 58.100 -0.139 0.000 1.163 25 Y CB 0.092 38.467 38.460 -0.142 0.000 0.988 25 Y HN 0.395 nan 8.280 nan 0.000 0.518 26 N N -0.128 118.357 118.700 -0.359 0.000 2.135 26 N HA -0.140 4.598 4.740 -0.003 0.000 0.186 26 N C 1.993 177.287 175.510 -0.361 0.000 1.027 26 N CA 1.797 54.470 53.050 -0.627 0.000 0.849 26 N CB -0.410 37.545 38.487 -0.886 0.000 1.002 26 N HN 0.525 nan 8.380 nan 0.000 0.425 27 S N -0.805 114.789 115.700 -0.177 0.000 2.478 27 S HA 0.197 4.666 4.470 -0.003 0.000 0.222 27 S C 1.563 176.106 174.600 -0.094 0.000 1.008 27 S CA 0.804 58.963 58.200 -0.068 0.000 0.928 27 S CB 0.313 63.501 63.200 -0.019 0.000 0.781 27 S HN 0.416 nan 8.310 nan 0.000 0.518 28 G N 1.010 109.735 108.800 -0.125 0.000 2.184 28 G HA2 -0.321 3.637 3.960 -0.003 0.000 0.264 28 G HA3 -0.321 3.637 3.960 -0.003 0.000 0.264 28 G C 0.087 174.941 174.900 -0.077 0.000 0.975 28 G CA 0.391 45.429 45.100 -0.104 0.000 0.642 28 G HN 0.748 nan 8.290 nan 0.000 0.536 29 K N 0.941 121.295 120.400 -0.077 0.000 2.472 29 K HA 0.410 4.728 4.320 -0.003 0.000 0.280 29 K C 0.588 177.131 176.600 -0.096 0.000 1.028 29 K CA 0.009 56.249 56.287 -0.078 0.000 1.045 29 K CB 0.615 33.064 32.500 -0.085 0.000 0.902 29 K HN 0.236 nan 8.250 nan 0.000 0.478 30 V N 7.974 127.841 119.914 -0.078 0.000 2.408 30 V HA 0.087 4.205 4.120 -0.003 0.000 0.267 30 V C 1.145 177.180 176.094 -0.098 0.000 1.047 30 V CA -0.176 62.081 62.300 -0.072 0.000 0.937 30 V CB 0.652 32.447 31.823 -0.046 0.000 0.999 30 V HN 0.750 nan 8.190 nan 0.000 0.472 31 L N 3.844 124.988 121.223 -0.132 0.000 2.354 31 L HA 0.549 4.887 4.340 -0.003 0.000 0.212 31 L C 0.899 177.816 176.870 0.078 0.000 1.091 31 L CA 0.734 55.430 54.840 -0.239 0.000 0.828 31 L CB 0.060 41.824 42.059 -0.491 0.000 0.973 31 L HN 0.734 nan 8.230 nan 0.000 0.461 32 A N 0.732 123.614 122.820 0.103 0.000 2.577 32 A HA 0.626 4.944 4.320 -0.003 0.000 0.297 32 A C -1.324 176.314 177.584 0.090 0.000 1.060 32 A CA -0.468 51.651 52.037 0.137 0.000 0.697 32 A CB 1.300 20.364 19.000 0.106 0.000 1.281 32 A HN 0.161 nan 8.150 nan 0.000 0.402 33 E N 1.293 121.452 120.200 -0.068 0.000 2.363 33 E HA 0.613 4.962 4.350 -0.003 0.000 0.281 33 E C -1.347 174.877 176.600 -0.626 0.000 0.953 33 E CA -0.745 55.438 56.400 -0.363 0.000 0.778 33 E CB 1.707 31.293 29.700 -0.190 0.000 1.220 33 E HN 0.656 nan 8.360 nan 0.000 0.431 34 Q N 2.827 122.048 119.800 -0.965 0.000 2.269 34 Q HA 0.272 4.611 4.340 -0.003 0.000 0.263 34 Q C -1.019 174.752 176.000 -0.383 0.000 0.983 34 Q CA -0.548 54.886 55.803 -0.614 0.000 0.777 34 Q CB 0.872 29.221 28.738 -0.649 0.000 1.273 34 Q HN 0.680 nan 8.270 nan 0.000 0.440 35 N N 1.754 120.324 118.700 -0.217 0.000 2.740 35 N HA -0.225 4.514 4.740 -0.003 0.000 0.248 35 N C -0.043 175.392 175.510 -0.124 0.000 1.062 35 N CA 1.082 54.050 53.050 -0.136 0.000 0.704 35 N CB -1.168 37.260 38.487 -0.100 0.000 0.968 35 N HN 0.682 nan 8.380 nan 0.000 0.547 36 A N -0.944 121.793 122.820 -0.139 0.000 2.238 36 A HA 0.009 4.327 4.320 -0.003 0.000 0.208 36 A C 1.394 178.940 177.584 -0.063 0.000 1.177 36 A CA 0.779 52.751 52.037 -0.107 0.000 0.804 36 A CB 0.287 19.213 19.000 -0.123 0.000 0.823 36 A HN 0.261 nan 8.150 nan 0.000 0.482 37 D N -0.973 119.390 120.400 -0.061 0.000 2.479 37 D HA 0.134 4.773 4.640 -0.003 0.000 0.216 37 D C 0.145 176.415 176.300 -0.050 0.000 1.110 37 D CA 0.085 54.058 54.000 -0.046 0.000 0.841 37 D CB 0.392 41.164 40.800 -0.047 0.000 1.040 37 D HN 0.090 nan 8.370 nan 0.000 0.505 38 V N 2.465 122.345 119.914 -0.056 0.000 2.644 38 V HA -0.097 4.021 4.120 -0.003 0.000 0.305 38 V C 0.912 176.974 176.094 -0.054 0.000 1.053 38 V CA 0.397 62.660 62.300 -0.060 0.000 1.186 38 V CB 0.105 31.897 31.823 -0.052 0.000 0.895 38 V HN -0.042 nan 8.190 nan 0.000 0.490 39 R N 5.445 125.891 120.500 -0.091 0.000 2.401 39 R HA 0.508 4.846 4.340 -0.003 0.000 0.299 39 R C -0.054 176.225 176.300 -0.037 0.000 1.064 39 R CA -0.053 55.991 56.100 -0.093 0.000 1.000 39 R CB 0.560 30.676 30.300 -0.306 0.000 0.973 39 R HN 0.644 nan 8.270 nan 0.000 0.438 40 R N 0.987 121.505 120.500 0.030 0.000 2.740 40 R HA 0.112 4.450 4.340 -0.003 0.000 0.273 40 R C -1.281 175.066 176.300 0.080 0.000 0.998 40 R CA -1.152 54.972 56.100 0.040 0.000 0.900 40 R CB 1.653 31.973 30.300 0.033 0.000 1.223 40 R HN 0.510 nan 8.270 nan 0.000 0.466 41 D N 3.003 123.441 120.400 0.063 0.000 2.412 41 D HA 0.036 4.674 4.640 -0.003 0.000 0.257 41 D C -1.475 174.868 176.300 0.071 0.000 1.217 41 D CA -1.572 52.471 54.000 0.070 0.000 0.897 41 D CB 1.061 41.883 40.800 0.036 0.000 1.132 41 D HN 0.166 nan 8.370 nan 0.000 0.493 42 P HA 0.101 nan 4.420 nan 0.000 0.249 42 P C 0.554 177.915 177.300 0.103 0.000 1.229 42 P CA 0.592 63.760 63.100 0.113 0.000 0.788 42 P CB 0.037 31.837 31.700 0.167 0.000 1.072 43 A N 0.694 123.561 122.820 0.079 0.000 5.481 43 A HA -0.317 4.002 4.320 -0.003 0.000 0.318 43 A C 1.973 179.613 177.584 0.094 0.000 1.837 43 A CA 2.107 54.180 52.037 0.060 0.000 0.717 43 A CB -2.367 16.645 19.000 0.021 0.000 1.349 43 A HN 0.206 nan 8.150 nan 0.000 0.388 44 S N 0.012 115.766 115.700 0.090 0.000 2.515 44 S HA 0.074 4.542 4.470 -0.003 0.000 0.231 44 S C 1.615 176.281 174.600 0.111 0.000 0.987 44 S CA 1.198 59.459 58.200 0.102 0.000 0.936 44 S CB -0.505 62.756 63.200 0.103 0.000 0.766 44 S HN 0.495 nan 8.310 nan 0.000 0.528 45 L N 1.094 122.386 121.223 0.116 0.000 2.349 45 L HA -0.116 4.222 4.340 -0.003 0.000 0.220 45 L C 2.368 179.319 176.870 0.134 0.000 1.130 45 L CA 0.902 55.814 54.840 0.120 0.000 0.791 45 L CB -1.301 40.830 42.059 0.119 0.000 0.918 45 L HN 0.300 nan 8.230 nan 0.000 0.444 46 T N -0.004 114.639 114.554 0.150 0.000 2.759 46 T HA -0.188 4.160 4.350 -0.003 0.000 0.269 46 T C 1.720 176.383 174.700 -0.063 0.000 1.042 46 T CA 1.270 63.428 62.100 0.097 0.000 1.140 46 T CB -0.117 68.840 68.868 0.150 0.000 0.864 46 T HN 0.392 nan 8.240 nan 0.000 0.455 47 K N 0.658 121.075 120.400 0.028 0.000 2.585 47 K HA 0.120 4.438 4.320 -0.003 0.000 0.194 47 K C 1.992 178.648 176.600 0.093 0.000 1.037 47 K CA 0.552 56.866 56.287 0.044 0.000 0.964 47 K CB -0.180 32.364 32.500 0.072 0.000 0.787 47 K HN 0.370 nan 8.250 nan 0.000 0.488 48 M N -0.159 119.492 119.600 0.085 0.000 2.319 48 M HA -0.086 4.393 4.480 -0.003 0.000 0.265 48 M C 2.078 178.433 176.300 0.091 0.000 1.068 48 M CA 1.125 56.494 55.300 0.114 0.000 1.118 48 M CB 0.081 32.716 32.600 0.058 0.000 1.395 48 M HN 0.172 nan 8.290 nan 0.000 0.435 49 M N -0.552 119.029 119.600 -0.031 0.000 2.357 49 M HA -0.016 4.463 4.480 -0.003 0.000 0.266 49 M C 1.867 178.179 176.300 0.019 0.000 1.095 49 M CA 1.706 56.959 55.300 -0.078 0.000 1.156 49 M CB -0.582 31.759 32.600 -0.431 0.000 1.365 49 M HN 0.032 nan 8.290 nan 0.000 0.447 50 T N -0.406 114.173 114.554 0.043 0.000 2.635 50 T HA -0.177 4.171 4.350 -0.003 0.000 0.267 50 T C 1.970 176.838 174.700 0.281 0.000 1.040 50 T CA 2.081 64.348 62.100 0.279 0.000 1.156 50 T CB -0.687 68.243 68.868 0.103 0.000 0.863 50 T HN 0.503 nan 8.240 nan 0.000 0.430 51 S N -0.309 115.503 115.700 0.186 0.000 2.374 51 S HA -0.166 4.302 4.470 -0.003 0.000 0.227 51 S C 1.803 176.504 174.600 0.167 0.000 1.037 51 S CA 1.423 59.734 58.200 0.184 0.000 1.024 51 S CB -0.527 62.842 63.200 0.280 0.000 0.861 51 S HN 0.636 nan 8.310 nan 0.000 0.456 52 Y N 1.323 121.633 120.300 0.016 0.000 2.200 52 Y HA -0.075 4.474 4.550 -0.003 0.000 0.290 52 Y C 2.154 177.913 175.900 -0.235 0.000 1.137 52 Y CA 1.601 59.639 58.100 -0.103 0.000 1.163 52 Y CB -0.277 38.090 38.460 -0.155 0.000 0.988 52 Y HN 0.109 nan 8.280 nan 0.000 0.518 53 V N 0.569 120.372 119.914 -0.185 0.000 2.261 53 V HA -0.347 3.771 4.120 -0.003 0.000 0.246 53 V C 2.293 178.303 176.094 -0.140 0.000 1.047 53 V CA 2.242 64.360 62.300 -0.303 0.000 1.015 53 V CB -0.724 30.833 31.823 -0.443 0.000 0.642 53 V HN 0.435 nan 8.190 nan 0.000 0.446 54 I N 0.868 121.497 120.570 0.099 0.000 2.113 54 I HA -0.265 3.904 4.170 -0.003 0.000 0.242 54 I C 2.573 178.688 176.117 -0.004 0.000 1.064 54 I CA 2.072 63.492 61.300 0.199 0.000 1.320 54 I CB -0.917 37.247 38.000 0.274 0.000 1.028 54 I HN 0.425 nan 8.210 nan 0.000 0.406 55 G N -0.600 108.152 108.800 -0.081 0.000 2.432 55 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.219 55 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.219 55 G C 1.573 176.316 174.900 -0.262 0.000 1.135 55 G CA 0.258 45.269 45.100 -0.148 0.000 0.767 55 G HN 0.311 nan 8.290 nan 0.000 0.550 56 Q N 0.336 119.895 119.800 -0.401 0.000 2.167 56 Q HA 0.040 4.378 4.340 -0.003 0.000 0.202 56 Q C 2.952 178.805 176.000 -0.245 0.000 0.970 56 Q CA 1.215 56.788 55.803 -0.384 0.000 0.855 56 Q CB -0.384 28.018 28.738 -0.559 0.000 0.911 56 Q HN 0.470 nan 8.270 nan 0.000 0.438 57 A N 0.778 123.451 122.820 -0.244 0.000 1.873 57 A HA -0.133 4.185 4.320 -0.003 0.000 0.215 57 A C 2.166 179.447 177.584 -0.505 0.000 1.186 57 A CA 1.297 53.144 52.037 -0.317 0.000 0.616 57 A CB -0.457 18.375 19.000 -0.280 0.000 0.823 57 A HN 0.285 nan 8.150 nan 0.000 0.442 58 M N -0.639 118.638 119.600 -0.538 0.000 2.175 58 M HA -0.129 4.349 4.480 -0.003 0.000 0.264 58 M C 2.209 178.360 176.300 -0.249 0.000 1.063 58 M CA 1.905 56.931 55.300 -0.457 0.000 1.119 58 M CB -0.347 32.089 32.600 -0.274 0.000 1.377 58 M HN 0.480 nan 8.290 nan 0.000 0.415 59 K N 0.997 121.277 120.400 -0.199 0.000 2.209 59 K HA -0.091 4.228 4.320 -0.003 0.000 0.204 59 K C 1.567 178.095 176.600 -0.121 0.000 1.048 59 K CA 1.381 57.587 56.287 -0.135 0.000 0.940 59 K CB 0.007 32.431 32.500 -0.126 0.000 0.729 59 K HN 0.295 nan 8.250 nan 0.000 0.451 60 A N 0.109 122.840 122.820 -0.148 0.000 2.251 60 A HA 0.249 4.567 4.320 -0.003 0.000 0.209 60 A C 1.203 178.718 177.584 -0.115 0.000 1.187 60 A CA 0.583 52.553 52.037 -0.113 0.000 0.823 60 A CB -0.263 18.675 19.000 -0.102 0.000 0.846 60 A HN 0.528 nan 8.150 nan 0.000 0.486 61 G N -0.143 108.569 108.800 -0.146 0.000 2.143 61 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.248 61 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.248 61 G C 0.992 175.818 174.900 -0.124 0.000 0.991 61 G CA 0.660 45.690 45.100 -0.116 0.000 0.689 61 G HN 0.406 nan 8.290 nan 0.000 0.522 62 K N -0.899 119.370 120.400 -0.219 0.000 2.148 62 K HA 0.123 4.442 4.320 -0.003 0.000 0.204 62 K C 1.064 177.646 176.600 -0.030 0.000 1.050 62 K CA 1.770 57.960 56.287 -0.161 0.000 0.942 62 K CB -0.139 32.237 32.500 -0.206 0.000 0.724 62 K HN 0.922 nan 8.250 nan 0.000 0.446 63 F N -1.537 118.423 119.950 0.017 0.000 2.779 63 F HA 0.539 5.064 4.527 -0.003 0.000 0.316 63 F C -1.199 174.651 175.800 0.084 0.000 1.164 63 F CA -1.617 56.430 58.000 0.078 0.000 0.924 63 F CB 1.070 40.181 39.000 0.186 0.000 1.348 63 F HN -0.440 nan 8.300 nan 0.000 0.467 64 K N 0.319 120.969 120.400 0.417 0.000 2.340 64 K HA 0.343 4.661 4.320 -0.003 0.000 0.244 64 K C 0.293 177.033 176.600 0.233 0.000 0.973 64 K CA -0.865 55.559 56.287 0.229 0.000 0.828 64 K CB 2.238 34.822 32.500 0.140 0.000 1.226 64 K HN 0.679 nan 8.250 nan 0.000 0.437 65 E N 0.207 120.489 120.200 0.137 0.000 2.171 65 E HA -0.196 4.152 4.350 -0.003 0.000 0.197 65 E C 1.127 177.756 176.600 0.050 0.000 0.997 65 E CA 2.021 58.470 56.400 0.083 0.000 0.810 65 E CB -0.083 29.640 29.700 0.039 0.000 0.738 65 E HN 0.732 nan 8.360 nan 0.000 0.467 66 T N -0.983 113.605 114.554 0.057 0.000 3.081 66 T HA -0.003 4.345 4.350 -0.003 0.000 0.255 66 T C 0.526 175.245 174.700 0.031 0.000 1.113 66 T CA -0.216 61.905 62.100 0.036 0.000 1.082 66 T CB 0.042 68.933 68.868 0.037 0.000 0.939 66 T HN -0.160 nan 8.240 nan 0.000 0.506 67 D N 1.842 122.278 120.400 0.060 0.000 2.472 67 D HA 0.197 4.835 4.640 -0.003 0.000 0.237 67 D C -0.038 176.214 176.300 -0.081 0.000 1.141 67 D CA 0.065 54.096 54.000 0.051 0.000 0.875 67 D CB 0.689 41.601 40.800 0.187 0.000 1.192 67 D HN 0.339 nan 8.370 nan 0.000 0.450 68 L N 1.910 123.085 121.223 -0.080 0.000 2.264 68 L HA 0.285 4.623 4.340 -0.003 0.000 0.289 68 L C -0.173 176.522 176.870 -0.292 0.000 1.044 68 L CA -0.884 53.868 54.840 -0.148 0.000 0.807 68 L CB 1.228 43.250 42.059 -0.061 0.000 1.192 68 L HN -0.024 nan 8.230 nan 0.000 0.425 69 V N 2.350 121.992 119.914 -0.453 0.000 2.407 69 V HA 0.256 4.375 4.120 -0.003 0.000 0.278 69 V C 0.426 176.367 176.094 -0.255 0.000 1.037 69 V CA -0.432 61.514 62.300 -0.590 0.000 0.900 69 V CB 1.521 32.853 31.823 -0.818 0.000 0.983 69 V HN 0.721 nan 8.190 nan 0.000 0.459 70 T N 6.417 120.887 114.554 -0.140 0.000 2.771 70 T HA 0.458 4.806 4.350 -0.003 0.000 0.291 70 T C 0.022 174.692 174.700 -0.050 0.000 0.954 70 T CA -0.270 61.792 62.100 -0.063 0.000 1.045 70 T CB 0.519 69.376 68.868 -0.020 0.000 0.917 70 T HN 0.286 nan 8.240 nan 0.000 0.484 71 I N 3.496 124.041 120.570 -0.041 0.000 2.416 71 I HA 0.345 4.513 4.170 -0.003 0.000 0.288 71 I C 1.154 177.268 176.117 -0.005 0.000 1.051 71 I CA -0.319 60.967 61.300 -0.023 0.000 1.375 71 I CB 0.344 38.338 38.000 -0.009 0.000 1.407 71 I HN 0.670 nan 8.210 nan 0.000 0.516 72 G N 4.115 112.929 108.800 0.023 0.000 2.511 72 G HA2 0.185 4.143 3.960 -0.003 0.000 0.316 72 G HA3 0.185 4.143 3.960 -0.003 0.000 0.316 72 G C 0.685 175.636 174.900 0.085 0.000 1.210 72 G CA -0.458 44.665 45.100 0.037 0.000 0.969 72 G HN 0.592 nan 8.290 nan 0.000 0.492 73 N N 0.203 118.960 118.700 0.094 0.000 2.192 73 N HA -0.155 4.584 4.740 -0.003 0.000 0.188 73 N C 1.808 177.485 175.510 0.278 0.000 1.013 73 N CA 1.756 54.928 53.050 0.203 0.000 0.863 73 N CB 0.087 38.678 38.487 0.175 0.000 0.990 73 N HN 0.641 nan 8.380 nan 0.000 0.430 74 D N -0.774 119.738 120.400 0.187 0.000 2.269 74 D HA -0.014 4.625 4.640 -0.003 0.000 0.208 74 D C 0.828 177.290 176.300 0.271 0.000 0.963 74 D CA 0.722 54.829 54.000 0.179 0.000 0.864 74 D CB -0.363 40.504 40.800 0.111 0.000 0.936 74 D HN 0.186 nan 8.370 nan 0.000 0.505 75 A N -0.489 122.485 122.820 0.257 0.000 2.507 75 A HA 0.209 4.527 4.320 -0.003 0.000 0.270 75 A C -0.353 177.398 177.584 0.279 0.000 1.318 75 A CA -0.673 51.508 52.037 0.240 0.000 0.924 75 A CB -0.828 18.226 19.000 0.090 0.000 1.061 75 A HN 0.266 nan 8.150 nan 0.000 0.516 76 W N 0.952 122.343 121.300 0.150 0.000 2.416 76 W HA 0.531 5.189 4.660 -0.003 0.000 0.318 76 W C 0.794 177.411 176.519 0.163 0.000 1.150 76 W CA -1.266 56.144 57.345 0.109 0.000 1.392 76 W CB 0.296 29.813 29.460 0.095 0.000 1.311 76 W HN 0.271 nan 8.180 nan 0.000 0.436 77 A N 3.723 126.632 122.820 0.148 0.000 1.892 77 A HA -0.245 4.074 4.320 -0.003 0.000 0.218 77 A C 1.911 179.419 177.584 -0.127 0.000 1.188 77 A CA 2.658 54.603 52.037 -0.155 0.000 0.631 77 A CB -0.952 17.779 19.000 -0.448 0.000 0.822 77 A HN 0.722 nan 8.150 nan 0.000 0.447 78 T N -4.146 110.231 114.554 -0.295 0.000 3.186 78 T HA 0.412 4.760 4.350 -0.003 0.000 0.257 78 T C 1.044 175.183 174.700 -0.936 0.000 1.029 78 T CA 0.740 62.615 62.100 -0.375 0.000 0.916 78 T CB 0.405 69.243 68.868 -0.050 0.000 1.041 78 T HN 0.389 nan 8.240 nan 0.000 0.562 79 G N 0.992 108.918 108.800 -1.457 0.000 3.159 79 G HA2 0.233 4.191 3.960 -0.003 0.000 0.232 79 G HA3 0.233 4.191 3.960 -0.003 0.000 0.232 79 G C 0.214 174.761 174.900 -0.588 0.000 1.116 79 G CA -0.546 43.560 45.100 -1.657 0.000 0.767 79 G HN 0.477 nan 8.290 nan 0.000 0.547 80 N N 0.692 119.177 118.700 -0.359 0.000 2.648 80 N HA 0.203 4.942 4.740 -0.003 0.000 0.261 80 N C -2.544 172.792 175.510 -0.290 0.000 1.138 80 N CA -0.930 51.943 53.050 -0.296 0.000 0.804 80 N CB 2.631 40.877 38.487 -0.402 0.000 1.237 80 N HN -0.161 nan 8.380 nan 0.000 0.532 81 P HA -0.091 nan 4.420 nan 0.000 0.229 81 P C 1.525 178.716 177.300 -0.183 0.000 1.150 81 P CA 0.372 63.374 63.100 -0.164 0.000 0.765 81 P CB 0.611 32.234 31.700 -0.128 0.000 0.783 82 V N -1.314 118.415 119.914 -0.308 0.000 2.594 82 V HA -0.197 3.921 4.120 -0.003 0.000 0.253 82 V C 1.602 177.519 176.094 -0.295 0.000 1.069 82 V CA 1.595 63.693 62.300 -0.338 0.000 1.082 82 V CB -1.004 30.546 31.823 -0.455 0.000 0.680 82 V HN 0.078 nan 8.190 nan 0.000 0.469 83 F N -0.013 119.834 119.950 -0.172 0.000 2.802 83 F HA 0.117 4.642 4.527 -0.003 0.000 0.300 83 F C 1.368 177.074 175.800 -0.158 0.000 1.168 83 F CA 0.086 57.970 58.000 -0.194 0.000 1.433 83 F CB -0.033 38.835 39.000 -0.220 0.000 1.115 83 F HN 0.003 nan 8.300 nan 0.000 0.582 84 K N 0.987 121.398 120.400 0.018 0.000 2.453 84 K HA 0.112 4.430 4.320 -0.003 0.000 0.280 84 K C 1.176 177.782 176.600 0.011 0.000 1.045 84 K CA 0.968 57.257 56.287 0.003 0.000 1.059 84 K CB 0.071 32.559 32.500 -0.020 0.000 0.901 84 K HN 0.383 nan 8.250 nan 0.000 0.475 85 G N 2.376 111.191 108.800 0.024 0.000 2.199 85 G HA2 -0.314 3.645 3.960 -0.003 0.000 0.254 85 G HA3 -0.314 3.645 3.960 -0.003 0.000 0.254 85 G C 0.011 174.932 174.900 0.035 0.000 0.982 85 G CA 0.443 45.563 45.100 0.033 0.000 0.632 85 G HN 0.852 nan 8.290 nan 0.000 0.529 86 S N -0.427 115.285 115.700 0.019 0.000 2.672 86 S HA 0.737 5.205 4.470 -0.003 0.000 0.276 86 S C 0.428 175.020 174.600 -0.014 0.000 1.207 86 S CA 0.617 58.823 58.200 0.010 0.000 1.002 86 S CB 1.900 65.105 63.200 0.009 0.000 0.998 86 S HN 1.412 nan 8.310 nan 0.000 0.542 87 S N 0.696 116.395 115.700 -0.001 0.000 2.549 87 S HA 0.464 4.932 4.470 -0.003 0.000 0.283 87 S C -0.627 173.914 174.600 -0.098 0.000 1.320 87 S CA -0.457 57.744 58.200 0.001 0.000 1.058 87 S CB -0.978 62.244 63.200 0.037 0.000 0.882 87 S HN 0.587 nan 8.310 nan 0.000 0.498 88 L N 4.822 125.983 121.223 -0.104 0.000 2.466 88 L HA 0.379 4.717 4.340 -0.003 0.000 0.258 88 L C 0.662 177.496 176.870 -0.060 0.000 0.973 88 L CA -0.607 54.066 54.840 -0.279 0.000 0.826 88 L CB 1.903 43.544 42.059 -0.696 0.000 1.372 88 L HN 0.678 nan 8.230 nan 0.000 0.409 89 M N 1.190 120.736 119.600 -0.090 0.000 2.506 89 M HA 0.165 4.643 4.480 -0.003 0.000 0.260 89 M C -0.381 176.130 176.300 0.351 0.000 1.104 89 M CA 0.698 56.052 55.300 0.090 0.000 1.112 89 M CB 0.252 32.754 32.600 -0.164 0.000 1.401 89 M HN 0.522 nan 8.290 nan 0.000 0.473 90 F N 0.349 120.327 119.950 0.046 0.000 2.975 90 F HA -0.191 4.335 4.527 -0.003 0.000 0.319 90 F C -0.348 175.563 175.800 0.186 0.000 0.976 90 F CA -0.185 57.880 58.000 0.109 0.000 1.072 90 F CB -2.023 37.048 39.000 0.119 0.000 1.165 90 F HN 0.025 nan 8.300 nan 0.000 0.758 91 L N 0.802 122.132 121.223 0.180 0.000 2.426 91 L HA 0.324 4.663 4.340 -0.003 0.000 0.271 91 L C 0.587 177.613 176.870 0.260 0.000 1.169 91 L CA 0.129 55.082 54.840 0.188 0.000 0.836 91 L CB 0.901 42.983 42.059 0.038 0.000 1.112 91 L HN 0.168 nan 8.230 nan 0.000 0.465 92 K N 2.756 123.268 120.400 0.187 0.000 2.328 92 K HA 0.480 4.799 4.320 -0.003 0.000 0.246 92 K C -2.488 174.064 176.600 -0.080 0.000 0.955 92 K CA -1.842 54.471 56.287 0.043 0.000 0.817 92 K CB 1.764 34.267 32.500 0.005 0.000 1.208 92 K HN 0.219 nan 8.250 nan 0.000 0.432 93 P HA -0.051 nan 4.420 nan 0.000 0.268 93 P C 0.507 177.728 177.300 -0.131 0.000 1.208 93 P CA 0.779 63.770 63.100 -0.182 0.000 0.777 93 P CB 0.452 31.973 31.700 -0.298 0.000 0.875 94 G N 0.638 109.391 108.800 -0.079 0.000 2.189 94 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.267 94 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.267 94 G C 0.319 175.196 174.900 -0.038 0.000 0.975 94 G CA 0.013 45.078 45.100 -0.058 0.000 0.644 94 G HN 0.447 nan 8.290 nan 0.000 0.537 95 M N 0.170 119.755 119.600 -0.024 0.000 2.245 95 M HA 0.277 4.755 4.480 -0.003 0.000 0.330 95 M C 0.615 176.913 176.300 -0.002 0.000 1.098 95 M CA 0.863 56.169 55.300 0.010 0.000 1.172 95 M CB 0.545 33.183 32.600 0.065 0.000 1.467 95 M HN 0.247 nan 8.290 nan 0.000 0.454 96 Q N 2.378 122.182 119.800 0.007 0.000 2.464 96 Q HA 0.436 4.774 4.340 -0.003 0.000 0.256 96 Q C -1.465 174.533 176.000 -0.003 0.000 1.020 96 Q CA -0.515 55.276 55.803 -0.020 0.000 0.716 96 Q CB 1.668 30.394 28.738 -0.021 0.000 1.230 96 Q HN 0.451 nan 8.270 nan 0.000 0.494 97 V N 2.935 122.826 119.914 -0.038 0.000 2.435 97 V HA 0.406 4.524 4.120 -0.003 0.000 0.290 97 V C -2.202 173.833 176.094 -0.098 0.000 1.030 97 V CA -2.437 59.857 62.300 -0.011 0.000 0.881 97 V CB 1.250 33.054 31.823 -0.032 0.000 0.983 97 V HN 0.550 nan 8.190 nan 0.000 0.445 98 P HA 0.063 nan 4.420 nan 0.000 0.267 98 P C 1.094 178.312 177.300 -0.136 0.000 1.200 98 P CA 0.110 63.168 63.100 -0.071 0.000 0.772 98 P CB 0.655 32.354 31.700 -0.002 0.000 0.855 99 V N 2.235 122.047 119.914 -0.169 0.000 2.332 99 V HA -0.290 3.828 4.120 -0.003 0.000 0.248 99 V C 2.390 178.420 176.094 -0.107 0.000 1.055 99 V CA 2.770 64.963 62.300 -0.178 0.000 1.038 99 V CB -1.489 30.291 31.823 -0.073 0.000 0.651 99 V HN 0.751 nan 8.190 nan 0.000 0.450 100 S N -0.081 115.585 115.700 -0.057 0.000 2.374 100 S HA -0.347 4.121 4.470 -0.003 0.000 0.227 100 S C 1.890 176.422 174.600 -0.114 0.000 1.037 100 S CA 1.939 60.102 58.200 -0.061 0.000 1.024 100 S CB -0.560 62.630 63.200 -0.016 0.000 0.861 100 S HN 0.718 nan 8.310 nan 0.000 0.456 101 Q N 0.678 120.443 119.800 -0.059 0.000 2.123 101 Q HA 0.123 4.462 4.340 -0.003 0.000 0.199 101 Q C 2.401 178.267 176.000 -0.223 0.000 0.966 101 Q CA 1.214 57.005 55.803 -0.021 0.000 0.845 101 Q CB -0.349 28.492 28.738 0.172 0.000 0.907 101 Q HN 0.578 nan 8.270 nan 0.000 0.439 102 L N 0.655 121.737 121.223 -0.236 0.000 2.109 102 L HA -0.100 4.239 4.340 -0.003 0.000 0.207 102 L C 2.378 179.083 176.870 -0.275 0.000 1.086 102 L CA 0.728 55.401 54.840 -0.279 0.000 0.760 102 L CB -0.385 41.515 42.059 -0.266 0.000 0.910 102 L HN 0.297 nan 8.230 nan 0.000 0.437 103 I N -3.447 116.976 120.570 -0.246 0.000 3.251 103 I HA -0.090 4.078 4.170 -0.003 0.000 0.277 103 I C 2.421 178.331 176.117 -0.345 0.000 1.268 103 I CA 0.788 61.954 61.300 -0.224 0.000 1.449 103 I CB -0.196 37.727 38.000 -0.130 0.000 1.083 103 I HN 0.074 nan 8.210 nan 0.000 0.464 104 R N 1.418 121.609 120.500 -0.515 0.000 2.090 104 R HA 0.152 4.490 4.340 -0.003 0.000 0.219 104 R C 2.485 178.312 176.300 -0.788 0.000 1.100 104 R CA 1.095 56.727 56.100 -0.781 0.000 0.991 104 R CB -0.485 29.088 30.300 -1.211 0.000 0.893 104 R HN 0.504 nan 8.270 nan 0.000 0.443 105 G N 1.332 109.714 108.800 -0.697 0.000 2.513 105 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.219 105 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.219 105 G C 1.386 176.183 174.900 -0.173 0.000 1.160 105 G CA 1.029 45.974 45.100 -0.260 0.000 0.767 105 G HN 0.179 nan 8.290 nan 0.000 0.571 106 I N 0.744 121.194 120.570 -0.200 0.000 2.142 106 I HA -0.155 4.013 4.170 -0.003 0.000 0.240 106 I C 2.602 178.664 176.117 -0.091 0.000 1.078 106 I CA 1.130 62.357 61.300 -0.120 0.000 1.343 106 I CB -0.227 37.706 38.000 -0.112 0.000 1.046 106 I HN 0.088 nan 8.210 nan 0.000 0.405 107 N N 0.607 119.189 118.700 -0.197 0.000 2.132 107 N HA -0.069 4.669 4.740 -0.003 0.000 0.187 107 N C 1.741 177.190 175.510 -0.101 0.000 1.038 107 N CA 1.161 54.064 53.050 -0.245 0.000 0.846 107 N CB -0.568 37.508 38.487 -0.684 0.000 1.012 107 N HN 0.071 nan 8.380 nan 0.000 0.429 108 L N 0.900 122.031 121.223 -0.155 0.000 2.056 108 L HA -0.035 4.304 4.340 -0.003 0.000 0.207 108 L C 2.170 179.089 176.870 0.082 0.000 1.078 108 L CA 1.599 56.432 54.840 -0.011 0.000 0.749 108 L CB -0.500 41.550 42.059 -0.016 0.000 0.901 108 L HN 0.297 nan 8.230 nan 0.000 0.433 109 Q N -1.600 118.237 119.800 0.062 0.000 2.317 109 Q HA 0.059 4.397 4.340 -0.003 0.000 0.220 109 Q C 0.424 176.469 176.000 0.075 0.000 0.873 109 Q CA 0.452 56.322 55.803 0.112 0.000 0.936 109 Q CB 0.703 29.547 28.738 0.176 0.000 1.105 109 Q HN 0.343 nan 8.270 nan 0.000 0.520 110 S N 0.031 115.757 115.700 0.044 0.000 3.587 110 S HA -0.179 4.289 4.470 -0.003 0.000 0.337 110 S C 0.301 174.903 174.600 0.003 0.000 1.119 110 S CA 0.386 58.609 58.200 0.039 0.000 0.976 110 S CB -1.693 61.552 63.200 0.075 0.000 0.922 110 S HN 0.682 nan 8.310 nan 0.000 0.503 111 G N 1.207 109.989 108.800 -0.031 0.000 2.298 111 G HA2 0.198 4.157 3.960 -0.003 0.000 0.263 111 G HA3 0.198 4.157 3.960 -0.003 0.000 0.263 111 G C 0.790 175.608 174.900 -0.136 0.000 1.229 111 G CA -0.327 44.717 45.100 -0.094 0.000 0.976 111 G HN 0.512 nan 8.290 nan 0.000 0.459 112 N N 2.173 120.762 118.700 -0.184 0.000 2.300 112 N HA -0.115 4.624 4.740 -0.003 0.000 0.179 112 N C 1.730 177.083 175.510 -0.261 0.000 1.016 112 N CA 1.271 54.250 53.050 -0.119 0.000 0.876 112 N CB 0.154 38.602 38.487 -0.065 0.000 0.979 112 N HN 0.735 nan 8.380 nan 0.000 0.432 113 D N 1.438 121.443 120.400 -0.658 0.000 2.144 113 D HA -0.094 4.544 4.640 -0.003 0.000 0.199 113 D C 1.642 177.783 176.300 -0.265 0.000 0.984 113 D CA 0.883 54.494 54.000 -0.648 0.000 0.834 113 D CB -0.535 39.830 40.800 -0.726 0.000 0.955 113 D HN 0.116 nan 8.370 nan 0.000 0.465 114 A N 0.063 122.737 122.820 -0.243 0.000 2.121 114 A HA -0.060 4.258 4.320 -0.003 0.000 0.218 114 A C 2.396 179.878 177.584 -0.171 0.000 1.154 114 A CA 0.947 52.861 52.037 -0.204 0.000 0.679 114 A CB -0.910 17.959 19.000 -0.218 0.000 0.795 114 A HN 0.436 nan 8.150 nan 0.000 0.458 115 C N -1.613 117.604 119.300 -0.137 0.000 2.475 115 C HA -0.004 4.454 4.460 -0.003 0.000 0.279 115 C C 2.678 177.535 174.990 -0.221 0.000 1.322 115 C CA 0.978 59.898 59.018 -0.164 0.000 1.734 115 C CB -0.902 26.792 27.740 -0.077 0.000 2.005 115 C HN 0.478 nan 8.230 nan 0.000 0.495 116 V N 1.290 121.150 119.914 -0.089 0.000 2.453 116 V HA -0.110 4.008 4.120 -0.003 0.000 0.247 116 V C 2.661 178.707 176.094 -0.079 0.000 1.048 116 V CA 1.973 64.237 62.300 -0.059 0.000 1.049 116 V CB -1.209 30.689 31.823 0.125 0.000 0.672 116 V HN 0.559 nan 8.190 nan 0.000 0.457 117 A N -0.402 122.367 122.820 -0.085 0.000 1.933 117 A HA -0.170 4.148 4.320 -0.003 0.000 0.218 117 A C 2.213 179.738 177.584 -0.099 0.000 1.175 117 A CA 1.810 53.793 52.037 -0.089 0.000 0.628 117 A CB -0.376 18.546 19.000 -0.130 0.000 0.814 117 A HN 0.392 nan 8.150 nan 0.000 0.444 118 M N -0.808 118.705 119.600 -0.146 0.000 2.334 118 M HA 0.080 4.558 4.480 -0.003 0.000 0.266 118 M C 2.482 178.736 176.300 -0.076 0.000 1.082 118 M CA 1.216 56.452 55.300 -0.107 0.000 1.141 118 M CB -1.391 31.134 32.600 -0.125 0.000 1.380 118 M HN 0.467 nan 8.290 nan 0.000 0.440 119 A N 0.742 123.367 122.820 -0.326 0.000 1.877 119 A HA -0.177 4.141 4.320 -0.003 0.000 0.216 119 A C 1.794 179.386 177.584 0.013 0.000 1.186 119 A CA 1.945 53.741 52.037 -0.401 0.000 0.620 119 A CB -0.689 17.895 19.000 -0.693 0.000 0.822 119 A HN 0.400 nan 8.150 nan 0.000 0.443 120 D N -1.533 118.870 120.400 0.004 0.000 2.269 120 D HA -0.055 4.584 4.640 -0.003 0.000 0.208 120 D C 1.484 177.844 176.300 0.100 0.000 0.963 120 D CA 0.764 54.800 54.000 0.060 0.000 0.864 120 D CB -0.285 40.546 40.800 0.050 0.000 0.936 120 D HN 0.473 nan 8.370 nan 0.000 0.505 121 F N 1.556 121.464 119.950 -0.069 0.000 2.149 121 F HA 0.082 4.607 4.527 -0.003 0.000 0.294 121 F C 2.195 177.963 175.800 -0.053 0.000 1.095 121 F CA 1.139 59.065 58.000 -0.123 0.000 1.276 121 F CB -0.170 38.665 39.000 -0.274 0.000 1.023 121 F HN -0.074 nan 8.300 nan 0.000 0.480 122 A N -0.559 122.295 122.820 0.056 0.000 1.975 122 A HA 0.342 4.660 4.320 -0.003 0.000 0.215 122 A C 1.946 179.641 177.584 0.186 0.000 1.170 122 A CA 1.245 53.427 52.037 0.242 0.000 0.656 122 A CB -0.974 18.362 19.000 0.560 0.000 0.821 122 A HN 0.424 nan 8.150 nan 0.000 0.449 123 A N -3.078 119.867 122.820 0.208 0.000 2.508 123 A HA 0.481 4.800 4.320 -0.003 0.000 0.250 123 A C 1.670 179.317 177.584 0.104 0.000 1.208 123 A CA 0.940 53.080 52.037 0.171 0.000 0.960 123 A CB -0.163 19.001 19.000 0.273 0.000 1.099 123 A HN 1.767 nan 8.150 nan 0.000 0.542 124 G N -0.114 108.731 108.800 0.075 0.000 2.363 124 G HA2 -0.209 3.750 3.960 -0.003 0.000 0.238 124 G HA3 -0.209 3.750 3.960 -0.003 0.000 0.238 124 G C 0.512 175.445 174.900 0.056 0.000 1.062 124 G CA 0.868 45.997 45.100 0.047 0.000 0.629 124 G HN 2.076 nan 8.290 nan 0.000 0.514 125 S N -1.300 114.445 115.700 0.075 0.000 2.607 125 S HA 0.666 5.134 4.470 -0.003 0.000 0.273 125 S C 0.469 175.121 174.600 0.087 0.000 1.148 125 S CA 0.368 58.607 58.200 0.065 0.000 0.833 125 S CB 1.736 64.967 63.200 0.053 0.000 1.130 125 S HN 0.254 nan 8.310 nan 0.000 0.470 126 Q N 0.475 120.302 119.800 0.045 0.000 2.061 126 Q HA -0.145 4.193 4.340 -0.003 0.000 0.204 126 Q C 0.873 176.926 176.000 0.087 0.000 0.984 126 Q CA 2.125 57.945 55.803 0.028 0.000 0.846 126 Q CB -0.298 28.420 28.738 -0.034 0.000 0.902 126 Q HN 0.725 nan 8.270 nan 0.000 0.421 127 D N 0.177 120.616 120.400 0.066 0.000 2.123 127 D HA -0.158 4.481 4.640 -0.003 0.000 0.196 127 D C 1.751 178.104 176.300 0.088 0.000 0.992 127 D CA 1.475 55.516 54.000 0.068 0.000 0.833 127 D CB -0.236 40.594 40.800 0.050 0.000 0.954 127 D HN 0.297 nan 8.370 nan 0.000 0.455 128 A N -0.081 122.796 122.820 0.095 0.000 1.898 128 A HA -0.146 4.172 4.320 -0.003 0.000 0.216 128 A C 2.170 179.826 177.584 0.120 0.000 1.181 128 A CA 0.988 53.077 52.037 0.088 0.000 0.620 128 A CB -1.021 18.027 19.000 0.080 0.000 0.819 128 A HN 0.304 nan 8.150 nan 0.000 0.442 129 F N 0.628 120.588 119.950 0.017 0.000 2.134 129 F HA -0.160 4.366 4.527 -0.003 0.000 0.299 129 F C 2.175 177.987 175.800 0.021 0.000 1.097 129 F CA 1.899 59.914 58.000 0.025 0.000 1.264 129 F CB -0.054 38.954 39.000 0.013 0.000 1.001 129 F HN 0.037 nan 8.300 nan 0.000 0.479 130 V N 0.555 120.633 119.914 0.272 0.000 2.407 130 V HA -0.257 3.862 4.120 -0.003 0.000 0.248 130 V C 2.776 178.907 176.094 0.062 0.000 1.055 130 V CA 1.782 64.173 62.300 0.152 0.000 1.049 130 V CB -1.705 30.185 31.823 0.111 0.000 0.662 130 V HN 0.577 nan 8.190 nan 0.000 0.455 131 G N 0.286 109.114 108.800 0.046 0.000 2.529 131 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.219 131 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.219 131 G C 1.564 176.447 174.900 -0.027 0.000 1.177 131 G CA 1.390 46.499 45.100 0.014 0.000 0.773 131 G HN 0.478 nan 8.290 nan 0.000 0.573 132 L N -0.363 120.813 121.223 -0.078 0.000 2.046 132 L HA -0.092 4.247 4.340 -0.003 0.000 0.208 132 L C 3.146 180.015 176.870 -0.001 0.000 1.077 132 L CA 1.226 55.995 54.840 -0.119 0.000 0.747 132 L CB -0.401 41.536 42.059 -0.204 0.000 0.896 132 L HN 0.253 nan 8.230 nan 0.000 0.432 133 M N -0.312 119.265 119.600 -0.039 0.000 2.082 133 M HA -0.234 4.245 4.480 -0.003 0.000 0.258 133 M C 1.987 178.429 176.300 0.236 0.000 1.069 133 M CA 1.783 57.139 55.300 0.092 0.000 1.102 133 M CB -0.526 32.075 32.600 0.001 0.000 1.336 133 M HN 0.288 nan 8.290 nan 0.000 0.404 134 N N -0.164 118.632 118.700 0.161 0.000 2.309 134 N HA -0.058 4.680 4.740 -0.003 0.000 0.182 134 N C 1.733 177.284 175.510 0.068 0.000 1.018 134 N CA 1.123 54.248 53.050 0.125 0.000 0.876 134 N CB -0.271 38.259 38.487 0.072 0.000 0.972 134 N HN 0.262 nan 8.380 nan 0.000 0.434 135 S N 0.251 115.948 115.700 -0.005 0.000 2.368 135 S HA -0.071 4.397 4.470 -0.003 0.000 0.225 135 S C 1.662 176.192 174.600 -0.118 0.000 1.030 135 S CA 0.844 58.972 58.200 -0.119 0.000 0.999 135 S CB -0.301 62.735 63.200 -0.273 0.000 0.844 135 S HN 0.439 nan 8.310 nan 0.000 0.459 136 Y N 0.664 121.001 120.300 0.061 0.000 2.395 136 Y HA 0.000 4.549 4.550 -0.003 0.000 0.293 136 Y C 2.335 178.271 175.900 0.060 0.000 1.123 136 Y CA 0.193 58.350 58.100 0.094 0.000 1.227 136 Y CB -0.199 38.373 38.460 0.187 0.000 1.012 136 Y HN 0.046 nan 8.280 nan 0.000 0.552 137 V N 0.429 120.470 119.914 0.212 0.000 2.343 137 V HA -0.301 3.817 4.120 -0.003 0.000 0.247 137 V C 1.824 177.959 176.094 0.069 0.000 1.051 137 V CA 1.865 64.239 62.300 0.124 0.000 1.036 137 V CB -0.459 31.418 31.823 0.090 0.000 0.654 137 V HN 0.491 nan 8.190 nan 0.000 0.451 138 N N 0.640 119.372 118.700 0.053 0.000 2.142 138 N HA -0.097 4.641 4.740 -0.003 0.000 0.186 138 N C 1.858 177.384 175.510 0.027 0.000 1.023 138 N CA 1.694 54.760 53.050 0.026 0.000 0.852 138 N CB -0.457 38.033 38.487 0.006 0.000 0.998 138 N HN 0.486 nan 8.380 nan 0.000 0.424 139 A N 0.730 123.574 122.820 0.039 0.000 2.014 139 A HA 0.043 4.361 4.320 -0.003 0.000 0.218 139 A C 2.142 179.767 177.584 0.069 0.000 1.163 139 A CA 0.689 52.757 52.037 0.052 0.000 0.652 139 A CB -0.444 18.596 19.000 0.066 0.000 0.808 139 A HN 0.215 nan 8.150 nan 0.000 0.449 140 L N -1.223 120.044 121.223 0.073 0.000 2.554 140 L HA 0.199 4.538 4.340 -0.003 0.000 0.226 140 L C 1.572 178.451 176.870 0.014 0.000 1.137 140 L CA 0.513 55.373 54.840 0.033 0.000 0.863 140 L CB -0.228 41.828 42.059 -0.005 0.000 0.985 140 L HN 0.535 nan 8.230 nan 0.000 0.451 141 G N 0.910 109.722 108.800 0.020 0.000 2.160 141 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.244 141 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.244 141 G C 0.099 175.003 174.900 0.007 0.000 1.022 141 G CA -0.265 44.841 45.100 0.010 0.000 0.741 141 G HN 0.239 nan 8.290 nan 0.000 0.508 142 L N -0.609 120.620 121.223 0.010 0.000 2.367 142 L HA 0.379 4.718 4.340 -0.003 0.000 0.275 142 L C 1.539 178.419 176.870 0.015 0.000 1.129 142 L CA -0.224 54.620 54.840 0.007 0.000 0.839 142 L CB 0.817 42.878 42.059 0.003 0.000 1.133 142 L HN 0.070 nan 8.230 nan 0.000 0.453 143 K N 1.757 122.168 120.400 0.017 0.000 2.367 143 K HA 0.170 4.488 4.320 -0.003 0.000 0.194 143 K C 0.044 176.676 176.600 0.053 0.000 1.027 143 K CA 0.176 56.478 56.287 0.025 0.000 1.075 143 K CB 0.373 32.877 32.500 0.007 0.000 0.845 143 K HN 0.559 nan 8.250 nan 0.000 0.529 144 N N 1.070 119.815 118.700 0.076 0.000 2.628 144 N HA 0.090 4.828 4.740 -0.003 0.000 0.299 144 N C -1.272 174.393 175.510 0.258 0.000 1.834 144 N CA 0.048 53.186 53.050 0.148 0.000 0.871 144 N CB 1.822 40.334 38.487 0.043 0.000 1.377 144 N HN -0.131 nan 8.380 nan 0.000 0.493 145 T N 0.010 114.648 114.554 0.139 0.000 2.971 145 T HA 0.294 4.642 4.350 -0.003 0.000 0.304 145 T C -1.517 172.885 174.700 -0.496 0.000 1.038 145 T CA -0.356 61.622 62.100 -0.204 0.000 1.007 145 T CB 2.203 70.927 68.868 -0.239 0.000 1.055 145 T HN 0.296 nan 8.240 nan 0.000 0.451 146 H N 1.595 119.982 119.070 -1.138 0.000 2.947 146 H HA 0.612 5.166 4.556 -0.002 0.000 0.354 146 H C -1.844 172.962 175.328 -0.870 0.000 1.085 146 H CA -0.694 54.784 56.048 -0.949 0.000 1.253 146 H CB 0.746 29.938 29.762 -0.950 0.000 1.757 146 H HN 0.513 nan 8.280 nan 0.000 0.523 147 F N 2.979 122.452 119.950 -0.795 0.000 2.470 147 F HA 0.350 4.876 4.527 -0.002 0.000 0.329 147 F C 1.211 176.695 175.800 -0.526 0.000 1.072 147 F CA -0.237 57.482 58.000 -0.470 0.000 0.989 147 F CB 2.158 41.026 39.000 -0.221 0.000 1.193 147 F HN 0.606 nan 8.300 nan 0.000 0.481 148 Q N -0.211 119.585 119.800 -0.006 0.000 2.313 148 Q HA 0.128 4.467 4.340 -0.003 0.000 0.263 148 Q C -0.048 175.979 176.000 0.045 0.000 0.820 148 Q CA 0.211 56.023 55.803 0.013 0.000 0.974 148 Q CB 1.628 30.405 28.738 0.065 0.000 1.156 148 Q HN 0.810 nan 8.270 nan 0.000 0.517 149 T N -2.884 111.702 114.554 0.055 0.000 2.901 149 T HA 0.328 4.676 4.350 -0.003 0.000 0.293 149 T C 0.935 175.554 174.700 -0.135 0.000 1.084 149 T CA -0.365 61.707 62.100 -0.046 0.000 1.008 149 T CB 1.637 70.510 68.868 0.009 0.000 1.170 149 T HN -0.065 nan 8.240 nan 0.000 0.509 150 V N -0.123 119.566 119.914 -0.376 0.000 2.970 150 V HA 0.047 4.166 4.120 -0.003 0.000 0.260 150 V C 1.651 177.592 176.094 -0.255 0.000 1.100 150 V CA 1.843 63.948 62.300 -0.325 0.000 1.122 150 V CB -1.749 29.787 31.823 -0.478 0.000 0.721 150 V HN 1.056 nan 8.190 nan 0.000 0.483 151 H N -0.545 118.520 119.070 -0.008 0.000 2.788 151 H HA 0.595 5.150 4.556 -0.003 0.000 0.262 151 H C 1.736 177.086 175.328 0.037 0.000 0.968 151 H CA -0.080 55.975 56.048 0.012 0.000 1.218 151 H CB 0.041 29.840 29.762 0.061 0.000 1.443 151 H HN 0.546 nan 8.280 nan 0.000 0.478 152 G N 0.436 109.447 108.800 0.351 0.000 2.176 152 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.232 152 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.232 152 G C -0.087 174.943 174.900 0.217 0.000 0.986 152 G CA 0.139 45.387 45.100 0.247 0.000 0.643 152 G HN 0.333 nan 8.290 nan 0.000 0.522 153 L N -0.068 121.317 121.223 0.269 0.000 2.439 153 L HA 0.615 4.953 4.340 -0.003 0.000 0.259 153 L C 1.111 178.048 176.870 0.113 0.000 1.129 153 L CA 0.007 54.863 54.840 0.027 0.000 0.803 153 L CB 0.705 42.581 42.059 -0.305 0.000 1.161 153 L HN 0.130 nan 8.230 nan 0.000 0.462 154 D N 1.164 121.584 120.400 0.034 0.000 2.689 154 D HA -0.185 4.453 4.640 -0.003 0.000 0.237 154 D C -0.480 175.869 176.300 0.083 0.000 1.148 154 D CA 1.066 55.093 54.000 0.045 0.000 0.656 154 D CB -0.312 40.508 40.800 0.032 0.000 1.050 154 D HN 0.709 nan 8.370 nan 0.000 0.426 155 A N 0.754 123.626 122.820 0.086 0.000 2.943 155 A HA 0.390 4.708 4.320 -0.003 0.000 0.327 155 A C 0.850 178.486 177.584 0.087 0.000 1.141 155 A CA -0.582 51.512 52.037 0.096 0.000 0.773 155 A CB 0.838 19.911 19.000 0.121 0.000 1.143 155 A HN 0.037 nan 8.150 nan 0.000 0.463 156 D N 1.508 121.953 120.400 0.074 0.000 2.263 156 D HA -0.054 4.584 4.640 -0.003 0.000 0.208 156 D C 1.521 177.880 176.300 0.099 0.000 0.971 156 D CA 2.065 56.107 54.000 0.070 0.000 0.867 156 D CB 0.312 41.143 40.800 0.052 0.000 0.929 156 D HN 0.624 nan 8.370 nan 0.000 0.492 157 G N 0.227 109.100 108.800 0.122 0.000 3.863 157 G HA2 0.098 4.056 3.960 -0.003 0.000 0.290 157 G HA3 0.098 4.056 3.960 -0.003 0.000 0.290 157 G C 0.132 175.152 174.900 0.201 0.000 1.018 157 G CA -0.432 44.774 45.100 0.175 0.000 0.824 157 G HN 0.227 nan 8.290 nan 0.000 0.507 158 Q N 0.250 120.125 119.800 0.125 0.000 2.260 158 Q HA 0.663 5.001 4.340 -0.003 0.000 0.242 158 Q C -0.810 175.217 176.000 0.045 0.000 0.932 158 Q CA -0.800 54.995 55.803 -0.014 0.000 0.891 158 Q CB 1.114 29.885 28.738 0.055 0.000 1.222 158 Q HN 0.433 nan 8.270 nan 0.000 0.453 159 Y N -2.072 118.196 120.300 -0.054 0.000 2.677 159 Y HA 0.786 5.334 4.550 -0.003 0.000 0.334 159 Y C -1.006 174.806 175.900 -0.146 0.000 1.196 159 Y CA -0.981 57.083 58.100 -0.060 0.000 1.059 159 Y CB 1.344 39.784 38.460 -0.034 0.000 1.315 159 Y HN 0.836 nan 8.280 nan 0.000 0.455 160 S N 0.142 115.935 115.700 0.154 0.000 2.724 160 S HA 0.839 5.308 4.470 -0.003 0.000 0.278 160 S C -1.603 173.052 174.600 0.092 0.000 1.190 160 S CA -0.167 58.081 58.200 0.081 0.000 0.860 160 S CB 1.156 64.363 63.200 0.012 0.000 1.206 160 S HN 1.530 nan 8.310 nan 0.000 0.507 161 S N 0.205 115.939 115.700 0.057 0.000 2.651 161 S HA 0.791 5.259 4.470 -0.003 0.000 0.279 161 S C 0.939 175.555 174.600 0.028 0.000 1.148 161 S CA -0.110 58.110 58.200 0.034 0.000 0.837 161 S CB 0.923 64.132 63.200 0.014 0.000 1.138 161 S HN 1.384 nan 8.310 nan 0.000 0.478 162 A N 1.279 124.108 122.820 0.016 0.000 1.917 162 A HA -0.121 4.197 4.320 -0.003 0.000 0.219 162 A C 2.188 179.779 177.584 0.010 0.000 1.182 162 A CA 1.879 53.928 52.037 0.020 0.000 0.633 162 A CB -0.912 18.092 19.000 0.007 0.000 0.819 162 A HN 0.876 nan 8.150 nan 0.000 0.448 163 R N -0.485 120.010 120.500 -0.008 0.000 2.062 163 R HA -0.160 4.178 4.340 -0.003 0.000 0.231 163 R C 1.581 177.877 176.300 -0.006 0.000 1.136 163 R CA 1.910 58.002 56.100 -0.014 0.000 0.948 163 R CB -0.424 29.861 30.300 -0.026 0.000 0.845 163 R HN 0.445 nan 8.270 nan 0.000 0.430 164 D N 0.187 120.587 120.400 0.001 0.000 2.117 164 D HA -0.178 4.460 4.640 -0.003 0.000 0.197 164 D C 1.889 178.197 176.300 0.013 0.000 0.987 164 D CA 1.151 55.154 54.000 0.005 0.000 0.829 164 D CB -0.089 40.717 40.800 0.010 0.000 0.961 164 D HN 0.198 nan 8.370 nan 0.000 0.460 165 M N 0.362 119.980 119.600 0.030 0.000 2.229 165 M HA -0.005 4.474 4.480 -0.003 0.000 0.264 165 M C 2.188 178.496 176.300 0.013 0.000 1.063 165 M CA 0.739 56.063 55.300 0.040 0.000 1.114 165 M CB -0.968 31.667 32.600 0.059 0.000 1.387 165 M HN 0.012 nan 8.290 nan 0.000 0.420 166 A N 0.090 122.914 122.820 0.007 0.000 1.898 166 A HA -0.107 4.212 4.320 -0.003 0.000 0.216 166 A C 2.238 179.809 177.584 -0.020 0.000 1.181 166 A CA 1.181 53.215 52.037 -0.004 0.000 0.620 166 A CB -0.811 18.190 19.000 0.001 0.000 0.819 166 A HN 0.480 nan 8.150 nan 0.000 0.442 167 L N -0.524 120.683 121.223 -0.027 0.000 2.217 167 L HA -0.080 4.259 4.340 -0.003 0.000 0.211 167 L C 2.287 179.110 176.870 -0.078 0.000 1.107 167 L CA 0.643 55.456 54.840 -0.045 0.000 0.783 167 L CB -0.408 41.626 42.059 -0.042 0.000 0.919 167 L HN 0.374 nan 8.230 nan 0.000 0.442 168 I N -0.174 120.351 120.570 -0.076 0.000 2.315 168 I HA -0.164 4.005 4.170 -0.003 0.000 0.248 168 I C 2.558 178.598 176.117 -0.129 0.000 1.117 168 I CA 1.341 62.560 61.300 -0.134 0.000 1.404 168 I CB -0.714 37.253 38.000 -0.056 0.000 1.071 168 I HN 0.267 nan 8.210 nan 0.000 0.419 169 G N -0.106 108.645 108.800 -0.080 0.000 2.403 169 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.216 169 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.216 169 G C 1.556 176.393 174.900 -0.105 0.000 1.154 169 G CA 0.337 45.379 45.100 -0.097 0.000 0.784 169 G HN 0.372 nan 8.290 nan 0.000 0.538 170 Q N 0.128 119.909 119.800 -0.032 0.000 2.084 170 Q HA -0.041 4.297 4.340 -0.003 0.000 0.202 170 Q C 2.772 178.813 176.000 0.068 0.000 0.978 170 Q CA 1.567 57.420 55.803 0.084 0.000 0.844 170 Q CB -0.273 28.487 28.738 0.038 0.000 0.898 170 Q HN 0.406 nan 8.270 nan 0.000 0.426 171 A N 0.763 123.564 122.820 -0.033 0.000 1.873 171 A HA -0.147 4.171 4.320 -0.003 0.000 0.215 171 A C 2.067 179.743 177.584 0.153 0.000 1.186 171 A CA 1.044 53.071 52.037 -0.017 0.000 0.616 171 A CB -0.809 18.016 19.000 -0.291 0.000 0.823 171 A HN 0.448 nan 8.150 nan 0.000 0.442 172 L N -0.356 120.929 121.223 0.103 0.000 1.991 172 L HA -0.297 4.041 4.340 -0.003 0.000 0.221 172 L C 2.586 179.510 176.870 0.091 0.000 1.079 172 L CA 2.060 57.036 54.840 0.227 0.000 0.778 172 L CB -0.601 41.547 42.059 0.149 0.000 0.893 172 L HN 0.442 nan 8.230 nan 0.000 0.437 173 I N -1.022 119.434 120.570 -0.190 0.000 2.127 173 I HA -0.347 3.821 4.170 -0.003 0.000 0.241 173 I C 2.833 178.928 176.117 -0.037 0.000 1.075 173 I CA 1.536 62.593 61.300 -0.405 0.000 1.334 173 I CB -0.473 37.038 38.000 -0.814 0.000 1.040 173 I HN 0.296 nan 8.210 nan 0.000 0.405 174 R N 0.702 121.290 120.500 0.145 0.000 2.073 174 R HA -0.146 4.192 4.340 -0.003 0.000 0.229 174 R C 1.511 177.884 176.300 0.123 0.000 1.120 174 R CA 1.827 58.043 56.100 0.194 0.000 0.967 174 R CB 0.010 30.404 30.300 0.156 0.000 0.862 174 R HN 0.339 nan 8.270 nan 0.000 0.436 175 D N -0.279 120.204 120.400 0.139 0.000 2.324 175 D HA -0.006 4.632 4.640 -0.003 0.000 0.212 175 D C 0.610 176.930 176.300 0.034 0.000 0.984 175 D CA 0.774 54.837 54.000 0.105 0.000 0.885 175 D CB 0.795 41.704 40.800 0.181 0.000 0.996 175 D HN 0.213 nan 8.370 nan 0.000 0.505 176 V N -1.047 118.901 119.914 0.056 0.000 2.454 176 V HA 0.340 4.458 4.120 -0.003 0.000 0.255 176 V C -2.393 173.757 176.094 0.093 0.000 1.009 176 V CA -1.382 60.925 62.300 0.012 0.000 1.149 176 V CB 1.365 33.132 31.823 -0.094 0.000 1.418 176 V HN -0.237 nan 8.190 nan 0.000 0.567 177 P HA -0.023 nan 4.420 nan 0.000 0.220 177 P C 1.213 178.591 177.300 0.129 0.000 1.148 177 P CA 1.224 64.405 63.100 0.135 0.000 0.803 177 P CB 0.162 31.914 31.700 0.087 0.000 0.782 178 N N -0.283 118.456 118.700 0.066 0.000 2.409 178 N HA -0.121 4.617 4.740 -0.003 0.000 0.179 178 N C 1.719 177.244 175.510 0.024 0.000 1.032 178 N CA 0.839 53.909 53.050 0.032 0.000 0.898 178 N CB -0.423 38.068 38.487 0.005 0.000 0.971 178 N HN 0.240 nan 8.380 nan 0.000 0.441 179 E N 0.385 120.616 120.200 0.052 0.000 2.112 179 E HA -0.111 4.237 4.350 -0.003 0.000 0.190 179 E C 1.840 178.516 176.600 0.126 0.000 0.979 179 E CA 0.687 57.117 56.400 0.049 0.000 0.814 179 E CB -0.392 29.343 29.700 0.059 0.000 0.762 179 E HN 0.446 nan 8.360 nan 0.000 0.460 180 Y N 0.733 121.112 120.300 0.130 0.000 2.242 180 Y HA -0.147 4.401 4.550 -0.003 0.000 0.291 180 Y C 2.051 178.072 175.900 0.201 0.000 1.137 180 Y CA 1.638 59.888 58.100 0.250 0.000 1.181 180 Y CB -0.148 38.386 38.460 0.124 0.000 0.989 180 Y HN 0.197 nan 8.280 nan 0.000 0.527 181 S N -0.644 115.028 115.700 -0.047 0.000 2.660 181 S HA 0.003 4.471 4.470 -0.003 0.000 0.223 181 S C 1.339 175.826 174.600 -0.189 0.000 0.963 181 S CA 0.567 58.673 58.200 -0.157 0.000 0.932 181 S CB -0.903 62.277 63.200 -0.033 0.000 0.775 181 S HN 0.576 nan 8.310 nan 0.000 0.531 182 I N -0.618 119.815 120.570 -0.229 0.000 3.035 182 I HA 0.092 4.260 4.170 -0.003 0.000 0.271 182 I C 1.564 177.493 176.117 -0.313 0.000 1.190 182 I CA 0.396 61.532 61.300 -0.273 0.000 1.472 182 I CB -0.121 37.674 38.000 -0.340 0.000 1.116 182 I HN 0.252 nan 8.210 nan 0.000 0.443 183 Y N 1.876 121.995 120.300 -0.301 0.000 2.421 183 Y HA -0.212 4.336 4.550 -0.003 0.000 0.292 183 Y C 2.474 178.232 175.900 -0.237 0.000 1.136 183 Y CA 1.182 59.124 58.100 -0.262 0.000 1.255 183 Y CB -0.243 38.022 38.460 -0.326 0.000 0.991 183 Y HN 0.196 nan 8.280 nan 0.000 0.552 184 K N 0.763 121.075 120.400 -0.148 0.000 2.296 184 K HA -0.042 4.276 4.320 -0.003 0.000 0.200 184 K C -0.032 176.472 176.600 -0.159 0.000 1.048 184 K CA 0.468 56.664 56.287 -0.151 0.000 0.966 184 K CB -0.220 32.182 32.500 -0.163 0.000 0.754 184 K HN 0.208 nan 8.250 nan 0.000 0.466 185 E N 1.772 121.889 120.200 -0.138 0.000 2.417 185 E HA -0.012 4.336 4.350 -0.003 0.000 0.261 185 E C 0.124 176.663 176.600 -0.102 0.000 1.000 185 E CA 0.010 56.342 56.400 -0.113 0.000 0.919 185 E CB 0.969 30.617 29.700 -0.085 0.000 0.955 185 E HN 0.219 nan 8.360 nan 0.000 0.455 186 K N 2.386 122.706 120.400 -0.134 0.000 2.305 186 K HA -0.040 4.278 4.320 -0.003 0.000 0.199 186 K C 0.202 176.865 176.600 0.104 0.000 1.047 186 K CA 0.784 56.969 56.287 -0.169 0.000 0.976 186 K CB 0.223 32.500 32.500 -0.372 0.000 0.765 186 K HN 0.579 nan 8.250 nan 0.000 0.474 187 E N -0.181 120.088 120.200 0.115 0.000 2.392 187 E HA 0.395 4.743 4.350 -0.003 0.000 0.279 187 E C -1.081 175.661 176.600 0.236 0.000 0.964 187 E CA -1.069 55.443 56.400 0.187 0.000 0.777 187 E CB 1.367 31.159 29.700 0.153 0.000 1.249 187 E HN -0.055 nan 8.360 nan 0.000 0.449 188 F N -0.736 119.242 119.950 0.045 0.000 2.662 188 F HA 0.739 5.265 4.527 -0.003 0.000 0.312 188 F C -1.713 174.126 175.800 0.064 0.000 1.113 188 F CA -0.643 57.380 58.000 0.038 0.000 0.951 188 F CB 2.148 41.157 39.000 0.016 0.000 1.344 188 F HN 0.349 nan 8.300 nan 0.000 0.462 189 T N 3.275 117.508 114.554 -0.535 0.000 2.812 189 T HA 0.553 4.902 4.350 -0.003 0.000 0.282 189 T C -2.020 172.376 174.700 -0.505 0.000 0.990 189 T CA -0.195 61.600 62.100 -0.508 0.000 0.960 189 T CB 0.803 69.563 68.868 -0.179 0.000 0.948 189 T HN 0.571 nan 8.240 nan 0.000 0.438 190 F N 4.504 124.074 119.950 -0.633 0.000 2.539 190 F HA 0.520 5.046 4.527 -0.003 0.000 0.328 190 F C 0.297 176.001 175.800 -0.161 0.000 1.148 190 F CA -0.854 56.967 58.000 -0.299 0.000 0.940 190 F CB 0.962 39.851 39.000 -0.185 0.000 1.194 190 F HN 0.576 nan 8.300 nan 0.000 0.438 191 N N 4.415 122.675 118.700 -0.733 0.000 2.726 191 N HA -0.162 4.577 4.740 -0.003 0.000 0.253 191 N C 0.820 176.139 175.510 -0.318 0.000 1.059 191 N CA 1.421 54.090 53.050 -0.636 0.000 0.701 191 N CB -1.020 36.938 38.487 -0.881 0.000 0.899 191 N HN 1.539 nan 8.380 nan 0.000 0.548 192 G N -1.325 107.337 108.800 -0.230 0.000 2.189 192 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.267 192 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.267 192 G C 0.166 174.990 174.900 -0.128 0.000 0.975 192 G CA 0.760 45.768 45.100 -0.153 0.000 0.644 192 G HN 0.581 nan 8.290 nan 0.000 0.537 193 I N -0.062 120.423 120.570 -0.141 0.000 2.441 193 I HA 0.545 4.713 4.170 -0.003 0.000 0.295 193 I C 0.509 176.549 176.117 -0.128 0.000 0.994 193 I CA -1.034 60.202 61.300 -0.107 0.000 1.144 193 I CB 1.855 39.807 38.000 -0.081 0.000 1.314 193 I HN 0.156 nan 8.210 nan 0.000 0.445 194 R N 4.543 124.988 120.500 -0.091 0.000 2.349 194 R HA 0.419 4.758 4.340 -0.003 0.000 0.299 194 R C -1.026 175.244 176.300 -0.050 0.000 1.027 194 R CA -0.456 55.592 56.100 -0.088 0.000 0.958 194 R CB 0.754 31.033 30.300 -0.035 0.000 1.047 194 R HN 0.489 nan 8.270 nan 0.000 0.468 195 Q N 4.786 124.554 119.800 -0.053 0.000 2.327 195 Q HA 0.278 4.616 4.340 -0.003 0.000 0.270 195 Q C -0.821 175.273 176.000 0.157 0.000 1.022 195 Q CA -0.588 55.247 55.803 0.053 0.000 0.773 195 Q CB 2.101 30.878 28.738 0.065 0.000 1.251 195 Q HN 0.618 nan 8.270 nan 0.000 0.457 196 L N 2.316 123.638 121.223 0.164 0.000 2.331 196 L HA 0.223 4.562 4.340 -0.003 0.000 0.278 196 L C 0.916 177.948 176.870 0.270 0.000 1.106 196 L CA -0.576 54.409 54.840 0.241 0.000 0.824 196 L CB 0.483 42.661 42.059 0.197 0.000 1.142 196 L HN 0.506 nan 8.230 nan 0.000 0.443 197 N N 2.749 121.647 118.700 0.330 0.000 2.294 197 N HA -0.085 4.654 4.740 -0.003 0.000 0.263 197 N C 0.810 176.527 175.510 0.346 0.000 1.281 197 N CA 0.511 53.741 53.050 0.300 0.000 0.846 197 N CB 0.677 39.305 38.487 0.234 0.000 1.061 197 N HN 0.501 nan 8.380 nan 0.000 0.478 198 R N 1.657 122.302 120.500 0.240 0.000 2.299 198 R HA 0.012 4.350 4.340 -0.003 0.000 0.197 198 R C 0.122 176.546 176.300 0.207 0.000 0.971 198 R CA 0.024 56.241 56.100 0.196 0.000 1.030 198 R CB -0.026 30.369 30.300 0.158 0.000 0.932 198 R HN 0.428 nan 8.270 nan 0.000 0.477 199 N N 1.067 119.917 118.700 0.250 0.000 2.421 199 N HA 0.007 4.745 4.740 -0.003 0.000 0.260 199 N C 0.628 176.356 175.510 0.363 0.000 1.173 199 N CA -0.141 53.046 53.050 0.229 0.000 0.960 199 N CB 1.086 39.676 38.487 0.172 0.000 1.273 199 N HN 0.192 nan 8.380 nan 0.000 0.497 200 G N 2.643 111.613 108.800 0.283 0.000 2.848 200 G HA2 -0.051 3.907 3.960 -0.003 0.000 0.208 200 G HA3 -0.051 3.907 3.960 -0.003 0.000 0.208 200 G C 1.288 176.401 174.900 0.355 0.000 1.152 200 G CA 0.010 45.317 45.100 0.346 0.000 0.789 200 G HN 0.596 nan 8.290 nan 0.000 0.531 201 L N 0.135 121.497 121.223 0.231 0.000 2.376 201 L HA 0.129 4.468 4.340 -0.003 0.000 0.219 201 L C 2.555 179.516 176.870 0.152 0.000 1.133 201 L CA 0.144 55.080 54.840 0.161 0.000 0.816 201 L CB -0.114 42.007 42.059 0.104 0.000 0.933 201 L HN 0.252 nan 8.230 nan 0.000 0.449 202 L N -1.361 119.954 121.223 0.154 0.000 2.131 202 L HA -0.232 4.107 4.340 -0.003 0.000 0.210 202 L C 2.026 178.829 176.870 -0.112 0.000 1.092 202 L CA 1.408 56.206 54.840 -0.071 0.000 0.759 202 L CB -0.470 41.388 42.059 -0.336 0.000 0.903 202 L HN 0.519 nan 8.230 nan 0.000 0.435 203 W N -0.249 121.058 121.300 0.012 0.000 3.256 203 W HA 0.045 4.703 4.660 -0.003 0.000 0.269 203 W C 0.608 177.130 176.519 0.005 0.000 1.310 203 W CA -0.292 57.058 57.345 0.008 0.000 1.673 203 W CB 0.033 29.499 29.460 0.009 0.000 1.115 203 W HN 0.053 nan 8.180 nan 0.000 0.686 204 D N 0.820 121.335 120.400 0.193 0.000 2.339 204 D HA 0.012 4.650 4.640 -0.003 0.000 0.256 204 D C 0.599 176.940 176.300 0.069 0.000 1.214 204 D CA 0.355 54.425 54.000 0.117 0.000 0.877 204 D CB 0.557 41.413 40.800 0.094 0.000 1.111 204 D HN 0.128 nan 8.370 nan 0.000 0.478 205 N N 0.784 119.520 118.700 0.059 0.000 2.422 205 N HA -0.106 4.632 4.740 -0.003 0.000 0.181 205 N C 1.773 177.290 175.510 0.011 0.000 1.080 205 N CA 0.081 53.150 53.050 0.031 0.000 0.893 205 N CB 0.392 38.901 38.487 0.036 0.000 0.973 205 N HN 0.316 nan 8.380 nan 0.000 0.456 206 S N 0.114 115.824 115.700 0.016 0.000 2.395 206 S HA 0.073 4.541 4.470 -0.003 0.000 0.225 206 S C 0.756 175.346 174.600 -0.017 0.000 1.027 206 S CA 0.237 58.438 58.200 0.002 0.000 0.965 206 S CB 0.003 63.211 63.200 0.014 0.000 0.812 206 S HN 0.081 nan 8.310 nan 0.000 0.482 207 L N 1.404 122.626 121.223 -0.002 0.000 2.365 207 L HA 0.483 4.821 4.340 -0.003 0.000 0.267 207 L C -0.342 176.510 176.870 -0.030 0.000 1.033 207 L CA -0.919 53.911 54.840 -0.017 0.000 0.802 207 L CB 0.850 42.937 42.059 0.047 0.000 1.267 207 L HN 0.122 nan 8.230 nan 0.000 0.457 208 N N 1.071 119.741 118.700 -0.051 0.000 3.228 208 N HA 0.193 4.931 4.740 -0.003 0.000 0.289 208 N C -0.820 174.694 175.510 0.006 0.000 1.419 208 N CA -0.112 52.914 53.050 -0.040 0.000 1.088 208 N CB 0.846 39.290 38.487 -0.072 0.000 1.357 208 N HN 0.128 nan 8.380 nan 0.000 0.504 209 V N 1.407 121.333 119.914 0.020 0.000 2.614 209 V HA 0.114 4.232 4.120 -0.003 0.000 0.291 209 V C 0.832 176.930 176.094 0.008 0.000 1.049 209 V CA -0.072 62.253 62.300 0.041 0.000 1.038 209 V CB 1.263 33.118 31.823 0.055 0.000 0.980 209 V HN 0.471 nan 8.190 nan 0.000 0.481 210 D N 1.250 121.670 120.400 0.033 0.000 2.538 210 D HA 0.395 5.033 4.640 -0.003 0.000 0.241 210 D C 0.247 176.520 176.300 -0.044 0.000 1.297 210 D CA 0.472 54.462 54.000 -0.016 0.000 0.804 210 D CB 0.720 41.517 40.800 -0.003 0.000 1.122 210 D HN 0.761 nan 8.370 nan 0.000 0.519 211 G N -0.739 108.090 108.800 0.047 0.000 2.488 211 G HA2 0.467 4.426 3.960 -0.003 0.000 0.301 211 G HA3 0.467 4.426 3.960 -0.003 0.000 0.301 211 G C -0.430 174.502 174.900 0.053 0.000 1.339 211 G CA -0.619 44.506 45.100 0.042 0.000 0.803 211 G HN 0.010 nan 8.290 nan 0.000 0.482 212 I N -1.170 119.402 120.570 0.002 0.000 3.623 212 I HA 0.437 4.606 4.170 -0.003 0.000 0.253 212 I C 0.351 176.392 176.117 -0.128 0.000 1.144 212 I CA 0.123 61.324 61.300 -0.166 0.000 1.461 212 I CB 0.916 38.794 38.000 -0.204 0.000 1.575 212 I HN 0.343 nan 8.210 nan 0.000 0.445 213 K N 0.465 120.851 120.400 -0.023 0.000 2.525 213 K HA 0.429 4.747 4.320 -0.003 0.000 0.254 213 K C -0.991 175.662 176.600 0.088 0.000 0.934 213 K CA -0.257 56.065 56.287 0.058 0.000 0.802 213 K CB 2.541 35.068 32.500 0.044 0.000 1.295 213 K HN -0.068 nan 8.250 nan 0.000 0.433 214 T N 1.047 115.673 114.554 0.121 0.000 2.945 214 T HA 0.874 5.223 4.350 -0.003 0.000 0.286 214 T C -0.911 173.875 174.700 0.143 0.000 1.025 214 T CA -0.217 61.963 62.100 0.133 0.000 1.039 214 T CB 1.225 70.178 68.868 0.142 0.000 1.068 214 T HN 0.737 nan 8.240 nan 0.000 0.497 215 G N 2.039 110.937 108.800 0.164 0.000 2.733 215 G HA2 0.523 4.482 3.960 -0.003 0.000 0.297 215 G HA3 0.523 4.482 3.960 -0.003 0.000 0.297 215 G C -2.091 172.916 174.900 0.179 0.000 1.452 215 G CA -0.463 44.728 45.100 0.151 0.000 0.940 215 G HN 0.860 nan 8.290 nan 0.000 0.547 216 H N 0.255 119.330 119.070 0.008 0.000 3.087 216 H HA 0.674 5.229 4.556 -0.003 0.000 0.348 216 H C -1.057 174.211 175.328 -0.101 0.000 1.092 216 H CA 0.201 56.173 56.048 -0.126 0.000 1.285 216 H CB 2.300 31.911 29.762 -0.252 0.000 1.875 216 H HN 0.958 nan 8.280 nan 0.000 0.512 217 T N 1.105 115.183 114.554 -0.793 0.000 2.841 217 T HA 0.187 4.535 4.350 -0.003 0.000 0.296 217 T C 0.390 174.622 174.700 -0.780 0.000 1.166 217 T CA -0.795 60.938 62.100 -0.612 0.000 1.007 217 T CB 1.997 70.719 68.868 -0.245 0.000 1.253 217 T HN 0.381 nan 8.240 nan 0.000 0.511 218 D N 0.112 120.277 120.400 -0.391 0.000 2.117 218 D HA -0.059 4.580 4.640 -0.003 0.000 0.198 218 D C 1.755 177.962 176.300 -0.154 0.000 0.982 218 D CA 1.130 55.001 54.000 -0.214 0.000 0.828 218 D CB 0.080 40.837 40.800 -0.073 0.000 0.967 218 D HN 0.585 nan 8.370 nan 0.000 0.464 219 K N 0.323 120.646 120.400 -0.130 0.000 2.057 219 K HA -0.057 4.261 4.320 -0.003 0.000 0.207 219 K C 1.826 178.378 176.600 -0.081 0.000 1.049 219 K CA 1.157 57.398 56.287 -0.077 0.000 0.931 219 K CB 0.084 32.553 32.500 -0.051 0.000 0.714 219 K HN -0.001 nan 8.250 nan 0.000 0.440 220 A N 0.385 123.126 122.820 -0.132 0.000 2.081 220 A HA 0.245 4.563 4.320 -0.003 0.000 0.214 220 A C 0.967 178.494 177.584 -0.095 0.000 1.158 220 A CA 1.052 53.032 52.037 -0.095 0.000 0.724 220 A CB -0.314 18.638 19.000 -0.081 0.000 0.826 220 A HN 0.517 nan 8.150 nan 0.000 0.463 221 G N -1.425 107.257 108.800 -0.198 0.000 2.598 221 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.244 221 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.244 221 G C -0.388 174.467 174.900 -0.075 0.000 1.302 221 G CA 0.019 45.063 45.100 -0.094 0.000 0.903 221 G HN 0.523 nan 8.290 nan 0.000 0.575 222 Y N 1.770 122.227 120.300 0.262 0.000 2.350 222 Y HA 0.522 5.070 4.550 -0.003 0.000 0.340 222 Y C 0.747 176.725 175.900 0.129 0.000 1.006 222 Y CA -0.566 57.674 58.100 0.233 0.000 1.166 222 Y CB 1.300 39.850 38.460 0.151 0.000 1.168 222 Y HN 0.471 nan 8.280 nan 0.000 0.502 223 N N 3.453 122.293 118.700 0.234 0.000 2.361 223 N HA 0.587 5.325 4.740 -0.003 0.000 0.302 223 N C -1.734 173.867 175.510 0.151 0.000 1.074 223 N CA -0.679 52.467 53.050 0.161 0.000 0.850 223 N CB 2.452 41.010 38.487 0.118 0.000 1.228 223 N HN 0.485 nan 8.380 nan 0.000 0.491 224 L N 1.051 122.344 121.223 0.116 0.000 2.482 224 L HA 0.542 4.880 4.340 -0.003 0.000 0.263 224 L C -1.686 175.228 176.870 0.073 0.000 0.957 224 L CA -0.675 54.220 54.840 0.093 0.000 0.836 224 L CB 2.066 44.172 42.059 0.079 0.000 1.324 224 L HN 0.254 nan 8.230 nan 0.000 0.406 225 V N 4.680 124.629 119.914 0.058 0.000 2.350 225 V HA 0.890 5.008 4.120 -0.003 0.000 0.285 225 V C 0.181 176.294 176.094 0.031 0.000 1.014 225 V CA -0.062 62.261 62.300 0.038 0.000 0.831 225 V CB 1.034 32.868 31.823 0.019 0.000 1.000 225 V HN 0.987 nan 8.190 nan 0.000 0.433 226 A N 3.804 126.648 122.820 0.041 0.000 2.330 226 A HA 0.944 5.262 4.320 -0.003 0.000 0.329 226 A C -0.219 177.395 177.584 0.050 0.000 1.135 226 A CA -0.542 51.526 52.037 0.052 0.000 0.817 226 A CB 1.981 21.019 19.000 0.065 0.000 1.269 226 A HN 0.720 nan 8.150 nan 0.000 0.469 227 S N -0.912 114.831 115.700 0.073 0.000 2.549 227 S HA 0.812 5.280 4.470 -0.003 0.000 0.280 227 S C -0.804 173.864 174.600 0.114 0.000 1.109 227 S CA 0.223 58.465 58.200 0.069 0.000 0.905 227 S CB 1.544 64.755 63.200 0.018 0.000 1.081 227 S HN 2.154 nan 8.310 nan 0.000 0.477 228 A N 1.911 124.825 122.820 0.156 0.000 2.572 228 A HA 0.868 5.186 4.320 -0.003 0.000 0.295 228 A C -0.389 177.370 177.584 0.292 0.000 1.072 228 A CA -0.554 51.614 52.037 0.219 0.000 0.691 228 A CB 1.449 20.640 19.000 0.318 0.000 1.291 228 A HN 1.094 nan 8.150 nan 0.000 0.404 229 T N -1.685 112.943 114.554 0.122 0.000 2.924 229 T HA 0.770 5.118 4.350 -0.003 0.000 0.291 229 T C -0.600 173.957 174.700 -0.238 0.000 1.045 229 T CA -0.457 61.671 62.100 0.047 0.000 1.015 229 T CB 1.943 70.816 68.868 0.008 0.000 1.103 229 T HN 0.733 nan 8.240 nan 0.000 0.496 230 E N 0.478 120.541 120.200 -0.228 0.000 3.011 230 E HA 0.457 4.806 4.350 -0.003 0.000 0.315 230 E C 0.876 177.414 176.600 -0.104 0.000 1.176 230 E CA 0.203 56.403 56.400 -0.333 0.000 0.819 230 E CB -0.250 29.019 29.700 -0.719 0.000 1.508 230 E HN 1.239 nan 8.360 nan 0.000 0.381 231 G N 2.533 111.294 108.800 -0.065 0.000 2.677 231 G HA2 -0.451 3.507 3.960 -0.003 0.000 0.321 231 G HA3 -0.451 3.507 3.960 -0.003 0.000 0.321 231 G C 0.747 175.660 174.900 0.022 0.000 1.181 231 G CA 0.514 45.604 45.100 -0.016 0.000 0.965 231 G HN 0.517 nan 8.290 nan 0.000 0.548 232 Q N 0.644 120.471 119.800 0.045 0.000 2.291 232 Q HA 0.486 4.824 4.340 -0.003 0.000 0.211 232 Q C 0.627 176.684 176.000 0.096 0.000 0.925 232 Q CA 0.160 56.006 55.803 0.072 0.000 0.949 232 Q CB -0.095 28.691 28.738 0.081 0.000 1.015 232 Q HN 0.516 nan 8.270 nan 0.000 0.477 233 M N 0.508 120.179 119.600 0.118 0.000 2.238 233 M HA 0.324 4.802 4.480 -0.003 0.000 0.278 233 M C -1.792 174.666 176.300 0.264 0.000 1.040 233 M CA -0.449 54.968 55.300 0.196 0.000 0.969 233 M CB 1.884 34.660 32.600 0.294 0.000 1.694 233 M HN -0.103 nan 8.290 nan 0.000 0.472 234 R N 5.240 125.852 120.500 0.186 0.000 2.480 234 R HA 0.764 5.103 4.340 -0.003 0.000 0.306 234 R C -2.096 174.264 176.300 0.099 0.000 0.958 234 R CA -0.488 55.703 56.100 0.153 0.000 0.861 234 R CB 1.504 31.795 30.300 -0.015 0.000 1.171 234 R HN 0.797 nan 8.270 nan 0.000 0.445 235 L N 5.297 126.552 121.223 0.054 0.000 2.330 235 L HA 0.631 4.969 4.340 -0.003 0.000 0.271 235 L C -0.437 176.423 176.870 -0.016 0.000 1.013 235 L CA -1.143 53.646 54.840 -0.084 0.000 0.816 235 L CB 2.121 43.953 42.059 -0.379 0.000 1.287 235 L HN 0.580 nan 8.230 nan 0.000 0.435 236 I N 0.947 121.505 120.570 -0.019 0.000 2.533 236 I HA 0.341 4.509 4.170 -0.003 0.000 0.290 236 I C -0.494 175.626 176.117 0.005 0.000 1.056 236 I CA -0.343 60.957 61.300 -0.001 0.000 1.057 236 I CB 2.258 40.259 38.000 0.002 0.000 1.240 236 I HN 0.572 nan 8.210 nan 0.000 0.423 237 S N 4.178 119.892 115.700 0.022 0.000 2.532 237 S HA 0.910 5.378 4.470 -0.003 0.000 0.301 237 S C -0.647 173.983 174.600 0.050 0.000 1.083 237 S CA -0.741 57.484 58.200 0.041 0.000 1.025 237 S CB 2.257 65.483 63.200 0.042 0.000 1.056 237 S HN 0.761 nan 8.310 nan 0.000 0.494 238 A N 2.281 125.143 122.820 0.069 0.000 2.311 238 A HA 0.711 5.029 4.320 -0.003 0.000 0.306 238 A C -0.911 176.738 177.584 0.109 0.000 1.189 238 A CA -0.740 51.340 52.037 0.073 0.000 0.791 238 A CB 0.992 20.026 19.000 0.056 0.000 1.172 238 A HN 0.908 nan 8.150 nan 0.000 0.481 239 V N 4.200 124.175 119.914 0.102 0.000 2.409 239 V HA 0.530 4.649 4.120 -0.003 0.000 0.291 239 V C -0.082 176.081 176.094 0.114 0.000 1.020 239 V CA -0.041 62.332 62.300 0.121 0.000 0.848 239 V CB 1.194 33.069 31.823 0.086 0.000 0.990 239 V HN 0.964 nan 8.190 nan 0.000 0.430 240 M N 2.809 122.478 119.600 0.115 0.000 2.464 240 M HA 0.600 5.078 4.480 -0.003 0.000 0.308 240 M C 0.799 177.160 176.300 0.102 0.000 1.127 240 M CA -0.371 54.990 55.300 0.101 0.000 0.913 240 M CB 2.172 34.818 32.600 0.076 0.000 1.689 240 M HN 0.855 nan 8.290 nan 0.000 0.445 241 G N 1.801 110.664 108.800 0.105 0.000 2.246 241 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.273 241 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.273 241 G C 0.292 175.283 174.900 0.152 0.000 1.055 241 G CA 0.039 45.204 45.100 0.108 0.000 0.851 241 G HN 1.172 nan 8.290 nan 0.000 0.500 242 G N -0.805 108.116 108.800 0.202 0.000 2.225 242 G HA2 0.304 4.263 3.960 -0.003 0.000 0.245 242 G HA3 0.304 4.263 3.960 -0.003 0.000 0.245 242 G C 0.908 175.993 174.900 0.307 0.000 1.249 242 G CA 0.191 45.424 45.100 0.223 0.000 0.919 242 G HN 0.612 nan 8.290 nan 0.000 0.486 243 R N 0.346 120.967 120.500 0.200 0.000 2.200 243 R HA 0.105 4.443 4.340 -0.003 0.000 0.208 243 R C 1.551 177.993 176.300 0.237 0.000 1.033 243 R CA 1.222 57.444 56.100 0.203 0.000 1.000 243 R CB 0.224 30.596 30.300 0.119 0.000 0.906 243 R HN 0.661 nan 8.270 nan 0.000 0.462 244 T N -3.374 111.260 114.554 0.134 0.000 2.901 244 T HA 0.348 4.697 4.350 -0.003 0.000 0.293 244 T C -0.475 174.021 174.700 -0.339 0.000 1.084 244 T CA -0.951 61.169 62.100 0.033 0.000 1.008 244 T CB 1.418 70.297 68.868 0.020 0.000 1.170 244 T HN 0.009 nan 8.240 nan 0.000 0.509 245 F N 2.619 122.292 119.950 -0.463 0.000 2.490 245 F HA 0.342 4.867 4.527 -0.003 0.000 0.336 245 F C 1.701 177.276 175.800 -0.375 0.000 1.178 245 F CA 0.469 58.084 58.000 -0.640 0.000 1.301 245 F CB 0.418 39.239 39.000 -0.298 0.000 1.175 245 F HN 0.885 nan 8.300 nan 0.000 0.593 246 K N 1.618 121.395 120.400 -1.039 0.000 4.770 246 K HA -0.253 4.066 4.320 -0.003 0.000 0.417 246 K C 1.467 177.857 176.600 -0.349 0.000 0.474 246 K CA 1.563 57.497 56.287 -0.589 0.000 1.797 246 K CB -2.030 30.340 32.500 -0.216 0.000 1.001 246 K HN 0.913 nan 8.250 nan 0.000 0.567 247 G N 2.305 110.940 108.800 -0.274 0.000 2.501 247 G HA2 -0.307 3.652 3.960 -0.003 0.000 0.220 247 G HA3 -0.307 3.652 3.960 -0.003 0.000 0.220 247 G C 1.536 176.327 174.900 -0.183 0.000 1.114 247 G CA 1.361 46.355 45.100 -0.176 0.000 0.757 247 G HN 0.598 nan 8.290 nan 0.000 0.559 248 R N 0.743 121.063 120.500 -0.299 0.000 2.115 248 R HA -0.152 4.186 4.340 -0.003 0.000 0.239 248 R C 1.958 178.193 176.300 -0.108 0.000 1.133 248 R CA 1.864 57.842 56.100 -0.204 0.000 0.935 248 R CB -0.742 29.366 30.300 -0.319 0.000 0.853 248 R HN 0.405 nan 8.270 nan 0.000 0.433 249 E N 0.599 120.717 120.200 -0.138 0.000 2.230 249 E HA 0.045 4.393 4.350 -0.003 0.000 0.192 249 E C 2.125 178.696 176.600 -0.048 0.000 0.987 249 E CA 0.649 57.009 56.400 -0.067 0.000 0.841 249 E CB 0.059 29.719 29.700 -0.066 0.000 0.783 249 E HN 0.525 nan 8.360 nan 0.000 0.481 250 A N 1.694 124.469 122.820 -0.075 0.000 1.873 250 A HA -0.176 4.142 4.320 -0.003 0.000 0.215 250 A C 1.978 179.536 177.584 -0.044 0.000 1.186 250 A CA 1.094 53.100 52.037 -0.051 0.000 0.616 250 A CB -0.194 18.769 19.000 -0.062 0.000 0.823 250 A HN 0.022 nan 8.150 nan 0.000 0.442 251 E N 0.425 120.589 120.200 -0.060 0.000 2.110 251 E HA -0.107 4.241 4.350 -0.003 0.000 0.193 251 E C 2.326 178.878 176.600 -0.079 0.000 0.988 251 E CA 1.365 57.718 56.400 -0.078 0.000 0.804 251 E CB -0.577 29.076 29.700 -0.077 0.000 0.745 251 E HN 0.535 nan 8.360 nan 0.000 0.458 252 S N 0.852 116.528 115.700 -0.040 0.000 2.355 252 S HA -0.135 4.333 4.470 -0.003 0.000 0.222 252 S C 1.898 176.507 174.600 0.015 0.000 1.031 252 S CA 1.199 59.391 58.200 -0.012 0.000 0.993 252 S CB -0.098 63.112 63.200 0.016 0.000 0.859 252 S HN 0.222 nan 8.310 nan 0.000 0.453 253 K N 1.363 121.778 120.400 0.025 0.000 2.074 253 K HA -0.177 4.142 4.320 -0.003 0.000 0.209 253 K C 2.015 178.659 176.600 0.075 0.000 1.048 253 K CA 1.337 57.659 56.287 0.059 0.000 0.926 253 K CB -0.116 32.412 32.500 0.046 0.000 0.713 253 K HN 0.196 nan 8.250 nan 0.000 0.444 254 K N 0.506 120.926 120.400 0.034 0.000 2.034 254 K HA -0.189 4.129 4.320 -0.003 0.000 0.214 254 K C 2.195 178.846 176.600 0.084 0.000 1.051 254 K CA 1.857 58.167 56.287 0.038 0.000 0.931 254 K CB -0.237 32.231 32.500 -0.052 0.000 0.715 254 K HN 0.208 nan 8.250 nan 0.000 0.446 255 L N 0.781 122.009 121.223 0.007 0.000 2.056 255 L HA -0.198 4.140 4.340 -0.003 0.000 0.207 255 L C 2.350 179.335 176.870 0.191 0.000 1.078 255 L CA 1.064 55.920 54.840 0.027 0.000 0.749 255 L CB -0.305 41.707 42.059 -0.078 0.000 0.901 255 L HN 0.222 nan 8.230 nan 0.000 0.433 256 L N -1.292 120.015 121.223 0.139 0.000 2.007 256 L HA -0.163 4.175 4.340 -0.003 0.000 0.205 256 L C 2.579 179.591 176.870 0.236 0.000 1.073 256 L CA 1.458 56.367 54.840 0.116 0.000 0.744 256 L CB -1.131 41.035 42.059 0.179 0.000 0.898 256 L HN 0.173 nan 8.230 nan 0.000 0.435 257 T N -0.788 113.955 114.554 0.316 0.000 2.649 257 T HA -0.323 4.026 4.350 -0.003 0.000 0.268 257 T C 1.345 176.240 174.700 0.325 0.000 1.036 257 T CA 2.263 64.559 62.100 0.327 0.000 1.157 257 T CB -0.574 68.428 68.868 0.223 0.000 0.861 257 T HN 0.529 nan 8.240 nan 0.000 0.445 258 W N 1.705 123.109 121.300 0.173 0.000 2.358 258 W HA -0.037 4.621 4.660 -0.003 0.000 0.303 258 W C 2.481 179.225 176.519 0.374 0.000 1.208 258 W CA 1.198 58.717 57.345 0.289 0.000 1.274 258 W CB -0.799 28.817 29.460 0.261 0.000 1.138 258 W HN 0.247 nan 8.180 nan 0.000 0.515 259 G N -0.530 108.490 108.800 0.367 0.000 2.422 259 G HA2 -0.269 3.690 3.960 -0.003 0.000 0.218 259 G HA3 -0.269 3.690 3.960 -0.003 0.000 0.218 259 G C 1.357 176.283 174.900 0.042 0.000 1.146 259 G CA 0.922 46.107 45.100 0.141 0.000 0.769 259 G HN 0.374 nan 8.290 nan 0.000 0.547 260 F N -0.124 119.891 119.950 0.107 0.000 2.416 260 F HA 0.218 4.743 4.527 -0.002 0.000 0.296 260 F C 2.740 178.481 175.800 -0.098 0.000 1.099 260 F CA 0.600 58.614 58.000 0.024 0.000 1.427 260 F CB 0.107 39.117 39.000 0.016 0.000 1.079 260 F HN -0.013 nan 8.300 nan 0.000 0.536 261 R N -0.097 120.373 120.500 -0.051 0.000 2.073 261 R HA -0.083 4.256 4.340 -0.003 0.000 0.229 261 R C 1.519 177.408 176.300 -0.685 0.000 1.120 261 R CA 1.542 57.379 56.100 -0.438 0.000 0.967 261 R CB -0.221 29.642 30.300 -0.729 0.000 0.862 261 R HN 0.241 nan 8.270 nan 0.000 0.436 262 F N -1.351 118.352 119.950 -0.412 0.000 2.746 262 F HA 0.267 4.792 4.527 -0.003 0.000 0.297 262 F C -0.051 175.166 175.800 -0.971 0.000 1.113 262 F CA -0.266 57.260 58.000 -0.789 0.000 1.367 262 F CB 0.523 38.788 39.000 -1.226 0.000 1.111 262 F HN -0.158 nan 8.300 nan 0.000 0.590 263 F N 0.096 119.978 119.950 -0.112 0.000 2.593 263 F HA 0.482 5.008 4.527 -0.003 0.000 0.320 263 F C -0.297 175.488 175.800 -0.026 0.000 1.060 263 F CA -1.504 56.452 58.000 -0.075 0.000 0.940 263 F CB 1.498 40.433 39.000 -0.108 0.000 1.268 263 F HN -0.195 nan 8.300 nan 0.000 0.475 264 E N -0.478 119.832 120.200 0.183 0.000 2.356 264 E HA 0.561 4.910 4.350 -0.003 0.000 0.275 264 E C -1.758 174.912 176.600 0.117 0.000 0.904 264 E CA -0.940 55.541 56.400 0.135 0.000 0.757 264 E CB 2.117 31.869 29.700 0.087 0.000 1.232 264 E HN 0.445 nan 8.360 nan 0.000 0.442 265 T N 1.801 116.421 114.554 0.110 0.000 2.799 265 T HA 0.479 4.827 4.350 -0.003 0.000 0.286 265 T C -0.371 174.395 174.700 0.110 0.000 0.973 265 T CA -0.522 61.638 62.100 0.100 0.000 1.035 265 T CB 1.069 69.992 68.868 0.090 0.000 0.932 265 T HN 0.482 nan 8.240 nan 0.000 0.469 266 V N 1.767 121.737 119.914 0.093 0.000 2.864 266 V HA 0.639 4.758 4.120 -0.003 0.000 0.314 266 V C -0.252 175.867 176.094 0.040 0.000 1.073 266 V CA -1.131 61.207 62.300 0.063 0.000 0.956 266 V CB 2.057 33.888 31.823 0.013 0.000 1.023 266 V HN 0.910 nan 8.190 nan 0.000 0.435 267 N N 3.645 122.338 118.700 -0.011 0.000 2.898 267 N HA 0.391 5.130 4.740 -0.003 0.000 0.245 267 N C -1.699 173.723 175.510 -0.146 0.000 1.185 267 N CA -1.609 51.324 53.050 -0.195 0.000 0.879 267 N CB 1.771 40.139 38.487 -0.198 0.000 1.157 267 N HN 0.666 nan 8.380 nan 0.000 0.503 268 P HA -0.021 nan 4.420 nan 0.000 0.223 268 P C -0.264 177.049 177.300 0.022 0.000 1.151 268 P CA 0.514 63.599 63.100 -0.026 0.000 0.787 268 P CB 0.541 32.238 31.700 -0.006 0.000 0.788 269 L N -0.747 120.435 121.223 -0.068 0.000 2.641 269 L HA 0.352 4.690 4.340 -0.003 0.000 0.261 269 L C -1.293 175.510 176.870 -0.111 0.000 0.926 269 L CA -0.743 54.081 54.840 -0.025 0.000 0.917 269 L CB 1.747 43.829 42.059 0.039 0.000 1.361 269 L HN -0.273 nan 8.230 nan 0.000 0.417 270 K N 3.662 124.019 120.400 -0.071 0.000 2.166 270 K HA 0.680 4.998 4.320 -0.003 0.000 0.245 270 K C -0.545 176.029 176.600 -0.043 0.000 0.967 270 K CA -0.879 55.359 56.287 -0.082 0.000 0.863 270 K CB 1.749 34.216 32.500 -0.056 0.000 1.107 270 K HN 0.374 nan 8.250 nan 0.000 0.436 271 V N 0.960 120.851 119.914 -0.038 0.000 2.720 271 V HA 0.087 4.205 4.120 -0.003 0.000 0.307 271 V C 1.616 177.704 176.094 -0.008 0.000 1.071 271 V CA 1.443 63.731 62.300 -0.020 0.000 1.199 271 V CB -0.515 31.302 31.823 -0.011 0.000 0.900 271 V HN 1.129 nan 8.190 nan 0.000 0.494 272 G N 3.043 111.840 108.800 -0.005 0.000 2.253 272 G HA2 -0.287 3.672 3.960 -0.003 0.000 0.251 272 G HA3 -0.287 3.672 3.960 -0.003 0.000 0.251 272 G C 0.277 175.180 174.900 0.005 0.000 0.998 272 G CA 0.417 45.517 45.100 -0.000 0.000 0.621 272 G HN 0.952 nan 8.290 nan 0.000 0.524 273 K N 1.730 122.137 120.400 0.011 0.000 2.249 273 K HA 0.501 4.819 4.320 -0.003 0.000 0.280 273 K C 0.318 176.942 176.600 0.041 0.000 1.033 273 K CA -0.314 55.987 56.287 0.024 0.000 0.946 273 K CB 0.736 33.254 32.500 0.029 0.000 1.005 273 K HN 0.306 nan 8.250 nan 0.000 0.469 274 E N 4.799 125.018 120.200 0.033 0.000 2.166 274 E HA 0.007 4.355 4.350 -0.003 0.000 0.279 274 E C -0.273 176.368 176.600 0.069 0.000 1.095 274 E CA -0.107 56.312 56.400 0.031 0.000 0.888 274 E CB 0.220 29.917 29.700 -0.006 0.000 1.041 274 E HN 0.755 nan 8.360 nan 0.000 0.414 275 F N 4.457 124.359 119.950 -0.080 0.000 2.270 275 F HA 0.268 4.793 4.527 -0.003 0.000 0.295 275 F C 0.343 176.065 175.800 -0.130 0.000 1.087 275 F CA 0.747 58.693 58.000 -0.090 0.000 1.365 275 F CB 0.556 39.488 39.000 -0.113 0.000 1.056 275 F HN 0.500 nan 8.300 nan 0.000 0.506 276 A N -0.670 122.056 122.820 -0.156 0.000 2.593 276 A HA 0.619 4.938 4.320 -0.003 0.000 0.290 276 A C -1.168 176.309 177.584 -0.179 0.000 1.126 276 A CA -0.063 51.789 52.037 -0.308 0.000 0.695 276 A CB 1.098 19.666 19.000 -0.721 0.000 1.290 276 A HN 0.130 nan 8.150 nan 0.000 0.414 277 S N 0.507 116.128 115.700 -0.130 0.000 2.575 277 S HA 0.703 5.171 4.470 -0.003 0.000 0.278 277 S C -1.596 172.982 174.600 -0.037 0.000 1.139 277 S CA -0.454 57.700 58.200 -0.077 0.000 0.954 277 S CB 1.607 64.771 63.200 -0.061 0.000 1.054 277 S HN 0.643 nan 8.310 nan 0.000 0.483 278 E N 2.570 122.746 120.200 -0.040 0.000 2.317 278 E HA 0.537 4.885 4.350 -0.003 0.000 0.270 278 E C -2.930 173.630 176.600 -0.065 0.000 0.885 278 E CA -2.197 54.193 56.400 -0.017 0.000 0.760 278 E CB 1.966 31.677 29.700 0.018 0.000 1.227 278 E HN 0.414 nan 8.360 nan 0.000 0.434 279 P HA 0.076 nan 4.420 nan 0.000 0.269 279 P C -0.658 176.483 177.300 -0.266 0.000 1.209 279 P CA -0.102 62.864 63.100 -0.224 0.000 0.776 279 P CB 0.564 32.103 31.700 -0.268 0.000 0.876 280 V N 2.471 122.165 119.914 -0.367 0.000 2.735 280 V HA 0.426 4.544 4.120 -0.003 0.000 0.310 280 V C -0.818 174.985 176.094 -0.485 0.000 1.061 280 V CA -0.605 61.533 62.300 -0.271 0.000 0.913 280 V CB 1.773 33.538 31.823 -0.097 0.000 1.005 280 V HN 0.538 nan 8.190 nan 0.000 0.428 281 W N 3.856 125.108 121.300 -0.079 0.000 2.433 281 W HA 0.722 5.380 4.660 -0.003 0.000 0.315 281 W C 0.006 176.309 176.519 -0.359 0.000 1.087 281 W CA -0.338 56.757 57.345 -0.416 0.000 1.205 281 W CB 0.941 29.950 29.460 -0.751 0.000 1.288 281 W HN 0.600 nan 8.180 nan 0.000 0.504 282 F N 0.081 120.192 119.950 0.269 0.000 2.681 282 F HA -0.158 4.367 4.527 -0.003 0.000 0.299 282 F C 0.859 176.744 175.800 0.143 0.000 0.676 282 F CA 0.097 58.207 58.000 0.183 0.000 1.496 282 F CB -1.877 37.205 39.000 0.138 0.000 1.827 282 F HN 0.423 nan 8.300 nan 0.000 0.328 283 G N 0.492 109.423 108.800 0.218 0.000 2.511 283 G HA2 0.495 4.453 3.960 -0.003 0.000 0.316 283 G HA3 0.495 4.453 3.960 -0.003 0.000 0.316 283 G C 0.438 175.410 174.900 0.120 0.000 1.210 283 G CA 0.115 45.298 45.100 0.140 0.000 0.969 283 G HN 0.180 nan 8.290 nan 0.000 0.492 284 D N -1.714 118.706 120.400 0.034 0.000 2.340 284 D HA 0.113 4.751 4.640 -0.003 0.000 0.220 284 D C 0.570 176.875 176.300 0.009 0.000 1.039 284 D CA -0.033 53.950 54.000 -0.030 0.000 0.866 284 D CB 0.217 40.935 40.800 -0.137 0.000 0.913 284 D HN 0.124 nan 8.370 nan 0.000 0.523 285 S N -0.359 115.351 115.700 0.017 0.000 2.569 285 S HA 0.265 4.733 4.470 -0.003 0.000 0.280 285 S C -0.325 174.256 174.600 -0.031 0.000 1.111 285 S CA -0.831 57.368 58.200 -0.002 0.000 0.887 285 S CB 2.156 65.345 63.200 -0.018 0.000 1.095 285 S HN -0.159 nan 8.310 nan 0.000 0.476 286 D N 0.835 121.200 120.400 -0.058 0.000 2.347 286 D HA 0.115 4.754 4.640 -0.003 0.000 0.213 286 D C 0.242 176.443 176.300 -0.165 0.000 0.985 286 D CA 0.789 54.711 54.000 -0.130 0.000 0.879 286 D CB 0.242 40.969 40.800 -0.120 0.000 0.919 286 D HN 0.290 nan 8.370 nan 0.000 0.526 287 R N -0.276 120.160 120.500 -0.108 0.000 2.626 287 R HA 0.694 5.032 4.340 -0.003 0.000 0.274 287 R C -1.151 175.110 176.300 -0.066 0.000 1.031 287 R CA -0.718 55.322 56.100 -0.099 0.000 0.898 287 R CB 2.376 32.627 30.300 -0.083 0.000 1.222 287 R HN -0.081 nan 8.270 nan 0.000 0.455 288 A N 1.281 124.065 122.820 -0.060 0.000 2.310 288 A HA 0.466 4.784 4.320 -0.003 0.000 0.299 288 A C -0.288 177.269 177.584 -0.045 0.000 1.147 288 A CA -0.337 51.675 52.037 -0.041 0.000 0.818 288 A CB 1.507 20.489 19.000 -0.030 0.000 1.096 288 A HN 0.486 nan 8.150 nan 0.000 0.495 289 S N 1.436 117.113 115.700 -0.037 0.000 2.438 289 S HA 0.593 5.061 4.470 -0.003 0.000 0.293 289 S C -0.565 174.011 174.600 -0.040 0.000 1.141 289 S CA -0.446 57.730 58.200 -0.039 0.000 1.080 289 S CB -0.440 62.744 63.200 -0.026 0.000 0.978 289 S HN 0.497 nan 8.310 nan 0.000 0.479 290 L N 4.561 125.749 121.223 -0.057 0.000 2.341 290 L HA 0.826 5.164 4.340 -0.003 0.000 0.278 290 L C 0.805 177.663 176.870 -0.021 0.000 1.005 290 L CA -0.597 54.204 54.840 -0.064 0.000 0.818 290 L CB 1.730 43.707 42.059 -0.137 0.000 1.259 290 L HN 0.829 nan 8.230 nan 0.000 0.418 291 G N 1.889 110.677 108.800 -0.020 0.000 3.008 291 G HA2 0.613 4.571 3.960 -0.003 0.000 0.148 291 G HA3 0.613 4.571 3.960 -0.003 0.000 0.148 291 G C -1.060 173.810 174.900 -0.050 0.000 1.184 291 G CA 0.111 45.207 45.100 -0.007 0.000 1.087 291 G HN 0.521 nan 8.290 nan 0.000 0.602 292 V N -1.389 118.500 119.914 -0.042 0.000 3.001 292 V HA 0.715 4.833 4.120 -0.003 0.000 0.314 292 V C -0.532 175.546 176.094 -0.027 0.000 1.099 292 V CA -0.018 62.256 62.300 -0.043 0.000 0.989 292 V CB 2.136 33.927 31.823 -0.054 0.000 1.040 292 V HN 0.747 nan 8.190 nan 0.000 0.434 293 D N 0.105 120.492 120.400 -0.022 0.000 2.388 293 D HA 0.277 4.915 4.640 -0.003 0.000 0.221 293 D C 0.088 176.381 176.300 -0.011 0.000 1.133 293 D CA -0.010 53.983 54.000 -0.013 0.000 0.831 293 D CB 0.225 41.020 40.800 -0.008 0.000 0.962 293 D HN 0.729 nan 8.370 nan 0.000 0.502 294 K N 0.734 121.122 120.400 -0.019 0.000 2.584 294 K HA 0.101 4.419 4.320 -0.003 0.000 0.260 294 K C -1.731 174.842 176.600 -0.046 0.000 0.949 294 K CA -0.537 55.741 56.287 -0.016 0.000 0.888 294 K CB 1.351 33.847 32.500 -0.005 0.000 1.330 294 K HN -0.185 nan 8.250 nan 0.000 0.432 295 D N 1.649 122.013 120.400 -0.061 0.000 2.506 295 D HA 0.019 4.657 4.640 -0.003 0.000 0.234 295 D C -0.222 175.922 176.300 -0.260 0.000 1.143 295 D CA 0.206 54.092 54.000 -0.190 0.000 0.871 295 D CB 0.695 41.349 40.800 -0.244 0.000 1.190 295 D HN 0.053 nan 8.370 nan 0.000 0.459 296 V N 2.943 122.639 119.914 -0.364 0.000 2.383 296 V HA 0.261 4.379 4.120 -0.003 0.000 0.275 296 V C -0.697 175.088 176.094 -0.515 0.000 1.036 296 V CA -0.455 61.650 62.300 -0.325 0.000 0.889 296 V CB 0.039 31.699 31.823 -0.271 0.000 0.985 296 V HN 0.442 nan 8.190 nan 0.000 0.459 297 Y N 5.132 125.335 120.300 -0.162 0.000 2.376 297 Y HA 0.706 5.254 4.550 -0.003 0.000 0.340 297 Y C -0.095 175.698 175.900 -0.178 0.000 0.965 297 Y CA -0.792 57.219 58.100 -0.148 0.000 1.078 297 Y CB 1.796 40.195 38.460 -0.103 0.000 1.193 297 Y HN 0.399 nan 8.280 nan 0.000 0.452 298 L N 2.922 124.121 121.223 -0.041 0.000 2.365 298 L HA 0.641 4.979 4.340 -0.003 0.000 0.273 298 L C -0.605 176.260 176.870 -0.007 0.000 1.000 298 L CA -0.897 53.892 54.840 -0.085 0.000 0.819 298 L CB 2.251 44.188 42.059 -0.203 0.000 1.284 298 L HN 0.549 nan 8.230 nan 0.000 0.418 299 T N 4.160 118.715 114.554 0.002 0.000 2.749 299 T HA 0.676 5.024 4.350 -0.003 0.000 0.287 299 T C -0.158 174.595 174.700 0.088 0.000 0.970 299 T CA -0.285 61.840 62.100 0.042 0.000 0.980 299 T CB 0.917 69.778 68.868 -0.011 0.000 0.924 299 T HN 0.512 nan 8.240 nan 0.000 0.456 300 I N 0.493 121.142 120.570 0.132 0.000 2.934 300 I HA 0.701 4.869 4.170 -0.003 0.000 0.306 300 I C -3.127 173.085 176.117 0.159 0.000 1.110 300 I CA -3.677 57.701 61.300 0.131 0.000 1.019 300 I CB 1.999 40.041 38.000 0.070 0.000 1.227 300 I HN 0.225 nan 8.210 nan 0.000 0.434 301 P HA 0.055 nan 4.420 nan 0.000 0.264 301 P C -0.847 176.419 177.300 -0.057 0.000 1.193 301 P CA -0.073 62.982 63.100 -0.074 0.000 0.763 301 P CB 0.395 32.047 31.700 -0.079 0.000 0.810 302 R N 3.079 123.511 120.500 -0.113 0.000 2.504 302 R HA 0.214 4.552 4.340 -0.003 0.000 0.291 302 R C 1.176 177.448 176.300 -0.047 0.000 0.974 302 R CA 1.474 57.536 56.100 -0.062 0.000 1.077 302 R CB -0.924 29.314 30.300 -0.104 0.000 0.926 302 R HN 0.832 nan 8.270 nan 0.000 0.407 303 G N 3.858 112.647 108.800 -0.018 0.000 2.179 303 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.220 303 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.220 303 G C 0.666 175.566 174.900 0.000 0.000 0.990 303 G CA -0.069 45.023 45.100 -0.013 0.000 0.646 303 G HN 0.597 nan 8.290 nan 0.000 0.517 304 R N -0.304 120.200 120.500 0.007 0.000 2.393 304 R HA 0.380 4.718 4.340 -0.003 0.000 0.244 304 R C 2.112 178.430 176.300 0.030 0.000 0.920 304 R CA 0.349 56.460 56.100 0.017 0.000 1.076 304 R CB -0.324 29.985 30.300 0.016 0.000 1.119 304 R HN 0.601 nan 8.270 nan 0.000 0.524 305 M N 1.639 121.257 119.600 0.030 0.000 2.149 305 M HA -0.241 4.237 4.480 -0.003 0.000 0.261 305 M C 1.974 178.299 176.300 0.042 0.000 1.064 305 M CA 1.909 57.232 55.300 0.038 0.000 1.102 305 M CB 0.012 32.633 32.600 0.034 0.000 1.369 305 M HN -0.018 nan 8.290 nan 0.000 0.408 306 K N -1.327 119.094 120.400 0.034 0.000 2.211 306 K HA -0.139 4.180 4.320 -0.003 0.000 0.203 306 K C 0.588 177.212 176.600 0.040 0.000 1.050 306 K CA 1.716 58.024 56.287 0.034 0.000 0.945 306 K CB -0.302 32.213 32.500 0.024 0.000 0.732 306 K HN 0.317 nan 8.250 nan 0.000 0.451 307 D N 0.727 121.152 120.400 0.041 0.000 2.350 307 D HA 0.026 4.665 4.640 -0.003 0.000 0.213 307 D C 0.001 176.338 176.300 0.062 0.000 1.031 307 D CA -0.054 53.972 54.000 0.044 0.000 0.861 307 D CB 0.013 40.835 40.800 0.036 0.000 0.926 307 D HN 0.102 nan 8.370 nan 0.000 0.520 308 L N 1.974 123.242 121.223 0.076 0.000 2.534 308 L HA 0.048 4.386 4.340 -0.003 0.000 0.271 308 L C 0.102 177.049 176.870 0.129 0.000 1.178 308 L CA 0.376 55.283 54.840 0.112 0.000 0.907 308 L CB 0.100 42.232 42.059 0.121 0.000 1.164 308 L HN -0.273 nan 8.230 nan 0.000 0.482 309 K N 4.856 125.338 120.400 0.137 0.000 2.259 309 K HA 0.851 5.169 4.320 -0.003 0.000 0.249 309 K C -1.045 175.646 176.600 0.152 0.000 0.942 309 K CA -0.721 55.640 56.287 0.122 0.000 0.816 309 K CB 1.997 34.542 32.500 0.076 0.000 1.155 309 K HN 0.641 nan 8.250 nan 0.000 0.428 310 A N 0.938 123.839 122.820 0.135 0.000 2.422 310 A HA 0.672 4.991 4.320 -0.003 0.000 0.302 310 A C -0.623 177.050 177.584 0.149 0.000 1.041 310 A CA -0.553 51.524 52.037 0.067 0.000 0.708 310 A CB 1.292 20.356 19.000 0.106 0.000 1.257 310 A HN 0.765 nan 8.150 nan 0.000 0.414 311 S N 0.267 116.029 115.700 0.104 0.000 2.685 311 S HA 0.921 5.389 4.470 -0.003 0.000 0.282 311 S C -0.857 173.884 174.600 0.235 0.000 1.159 311 S CA -0.526 57.758 58.200 0.139 0.000 0.833 311 S CB 1.211 64.407 63.200 -0.006 0.000 1.151 311 S HN 1.800 nan 8.310 nan 0.000 0.485 312 Y N -1.109 119.245 120.300 0.090 0.000 2.609 312 Y HA 0.863 5.411 4.550 -0.003 0.000 0.342 312 Y C -0.901 175.013 175.900 0.023 0.000 1.058 312 Y CA -1.376 56.763 58.100 0.065 0.000 1.055 312 Y CB 1.023 39.583 38.460 0.168 0.000 1.292 312 Y HN 0.877 nan 8.280 nan 0.000 0.476 313 V N 0.374 120.371 119.914 0.138 0.000 3.001 313 V HA 0.780 4.898 4.120 -0.003 0.000 0.314 313 V C -1.242 174.941 176.094 0.149 0.000 1.099 313 V CA -1.287 61.046 62.300 0.054 0.000 0.989 313 V CB 1.836 33.669 31.823 0.017 0.000 1.040 313 V HN 0.916 nan 8.190 nan 0.000 0.434 314 L N 2.094 123.377 121.223 0.099 0.000 2.362 314 L HA 0.599 4.938 4.340 -0.003 0.000 0.271 314 L C 0.786 177.688 176.870 0.053 0.000 1.002 314 L CA -0.711 54.193 54.840 0.106 0.000 0.818 314 L CB 2.121 44.255 42.059 0.125 0.000 1.298 314 L HN 0.656 nan 8.230 nan 0.000 0.420 315 N N -0.079 118.647 118.700 0.043 0.000 2.216 315 N HA -0.031 4.707 4.740 -0.003 0.000 0.183 315 N C -0.140 175.379 175.510 0.014 0.000 1.017 315 N CA 0.681 53.746 53.050 0.024 0.000 0.861 315 N CB 0.219 38.718 38.487 0.020 0.000 0.986 315 N HN 0.478 nan 8.380 nan 0.000 0.428 316 S N -1.518 114.189 115.700 0.011 0.000 2.536 316 S HA 0.253 4.722 4.470 -0.003 0.000 0.298 316 S C 0.951 175.552 174.600 0.002 0.000 1.083 316 S CA -0.772 57.424 58.200 -0.007 0.000 0.995 316 S CB 2.283 65.460 63.200 -0.039 0.000 1.058 316 S HN 0.098 nan 8.310 nan 0.000 0.488 317 S N 1.142 116.841 115.700 -0.001 0.000 2.365 317 S HA -0.118 4.350 4.470 -0.003 0.000 0.225 317 S C 0.351 174.972 174.600 0.035 0.000 1.039 317 S CA 1.473 59.683 58.200 0.017 0.000 1.033 317 S CB -0.155 63.052 63.200 0.013 0.000 0.887 317 S HN 0.734 nan 8.310 nan 0.000 0.447 318 E N -0.055 120.136 120.200 -0.015 0.000 2.266 318 E HA 0.467 4.815 4.350 -0.003 0.000 0.268 318 E C -1.321 175.205 176.600 -0.123 0.000 0.879 318 E CA -0.529 55.883 56.400 0.019 0.000 0.762 318 E CB 1.875 31.607 29.700 0.053 0.000 1.199 318 E HN 0.250 nan 8.360 nan 0.000 0.422 319 L N 2.981 124.223 121.223 0.032 0.000 2.292 319 L HA 0.354 4.692 4.340 -0.003 0.000 0.284 319 L C -0.332 176.642 176.870 0.173 0.000 1.065 319 L CA -0.255 54.596 54.840 0.017 0.000 0.806 319 L CB 0.395 42.480 42.059 0.042 0.000 1.175 319 L HN 0.480 nan 8.230 nan 0.000 0.431 320 H N 1.905 121.094 119.070 0.198 0.000 2.505 320 H HA 0.479 5.033 4.556 -0.003 0.000 0.338 320 H C -0.093 175.381 175.328 0.244 0.000 1.057 320 H CA -1.013 55.206 56.048 0.284 0.000 1.202 320 H CB 1.765 31.753 29.762 0.378 0.000 1.466 320 H HN 0.771 nan 8.280 nan 0.000 0.499 321 A N 4.856 127.914 122.820 0.396 0.000 2.462 321 A HA 0.201 4.519 4.320 -0.003 0.000 0.243 321 A C -2.187 175.553 177.584 0.260 0.000 1.076 321 A CA -1.138 51.059 52.037 0.268 0.000 0.773 321 A CB -0.219 18.922 19.000 0.235 0.000 1.010 321 A HN 0.473 nan 8.150 nan 0.000 0.493 322 P HA 0.406 nan 4.420 nan 0.000 0.285 322 P C -1.092 176.267 177.300 0.097 0.000 1.259 322 P CA -0.045 63.119 63.100 0.107 0.000 0.794 322 P CB 0.814 32.556 31.700 0.069 0.000 0.940 323 L N 3.477 124.746 121.223 0.077 0.000 2.305 323 L HA 0.317 4.655 4.340 -0.003 0.000 0.284 323 L C 0.959 177.850 176.870 0.036 0.000 1.013 323 L CA -0.780 54.095 54.840 0.057 0.000 0.819 323 L CB 1.373 43.463 42.059 0.050 0.000 1.227 323 L HN 0.260 nan 8.230 nan 0.000 0.417 324 Q N 2.381 122.199 119.800 0.030 0.000 2.382 324 Q HA 0.214 4.552 4.340 -0.003 0.000 0.229 324 Q C -0.320 175.687 176.000 0.013 0.000 1.006 324 Q CA -0.505 55.310 55.803 0.020 0.000 0.916 324 Q CB 1.361 30.110 28.738 0.019 0.000 1.235 324 Q HN 0.392 nan 8.270 nan 0.000 0.512 325 K N 1.578 121.984 120.400 0.008 0.000 2.401 325 K HA -0.064 4.254 4.320 -0.003 0.000 0.278 325 K C -0.167 176.436 176.600 0.004 0.000 1.018 325 K CA 0.058 56.348 56.287 0.004 0.000 0.981 325 K CB 0.256 32.758 32.500 0.002 0.000 0.933 325 K HN 0.500 nan 8.250 nan 0.000 0.477 326 N N 2.040 120.740 118.700 0.000 0.000 2.725 326 N HA -0.245 4.493 4.740 -0.003 0.000 0.249 326 N C -0.782 174.728 175.510 0.001 0.000 1.103 326 N CA 0.862 53.911 53.050 -0.002 0.000 0.707 326 N CB -1.070 37.416 38.487 -0.002 0.000 1.043 326 N HN 0.719 nan 8.380 nan 0.000 0.553 327 Q N 0.668 120.470 119.800 0.005 0.000 2.297 327 Q HA 0.258 4.596 4.340 -0.003 0.000 0.267 327 Q C -0.280 175.723 176.000 0.005 0.000 1.006 327 Q CA -0.110 55.698 55.803 0.009 0.000 0.896 327 Q CB 0.777 29.525 28.738 0.016 0.000 1.186 327 Q HN 0.118 nan 8.270 nan 0.000 0.392 328 V N 6.047 125.964 119.914 0.006 0.000 2.439 328 V HA 0.010 4.128 4.120 -0.003 0.000 0.271 328 V C 0.779 176.878 176.094 0.009 0.000 1.040 328 V CA 0.208 62.511 62.300 0.004 0.000 1.002 328 V CB 0.916 32.742 31.823 0.005 0.000 1.000 328 V HN 0.796 nan 8.190 nan 0.000 0.477 329 V N 2.381 122.300 119.914 0.008 0.000 3.380 329 V HA 0.843 4.961 4.120 -0.003 0.000 0.307 329 V C 0.605 176.718 176.094 0.032 0.000 1.434 329 V CA 0.620 62.930 62.300 0.017 0.000 1.075 329 V CB -0.107 31.723 31.823 0.012 0.000 0.954 329 V HN 0.985 nan 8.190 nan 0.000 0.444 330 G N -0.500 108.319 108.800 0.031 0.000 2.323 330 G HA2 0.478 4.437 3.960 -0.003 0.000 0.291 330 G HA3 0.478 4.437 3.960 -0.003 0.000 0.291 330 G C -1.167 173.757 174.900 0.039 0.000 1.278 330 G CA 0.168 45.302 45.100 0.056 0.000 0.860 330 G HN 0.212 nan 8.290 nan 0.000 0.504 331 T N 0.596 115.186 114.554 0.059 0.000 2.971 331 T HA 0.547 4.896 4.350 -0.003 0.000 0.304 331 T C -0.364 174.346 174.700 0.018 0.000 1.038 331 T CA -0.278 61.836 62.100 0.023 0.000 1.007 331 T CB 1.339 70.220 68.868 0.022 0.000 1.055 331 T HN 0.550 nan 8.240 nan 0.000 0.451 332 I N 3.498 124.013 120.570 -0.091 0.000 2.342 332 I HA 0.306 4.474 4.170 -0.003 0.000 0.291 332 I C 0.134 176.076 176.117 -0.292 0.000 1.010 332 I CA -0.537 60.599 61.300 -0.274 0.000 1.308 332 I CB 0.707 38.315 38.000 -0.652 0.000 1.400 332 I HN 0.554 nan 8.210 nan 0.000 0.488 333 N N 6.274 124.814 118.700 -0.268 0.000 2.425 333 N HA 0.450 5.188 4.740 -0.003 0.000 0.268 333 N C -1.291 174.035 175.510 -0.306 0.000 0.991 333 N CA -0.474 52.472 53.050 -0.173 0.000 0.931 333 N CB 1.076 39.532 38.487 -0.053 0.000 1.130 333 N HN 0.319 nan 8.380 nan 0.000 0.493 334 F N 1.578 121.538 119.950 0.016 0.000 2.404 334 F HA 0.335 4.860 4.527 -0.003 0.000 0.354 334 F C 0.580 176.401 175.800 0.034 0.000 1.122 334 F CA -0.664 57.353 58.000 0.028 0.000 1.080 334 F CB 1.040 40.043 39.000 0.006 0.000 1.131 334 F HN 0.181 nan 8.300 nan 0.000 0.471 335 Q N 4.267 124.174 119.800 0.178 0.000 2.345 335 Q HA 0.719 5.057 4.340 -0.003 0.000 0.268 335 Q C -1.184 174.881 176.000 0.108 0.000 1.054 335 Q CA -1.011 54.862 55.803 0.115 0.000 0.835 335 Q CB 3.322 32.103 28.738 0.070 0.000 1.339 335 Q HN 0.626 nan 8.270 nan 0.000 0.447 336 L N 1.826 123.100 121.223 0.084 0.000 2.436 336 L HA 0.270 4.608 4.340 -0.003 0.000 0.268 336 L C -0.951 175.949 176.870 0.051 0.000 0.974 336 L CA -0.580 54.301 54.840 0.067 0.000 0.826 336 L CB 1.965 44.064 42.059 0.066 0.000 1.291 336 L HN 0.734 nan 8.230 nan 0.000 0.406 337 D N 3.207 123.632 120.400 0.041 0.000 2.686 337 D HA -0.205 4.433 4.640 -0.003 0.000 0.235 337 D C 1.083 177.401 176.300 0.030 0.000 1.160 337 D CA 1.296 55.315 54.000 0.032 0.000 0.645 337 D CB -1.030 39.787 40.800 0.028 0.000 1.039 337 D HN 1.100 nan 8.370 nan 0.000 0.423 338 G N -0.336 108.483 108.800 0.032 0.000 2.189 338 G HA2 -0.395 3.563 3.960 -0.003 0.000 0.267 338 G HA3 -0.395 3.563 3.960 -0.003 0.000 0.267 338 G C 0.308 175.224 174.900 0.028 0.000 0.975 338 G CA 1.013 46.129 45.100 0.026 0.000 0.644 338 G HN 0.674 nan 8.290 nan 0.000 0.537 339 K N 0.832 121.253 120.400 0.035 0.000 2.292 339 K HA 0.561 4.879 4.320 -0.003 0.000 0.257 339 K C 0.082 176.712 176.600 0.050 0.000 0.940 339 K CA -0.409 55.900 56.287 0.037 0.000 0.811 339 K CB 0.936 33.457 32.500 0.035 0.000 1.120 339 K HN -0.000 nan 8.250 nan 0.000 0.428 340 T N 5.267 119.849 114.554 0.047 0.000 2.817 340 T HA 0.102 4.450 4.350 -0.003 0.000 0.295 340 T C 1.322 176.064 174.700 0.070 0.000 0.958 340 T CA -0.073 62.065 62.100 0.062 0.000 1.157 340 T CB -0.017 68.879 68.868 0.048 0.000 0.898 340 T HN 0.634 nan 8.240 nan 0.000 0.536 341 I N -0.483 120.143 120.570 0.094 0.000 3.526 341 I HA 0.438 4.606 4.170 -0.003 0.000 0.294 341 I C 0.377 176.547 176.117 0.088 0.000 1.229 341 I CA 0.133 61.484 61.300 0.085 0.000 1.408 341 I CB 0.356 38.408 38.000 0.086 0.000 1.127 341 I HN 0.278 nan 8.210 nan 0.000 0.439 342 E N 1.700 121.980 120.200 0.133 0.000 2.356 342 E HA 0.523 4.871 4.350 -0.003 0.000 0.275 342 E C -1.361 175.372 176.600 0.221 0.000 0.904 342 E CA -0.454 56.031 56.400 0.141 0.000 0.757 342 E CB 2.409 32.166 29.700 0.094 0.000 1.232 342 E HN 0.253 nan 8.360 nan 0.000 0.442 343 Q N 1.547 121.442 119.800 0.159 0.000 2.347 343 Q HA 0.576 4.914 4.340 -0.003 0.000 0.271 343 Q C -0.585 175.487 176.000 0.120 0.000 1.064 343 Q CA -0.992 54.891 55.803 0.133 0.000 0.800 343 Q CB 2.633 31.410 28.738 0.064 0.000 1.304 343 Q HN 0.135 nan 8.270 nan 0.000 0.438 344 R N 1.333 121.899 120.500 0.110 0.000 2.795 344 R HA 0.551 4.890 4.340 -0.003 0.000 0.275 344 R C -2.773 173.529 176.300 0.003 0.000 0.981 344 R CA -2.434 53.705 56.100 0.065 0.000 0.917 344 R CB 1.155 31.522 30.300 0.111 0.000 1.202 344 R HN 0.407 nan 8.270 nan 0.000 0.469 345 P HA 0.076 nan 4.420 nan 0.000 0.268 345 P C -0.512 176.764 177.300 -0.040 0.000 1.205 345 P CA -0.446 62.645 63.100 -0.015 0.000 0.771 345 P CB 0.471 32.166 31.700 -0.008 0.000 0.858 346 L N 5.685 126.886 121.223 -0.037 0.000 2.264 346 L HA 0.460 4.799 4.340 -0.003 0.000 0.289 346 L C -0.395 176.455 176.870 -0.034 0.000 1.044 346 L CA -0.280 54.527 54.840 -0.055 0.000 0.807 346 L CB 0.684 42.719 42.059 -0.041 0.000 1.192 346 L HN 0.218 nan 8.230 nan 0.000 0.425 347 V N 3.203 123.094 119.914 -0.039 0.000 3.001 347 V HA 0.656 4.775 4.120 -0.003 0.000 0.314 347 V C -0.560 175.520 176.094 -0.025 0.000 1.099 347 V CA -0.925 61.361 62.300 -0.023 0.000 0.989 347 V CB 1.918 33.730 31.823 -0.017 0.000 1.040 347 V HN 0.353 nan 8.190 nan 0.000 0.434 348 V N 3.863 123.768 119.914 -0.015 0.000 2.455 348 V HA 0.201 4.319 4.120 -0.003 0.000 0.273 348 V C 1.320 177.408 176.094 -0.011 0.000 1.045 348 V CA 0.024 62.317 62.300 -0.013 0.000 0.976 348 V CB 0.727 32.549 31.823 -0.003 0.000 0.993 348 V HN 0.887 nan 8.190 nan 0.000 0.475 349 L N 4.020 125.235 121.223 -0.013 0.000 2.217 349 L HA 0.008 4.347 4.340 -0.003 0.000 0.211 349 L C 0.986 177.851 176.870 -0.007 0.000 1.107 349 L CA 1.026 55.860 54.840 -0.010 0.000 0.783 349 L CB -0.140 41.913 42.059 -0.010 0.000 0.919 349 L HN 0.818 nan 8.230 nan 0.000 0.442 350 Q N -0.768 119.027 119.800 -0.007 0.000 2.284 350 Q HA 0.314 4.652 4.340 -0.003 0.000 0.269 350 Q C -0.955 175.044 176.000 -0.003 0.000 1.026 350 Q CA -0.659 55.140 55.803 -0.005 0.000 0.831 350 Q CB 1.848 30.581 28.738 -0.008 0.000 1.322 350 Q HN -0.041 nan 8.270 nan 0.000 0.419 351 E N 2.733 122.933 120.200 -0.000 0.000 2.502 351 E HA 0.046 4.394 4.350 -0.003 0.000 0.261 351 E C -0.674 175.929 176.600 0.005 0.000 0.974 351 E CA 0.473 56.876 56.400 0.005 0.000 0.936 351 E CB 0.567 30.269 29.700 0.004 0.000 0.926 351 E HN 0.496 nan 8.360 nan 0.000 0.459 352 I N 6.659 127.238 120.570 0.015 0.000 2.466 352 I HA 0.259 4.427 4.170 -0.003 0.000 0.279 352 I C -2.200 173.938 176.117 0.034 0.000 1.033 352 I CA -2.073 59.239 61.300 0.019 0.000 1.123 352 I CB 1.423 39.438 38.000 0.024 0.000 1.237 352 I HN 0.240 nan 8.210 nan 0.000 0.460 353 P HA 0.217 nan 4.420 nan 0.000 0.279 353 P C -0.434 176.894 177.300 0.046 0.000 1.276 353 P CA -0.431 62.685 63.100 0.027 0.000 0.801 353 P CB 0.782 32.482 31.700 0.001 0.000 1.127 354 E N -0.418 119.818 120.200 0.058 0.000 2.415 354 E HA 0.176 4.525 4.350 -0.003 0.000 0.262 354 E C 0.816 177.447 176.600 0.052 0.000 1.038 354 E CA 0.001 56.456 56.400 0.091 0.000 0.921 354 E CB 0.056 29.798 29.700 0.071 0.000 0.950 354 E HN 0.502 nan 8.360 nan 0.000 0.438 355 G N 2.021 110.892 108.800 0.118 0.000 2.305 355 G HA2 -0.026 3.932 3.960 -0.003 0.000 0.243 355 G HA3 -0.026 3.932 3.960 -0.003 0.000 0.243 355 G C -0.153 174.704 174.900 -0.072 0.000 1.288 355 G CA -0.130 44.997 45.100 0.045 0.000 0.901 355 G HN 0.441 nan 8.290 nan 0.000 0.516 356 N N 1.203 119.641 118.700 -0.436 0.000 2.399 356 N HA 0.646 5.384 4.740 -0.003 0.000 0.280 356 N C -1.037 174.107 175.510 -0.609 0.000 1.008 356 N CA -0.603 52.258 53.050 -0.315 0.000 0.894 356 N CB 0.936 39.312 38.487 -0.186 0.000 1.273 356 N HN 0.285 nan 8.380 nan 0.000 0.486 357 F N 0.000 119.962 119.950 0.020 0.000 2.286 357 F HA 0.000 4.525 4.527 -0.003 0.000 0.279 357 F CA 0.000 58.010 58.000 0.017 0.000 1.383 357 F CB 0.000 39.013 39.000 0.021 0.000 1.145 357 F HN 0.000 nan 8.300 nan 0.000 0.574