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 2g8z_1_A DATA FIRST_RESID 1 DATA SEQUENCE YKLIcYYTSW SQYREGDGSC FPDAIDPFLc THVIYSFANI SNNEIDTWEW DATA SEQUENCE NDVTLYDTLN TLKNRNPKLK TLLSVGGWNF GPERFSAIAS KTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKRHLT TLVKEMKAEF IREAQAGTEQ DATA SEQUENCE LLLSAAVSAG KIAIDRGYDI AQISRHLDFI SLLTYDFHGA WRQTVGHHSP DATA SEQUENCE LFAGNEDASS XRFSNADYAV SYMLRLGAPA NKLVMGIPTF GRSFTLASSK DATA SEQUENCE TDVGAPVSGP GVPGRFTKEK GILAYYEIcD FLHGATTHRF RDQQVPYATK DATA SEQUENCE GNQWVAYDDQ ESVKNKARYL KNRQLAGAMV WALDLDDFRG TFcGQNLTFP DATA SEQUENCE LTSAVKDVLA EV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.896 175.900 -0.007 0.000 1.272 1 Y CA 0.000 58.098 58.100 -0.004 0.000 1.940 1 Y CB 0.000 38.461 38.460 0.001 0.000 1.050 2 K N 2.675 123.149 120.400 0.123 0.000 2.110 2 K HA 0.662 4.986 4.320 0.007 0.000 0.263 2 K C -1.215 175.399 176.600 0.023 0.000 0.975 2 K CA -0.857 55.442 56.287 0.021 0.000 0.895 2 K CB 1.691 34.069 32.500 -0.204 0.000 1.060 2 K HN 0.527 nan 8.250 nan 0.000 0.448 3 L N 5.030 126.273 121.223 0.034 0.000 2.442 3 L HA 0.353 4.698 4.340 0.007 0.000 0.261 3 L C -1.228 175.652 176.870 0.016 0.000 1.000 3 L CA -0.724 54.132 54.840 0.028 0.000 0.882 3 L CB 0.749 42.831 42.059 0.040 0.000 1.207 3 L HN 0.570 nan 8.230 nan 0.000 0.443 4 I N 3.091 123.641 120.570 -0.033 0.000 2.352 4 I HA 0.237 4.411 4.170 0.007 0.000 0.290 4 I C -0.088 176.059 176.117 0.050 0.000 1.036 4 I CA -0.167 61.111 61.300 -0.037 0.000 1.336 4 I CB 1.044 38.972 38.000 -0.120 0.000 1.407 4 I HN 0.524 nan 8.210 nan 0.000 0.497 5 c N 6.784 125.393 118.600 0.015 0.000 2.396 5 c HA 0.487 5.061 4.570 0.007 0.000 0.321 5 c C -0.076 174.005 174.090 -0.014 0.000 1.233 5 c CA -0.878 55.478 56.329 0.044 0.000 1.440 5 c CB 0.675 43.183 42.510 -0.004 0.000 2.110 5 c HN 0.554 nan 8.230 nan 0.000 0.473 6 Y N 1.362 121.667 120.300 0.009 0.000 2.310 6 Y HA 0.464 5.018 4.550 0.006 0.000 0.326 6 Y C -0.030 175.692 175.900 -0.298 0.000 1.151 6 Y CA 0.086 58.106 58.100 -0.133 0.000 1.195 6 Y CB 0.692 39.018 38.460 -0.223 0.000 1.210 6 Y HN 0.712 nan 8.280 nan 0.000 0.483 7 Y N 2.545 122.676 120.300 -0.281 0.000 2.391 7 Y HA 0.484 5.038 4.550 0.007 0.000 0.341 7 Y C -0.565 174.919 175.900 -0.694 0.000 0.965 7 Y CA -1.208 56.634 58.100 -0.429 0.000 1.067 7 Y CB 1.344 39.642 38.460 -0.271 0.000 1.199 7 Y HN 0.635 nan 8.280 nan 0.000 0.450 8 T N 1.617 115.093 114.554 -1.796 0.000 2.829 8 T HA 0.304 4.658 4.350 0.007 0.000 0.282 8 T C 0.806 174.362 174.700 -1.906 0.000 0.990 8 T CA -0.373 60.590 62.100 -1.894 0.000 1.028 8 T CB 1.647 69.128 68.868 -2.312 0.000 0.951 8 T HN 0.700 nan 8.240 nan 0.000 0.460 9 S N 1.374 116.298 115.700 -1.294 0.000 2.359 9 S HA -0.116 4.359 4.470 0.007 0.000 0.223 9 S C 1.466 175.797 174.600 -0.449 0.000 1.039 9 S CA 2.036 59.832 58.200 -0.673 0.000 1.042 9 S CB -0.587 62.495 63.200 -0.196 0.000 0.915 9 S HN 1.009 nan 8.310 nan 0.000 0.439 10 W N 2.293 123.425 121.300 -0.279 0.000 2.721 10 W HA 0.071 4.735 4.660 0.007 0.000 0.245 10 W C 1.799 178.230 176.519 -0.147 0.000 1.276 10 W CA 0.650 57.963 57.345 -0.053 0.000 1.342 10 W CB -0.974 28.541 29.460 0.092 0.000 1.135 10 W HN 0.287 nan 8.180 nan 0.000 0.654 11 S N 0.937 116.247 115.700 -0.650 0.000 2.561 11 S HA -0.223 4.251 4.470 0.007 0.000 0.225 11 S C 1.746 176.111 174.600 -0.391 0.000 0.977 11 S CA 0.896 58.811 58.200 -0.475 0.000 0.926 11 S CB -0.766 62.042 63.200 -0.653 0.000 0.769 11 S HN 0.729 nan 8.310 nan 0.000 0.533 12 Q N -0.250 119.180 119.800 -0.617 0.000 2.297 12 Q HA -0.047 4.298 4.340 0.007 0.000 0.204 12 Q C 0.961 176.721 176.000 -0.400 0.000 0.962 12 Q CA 0.971 56.265 55.803 -0.847 0.000 0.879 12 Q CB -0.722 27.257 28.738 -1.265 0.000 0.947 12 Q HN 0.677 nan 8.270 nan 0.000 0.462 13 Y N 1.127 121.442 120.300 0.026 0.000 2.511 13 Y HA 0.240 4.794 4.550 0.007 0.000 0.279 13 Y C 0.541 176.539 175.900 0.164 0.000 1.157 13 Y CA -0.441 57.744 58.100 0.142 0.000 1.300 13 Y CB 0.080 38.648 38.460 0.180 0.000 1.052 13 Y HN -0.032 nan 8.280 nan 0.000 0.529 14 R N 2.157 122.817 120.500 0.266 0.000 2.643 14 R HA 0.083 4.427 4.340 0.007 0.000 0.270 14 R C 0.415 176.899 176.300 0.308 0.000 1.061 14 R CA -0.161 56.114 56.100 0.292 0.000 1.107 14 R CB 0.308 30.784 30.300 0.292 0.000 0.999 14 R HN 0.376 nan 8.270 nan 0.000 0.460 15 E N 1.010 121.408 120.200 0.330 0.000 2.319 15 E HA 0.410 4.765 4.350 0.007 0.000 0.268 15 E C 0.563 177.407 176.600 0.405 0.000 1.050 15 E CA -0.410 56.176 56.400 0.310 0.000 0.878 15 E CB 0.930 30.761 29.700 0.217 0.000 1.066 15 E HN 0.681 nan 8.360 nan 0.000 0.406 16 G N 2.884 111.870 108.800 0.311 0.000 2.574 16 G HA2 -0.373 3.591 3.960 0.007 0.000 0.286 16 G HA3 -0.373 3.591 3.960 0.007 0.000 0.286 16 G C 0.393 175.441 174.900 0.246 0.000 1.212 16 G CA 0.308 45.590 45.100 0.303 0.000 0.979 16 G HN 0.741 nan 8.290 nan 0.000 0.557 17 D N 1.345 121.851 120.400 0.176 0.000 2.263 17 D HA -0.030 4.615 4.640 0.007 0.000 0.208 17 D C 2.430 178.639 176.300 -0.151 0.000 0.971 17 D CA 1.624 55.608 54.000 -0.025 0.000 0.867 17 D CB -0.767 39.969 40.800 -0.107 0.000 0.929 17 D HN 0.659 nan 8.370 nan 0.000 0.492 18 G N 0.414 109.128 108.800 -0.143 0.000 2.471 18 G HA2 -0.167 3.797 3.960 0.007 0.000 0.219 18 G HA3 -0.167 3.797 3.960 0.007 0.000 0.219 18 G C 0.887 175.946 174.900 0.265 0.000 1.125 18 G CA 0.132 45.207 45.100 -0.040 0.000 0.775 18 G HN 0.219 nan 8.290 nan 0.000 0.548 19 S N -0.504 115.353 115.700 0.261 0.000 2.544 19 S HA 0.225 4.699 4.470 0.007 0.000 0.290 19 S C -0.209 174.507 174.600 0.193 0.000 1.276 19 S CA -0.373 57.956 58.200 0.215 0.000 1.075 19 S CB -0.031 63.344 63.200 0.292 0.000 0.849 19 S HN 0.341 nan 8.310 nan 0.000 0.494 20 C N 7.408 126.641 119.300 -0.112 0.000 2.397 20 C HA 0.759 5.223 4.460 0.007 0.000 0.325 20 C C -1.082 173.748 174.990 -0.267 0.000 1.201 20 C CA -0.858 57.962 59.018 -0.330 0.000 1.377 20 C CB -0.703 26.526 27.740 -0.852 0.000 2.038 20 C HN 0.849 nan 8.230 nan 0.000 0.457 21 F N 5.369 125.245 119.950 -0.123 0.000 2.523 21 F HA 0.492 5.024 4.527 0.007 0.000 0.329 21 F C -1.374 174.238 175.800 -0.313 0.000 1.061 21 F CA -1.983 55.943 58.000 -0.124 0.000 0.967 21 F CB 1.175 40.127 39.000 -0.079 0.000 1.218 21 F HN 0.364 nan 8.300 nan 0.000 0.480 22 P HA -0.202 nan 4.420 nan 0.000 0.217 22 P C 0.707 177.884 177.300 -0.206 0.000 1.148 22 P CA 1.605 64.412 63.100 -0.488 0.000 0.834 22 P CB -0.003 31.482 31.700 -0.358 0.000 0.783 23 D N -1.023 119.335 120.400 -0.070 0.000 2.378 23 D HA -0.030 4.614 4.640 0.007 0.000 0.227 23 D C 1.425 177.737 176.300 0.020 0.000 1.012 23 D CA 0.632 54.612 54.000 -0.032 0.000 0.905 23 D CB -0.924 39.863 40.800 -0.022 0.000 0.895 23 D HN 0.134 nan 8.370 nan 0.000 0.532 24 A N 0.289 123.132 122.820 0.039 0.000 2.218 24 A HA 0.200 4.524 4.320 0.007 0.000 0.209 24 A C 1.148 178.877 177.584 0.242 0.000 1.168 24 A CA -0.278 51.844 52.037 0.141 0.000 0.804 24 A CB -0.352 18.732 19.000 0.141 0.000 0.834 24 A HN 0.251 nan 8.150 nan 0.000 0.482 25 I N 1.454 122.088 120.570 0.107 0.000 2.396 25 I HA 0.050 4.224 4.170 0.007 0.000 0.289 25 I C -0.213 175.908 176.117 0.007 0.000 1.056 25 I CA -0.512 60.825 61.300 0.061 0.000 1.365 25 I CB 0.713 38.645 38.000 -0.114 0.000 1.407 25 I HN 0.096 nan 8.210 nan 0.000 0.509 26 D N 9.737 130.133 120.400 -0.007 0.000 2.382 26 D HA 0.071 4.715 4.640 0.007 0.000 0.259 26 D C -1.609 174.630 176.300 -0.102 0.000 1.224 26 D CA -1.929 52.080 54.000 0.014 0.000 0.894 26 D CB 1.347 42.181 40.800 0.057 0.000 1.127 26 D HN 0.218 nan 8.370 nan 0.000 0.487 27 P HA -0.074 nan 4.420 nan 0.000 0.219 27 P C 0.482 177.447 177.300 -0.558 0.000 1.146 27 P CA 0.977 63.836 63.100 -0.401 0.000 0.808 27 P CB 0.018 31.375 31.700 -0.572 0.000 0.779 28 F N -2.621 117.294 119.950 -0.059 0.000 2.695 28 F HA 0.193 4.724 4.527 0.006 0.000 0.303 28 F C 1.792 177.556 175.800 -0.059 0.000 1.091 28 F CA -0.252 57.718 58.000 -0.051 0.000 1.300 28 F CB -0.526 38.456 39.000 -0.029 0.000 1.071 28 F HN -0.180 nan 8.300 nan 0.000 0.578 29 L N -0.257 120.974 121.223 0.013 0.000 2.007 29 L HA 0.012 4.356 4.340 0.007 0.000 0.205 29 L C 0.889 177.728 176.870 -0.052 0.000 1.073 29 L CA 1.411 56.220 54.840 -0.051 0.000 0.744 29 L CB -0.224 41.698 42.059 -0.229 0.000 0.898 29 L HN 0.065 nan 8.230 nan 0.000 0.435 30 c N -1.447 117.099 118.600 -0.090 0.000 2.407 30 c HA 0.488 5.062 4.570 0.007 0.000 0.366 30 c C 1.978 176.043 174.090 -0.041 0.000 1.213 30 c CA 0.034 56.333 56.329 -0.050 0.000 2.011 30 c CB 1.245 43.718 42.510 -0.062 0.000 2.306 30 c HN 0.614 nan 8.230 nan 0.000 0.527 31 T N -2.178 112.384 114.554 0.013 0.000 3.044 31 T HA 0.092 4.446 4.350 0.007 0.000 0.255 31 T C 0.106 174.689 174.700 -0.195 0.000 1.073 31 T CA 0.956 63.037 62.100 -0.031 0.000 1.125 31 T CB -0.208 68.720 68.868 0.101 0.000 0.908 31 T HN 0.789 nan 8.240 nan 0.000 0.480 32 H N -0.288 118.737 119.070 -0.074 0.000 2.759 32 H HA 0.713 5.273 4.556 0.007 0.000 0.354 32 H C -1.402 173.892 175.328 -0.056 0.000 1.074 32 H CA -0.776 55.242 56.048 -0.051 0.000 1.226 32 H CB 2.107 31.840 29.762 -0.049 0.000 1.648 32 H HN 0.029 nan 8.280 nan 0.000 0.529 33 V N 4.648 124.599 119.914 0.061 0.000 2.448 33 V HA 0.383 4.507 4.120 0.007 0.000 0.295 33 V C -0.111 176.016 176.094 0.055 0.000 1.025 33 V CA -0.599 61.714 62.300 0.021 0.000 0.859 33 V CB 1.550 33.367 31.823 -0.009 0.000 0.988 33 V HN 0.638 nan 8.190 nan 0.000 0.431 34 I N 4.570 125.110 120.570 -0.050 0.000 2.362 34 I HA 0.364 4.538 4.170 0.007 0.000 0.289 34 I C -0.981 175.161 176.117 0.041 0.000 0.994 34 I CA -0.733 60.520 61.300 -0.080 0.000 1.158 34 I CB 1.478 39.184 38.000 -0.490 0.000 1.315 34 I HN 0.592 nan 8.210 nan 0.000 0.451 35 Y N 6.253 126.574 120.300 0.034 0.000 2.365 35 Y HA 0.322 4.876 4.550 0.007 0.000 0.340 35 Y C 0.077 175.953 175.900 -0.040 0.000 1.016 35 Y CA -0.234 57.919 58.100 0.088 0.000 1.196 35 Y CB 0.902 39.500 38.460 0.229 0.000 1.167 35 Y HN 0.586 nan 8.280 nan 0.000 0.509 36 S N 5.915 121.320 115.700 -0.492 0.000 2.482 36 S HA 0.716 5.190 4.470 0.007 0.000 0.303 36 S C -1.295 172.952 174.600 -0.589 0.000 1.091 36 S CA -0.726 57.031 58.200 -0.739 0.000 1.057 36 S CB 1.386 63.624 63.200 -1.602 0.000 1.031 36 S HN 0.471 nan 8.310 nan 0.000 0.485 37 F N 0.523 120.479 119.950 0.011 0.000 2.588 37 F HA 0.759 5.290 4.527 0.007 0.000 0.314 37 F C 0.482 176.445 175.800 0.272 0.000 1.069 37 F CA -0.880 57.184 58.000 0.107 0.000 0.931 37 F CB 1.718 40.700 39.000 -0.030 0.000 1.260 37 F HN 0.820 nan 8.300 nan 0.000 0.465 38 A N 1.552 124.687 122.820 0.526 0.000 2.257 38 A HA 0.615 4.939 4.320 0.007 0.000 0.289 38 A C -0.563 177.377 177.584 0.594 0.000 1.095 38 A CA -0.287 52.066 52.037 0.526 0.000 0.836 38 A CB 0.627 19.830 19.000 0.338 0.000 1.111 38 A HN 0.750 nan 8.150 nan 0.000 0.497 39 N N -1.306 117.697 118.700 0.505 0.000 2.619 39 N HA 0.665 5.409 4.740 0.007 0.000 0.294 39 N C -1.337 174.261 175.510 0.146 0.000 1.279 39 N CA -0.571 52.726 53.050 0.411 0.000 0.867 39 N CB 1.064 39.648 38.487 0.161 0.000 1.329 39 N HN 0.473 nan 8.380 nan 0.000 0.557 40 I N 0.642 121.283 120.570 0.118 0.000 2.447 40 I HA 0.324 4.498 4.170 0.007 0.000 0.287 40 I C -0.784 175.289 176.117 -0.074 0.000 1.023 40 I CA -0.499 60.774 61.300 -0.045 0.000 1.083 40 I CB 1.807 39.667 38.000 -0.233 0.000 1.245 40 I HN 0.282 nan 8.210 nan 0.000 0.434 41 S N 4.209 119.869 115.700 -0.067 0.000 2.557 41 S HA 0.366 4.840 4.470 0.007 0.000 0.291 41 S C 0.003 174.572 174.600 -0.051 0.000 1.116 41 S CA -0.667 57.489 58.200 -0.073 0.000 0.992 41 S CB 1.453 64.619 63.200 -0.057 0.000 1.028 41 S HN 0.817 nan 8.310 nan 0.000 0.484 42 N N 2.907 121.571 118.700 -0.060 0.000 2.727 42 N HA -0.194 4.550 4.740 0.007 0.000 0.249 42 N C -0.521 174.974 175.510 -0.024 0.000 1.048 42 N CA 0.274 53.300 53.050 -0.040 0.000 0.714 42 N CB -0.995 37.480 38.487 -0.020 0.000 0.959 42 N HN 0.694 nan 8.380 nan 0.000 0.544 43 N N -1.226 117.445 118.700 -0.047 0.000 2.708 43 N HA -0.185 4.559 4.740 0.007 0.000 0.251 43 N C -0.857 174.706 175.510 0.088 0.000 1.123 43 N CA 1.555 54.591 53.050 -0.023 0.000 0.739 43 N CB -0.758 37.724 38.487 -0.008 0.000 1.113 43 N HN 0.706 nan 8.380 nan 0.000 0.561 44 E N -0.086 120.156 120.200 0.070 0.000 2.288 44 E HA 0.446 4.801 4.350 0.007 0.000 0.268 44 E C 0.114 176.759 176.600 0.075 0.000 0.885 44 E CA -0.899 55.569 56.400 0.113 0.000 0.767 44 E CB 2.311 32.036 29.700 0.041 0.000 1.220 44 E HN 0.180 nan 8.360 nan 0.000 0.427 45 I N 1.762 122.377 120.570 0.076 0.000 2.813 45 I HA 0.006 4.180 4.170 0.007 0.000 0.287 45 I C -0.402 175.457 176.117 -0.431 0.000 1.196 45 I CA 0.945 62.190 61.300 -0.093 0.000 1.421 45 I CB 0.410 38.304 38.000 -0.176 0.000 1.365 45 I HN 0.528 nan 8.210 nan 0.000 0.591 46 D N 3.216 123.422 120.400 -0.323 0.000 2.639 46 D HA 0.294 4.938 4.640 0.007 0.000 0.271 46 D C -0.973 175.410 176.300 0.139 0.000 1.254 46 D CA -0.144 53.749 54.000 -0.179 0.000 0.810 46 D CB 1.619 42.406 40.800 -0.022 0.000 1.351 46 D HN 0.626 nan 8.370 nan 0.000 0.427 47 T N -1.627 113.128 114.554 0.335 0.000 2.766 47 T HA 0.140 4.494 4.350 0.007 0.000 0.295 47 T C 0.426 175.356 174.700 0.384 0.000 1.024 47 T CA -0.284 62.068 62.100 0.419 0.000 1.018 47 T CB 1.051 70.083 68.868 0.274 0.000 1.002 47 T HN 0.526 nan 8.240 nan 0.000 0.532 48 W N 0.158 121.611 121.300 0.256 0.000 3.517 48 W HA 0.259 4.924 4.660 0.008 0.000 0.234 48 W C 0.082 176.747 176.519 0.244 0.000 0.972 48 W CA 0.114 57.611 57.345 0.255 0.000 2.002 48 W CB 0.109 29.764 29.460 0.325 0.000 1.018 48 W HN 0.593 nan 8.180 nan 0.000 0.712 49 E N 1.773 122.353 120.200 0.633 0.000 2.349 49 E HA -0.003 4.351 4.350 0.007 0.000 0.265 49 E C 1.420 178.189 176.600 0.283 0.000 1.064 49 E CA -0.113 56.584 56.400 0.495 0.000 0.886 49 E CB 0.160 30.091 29.700 0.385 0.000 1.036 49 E HN 0.311 nan 8.360 nan 0.000 0.413 50 W N 3.716 125.160 121.300 0.241 0.000 2.342 50 W HA -0.172 4.492 4.660 0.007 0.000 0.297 50 W C 0.613 177.208 176.519 0.126 0.000 1.213 50 W CA 1.252 58.694 57.345 0.161 0.000 1.251 50 W CB -0.701 28.851 29.460 0.154 0.000 1.136 50 W HN 0.388 nan 8.180 nan 0.000 0.526 51 N N 0.722 118.826 118.700 -0.993 0.000 2.251 51 N HA -0.060 4.685 4.740 0.007 0.000 0.217 51 N C 0.563 175.785 175.510 -0.480 0.000 1.124 51 N CA 0.326 52.830 53.050 -0.910 0.000 0.843 51 N CB -0.749 36.855 38.487 -1.471 0.000 1.024 51 N HN -0.084 nan 8.380 nan 0.000 0.501 52 D N 0.860 121.045 120.400 -0.359 0.000 2.116 52 D HA -0.170 4.474 4.640 0.007 0.000 0.193 52 D C 2.055 177.765 176.300 -0.983 0.000 0.998 52 D CA 1.587 55.263 54.000 -0.540 0.000 0.836 52 D CB -0.120 40.396 40.800 -0.473 0.000 0.951 52 D HN 0.278 nan 8.370 nan 0.000 0.449 53 V N -0.496 118.976 119.914 -0.738 0.000 2.720 53 V HA -0.175 3.950 4.120 0.007 0.000 0.256 53 V C 1.917 177.834 176.094 -0.295 0.000 1.082 53 V CA 2.105 64.057 62.300 -0.580 0.000 1.101 53 V CB -0.648 31.053 31.823 -0.204 0.000 0.693 53 V HN 0.046 nan 8.190 nan 0.000 0.479 54 T N 0.999 115.391 114.554 -0.269 0.000 2.851 54 T HA 0.150 4.505 4.350 0.007 0.000 0.262 54 T C 1.825 176.442 174.700 -0.137 0.000 1.043 54 T CA 1.697 63.699 62.100 -0.163 0.000 1.140 54 T CB -0.208 68.564 68.868 -0.160 0.000 0.872 54 T HN 0.437 nan 8.240 nan 0.000 0.446 55 L N -0.092 121.029 121.223 -0.170 0.000 2.156 55 L HA -0.049 4.295 4.340 0.007 0.000 0.208 55 L C 2.455 179.280 176.870 -0.075 0.000 1.095 55 L CA 1.309 56.118 54.840 -0.051 0.000 0.770 55 L CB -0.726 41.394 42.059 0.101 0.000 0.914 55 L HN 0.276 nan 8.230 nan 0.000 0.439 56 Y N 0.588 120.699 120.300 -0.316 0.000 2.128 56 Y HA -0.292 4.262 4.550 0.007 0.000 0.284 56 Y C 2.514 178.221 175.900 -0.323 0.000 1.154 56 Y CA 1.302 59.167 58.100 -0.391 0.000 1.149 56 Y CB -0.984 37.263 38.460 -0.356 0.000 0.976 56 Y HN 0.286 nan 8.280 nan 0.000 0.505 57 D N -0.822 119.550 120.400 -0.047 0.000 2.117 57 D HA -0.143 4.502 4.640 0.007 0.000 0.197 57 D C 1.950 178.189 176.300 -0.102 0.000 0.987 57 D CA 1.990 55.939 54.000 -0.084 0.000 0.829 57 D CB -0.041 40.725 40.800 -0.056 0.000 0.961 57 D HN 0.238 nan 8.370 nan 0.000 0.460 58 T N 0.230 114.734 114.554 -0.083 0.000 2.708 58 T HA -0.146 4.208 4.350 0.007 0.000 0.266 58 T C 1.820 176.456 174.700 -0.107 0.000 1.037 58 T CA 1.121 63.174 62.100 -0.079 0.000 1.146 58 T CB -0.418 68.423 68.868 -0.045 0.000 0.865 58 T HN 0.126 nan 8.240 nan 0.000 0.435 59 L N 1.755 122.907 121.223 -0.117 0.000 1.994 59 L HA -0.034 4.310 4.340 0.007 0.000 0.208 59 L C 1.768 178.535 176.870 -0.172 0.000 1.071 59 L CA 1.872 56.629 54.840 -0.138 0.000 0.745 59 L CB -0.852 41.164 42.059 -0.073 0.000 0.892 59 L HN 0.208 nan 8.230 nan 0.000 0.431 60 N N -1.437 117.124 118.700 -0.231 0.000 2.520 60 N HA -0.139 4.605 4.740 0.007 0.000 0.185 60 N C 1.331 176.728 175.510 -0.188 0.000 1.068 60 N CA 1.035 53.929 53.050 -0.259 0.000 0.911 60 N CB -0.098 38.162 38.487 -0.377 0.000 0.961 60 N HN 0.637 nan 8.380 nan 0.000 0.446 61 T N -1.424 113.039 114.554 -0.152 0.000 3.055 61 T HA 0.056 4.410 4.350 0.007 0.000 0.265 61 T C 1.656 176.281 174.700 -0.125 0.000 1.111 61 T CA 0.307 62.333 62.100 -0.123 0.000 1.118 61 T CB -0.241 68.569 68.868 -0.096 0.000 0.909 61 T HN 0.146 nan 8.240 nan 0.000 0.501 62 L N 0.108 121.244 121.223 -0.145 0.000 2.265 62 L HA 0.002 4.346 4.340 0.007 0.000 0.215 62 L C 2.593 179.346 176.870 -0.195 0.000 1.117 62 L CA 1.195 55.936 54.840 -0.166 0.000 0.782 62 L CB -0.483 41.467 42.059 -0.182 0.000 0.914 62 L HN 0.274 nan 8.230 nan 0.000 0.441 63 K N -0.245 120.049 120.400 -0.176 0.000 2.439 63 K HA -0.060 4.264 4.320 0.007 0.000 0.197 63 K C 1.586 178.105 176.600 -0.135 0.000 1.041 63 K CA 0.397 56.583 56.287 -0.169 0.000 0.970 63 K CB -0.048 32.359 32.500 -0.155 0.000 0.773 63 K HN 0.257 nan 8.250 nan 0.000 0.479 64 N N 0.699 119.329 118.700 -0.116 0.000 2.354 64 N HA -0.052 4.692 4.740 0.007 0.000 0.179 64 N C 1.295 176.767 175.510 -0.062 0.000 1.021 64 N CA 0.845 53.848 53.050 -0.079 0.000 0.887 64 N CB 0.212 38.660 38.487 -0.065 0.000 0.974 64 N HN 0.223 nan 8.380 nan 0.000 0.437 65 R N -0.222 120.221 120.500 -0.095 0.000 2.128 65 R HA 0.116 4.461 4.340 0.007 0.000 0.211 65 R C 0.094 176.328 176.300 -0.109 0.000 1.067 65 R CA 0.309 56.377 56.100 -0.054 0.000 1.010 65 R CB -0.006 30.259 30.300 -0.057 0.000 0.922 65 R HN 0.033 nan 8.270 nan 0.000 0.457 66 N N 1.090 119.593 118.700 -0.329 0.000 2.746 66 N HA 0.193 4.937 4.740 0.007 0.000 0.250 66 N C -2.350 173.037 175.510 -0.206 0.000 1.146 66 N CA -2.297 50.518 53.050 -0.393 0.000 0.828 66 N CB 1.621 39.543 38.487 -0.941 0.000 1.158 66 N HN -0.257 nan 8.380 nan 0.000 0.519 67 P HA -0.130 nan 4.420 nan 0.000 0.220 67 P C 0.591 177.841 177.300 -0.084 0.000 1.144 67 P CA 1.234 64.288 63.100 -0.076 0.000 0.800 67 P CB 0.345 32.025 31.700 -0.034 0.000 0.772 68 K N -1.377 118.974 120.400 -0.081 0.000 2.400 68 K HA 0.086 4.410 4.320 0.007 0.000 0.194 68 K C 0.956 177.467 176.600 -0.148 0.000 1.033 68 K CA 0.007 56.242 56.287 -0.086 0.000 1.021 68 K CB -0.200 32.273 32.500 -0.044 0.000 0.808 68 K HN 0.269 nan 8.250 nan 0.000 0.505 69 L N 2.706 123.820 121.223 -0.183 0.000 2.499 69 L HA -0.008 4.336 4.340 0.007 0.000 0.273 69 L C -0.112 176.631 176.870 -0.212 0.000 1.195 69 L CA 0.626 55.333 54.840 -0.222 0.000 0.882 69 L CB 0.426 42.341 42.059 -0.239 0.000 1.133 69 L HN -0.041 nan 8.230 nan 0.000 0.483 70 K N 2.931 123.165 120.400 -0.275 0.000 2.207 70 K HA 0.503 4.827 4.320 0.007 0.000 0.255 70 K C -0.323 176.242 176.600 -0.059 0.000 0.941 70 K CA -0.499 55.676 56.287 -0.188 0.000 0.825 70 K CB 2.112 34.444 32.500 -0.281 0.000 1.119 70 K HN 0.675 nan 8.250 nan 0.000 0.430 71 T N -0.572 114.005 114.554 0.038 0.000 2.908 71 T HA 0.784 5.138 4.350 0.007 0.000 0.290 71 T C -0.411 174.470 174.700 0.303 0.000 1.034 71 T CA -0.842 61.352 62.100 0.156 0.000 1.010 71 T CB 1.148 70.077 68.868 0.101 0.000 1.068 71 T HN 0.222 nan 8.240 nan 0.000 0.481 72 L N 1.305 122.712 121.223 0.306 0.000 2.376 72 L HA 0.733 5.078 4.340 0.007 0.000 0.258 72 L C -1.232 175.574 176.870 -0.106 0.000 1.013 72 L CA -0.980 53.956 54.840 0.159 0.000 0.822 72 L CB 2.171 44.312 42.059 0.137 0.000 1.388 72 L HN 0.726 nan 8.230 nan 0.000 0.413 73 L N 0.640 121.613 121.223 -0.416 0.000 2.322 73 L HA 0.709 5.053 4.340 0.007 0.000 0.281 73 L C -0.268 176.558 176.870 -0.074 0.000 1.014 73 L CA 0.160 54.676 54.840 -0.540 0.000 0.815 73 L CB 1.777 43.224 42.059 -1.020 0.000 1.247 73 L HN 0.559 nan 8.230 nan 0.000 0.421 74 S N 4.118 119.882 115.700 0.106 0.000 2.457 74 S HA 0.731 5.205 4.470 0.007 0.000 0.289 74 S C -0.640 174.183 174.600 0.372 0.000 1.163 74 S CA -0.642 57.732 58.200 0.291 0.000 1.078 74 S CB 0.581 64.060 63.200 0.465 0.000 0.987 74 S HN 0.538 nan 8.310 nan 0.000 0.482 75 V N 3.522 123.612 119.914 0.294 0.000 2.532 75 V HA 0.986 5.111 4.120 0.007 0.000 0.295 75 V C 1.177 177.290 176.094 0.031 0.000 1.041 75 V CA 0.150 62.557 62.300 0.177 0.000 0.926 75 V CB 0.197 32.101 31.823 0.135 0.000 0.992 75 V HN 1.290 nan 8.190 nan 0.000 0.457 76 G N 1.910 110.509 108.800 -0.335 0.000 2.659 76 G HA2 0.474 4.438 3.960 0.007 0.000 0.214 76 G HA3 0.474 4.438 3.960 0.007 0.000 0.214 76 G C 0.504 174.979 174.900 -0.708 0.000 1.191 76 G CA 0.059 44.785 45.100 -0.623 0.000 1.141 76 G HN 2.824 nan 8.290 nan 0.000 0.581 77 G N -2.411 105.751 108.800 -1.063 0.000 2.631 77 G HA2 0.024 3.989 3.960 0.007 0.000 0.504 77 G HA3 0.024 3.989 3.960 0.007 0.000 0.504 77 G C 0.782 175.155 174.900 -0.879 0.000 1.306 77 G CA 0.572 44.581 45.100 -1.818 0.000 0.897 77 G HN 1.333 nan 8.290 nan 0.000 0.520 78 W N -0.015 121.001 121.300 -0.474 0.000 2.379 78 W HA -0.059 4.604 4.660 0.006 0.000 0.307 78 W C 2.276 178.720 176.519 -0.126 0.000 1.200 78 W CA 1.496 58.695 57.345 -0.245 0.000 1.297 78 W CB -0.496 28.835 29.460 -0.215 0.000 1.140 78 W HN 0.577 nan 8.180 nan 0.000 0.507 79 N N -0.217 118.572 118.700 0.148 0.000 2.567 79 N HA -0.072 4.673 4.740 0.007 0.000 0.195 79 N C -0.526 175.159 175.510 0.293 0.000 1.242 79 N CA 0.351 53.508 53.050 0.179 0.000 0.884 79 N CB -0.504 38.089 38.487 0.178 0.000 1.007 79 N HN -0.144 nan 8.380 nan 0.000 0.450 80 F N 0.543 120.529 119.950 0.060 0.000 2.402 80 F HA 0.472 5.004 4.527 0.007 0.000 0.355 80 F C 0.824 176.602 175.800 -0.036 0.000 1.123 80 F CA -1.280 56.749 58.000 0.049 0.000 1.021 80 F CB 0.614 39.612 39.000 -0.003 0.000 1.160 80 F HN -0.120 nan 8.300 nan 0.000 0.451 81 G N 6.836 115.467 108.800 -0.280 0.000 2.272 81 G HA2 0.165 4.129 3.960 0.007 0.000 0.247 81 G HA3 0.165 4.129 3.960 0.007 0.000 0.247 81 G C -2.064 172.835 174.900 -0.002 0.000 1.272 81 G CA -0.918 44.094 45.100 -0.146 0.000 0.921 81 G HN 0.565 nan 8.290 nan 0.000 0.495 82 P HA -0.090 nan 4.420 nan 0.000 0.218 82 P C 1.413 178.817 177.300 0.173 0.000 1.148 82 P CA 1.116 64.355 63.100 0.231 0.000 0.822 82 P CB 0.304 32.144 31.700 0.234 0.000 0.784 83 E N -0.267 119.973 120.200 0.065 0.000 2.110 83 E HA -0.163 4.191 4.350 0.007 0.000 0.193 83 E C 2.000 178.565 176.600 -0.059 0.000 0.988 83 E CA 1.065 57.477 56.400 0.020 0.000 0.804 83 E CB -0.772 28.915 29.700 -0.023 0.000 0.745 83 E HN 0.240 nan 8.360 nan 0.000 0.458 84 R N -0.403 120.003 120.500 -0.157 0.000 2.081 84 R HA -0.095 4.249 4.340 0.007 0.000 0.235 84 R C 2.066 178.235 176.300 -0.218 0.000 1.131 84 R CA 1.271 57.207 56.100 -0.274 0.000 0.960 84 R CB -0.431 29.497 30.300 -0.619 0.000 0.856 84 R HN 0.152 nan 8.270 nan 0.000 0.436 85 F N 0.886 120.703 119.950 -0.221 0.000 2.171 85 F HA -0.173 4.358 4.527 0.008 0.000 0.300 85 F C 2.693 178.061 175.800 -0.720 0.000 1.090 85 F CA 1.230 58.843 58.000 -0.645 0.000 1.293 85 F CB -0.510 37.668 39.000 -1.370 0.000 1.013 85 F HN -0.075 nan 8.300 nan 0.000 0.486 86 S N -0.405 115.207 115.700 -0.146 0.000 2.353 86 S HA -0.240 4.234 4.470 0.007 0.000 0.222 86 S C 2.354 176.934 174.600 -0.034 0.000 1.035 86 S CA 1.385 59.628 58.200 0.070 0.000 1.025 86 S CB -0.704 62.602 63.200 0.176 0.000 0.902 86 S HN 0.387 nan 8.310 nan 0.000 0.440 87 A N 0.816 123.587 122.820 -0.083 0.000 1.933 87 A HA -0.044 4.281 4.320 0.007 0.000 0.218 87 A C 2.076 179.581 177.584 -0.131 0.000 1.175 87 A CA 1.458 53.433 52.037 -0.104 0.000 0.628 87 A CB -0.694 18.240 19.000 -0.111 0.000 0.814 87 A HN 0.596 nan 8.150 nan 0.000 0.444 88 I N -0.484 119.980 120.570 -0.176 0.000 2.252 88 I HA -0.241 3.933 4.170 0.007 0.000 0.245 88 I C 2.855 178.909 176.117 -0.105 0.000 1.102 88 I CA 1.129 62.322 61.300 -0.179 0.000 1.385 88 I CB -0.183 37.621 38.000 -0.326 0.000 1.064 88 I HN 0.343 nan 8.210 nan 0.000 0.414 89 A N -0.273 122.495 122.820 -0.087 0.000 2.016 89 A HA -0.095 4.229 4.320 0.007 0.000 0.217 89 A C 2.392 179.927 177.584 -0.082 0.000 1.162 89 A CA 1.399 53.447 52.037 0.019 0.000 0.662 89 A CB -0.471 18.630 19.000 0.168 0.000 0.812 89 A HN 0.371 nan 8.150 nan 0.000 0.450 90 S N 0.262 115.806 115.700 -0.260 0.000 2.419 90 S HA -0.053 4.421 4.470 0.007 0.000 0.233 90 S C 0.631 175.039 174.600 -0.321 0.000 1.016 90 S CA 0.965 58.796 58.200 -0.615 0.000 0.974 90 S CB -0.111 62.837 63.200 -0.421 0.000 0.786 90 S HN 0.644 nan 8.310 nan 0.000 0.492 91 K N 1.678 121.988 120.400 -0.151 0.000 2.265 91 K HA 0.297 4.621 4.320 0.007 0.000 0.267 91 K C 1.130 177.714 176.600 -0.027 0.000 0.994 91 K CA -0.064 56.179 56.287 -0.073 0.000 0.860 91 K CB 1.320 33.785 32.500 -0.060 0.000 1.099 91 K HN 0.132 nan 8.250 nan 0.000 0.448 92 T N -0.593 113.959 114.554 -0.003 0.000 2.685 92 T HA -0.289 4.066 4.350 0.007 0.000 0.268 92 T C 1.772 176.481 174.700 0.015 0.000 1.034 92 T CA 1.390 63.499 62.100 0.016 0.000 1.149 92 T CB -0.106 68.773 68.868 0.019 0.000 0.860 92 T HN 0.444 nan 8.240 nan 0.000 0.449 93 Q N 1.508 121.311 119.800 0.006 0.000 2.079 93 Q HA -0.002 4.342 4.340 0.007 0.000 0.200 93 Q C 2.708 178.716 176.000 0.013 0.000 0.974 93 Q CA 1.994 57.802 55.803 0.008 0.000 0.840 93 Q CB -0.483 28.255 28.738 0.000 0.000 0.898 93 Q HN 0.847 nan 8.270 nan 0.000 0.430 94 S N -0.629 115.073 115.700 0.003 0.000 2.428 94 S HA -0.084 4.391 4.470 0.007 0.000 0.230 94 S C 1.881 176.511 174.600 0.050 0.000 1.014 94 S CA 0.761 58.966 58.200 0.007 0.000 0.957 94 S CB -0.180 63.001 63.200 -0.031 0.000 0.784 94 S HN 0.292 nan 8.310 nan 0.000 0.499 95 R N 1.728 122.260 120.500 0.053 0.000 2.066 95 R HA 0.032 4.376 4.340 0.007 0.000 0.232 95 R C 2.739 179.111 176.300 0.121 0.000 1.131 95 R CA 1.149 57.316 56.100 0.111 0.000 0.955 95 R CB -0.270 30.081 30.300 0.084 0.000 0.851 95 R HN 0.384 nan 8.270 nan 0.000 0.432 96 R N 0.034 120.572 120.500 0.064 0.000 2.096 96 R HA -0.093 4.251 4.340 0.007 0.000 0.235 96 R C 1.455 177.778 176.300 0.037 0.000 1.127 96 R CA 2.023 58.144 56.100 0.036 0.000 0.968 96 R CB -0.441 29.872 30.300 0.023 0.000 0.861 96 R HN 0.247 nan 8.270 nan 0.000 0.440 97 T N 1.162 115.750 114.554 0.057 0.000 2.737 97 T HA -0.136 4.218 4.350 0.007 0.000 0.265 97 T C 1.379 176.133 174.700 0.090 0.000 1.038 97 T CA 1.454 63.589 62.100 0.059 0.000 1.144 97 T CB -0.442 68.459 68.868 0.055 0.000 0.866 97 T HN 0.278 nan 8.240 nan 0.000 0.434 98 F N 1.926 121.862 119.950 -0.024 0.000 2.102 98 F HA -0.032 4.500 4.527 0.007 0.000 0.298 98 F C 1.968 177.768 175.800 -0.000 0.000 1.105 98 F CA 0.726 58.708 58.000 -0.030 0.000 1.239 98 F CB -0.750 38.219 39.000 -0.051 0.000 0.991 98 F HN 0.086 nan 8.300 nan 0.000 0.474 99 I N 0.338 120.762 120.570 -0.245 0.000 2.208 99 I HA -0.329 3.846 4.170 0.007 0.000 0.245 99 I C 2.476 178.487 176.117 -0.177 0.000 1.097 99 I CA 1.389 62.505 61.300 -0.306 0.000 1.363 99 I CB -0.523 37.397 38.000 -0.133 0.000 1.051 99 I HN 0.068 nan 8.210 nan 0.000 0.413 100 K N 0.568 120.919 120.400 -0.081 0.000 2.211 100 K HA -0.111 4.213 4.320 0.007 0.000 0.203 100 K C 2.236 178.826 176.600 -0.016 0.000 1.050 100 K CA 1.666 57.938 56.287 -0.024 0.000 0.945 100 K CB -0.173 32.328 32.500 0.001 0.000 0.732 100 K HN 0.433 nan 8.250 nan 0.000 0.451 101 S N -0.213 115.458 115.700 -0.048 0.000 2.489 101 S HA -0.026 4.448 4.470 0.007 0.000 0.228 101 S C 2.056 176.657 174.600 0.001 0.000 0.995 101 S CA 0.423 58.618 58.200 -0.009 0.000 0.934 101 S CB -0.162 63.037 63.200 -0.002 0.000 0.771 101 S HN -0.060 nan 8.310 nan 0.000 0.522 102 V N 3.030 122.898 119.914 -0.076 0.000 2.244 102 V HA -0.006 4.118 4.120 0.007 0.000 0.244 102 V C -0.302 175.861 176.094 0.116 0.000 1.042 102 V CA 1.618 63.921 62.300 0.005 0.000 1.006 102 V CB -1.649 30.135 31.823 -0.065 0.000 0.641 102 V HN 0.347 nan 8.190 nan 0.000 0.446 103 P HA -0.123 nan 4.420 nan 0.000 0.214 103 P C -1.359 175.965 177.300 0.040 0.000 1.163 103 P CA 2.133 65.241 63.100 0.014 0.000 0.889 103 P CB -1.244 30.468 31.700 0.019 0.000 0.790 104 P HA -0.171 nan 4.420 nan 0.000 0.216 104 P C 1.484 178.842 177.300 0.096 0.000 1.150 104 P CA 1.077 64.215 63.100 0.063 0.000 0.837 104 P CB -0.476 31.269 31.700 0.076 0.000 0.786 105 F N -0.147 119.822 119.950 0.032 0.000 2.075 105 F HA -0.172 4.359 4.527 0.007 0.000 0.297 105 F C 1.877 177.754 175.800 0.129 0.000 1.113 105 F CA 1.400 59.460 58.000 0.100 0.000 1.218 105 F CB -0.896 38.194 39.000 0.150 0.000 0.984 105 F HN -0.253 nan 8.300 nan 0.000 0.472 106 L N 0.179 121.540 121.223 0.229 0.000 2.046 106 L HA -0.179 4.165 4.340 0.007 0.000 0.208 106 L C 2.487 179.379 176.870 0.036 0.000 1.077 106 L CA 1.585 56.525 54.840 0.167 0.000 0.747 106 L CB -1.262 40.856 42.059 0.098 0.000 0.896 106 L HN 0.012 nan 8.230 nan 0.000 0.432 107 R N -1.079 119.405 120.500 -0.028 0.000 2.081 107 R HA -0.095 4.250 4.340 0.007 0.000 0.235 107 R C 2.265 178.482 176.300 -0.137 0.000 1.131 107 R CA 1.690 57.744 56.100 -0.077 0.000 0.960 107 R CB -0.844 29.416 30.300 -0.066 0.000 0.856 107 R HN 0.311 nan 8.270 nan 0.000 0.436 108 T N -0.216 114.213 114.554 -0.208 0.000 2.746 108 T HA -0.098 4.256 4.350 0.007 0.000 0.267 108 T C 1.064 175.487 174.700 -0.461 0.000 1.039 108 T CA 1.313 63.196 62.100 -0.362 0.000 1.142 108 T CB -0.216 68.341 68.868 -0.518 0.000 0.866 108 T HN 0.333 nan 8.240 nan 0.000 0.444 109 H N -0.170 118.770 119.070 -0.217 0.000 2.539 109 H HA 0.335 4.895 4.556 0.007 0.000 0.269 109 H C 1.819 176.912 175.328 -0.392 0.000 0.980 109 H CA 0.529 56.432 56.048 -0.242 0.000 1.152 109 H CB 0.088 29.723 29.762 -0.213 0.000 1.407 109 H HN 0.534 nan 8.280 nan 0.000 0.564 110 G N 0.742 109.400 108.800 -0.237 0.000 2.132 110 G HA2 -0.252 3.712 3.960 0.007 0.000 0.228 110 G HA3 -0.252 3.712 3.960 0.007 0.000 0.228 110 G C -0.234 174.429 174.900 -0.394 0.000 1.000 110 G CA -0.283 44.635 45.100 -0.303 0.000 0.693 110 G HN 0.164 nan 8.290 nan 0.000 0.515 111 F N 0.554 120.426 119.950 -0.131 0.000 2.371 111 F HA 0.465 4.996 4.527 0.007 0.000 0.329 111 F C 1.325 177.067 175.800 -0.098 0.000 1.107 111 F CA -0.489 57.441 58.000 -0.117 0.000 1.137 111 F CB 0.892 39.819 39.000 -0.123 0.000 1.214 111 F HN -0.017 nan 8.300 nan 0.000 0.536 112 D N 0.611 121.100 120.400 0.148 0.000 2.379 112 D HA 0.252 4.896 4.640 0.007 0.000 0.208 112 D C 0.705 177.032 176.300 0.045 0.000 1.065 112 D CA 0.454 54.486 54.000 0.054 0.000 0.848 112 D CB 0.844 41.671 40.800 0.045 0.000 0.949 112 D HN 0.636 nan 8.370 nan 0.000 0.509 113 G N 0.460 109.311 108.800 0.085 0.000 2.495 113 G HA2 0.423 4.387 3.960 0.007 0.000 0.294 113 G HA3 0.423 4.387 3.960 0.007 0.000 0.294 113 G C -2.296 172.641 174.900 0.063 0.000 1.397 113 G CA -0.731 44.397 45.100 0.047 0.000 0.790 113 G HN 0.038 nan 8.290 nan 0.000 0.486 114 L N 0.389 121.694 121.223 0.136 0.000 2.362 114 L HA 0.804 5.148 4.340 0.007 0.000 0.275 114 L C -1.258 175.682 176.870 0.117 0.000 0.998 114 L CA -0.616 54.314 54.840 0.150 0.000 0.820 114 L CB 2.134 44.368 42.059 0.292 0.000 1.270 114 L HN 0.588 nan 8.230 nan 0.000 0.415 115 D N 3.821 124.286 120.400 0.109 0.000 2.308 115 D HA 0.422 5.066 4.640 0.007 0.000 0.242 115 D C -1.229 175.174 176.300 0.172 0.000 1.059 115 D CA -0.133 53.935 54.000 0.112 0.000 0.830 115 D CB 1.126 42.021 40.800 0.158 0.000 1.161 115 D HN 0.525 nan 8.370 nan 0.000 0.494 116 L N 3.126 124.428 121.223 0.131 0.000 2.257 116 L HA 0.595 4.939 4.340 0.007 0.000 0.290 116 L C 0.236 177.155 176.870 0.082 0.000 1.044 116 L CA -0.761 54.152 54.840 0.122 0.000 0.810 116 L CB 1.531 43.638 42.059 0.081 0.000 1.193 116 L HN 0.571 nan 8.230 nan 0.000 0.425 117 A N 4.133 126.983 122.820 0.051 0.000 3.215 117 A HA 0.152 4.476 4.320 0.007 0.000 0.320 117 A C -0.738 176.712 177.584 -0.224 0.000 1.084 117 A CA -0.455 51.542 52.037 -0.066 0.000 0.969 117 A CB -0.130 18.854 19.000 -0.027 0.000 1.064 117 A HN 0.720 nan 8.150 nan 0.000 0.513 118 W N 2.596 123.572 121.300 -0.541 0.000 2.546 118 W HA 0.507 5.172 4.660 0.008 0.000 0.323 118 W C -1.423 174.792 176.519 -0.507 0.000 1.272 118 W CA -0.785 56.099 57.345 -0.768 0.000 1.404 118 W CB 0.077 28.929 29.460 -1.014 0.000 1.411 118 W HN 0.342 nan 8.180 nan 0.000 0.480 119 L N 8.904 130.043 121.223 -0.140 0.000 2.353 119 L HA 0.359 4.703 4.340 0.007 0.000 0.270 119 L C -1.017 175.576 176.870 -0.461 0.000 1.003 119 L CA -0.721 53.666 54.840 -0.754 0.000 0.862 119 L CB 0.355 41.690 42.059 -1.207 0.000 1.221 119 L HN 0.218 nan 8.230 nan 0.000 0.430 120 Y N 1.984 122.303 120.300 0.031 0.000 2.545 120 Y HA 0.548 5.102 4.550 0.007 0.000 0.348 120 Y C -2.304 173.395 175.900 -0.335 0.000 1.002 120 Y CA -2.542 55.468 58.100 -0.151 0.000 1.039 120 Y CB 2.060 40.459 38.460 -0.102 0.000 1.271 120 Y HN 0.354 nan 8.280 nan 0.000 0.467 121 P HA 0.212 nan 4.420 nan 0.000 0.276 121 P C -0.037 177.012 177.300 -0.419 0.000 1.230 121 P CA -0.141 62.430 63.100 -0.882 0.000 0.776 121 P CB 0.934 31.729 31.700 -1.508 0.000 0.888 122 G N 1.717 110.392 108.800 -0.209 0.000 2.532 122 G HA2 0.142 4.106 3.960 0.007 0.000 0.291 122 G HA3 0.142 4.106 3.960 0.007 0.000 0.291 122 G C 0.876 175.691 174.900 -0.142 0.000 1.349 122 G CA -0.553 44.477 45.100 -0.118 0.000 1.038 122 G HN 0.396 nan 8.290 nan 0.000 0.518 123 R N -0.630 119.819 120.500 -0.084 0.000 2.091 123 R HA -0.061 4.284 4.340 0.007 0.000 0.238 123 R C 2.530 178.788 176.300 -0.070 0.000 1.136 123 R CA 1.213 57.267 56.100 -0.077 0.000 0.959 123 R CB -0.147 30.127 30.300 -0.044 0.000 0.856 123 R HN 0.457 nan 8.270 nan 0.000 0.437 124 R N -0.142 120.341 120.500 -0.028 0.000 2.276 124 R HA -0.035 4.310 4.340 0.007 0.000 0.203 124 R C 0.836 177.164 176.300 0.047 0.000 1.017 124 R CA 0.747 56.854 56.100 0.012 0.000 1.010 124 R CB 0.142 30.477 30.300 0.058 0.000 0.900 124 R HN 0.317 nan 8.270 nan 0.000 0.469 125 D N 0.405 120.800 120.400 -0.007 0.000 2.355 125 D HA -0.056 4.588 4.640 0.007 0.000 0.206 125 D C 1.502 177.690 176.300 -0.186 0.000 1.010 125 D CA 0.329 54.340 54.000 0.018 0.000 0.875 125 D CB 0.136 40.877 40.800 -0.098 0.000 0.966 125 D HN 0.095 nan 8.370 nan 0.000 0.512 126 K N 1.538 121.780 120.400 -0.262 0.000 2.071 126 K HA -0.246 4.078 4.320 0.007 0.000 0.217 126 K C 2.132 178.599 176.600 -0.221 0.000 1.054 126 K CA 1.398 57.521 56.287 -0.273 0.000 0.937 126 K CB 0.090 32.470 32.500 -0.200 0.000 0.719 126 K HN -0.064 nan 8.250 nan 0.000 0.454 127 R N -0.429 119.912 120.500 -0.265 0.000 2.096 127 R HA -0.140 4.205 4.340 0.007 0.000 0.235 127 R C 2.059 178.222 176.300 -0.229 0.000 1.127 127 R CA 1.623 57.557 56.100 -0.276 0.000 0.968 127 R CB -0.220 29.858 30.300 -0.369 0.000 0.861 127 R HN 0.492 nan 8.270 nan 0.000 0.440 128 H N 0.419 119.503 119.070 0.025 0.000 2.428 128 H HA -0.083 4.477 4.556 0.007 0.000 0.296 128 H C 2.118 177.524 175.328 0.130 0.000 1.062 128 H CA 0.818 56.922 56.048 0.094 0.000 1.350 128 H CB -0.230 29.630 29.762 0.163 0.000 1.403 128 H HN 0.205 nan 8.280 nan 0.000 0.533 129 L N 0.665 121.974 121.223 0.144 0.000 2.017 129 L HA -0.182 4.162 4.340 0.007 0.000 0.208 129 L C 2.093 178.998 176.870 0.059 0.000 1.073 129 L CA 1.558 56.450 54.840 0.086 0.000 0.745 129 L CB -0.436 41.446 42.059 -0.296 0.000 0.894 129 L HN 0.209 nan 8.230 nan 0.000 0.432 130 T N -0.726 113.829 114.554 0.001 0.000 2.720 130 T HA -0.196 4.158 4.350 0.007 0.000 0.268 130 T C 1.725 176.430 174.700 0.009 0.000 1.037 130 T CA 2.039 64.144 62.100 0.009 0.000 1.144 130 T CB -0.349 68.513 68.868 -0.009 0.000 0.864 130 T HN 0.449 nan 8.240 nan 0.000 0.444 131 T N 2.320 116.893 114.554 0.033 0.000 2.746 131 T HA -0.052 4.302 4.350 0.007 0.000 0.267 131 T C 1.879 176.597 174.700 0.030 0.000 1.039 131 T CA 0.897 63.017 62.100 0.033 0.000 1.142 131 T CB -0.475 68.448 68.868 0.093 0.000 0.866 131 T HN 0.129 nan 8.240 nan 0.000 0.444 132 L N 1.327 122.606 121.223 0.094 0.000 2.046 132 L HA -0.025 4.320 4.340 0.007 0.000 0.208 132 L C 2.422 179.303 176.870 0.018 0.000 1.077 132 L CA 1.519 56.422 54.840 0.106 0.000 0.747 132 L CB -0.797 41.395 42.059 0.221 0.000 0.896 132 L HN 0.074 nan 8.230 nan 0.000 0.432 133 V N -0.283 119.633 119.914 0.003 0.000 2.307 133 V HA -0.285 3.839 4.120 0.007 0.000 0.245 133 V C 2.617 178.605 176.094 -0.177 0.000 1.045 133 V CA 2.006 64.274 62.300 -0.052 0.000 1.024 133 V CB -0.607 31.224 31.823 0.012 0.000 0.651 133 V HN 0.448 nan 8.190 nan 0.000 0.449 134 K N -0.083 120.161 120.400 -0.261 0.000 2.009 134 K HA -0.234 4.091 4.320 0.007 0.000 0.210 134 K C 2.162 178.574 176.600 -0.313 0.000 1.049 134 K CA 2.063 58.046 56.287 -0.507 0.000 0.929 134 K CB -0.241 32.009 32.500 -0.416 0.000 0.714 134 K HN 0.547 nan 8.250 nan 0.000 0.440 135 E N 0.238 120.325 120.200 -0.189 0.000 2.150 135 E HA -0.188 4.166 4.350 0.007 0.000 0.193 135 E C 1.909 178.398 176.600 -0.185 0.000 0.985 135 E CA 0.990 57.306 56.400 -0.139 0.000 0.814 135 E CB -0.026 29.631 29.700 -0.073 0.000 0.752 135 E HN 0.176 nan 8.360 nan 0.000 0.466 136 M N 1.048 120.499 119.600 -0.248 0.000 2.132 136 M HA -0.119 4.365 4.480 0.007 0.000 0.263 136 M C 1.975 177.874 176.300 -0.669 0.000 1.065 136 M CA 1.529 56.561 55.300 -0.447 0.000 1.122 136 M CB 0.137 32.469 32.600 -0.446 0.000 1.365 136 M HN -0.224 nan 8.290 nan 0.000 0.411 137 K N 0.362 120.495 120.400 -0.446 0.000 2.057 137 K HA 0.079 4.404 4.320 0.007 0.000 0.206 137 K C 1.804 178.328 176.600 -0.125 0.000 1.050 137 K CA 1.773 57.884 56.287 -0.294 0.000 0.935 137 K CB -0.796 31.640 32.500 -0.108 0.000 0.715 137 K HN 0.377 nan 8.250 nan 0.000 0.439 138 A N 0.520 123.265 122.820 -0.124 0.000 1.933 138 A HA -0.184 4.140 4.320 0.007 0.000 0.218 138 A C 2.133 179.716 177.584 -0.001 0.000 1.175 138 A CA 2.046 54.056 52.037 -0.044 0.000 0.628 138 A CB -0.671 18.293 19.000 -0.061 0.000 0.814 138 A HN 0.505 nan 8.150 nan 0.000 0.444 139 E N -0.803 119.378 120.200 -0.031 0.000 2.106 139 E HA -0.130 4.224 4.350 0.007 0.000 0.192 139 E C 1.536 178.273 176.600 0.228 0.000 0.984 139 E CA 1.173 57.608 56.400 0.057 0.000 0.806 139 E CB -0.373 29.339 29.700 0.020 0.000 0.750 139 E HN 0.496 nan 8.360 nan 0.000 0.458 140 F N 0.413 120.356 119.950 -0.011 0.000 2.186 140 F HA -0.011 4.520 4.527 0.007 0.000 0.299 140 F C 2.140 177.946 175.800 0.008 0.000 1.090 140 F CA 0.598 58.598 58.000 -0.000 0.000 1.307 140 F CB -0.721 38.282 39.000 0.006 0.000 1.019 140 F HN 0.103 nan 8.300 nan 0.000 0.489 141 I N -0.580 120.114 120.570 0.207 0.000 2.226 141 I HA -0.297 3.878 4.170 0.007 0.000 0.245 141 I C 2.648 178.817 176.117 0.087 0.000 1.100 141 I CA 1.111 62.484 61.300 0.121 0.000 1.374 141 I CB -0.309 37.743 38.000 0.087 0.000 1.057 141 I HN -0.006 nan 8.210 nan 0.000 0.413 142 R N 0.734 121.284 120.500 0.083 0.000 2.073 142 R HA -0.194 4.151 4.340 0.007 0.000 0.234 142 R C 2.395 178.728 176.300 0.054 0.000 1.134 142 R CA 1.394 57.529 56.100 0.059 0.000 0.952 142 R CB -0.214 30.117 30.300 0.052 0.000 0.850 142 R HN 0.205 nan 8.270 nan 0.000 0.433 143 E N 0.227 120.470 120.200 0.072 0.000 2.209 143 E HA -0.174 4.180 4.350 0.007 0.000 0.196 143 E C 1.411 178.023 176.600 0.020 0.000 0.993 143 E CA 1.323 57.748 56.400 0.043 0.000 0.819 143 E CB -0.019 29.706 29.700 0.043 0.000 0.745 143 E HN 0.442 nan 8.360 nan 0.000 0.477 144 A N 0.524 123.361 122.820 0.028 0.000 2.168 144 A HA -0.122 4.203 4.320 0.007 0.000 0.215 144 A C 1.923 179.516 177.584 0.014 0.000 1.152 144 A CA 0.672 52.718 52.037 0.015 0.000 0.716 144 A CB -0.297 18.719 19.000 0.026 0.000 0.794 144 A HN 0.272 nan 8.150 nan 0.000 0.465 145 Q N -0.616 119.196 119.800 0.019 0.000 2.364 145 Q HA -0.025 4.319 4.340 0.007 0.000 0.207 145 Q C 1.950 177.954 176.000 0.008 0.000 0.970 145 Q CA 0.906 56.718 55.803 0.015 0.000 0.888 145 Q CB -0.289 28.460 28.738 0.018 0.000 0.951 145 Q HN 0.686 nan 8.270 nan 0.000 0.469 146 A N -0.044 122.779 122.820 0.005 0.000 2.235 146 A HA 0.225 4.549 4.320 0.007 0.000 0.208 146 A C 1.508 179.089 177.584 -0.005 0.000 1.172 146 A CA 0.861 52.898 52.037 -0.001 0.000 0.786 146 A CB -0.354 18.643 19.000 -0.004 0.000 0.804 146 A HN 0.461 nan 8.150 nan 0.000 0.479 147 G N -1.285 107.512 108.800 -0.004 0.000 2.176 147 G HA2 -0.211 3.754 3.960 0.007 0.000 0.232 147 G HA3 -0.211 3.754 3.960 0.007 0.000 0.232 147 G C 0.440 175.333 174.900 -0.012 0.000 0.986 147 G CA 0.657 45.753 45.100 -0.007 0.000 0.643 147 G HN 1.396 nan 8.290 nan 0.000 0.522 148 T N -1.594 112.950 114.554 -0.016 0.000 2.943 148 T HA 0.642 4.996 4.350 0.007 0.000 0.284 148 T C 0.068 174.755 174.700 -0.023 0.000 1.015 148 T CA -0.026 62.059 62.100 -0.025 0.000 1.042 148 T CB 2.525 71.371 68.868 -0.036 0.000 1.055 148 T HN 0.423 nan 8.240 nan 0.000 0.500 149 E N 1.247 121.432 120.200 -0.026 0.000 2.480 149 E HA -0.011 4.344 4.350 0.007 0.000 0.258 149 E C 0.299 176.883 176.600 -0.027 0.000 0.984 149 E CA -0.094 56.295 56.400 -0.019 0.000 0.930 149 E CB 0.376 30.065 29.700 -0.019 0.000 0.936 149 E HN 0.613 nan 8.360 nan 0.000 0.466 150 Q N 4.070 123.866 119.800 -0.007 0.000 2.283 150 Q HA -0.031 4.313 4.340 0.007 0.000 0.301 150 Q C -0.580 175.398 176.000 -0.036 0.000 1.063 150 Q CA -0.062 55.738 55.803 -0.005 0.000 0.952 150 Q CB 0.464 29.230 28.738 0.047 0.000 1.166 150 Q HN 0.585 nan 8.270 nan 0.000 0.381 151 L N 4.334 125.463 121.223 -0.156 0.000 2.461 151 L HA 0.110 4.454 4.340 0.007 0.000 0.272 151 L C 0.040 176.884 176.870 -0.044 0.000 1.197 151 L CA -0.120 54.548 54.840 -0.286 0.000 0.836 151 L CB 0.248 41.757 42.059 -0.917 0.000 1.105 151 L HN 0.588 nan 8.230 nan 0.000 0.477 152 L N 3.211 124.458 121.223 0.041 0.000 2.379 152 L HA 0.449 4.793 4.340 0.007 0.000 0.269 152 L C -0.502 176.520 176.870 0.253 0.000 1.084 152 L CA -0.476 54.465 54.840 0.167 0.000 0.802 152 L CB 1.406 43.578 42.059 0.189 0.000 1.175 152 L HN 0.369 nan 8.230 nan 0.000 0.448 153 L N 2.292 123.626 121.223 0.185 0.000 2.406 153 L HA 0.612 4.956 4.340 0.007 0.000 0.272 153 L C -0.332 176.443 176.870 -0.157 0.000 0.980 153 L CA 0.173 55.082 54.840 0.114 0.000 0.831 153 L CB 1.772 43.878 42.059 0.079 0.000 1.253 153 L HN 0.729 nan 8.230 nan 0.000 0.406 154 S N 3.447 118.990 115.700 -0.261 0.000 2.704 154 S HA 1.050 5.524 4.470 0.007 0.000 0.296 154 S C -0.802 173.686 174.600 -0.187 0.000 1.138 154 S CA -0.243 57.655 58.200 -0.504 0.000 0.875 154 S CB 1.929 64.429 63.200 -1.166 0.000 1.151 154 S HN 1.293 nan 8.310 nan 0.000 0.500 155 A N 0.002 122.748 122.820 -0.123 0.000 2.547 155 A HA 0.866 5.190 4.320 0.007 0.000 0.297 155 A C -0.612 177.020 177.584 0.079 0.000 1.056 155 A CA -0.465 51.581 52.037 0.016 0.000 0.688 155 A CB 1.143 20.159 19.000 0.027 0.000 1.282 155 A HN 1.811 nan 8.150 nan 0.000 0.400 156 A N 1.231 124.123 122.820 0.120 0.000 2.274 156 A HA 0.681 5.005 4.320 0.007 0.000 0.309 156 A C -0.528 177.091 177.584 0.060 0.000 1.226 156 A CA -0.368 51.745 52.037 0.127 0.000 0.853 156 A CB 0.458 19.540 19.000 0.137 0.000 1.146 156 A HN 1.341 nan 8.150 nan 0.000 0.518 157 V N 1.976 121.891 119.914 0.001 0.000 2.680 157 V HA 0.451 4.575 4.120 0.007 0.000 0.309 157 V C 0.807 176.821 176.094 -0.134 0.000 1.052 157 V CA -0.602 61.621 62.300 -0.128 0.000 0.908 157 V CB 1.968 33.581 31.823 -0.351 0.000 1.001 157 V HN 1.036 nan 8.190 nan 0.000 0.431 158 S N 2.592 118.226 115.700 -0.111 0.000 2.566 158 S HA 0.301 4.775 4.470 0.007 0.000 0.280 158 S C 1.036 175.507 174.600 -0.215 0.000 1.343 158 S CA 0.382 58.477 58.200 -0.175 0.000 1.036 158 S CB 1.076 64.058 63.200 -0.363 0.000 0.866 158 S HN 1.129 nan 8.310 nan 0.000 0.526 159 A N 3.484 126.187 122.820 -0.196 0.000 2.390 159 A HA 0.462 4.786 4.320 0.007 0.000 0.232 159 A C 0.943 178.581 177.584 0.089 0.000 1.233 159 A CA 0.221 52.225 52.037 -0.055 0.000 0.907 159 A CB -0.331 18.619 19.000 -0.082 0.000 0.967 159 A HN 0.948 nan 8.150 nan 0.000 0.512 160 G N -0.019 108.761 108.800 -0.032 0.000 2.349 160 G HA2 0.330 4.294 3.960 0.007 0.000 0.281 160 G HA3 0.330 4.294 3.960 0.007 0.000 0.281 160 G C 0.812 175.718 174.900 0.009 0.000 1.182 160 G CA -0.358 44.768 45.100 0.044 0.000 0.899 160 G HN 0.101 nan 8.290 nan 0.000 0.455 161 K N 2.451 122.851 120.400 0.000 0.000 2.052 161 K HA -0.196 4.128 4.320 0.007 0.000 0.215 161 K C 2.226 178.755 176.600 -0.119 0.000 1.053 161 K CA 1.502 57.683 56.287 -0.177 0.000 0.934 161 K CB -0.205 31.994 32.500 -0.502 0.000 0.717 161 K HN 0.672 nan 8.250 nan 0.000 0.450 162 I N 0.289 120.802 120.570 -0.095 0.000 2.315 162 I HA -0.237 3.937 4.170 0.007 0.000 0.248 162 I C 2.428 178.525 176.117 -0.032 0.000 1.117 162 I CA 1.019 62.284 61.300 -0.058 0.000 1.404 162 I CB -0.287 37.688 38.000 -0.041 0.000 1.071 162 I HN 0.153 nan 8.210 nan 0.000 0.419 163 A N 1.028 123.817 122.820 -0.052 0.000 1.930 163 A HA -0.132 4.192 4.320 0.007 0.000 0.217 163 A C 2.279 179.923 177.584 0.101 0.000 1.175 163 A CA 1.307 53.313 52.037 -0.051 0.000 0.627 163 A CB -0.668 18.209 19.000 -0.205 0.000 0.815 163 A HN 0.350 nan 8.150 nan 0.000 0.443 164 I N -0.154 120.470 120.570 0.091 0.000 2.202 164 I HA -0.218 3.956 4.170 0.007 0.000 0.242 164 I C 1.786 178.018 176.117 0.192 0.000 1.091 164 I CA 1.448 62.845 61.300 0.161 0.000 1.368 164 I CB -0.422 37.640 38.000 0.102 0.000 1.058 164 I HN 0.223 nan 8.210 nan 0.000 0.410 165 D N 0.347 120.828 120.400 0.135 0.000 2.178 165 D HA -0.174 4.471 4.640 0.007 0.000 0.201 165 D C 2.180 178.505 176.300 0.042 0.000 0.980 165 D CA 0.911 54.969 54.000 0.097 0.000 0.842 165 D CB -0.244 40.601 40.800 0.074 0.000 0.948 165 D HN 0.261 nan 8.370 nan 0.000 0.472 166 R N 0.267 120.780 120.500 0.021 0.000 2.055 166 R HA -0.033 4.311 4.340 0.007 0.000 0.228 166 R C 1.839 178.083 176.300 -0.093 0.000 1.143 166 R CA 1.593 57.673 56.100 -0.033 0.000 0.945 166 R CB -0.292 29.982 30.300 -0.044 0.000 0.841 166 R HN 0.175 nan 8.270 nan 0.000 0.429 167 G N -1.092 107.619 108.800 -0.147 0.000 3.159 167 G HA2 0.131 4.095 3.960 0.007 0.000 0.232 167 G HA3 0.131 4.095 3.960 0.007 0.000 0.232 167 G C -0.523 174.024 174.900 -0.588 0.000 1.116 167 G CA -0.248 44.597 45.100 -0.426 0.000 0.767 167 G HN 0.198 nan 8.290 nan 0.000 0.547 168 Y N -0.390 119.819 120.300 -0.151 0.000 2.462 168 Y HA 0.440 4.996 4.550 0.009 0.000 0.346 168 Y C -0.935 174.902 175.900 -0.105 0.000 0.976 168 Y CA -1.469 56.547 58.100 -0.140 0.000 1.044 168 Y CB 2.254 40.642 38.460 -0.120 0.000 1.230 168 Y HN -0.127 nan 8.280 nan 0.000 0.455 169 D N 3.445 123.881 120.400 0.061 0.000 2.540 169 D HA 0.185 4.829 4.640 0.007 0.000 0.251 169 D C 0.938 177.250 176.300 0.020 0.000 1.159 169 D CA -0.012 53.995 54.000 0.013 0.000 0.974 169 D CB 0.344 41.136 40.800 -0.012 0.000 0.996 169 D HN 0.463 nan 8.370 nan 0.000 0.512 170 I N 1.769 122.340 120.570 0.002 0.000 2.194 170 I HA -0.292 3.882 4.170 0.007 0.000 0.246 170 I C 2.309 178.399 176.117 -0.044 0.000 1.093 170 I CA 1.014 62.292 61.300 -0.036 0.000 1.355 170 I CB -1.368 36.574 38.000 -0.096 0.000 1.046 170 I HN 0.328 nan 8.210 nan 0.000 0.413 171 A N 0.019 122.806 122.820 -0.054 0.000 1.933 171 A HA -0.209 4.115 4.320 0.007 0.000 0.218 171 A C 2.262 179.821 177.584 -0.043 0.000 1.175 171 A CA 1.313 53.317 52.037 -0.056 0.000 0.628 171 A CB -0.400 18.566 19.000 -0.057 0.000 0.814 171 A HN 0.445 nan 8.150 nan 0.000 0.444 172 Q N -0.225 119.566 119.800 -0.014 0.000 2.020 172 Q HA -0.097 4.247 4.340 0.007 0.000 0.198 172 Q C 2.282 178.318 176.000 0.059 0.000 0.974 172 Q CA 1.675 57.490 55.803 0.021 0.000 0.829 172 Q CB -0.518 28.250 28.738 0.050 0.000 0.894 172 Q HN 0.935 nan 8.270 nan 0.000 0.433 173 I N -1.787 118.824 120.570 0.068 0.000 2.493 173 I HA -0.108 4.067 4.170 0.007 0.000 0.254 173 I C 1.983 178.122 176.117 0.036 0.000 1.160 173 I CA 0.962 62.320 61.300 0.098 0.000 1.445 173 I CB -0.350 37.698 38.000 0.081 0.000 1.086 173 I HN -0.143 nan 8.210 nan 0.000 0.433 174 S N 2.007 117.698 115.700 -0.015 0.000 2.400 174 S HA -0.152 4.322 4.470 0.007 0.000 0.232 174 S C 1.986 176.540 174.600 -0.076 0.000 1.025 174 S CA 1.827 60.005 58.200 -0.036 0.000 0.993 174 S CB -0.415 62.758 63.200 -0.046 0.000 0.808 174 S HN 0.640 nan 8.310 nan 0.000 0.478 175 R N 0.241 120.639 120.500 -0.170 0.000 2.235 175 R HA 0.079 4.423 4.340 0.007 0.000 0.213 175 R C 1.260 177.335 176.300 -0.375 0.000 1.059 175 R CA 1.036 56.962 56.100 -0.289 0.000 0.997 175 R CB -0.446 29.625 30.300 -0.383 0.000 0.884 175 R HN 0.477 nan 8.270 nan 0.000 0.462 176 H N 0.335 119.400 119.070 -0.009 0.000 2.654 176 H HA 0.284 4.845 4.556 0.008 0.000 0.264 176 H C 0.597 175.914 175.328 -0.018 0.000 0.954 176 H CA -0.037 56.002 56.048 -0.015 0.000 1.199 176 H CB 0.496 30.241 29.762 -0.028 0.000 1.446 176 H HN 0.035 nan 8.280 nan 0.000 0.516 177 L N 1.342 122.602 121.223 0.061 0.000 2.357 177 L HA 0.101 4.445 4.340 0.007 0.000 0.273 177 L C 1.182 178.062 176.870 0.016 0.000 1.080 177 L CA -0.356 54.491 54.840 0.012 0.000 0.803 177 L CB 1.276 43.325 42.059 -0.017 0.000 1.174 177 L HN -0.016 nan 8.230 nan 0.000 0.443 178 D N 1.622 122.018 120.400 -0.007 0.000 2.194 178 D HA 0.028 4.672 4.640 0.007 0.000 0.204 178 D C -0.224 176.202 176.300 0.210 0.000 0.964 178 D CA 1.357 55.412 54.000 0.092 0.000 0.846 178 D CB 0.374 41.255 40.800 0.135 0.000 0.962 178 D HN 0.340 nan 8.370 nan 0.000 0.490 179 F N -1.175 118.790 119.950 0.025 0.000 2.703 179 F HA 0.494 5.025 4.527 0.008 0.000 0.308 179 F C -1.646 174.171 175.800 0.028 0.000 1.126 179 F CA -1.320 56.685 58.000 0.009 0.000 0.959 179 F CB 0.893 39.877 39.000 -0.026 0.000 1.297 179 F HN -0.388 nan 8.300 nan 0.000 0.441 180 I N 2.414 123.132 120.570 0.248 0.000 2.389 180 I HA 0.378 4.552 4.170 0.007 0.000 0.288 180 I C -0.581 175.671 176.117 0.226 0.000 0.999 180 I CA -0.753 60.635 61.300 0.147 0.000 1.129 180 I CB 2.063 40.099 38.000 0.060 0.000 1.288 180 I HN 0.637 nan 8.210 nan 0.000 0.444 181 S N 7.019 122.864 115.700 0.242 0.000 2.438 181 S HA 0.465 4.939 4.470 0.007 0.000 0.293 181 S C -0.163 174.517 174.600 0.133 0.000 1.141 181 S CA -0.543 57.810 58.200 0.256 0.000 1.080 181 S CB 0.742 64.172 63.200 0.383 0.000 0.978 181 S HN 0.378 nan 8.310 nan 0.000 0.479 182 L N 4.245 125.526 121.223 0.096 0.000 2.281 182 L HA 0.321 4.665 4.340 0.007 0.000 0.285 182 L C -0.113 176.716 176.870 -0.069 0.000 1.074 182 L CA -0.418 54.428 54.840 0.010 0.000 0.817 182 L CB 0.618 42.699 42.059 0.037 0.000 1.168 182 L HN 0.556 nan 8.230 nan 0.000 0.434 183 L N 4.313 125.415 121.223 -0.203 0.000 2.437 183 L HA 0.066 4.410 4.340 0.007 0.000 0.243 183 L C 0.929 177.399 176.870 -0.665 0.000 1.346 183 L CA -0.189 54.321 54.840 -0.550 0.000 1.233 183 L CB -0.639 41.169 42.059 -0.417 0.000 1.436 183 L HN 0.659 nan 8.230 nan 0.000 0.416 184 T N -2.604 111.697 114.554 -0.423 0.000 3.624 184 T HA 0.077 4.431 4.350 0.007 0.000 0.231 184 T C 0.296 174.937 174.700 -0.097 0.000 0.865 184 T CA -0.224 61.757 62.100 -0.198 0.000 0.926 184 T CB -0.820 68.136 68.868 0.146 0.000 1.189 184 T HN 0.519 nan 8.240 nan 0.000 0.640 185 Y N -2.069 118.167 120.300 -0.107 0.000 2.830 185 Y HA 0.570 5.124 4.550 0.006 0.000 0.248 185 Y C -0.229 175.791 175.900 0.200 0.000 1.119 185 Y CA -1.893 56.267 58.100 0.100 0.000 1.164 185 Y CB -0.302 38.289 38.460 0.218 0.000 1.237 185 Y HN 0.266 nan 8.280 nan 0.000 0.598 186 D N 0.201 120.556 120.400 -0.075 0.000 2.945 186 D HA 0.269 4.913 4.640 0.007 0.000 0.366 186 D C -0.169 176.165 176.300 0.055 0.000 1.352 186 D CA -0.339 53.754 54.000 0.155 0.000 0.810 186 D CB -0.419 40.440 40.800 0.099 0.000 1.170 186 D HN 0.175 nan 8.370 nan 0.000 0.461 187 F N -0.099 120.078 119.950 0.379 0.000 2.754 187 F HA 0.246 4.778 4.527 0.008 0.000 0.297 187 F C 1.226 177.251 175.800 0.375 0.000 1.122 187 F CA 0.286 58.466 58.000 0.300 0.000 1.400 187 F CB 0.106 39.235 39.000 0.215 0.000 1.117 187 F HN 0.228 nan 8.300 nan 0.000 0.587 188 H N -1.456 117.931 119.070 0.529 0.000 2.942 188 H HA 0.676 5.236 4.556 0.007 0.000 0.316 188 H C -0.522 175.003 175.328 0.329 0.000 1.323 188 H CA 0.002 56.283 56.048 0.389 0.000 1.144 188 H CB 1.890 31.831 29.762 0.299 0.000 1.866 188 H HN 0.086 nan 8.280 nan 0.000 0.545 189 G N -1.007 107.660 108.800 -0.222 0.000 2.349 189 G HA2 0.411 4.375 3.960 0.007 0.000 0.294 189 G HA3 0.411 4.375 3.960 0.007 0.000 0.294 189 G C -0.965 173.180 174.900 -1.259 0.000 1.380 189 G CA 0.021 44.287 45.100 -1.390 0.000 0.811 189 G HN 0.588 nan 8.290 nan 0.000 0.519 190 A N -0.815 121.236 122.820 -1.281 0.000 2.359 190 A HA 0.383 4.708 4.320 0.007 0.000 0.240 190 A C 1.127 178.607 177.584 -0.172 0.000 1.306 190 A CA 0.694 52.561 52.037 -0.284 0.000 0.898 190 A CB -0.957 17.938 19.000 -0.175 0.000 0.956 190 A HN 0.851 nan 8.150 nan 0.000 0.497 191 W N -0.563 120.805 121.300 0.112 0.000 2.942 191 W HA 0.322 4.986 4.660 0.006 0.000 0.263 191 W C 0.616 177.149 176.519 0.024 0.000 1.296 191 W CA -0.471 56.904 57.345 0.050 0.000 1.504 191 W CB 0.154 29.630 29.460 0.028 0.000 1.096 191 W HN 0.000 nan 8.180 nan 0.000 0.639 192 R N 2.564 123.025 120.500 -0.064 0.000 2.514 192 R HA 0.159 4.504 4.340 0.007 0.000 0.301 192 R C 0.353 176.599 176.300 -0.090 0.000 0.962 192 R CA -0.656 55.403 56.100 -0.069 0.000 0.882 192 R CB 1.251 31.446 30.300 -0.175 0.000 1.143 192 R HN 0.114 nan 8.270 nan 0.000 0.452 193 Q N 1.502 121.267 119.800 -0.058 0.000 2.945 193 Q HA 0.074 4.418 4.340 0.007 0.000 0.323 193 Q C -0.203 175.715 176.000 -0.137 0.000 1.188 193 Q CA 0.091 55.850 55.803 -0.074 0.000 0.929 193 Q CB 0.243 28.958 28.738 -0.038 0.000 1.531 193 Q HN 0.490 nan 8.270 nan 0.000 0.444 194 T N -1.480 112.948 114.554 -0.209 0.000 2.821 194 T HA 0.371 4.725 4.350 0.007 0.000 0.306 194 T C -1.244 173.118 174.700 -0.564 0.000 1.313 194 T CA -0.516 61.408 62.100 -0.292 0.000 1.012 194 T CB 2.258 71.021 68.868 -0.174 0.000 1.298 194 T HN 0.119 nan 8.240 nan 0.000 0.502 195 V N 2.002 121.455 119.914 -0.769 0.000 2.567 195 V HA 0.856 4.980 4.120 0.007 0.000 0.289 195 V C 0.765 176.195 176.094 -1.106 0.000 1.049 195 V CA 0.935 62.451 62.300 -1.306 0.000 0.969 195 V CB 1.002 31.860 31.823 -1.609 0.000 0.995 195 V HN 1.234 nan 8.190 nan 0.000 0.471 196 G N 3.350 111.404 108.800 -1.244 0.000 2.547 196 G HA2 0.315 4.280 3.960 0.007 0.000 0.291 196 G HA3 0.315 4.280 3.960 0.007 0.000 0.291 196 G C -1.780 172.983 174.900 -0.229 0.000 1.471 196 G CA -0.648 43.924 45.100 -0.880 0.000 0.798 196 G HN 0.674 nan 8.290 nan 0.000 0.504 197 H N -0.099 119.002 119.070 0.051 0.000 2.502 197 H HA 0.262 4.824 4.556 0.010 0.000 0.327 197 H C 1.268 176.785 175.328 0.314 0.000 1.099 197 H CA 0.247 56.482 56.048 0.311 0.000 1.323 197 H CB 1.402 31.343 29.762 0.299 0.000 1.450 197 H HN 0.811 nan 8.280 nan 0.000 0.502 198 H N 0.798 120.143 119.070 0.458 0.000 2.551 198 H HA 0.105 4.667 4.556 0.009 0.000 0.266 198 H C 0.367 176.058 175.328 0.605 0.000 0.964 198 H CA 0.509 56.872 56.048 0.524 0.000 1.180 198 H CB 0.479 30.484 29.762 0.405 0.000 1.408 198 H HN 0.286 nan 8.280 nan 0.000 0.563 199 S N -0.209 115.614 115.700 0.206 0.000 2.569 199 S HA 0.313 4.787 4.470 0.007 0.000 0.215 199 S C -2.973 171.635 174.600 0.013 0.000 1.096 199 S CA -1.276 57.030 58.200 0.178 0.000 1.183 199 S CB 0.599 63.773 63.200 -0.043 0.000 1.324 199 S HN 0.137 nan 8.310 nan 0.000 0.421 200 P HA 0.183 nan 4.420 nan 0.000 0.275 200 P C 0.753 177.907 177.300 -0.242 0.000 1.228 200 P CA -0.545 62.427 63.100 -0.213 0.000 0.786 200 P CB 1.262 32.852 31.700 -0.183 0.000 0.927 201 L N 2.447 123.473 121.223 -0.329 0.000 2.127 201 L HA 0.254 4.599 4.340 0.007 0.000 0.203 201 L C 0.400 176.796 176.870 -0.789 0.000 1.080 201 L CA 1.638 56.111 54.840 -0.611 0.000 0.768 201 L CB -0.572 41.043 42.059 -0.740 0.000 0.924 201 L HN 0.192 nan 8.230 nan 0.000 0.444 202 F N -2.023 117.805 119.950 -0.203 0.000 2.575 202 F HA 0.589 5.122 4.527 0.009 0.000 0.330 202 F C 1.343 177.045 175.800 -0.163 0.000 1.056 202 F CA -0.417 57.486 58.000 -0.162 0.000 0.964 202 F CB 0.769 39.703 39.000 -0.109 0.000 1.258 202 F HN -0.115 nan 8.300 nan 0.000 0.484 203 A N 1.290 124.166 122.820 0.094 0.000 1.851 203 A HA 0.322 4.646 4.320 0.007 0.000 0.216 203 A C 1.139 178.678 177.584 -0.076 0.000 1.195 203 A CA 1.304 53.317 52.037 -0.040 0.000 0.622 203 A CB -1.356 17.623 19.000 -0.034 0.000 0.831 203 A HN 1.797 nan 8.150 nan 0.000 0.444 204 G N -0.274 108.500 108.800 -0.044 0.000 3.391 204 G HA2 -0.153 3.812 3.960 0.007 0.000 0.683 204 G HA3 -0.153 3.812 3.960 0.007 0.000 0.683 204 G C -0.049 174.802 174.900 -0.082 0.000 1.071 204 G CA 0.103 45.160 45.100 -0.073 0.000 0.904 204 G HN 0.992 nan 8.290 nan 0.000 0.452 205 N N 0.771 119.434 118.700 -0.062 0.000 2.696 205 N HA -0.092 4.652 4.740 0.007 0.000 0.196 205 N C 0.544 176.015 175.510 -0.065 0.000 1.220 205 N CA 0.822 53.835 53.050 -0.061 0.000 0.940 205 N CB 0.565 39.024 38.487 -0.047 0.000 0.999 205 N HN 0.749 nan 8.380 nan 0.000 0.447 206 E N 1.290 121.444 120.200 -0.076 0.000 2.504 206 E HA 0.086 4.440 4.350 0.007 0.000 0.253 206 E C -0.739 175.804 176.600 -0.095 0.000 1.151 206 E CA -0.733 55.622 56.400 -0.075 0.000 0.972 206 E CB 0.574 30.235 29.700 -0.065 0.000 1.247 206 E HN 0.107 nan 8.360 nan 0.000 0.519 207 D N 0.701 121.049 120.400 -0.087 0.000 6.826 207 D HA -0.048 4.596 4.640 0.007 0.000 0.196 207 D C -0.667 175.566 176.300 -0.111 0.000 1.416 207 D CA 0.513 54.458 54.000 -0.092 0.000 0.858 207 D CB -0.135 40.612 40.800 -0.088 0.000 1.523 207 D HN 0.370 nan 8.370 nan 0.000 0.885 208 A N 1.844 124.596 122.820 -0.114 0.000 2.309 208 A HA 0.852 5.176 4.320 0.007 0.000 0.317 208 A C 0.964 178.461 177.584 -0.145 0.000 1.134 208 A CA 0.212 52.164 52.037 -0.141 0.000 0.866 208 A CB 2.004 20.915 19.000 -0.149 0.000 1.329 208 A HN 0.583 nan 8.150 nan 0.000 0.477 209 S N -1.735 113.849 115.700 -0.194 0.000 2.733 209 S HA -0.040 4.435 4.470 0.007 0.000 0.102 209 S C 0.585 175.003 174.600 -0.303 0.000 0.641 209 S CA 0.862 58.939 58.200 -0.205 0.000 1.568 209 S CB -1.394 61.725 63.200 -0.135 0.000 0.857 209 S HN 1.090 nan 8.310 nan 0.000 0.521 213 F N -1.036 118.595 119.950 -0.532 0.000 2.834 213 F HA 0.370 4.900 4.527 0.006 0.000 0.332 213 F C 0.856 176.403 175.800 -0.421 0.000 1.056 213 F CA -0.191 57.327 58.000 -0.803 0.000 1.178 213 F CB 0.954 39.528 39.000 -0.711 0.000 1.037 213 F HN -0.246 nan 8.300 nan 0.000 0.580 214 S N 2.161 117.729 115.700 -0.221 0.000 3.983 214 S HA 0.266 4.740 4.470 0.007 0.000 0.194 214 S C -0.309 173.624 174.600 -1.111 0.000 1.464 214 S CA -0.309 57.626 58.200 -0.442 0.000 1.021 214 S CB -1.407 61.789 63.200 -0.007 0.000 1.424 214 S HN 0.533 nan 8.310 nan 0.000 0.473 215 N N -1.379 116.542 118.700 -1.299 0.000 2.484 215 N HA 0.604 5.348 4.740 0.007 0.000 0.269 215 N C 0.450 175.562 175.510 -0.663 0.000 1.237 215 N CA -0.769 51.695 53.050 -0.977 0.000 0.838 215 N CB 0.619 38.861 38.487 -0.408 0.000 1.593 215 N HN -0.070 nan 8.380 nan 0.000 0.485 216 A N 0.372 123.003 122.820 -0.315 0.000 1.908 216 A HA -0.240 4.085 4.320 0.007 0.000 0.218 216 A C 1.664 179.178 177.584 -0.117 0.000 1.181 216 A CA 2.264 54.266 52.037 -0.060 0.000 0.627 216 A CB -1.152 17.776 19.000 -0.121 0.000 0.818 216 A HN 0.918 nan 8.150 nan 0.000 0.445 217 D N -2.041 118.185 120.400 -0.290 0.000 2.123 217 D HA -0.231 4.413 4.640 0.007 0.000 0.196 217 D C 1.732 178.087 176.300 0.090 0.000 0.992 217 D CA 1.690 55.625 54.000 -0.108 0.000 0.833 217 D CB -0.288 40.462 40.800 -0.083 0.000 0.954 217 D HN 0.528 nan 8.370 nan 0.000 0.455 218 Y N 0.626 120.921 120.300 -0.008 0.000 2.145 218 Y HA -0.115 4.438 4.550 0.006 0.000 0.286 218 Y C 2.251 178.208 175.900 0.095 0.000 1.145 218 Y CA 1.948 60.081 58.100 0.055 0.000 1.148 218 Y CB -0.682 37.799 38.460 0.035 0.000 0.981 218 Y HN 0.057 nan 8.280 nan 0.000 0.507 219 A N -0.593 122.352 122.820 0.209 0.000 1.883 219 A HA -0.209 4.115 4.320 0.007 0.000 0.217 219 A C 2.347 180.001 177.584 0.116 0.000 1.186 219 A CA 2.282 54.446 52.037 0.211 0.000 0.624 219 A CB -1.410 17.783 19.000 0.323 0.000 0.822 219 A HN 0.347 nan 8.150 nan 0.000 0.444 220 V N -0.197 119.785 119.914 0.114 0.000 2.261 220 V HA -0.240 3.884 4.120 0.007 0.000 0.246 220 V C 2.823 178.944 176.094 0.045 0.000 1.047 220 V CA 2.384 64.748 62.300 0.106 0.000 1.015 220 V CB -0.928 31.016 31.823 0.202 0.000 0.642 220 V HN 0.582 nan 8.190 nan 0.000 0.446 221 S N -1.173 114.538 115.700 0.018 0.000 2.365 221 S HA -0.274 4.200 4.470 0.007 0.000 0.225 221 S C 1.892 176.445 174.600 -0.078 0.000 1.039 221 S CA 2.160 60.336 58.200 -0.041 0.000 1.033 221 S CB -0.520 62.631 63.200 -0.082 0.000 0.887 221 S HN 0.643 nan 8.310 nan 0.000 0.447 222 Y N 1.837 121.945 120.300 -0.320 0.000 2.181 222 Y HA -0.109 4.444 4.550 0.006 0.000 0.288 222 Y C 2.307 178.117 175.900 -0.150 0.000 1.146 222 Y CA 1.261 59.186 58.100 -0.291 0.000 1.164 222 Y CB -0.373 37.874 38.460 -0.355 0.000 0.982 222 Y HN 0.138 nan 8.280 nan 0.000 0.515 223 M N -0.570 118.981 119.600 -0.081 0.000 2.117 223 M HA -0.216 4.269 4.480 0.007 0.000 0.262 223 M C 2.262 178.481 176.300 -0.136 0.000 1.065 223 M CA 1.482 56.704 55.300 -0.129 0.000 1.114 223 M CB -1.286 31.285 32.600 -0.048 0.000 1.361 223 M HN 0.344 nan 8.290 nan 0.000 0.408 224 L N -0.766 120.402 121.223 -0.092 0.000 2.093 224 L HA -0.191 4.153 4.340 0.007 0.000 0.208 224 L C 2.737 179.543 176.870 -0.107 0.000 1.085 224 L CA 1.084 55.878 54.840 -0.077 0.000 0.755 224 L CB -0.679 41.353 42.059 -0.045 0.000 0.904 224 L HN 0.343 nan 8.230 nan 0.000 0.435 225 R N 0.927 121.341 120.500 -0.144 0.000 2.115 225 R HA -0.115 4.230 4.340 0.007 0.000 0.226 225 R C 2.065 178.240 176.300 -0.208 0.000 1.100 225 R CA 1.085 57.092 56.100 -0.155 0.000 0.980 225 R CB -0.147 30.063 30.300 -0.150 0.000 0.875 225 R HN 0.354 nan 8.270 nan 0.000 0.445 226 L N -0.162 120.876 121.223 -0.308 0.000 2.551 226 L HA 0.088 4.432 4.340 0.007 0.000 0.228 226 L C 1.163 177.929 176.870 -0.173 0.000 1.153 226 L CA 0.930 55.595 54.840 -0.293 0.000 0.851 226 L CB 0.157 41.976 42.059 -0.400 0.000 0.959 226 L HN 0.700 nan 8.230 nan 0.000 0.451 227 G N -0.781 107.938 108.800 -0.136 0.000 2.192 227 G HA2 -0.159 3.805 3.960 0.007 0.000 0.193 227 G HA3 -0.159 3.805 3.960 0.007 0.000 0.193 227 G C 0.249 175.102 174.900 -0.079 0.000 0.999 227 G CA -0.205 44.838 45.100 -0.095 0.000 0.659 227 G HN 0.387 nan 8.290 nan 0.000 0.503 228 A N 0.977 123.748 122.820 -0.082 0.000 2.309 228 A HA 0.725 5.049 4.320 0.007 0.000 0.290 228 A C -1.976 175.585 177.584 -0.040 0.000 1.206 228 A CA -1.107 50.895 52.037 -0.057 0.000 0.850 228 A CB 0.411 19.377 19.000 -0.056 0.000 1.118 228 A HN 0.094 nan 8.150 nan 0.000 0.523 229 P HA 0.190 nan 4.420 nan 0.000 0.271 229 P C 0.934 178.232 177.300 -0.004 0.000 1.216 229 P CA 0.429 63.518 63.100 -0.019 0.000 0.771 229 P CB 1.209 32.900 31.700 -0.016 0.000 0.864 230 A N 4.430 127.247 122.820 -0.005 0.000 1.948 230 A HA -0.244 4.081 4.320 0.007 0.000 0.220 230 A C 1.665 179.261 177.584 0.020 0.000 1.177 230 A CA 2.095 54.136 52.037 0.008 0.000 0.636 230 A CB -1.246 17.755 19.000 0.001 0.000 0.815 230 A HN 0.701 nan 8.150 nan 0.000 0.449 231 N N -0.750 117.956 118.700 0.011 0.000 2.571 231 N HA -0.064 4.680 4.740 0.007 0.000 0.189 231 N C 0.794 176.324 175.510 0.034 0.000 1.154 231 N CA 1.162 54.219 53.050 0.012 0.000 0.907 231 N CB -0.193 38.291 38.487 -0.004 0.000 0.977 231 N HN 0.571 nan 8.380 nan 0.000 0.449 232 K N -0.563 119.865 120.400 0.047 0.000 2.440 232 K HA 0.288 4.612 4.320 0.007 0.000 0.207 232 K C -0.170 176.497 176.600 0.110 0.000 1.112 232 K CA -0.223 56.116 56.287 0.087 0.000 1.036 232 K CB 0.938 33.477 32.500 0.066 0.000 0.935 232 K HN 0.123 nan 8.250 nan 0.000 0.564 233 L N 2.101 123.370 121.223 0.078 0.000 2.292 233 L HA 0.306 4.650 4.340 0.007 0.000 0.284 233 L C -0.659 176.268 176.870 0.095 0.000 1.065 233 L CA -0.681 54.210 54.840 0.085 0.000 0.806 233 L CB 1.598 43.691 42.059 0.058 0.000 1.175 233 L HN -0.229 nan 8.230 nan 0.000 0.431 234 V N 5.077 125.062 119.914 0.118 0.000 2.483 234 V HA 0.326 4.450 4.120 0.007 0.000 0.297 234 V C 0.029 176.203 176.094 0.134 0.000 1.027 234 V CA -0.465 61.900 62.300 0.109 0.000 0.855 234 V CB 1.921 33.798 31.823 0.089 0.000 0.995 234 V HN 0.738 nan 8.190 nan 0.000 0.424 235 M N 3.688 123.367 119.600 0.131 0.000 2.146 235 M HA 0.512 4.996 4.480 0.007 0.000 0.357 235 M C 0.708 177.119 176.300 0.185 0.000 1.261 235 M CA -0.126 55.263 55.300 0.148 0.000 1.106 235 M CB 0.775 33.467 32.600 0.153 0.000 1.612 235 M HN 0.827 nan 8.290 nan 0.000 0.470 236 G N 6.130 115.056 108.800 0.209 0.000 2.380 236 G HA2 0.500 4.465 3.960 0.007 0.000 0.262 236 G HA3 0.500 4.465 3.960 0.007 0.000 0.262 236 G C -0.707 174.439 174.900 0.409 0.000 1.243 236 G CA -0.540 44.772 45.100 0.353 0.000 0.865 236 G HN 0.783 nan 8.290 nan 0.000 0.513 237 I N 3.731 124.543 120.570 0.403 0.000 2.418 237 I HA 0.237 4.411 4.170 0.007 0.000 0.287 237 I C -2.307 173.922 176.117 0.186 0.000 1.008 237 I CA -2.178 59.279 61.300 0.262 0.000 1.104 237 I CB 2.987 41.078 38.000 0.152 0.000 1.264 237 I HN 0.258 nan 8.210 nan 0.000 0.438 238 P HA 0.134 nan 4.420 nan 0.000 0.271 238 P C 0.144 177.370 177.300 -0.123 0.000 1.218 238 P CA 0.076 63.017 63.100 -0.264 0.000 0.780 238 P CB 0.855 32.289 31.700 -0.444 0.000 0.901 239 T N 0.770 115.303 114.554 -0.036 0.000 3.058 239 T HA 0.294 4.648 4.350 0.007 0.000 0.278 239 T C -0.198 174.608 174.700 0.177 0.000 0.974 239 T CA -0.113 62.031 62.100 0.073 0.000 0.893 239 T CB -0.315 68.643 68.868 0.149 0.000 1.138 239 T HN 0.331 nan 8.240 nan 0.000 0.529 240 F N -0.510 119.510 119.950 0.116 0.000 2.639 240 F HA 0.931 5.463 4.527 0.009 0.000 0.339 240 F C 0.185 176.059 175.800 0.123 0.000 1.071 240 F CA -1.578 56.470 58.000 0.080 0.000 0.994 240 F CB 0.612 39.633 39.000 0.035 0.000 1.341 240 F HN -0.098 nan 8.300 nan 0.000 0.498 241 G N -0.029 108.878 108.800 0.178 0.000 2.605 241 G HA2 0.653 4.617 3.960 0.007 0.000 0.296 241 G HA3 0.653 4.617 3.960 0.007 0.000 0.296 241 G C -1.796 173.085 174.900 -0.030 0.000 1.304 241 G CA -1.380 43.756 45.100 0.060 0.000 0.941 241 G HN 0.677 nan 8.290 nan 0.000 0.475 242 R N 0.116 120.485 120.500 -0.219 0.000 2.445 242 R HA 0.568 4.912 4.340 0.007 0.000 0.308 242 R C -0.292 175.829 176.300 -0.298 0.000 0.961 242 R CA -0.496 55.422 56.100 -0.304 0.000 0.862 242 R CB 1.936 31.978 30.300 -0.429 0.000 1.144 242 R HN 0.678 nan 8.270 nan 0.000 0.447 243 S N 2.188 117.642 115.700 -0.411 0.000 2.578 243 S HA 0.713 5.187 4.470 0.007 0.000 0.301 243 S C -0.596 173.689 174.600 -0.526 0.000 1.091 243 S CA -0.662 57.347 58.200 -0.319 0.000 1.032 243 S CB 1.188 64.248 63.200 -0.233 0.000 1.064 243 S HN 0.383 nan 8.310 nan 0.000 0.508 244 F N -0.260 119.768 119.950 0.129 0.000 2.599 244 F HA 0.487 5.017 4.527 0.006 0.000 0.311 244 F C 0.220 176.087 175.800 0.111 0.000 1.076 244 F CA -0.759 57.298 58.000 0.094 0.000 0.937 244 F CB 2.520 41.564 39.000 0.074 0.000 1.282 244 F HN 0.498 nan 8.300 nan 0.000 0.460 245 T N 3.850 118.562 114.554 0.265 0.000 2.733 245 T HA 0.488 4.842 4.350 0.007 0.000 0.294 245 T C -0.040 174.751 174.700 0.152 0.000 0.956 245 T CA -0.512 61.696 62.100 0.180 0.000 0.987 245 T CB 0.279 69.216 68.868 0.116 0.000 0.920 245 T HN 0.280 nan 8.240 nan 0.000 0.470 246 L N 2.210 123.520 121.223 0.145 0.000 2.461 246 L HA 0.343 4.687 4.340 0.007 0.000 0.272 246 L C 1.452 178.349 176.870 0.044 0.000 1.197 246 L CA -0.409 54.474 54.840 0.072 0.000 0.836 246 L CB 0.399 42.517 42.059 0.099 0.000 1.105 246 L HN 0.753 nan 8.230 nan 0.000 0.477 247 A N 1.363 124.186 122.820 0.004 0.000 2.267 247 A HA 0.243 4.567 4.320 0.007 0.000 0.213 247 A C 0.719 178.307 177.584 0.006 0.000 1.192 247 A CA 0.674 52.713 52.037 0.005 0.000 0.851 247 A CB 0.033 19.025 19.000 -0.015 0.000 0.881 247 A HN 0.733 nan 8.150 nan 0.000 0.494 248 S N -1.852 113.853 115.700 0.008 0.000 2.688 248 S HA 0.359 4.833 4.470 0.007 0.000 0.275 248 S C 0.607 175.227 174.600 0.033 0.000 1.175 248 S CA 0.468 58.676 58.200 0.014 0.000 0.818 248 S CB 0.606 63.804 63.200 -0.003 0.000 1.157 248 S HN 0.622 nan 8.310 nan 0.000 0.482 249 S N -0.127 115.595 115.700 0.036 0.000 2.607 249 S HA 0.154 4.628 4.470 0.007 0.000 0.224 249 S C 0.579 175.217 174.600 0.064 0.000 0.969 249 S CA -0.044 58.189 58.200 0.056 0.000 0.927 249 S CB -0.509 62.720 63.200 0.048 0.000 0.772 249 S HN 0.701 nan 8.310 nan 0.000 0.533 250 K N 1.298 121.721 120.400 0.039 0.000 2.249 250 K HA 0.230 4.554 4.320 0.007 0.000 0.280 250 K C -0.194 176.439 176.600 0.055 0.000 1.033 250 K CA 0.168 56.476 56.287 0.035 0.000 0.946 250 K CB 0.713 33.210 32.500 -0.006 0.000 1.005 250 K HN 0.084 nan 8.250 nan 0.000 0.469 251 T N 1.935 116.555 114.554 0.110 0.000 2.975 251 T HA 0.023 4.378 4.350 0.007 0.000 0.257 251 T C -0.625 174.199 174.700 0.208 0.000 1.003 251 T CA -0.148 62.093 62.100 0.235 0.000 0.932 251 T CB 0.126 69.226 68.868 0.387 0.000 1.087 251 T HN 0.723 nan 8.240 nan 0.000 0.512 252 D N 1.326 121.777 120.400 0.086 0.000 2.411 252 D HA 0.368 5.012 4.640 0.007 0.000 0.251 252 D C 0.063 176.346 176.300 -0.028 0.000 1.201 252 D CA -0.751 53.289 54.000 0.067 0.000 0.996 252 D CB 0.138 40.971 40.800 0.053 0.000 1.101 252 D HN -0.087 nan 8.370 nan 0.000 0.504 253 V N 0.464 120.400 119.914 0.036 0.000 2.839 253 V HA 0.205 4.329 4.120 0.007 0.000 0.296 253 V C 1.843 177.864 176.094 -0.122 0.000 1.239 253 V CA 1.430 63.711 62.300 -0.032 0.000 1.349 253 V CB -0.577 31.259 31.823 0.022 0.000 0.852 253 V HN 1.041 nan 8.190 nan 0.000 0.504 254 G N 2.747 111.422 108.800 -0.208 0.000 2.225 254 G HA2 -0.094 3.870 3.960 0.007 0.000 0.254 254 G HA3 -0.094 3.870 3.960 0.007 0.000 0.254 254 G C 0.526 175.293 174.900 -0.221 0.000 0.988 254 G CA 0.008 44.992 45.100 -0.193 0.000 0.625 254 G HN 2.065 nan 8.290 nan 0.000 0.527 255 A N 1.363 124.024 122.820 -0.265 0.000 2.591 255 A HA 0.473 4.797 4.320 0.007 0.000 0.244 255 A C -1.185 176.234 177.584 -0.276 0.000 1.031 255 A CA 0.442 52.328 52.037 -0.251 0.000 0.767 255 A CB -0.147 18.676 19.000 -0.295 0.000 0.942 255 A HN 0.271 nan 8.150 nan 0.000 0.514 256 P HA 0.185 nan 4.420 nan 0.000 0.264 256 P C -0.417 176.781 177.300 -0.170 0.000 1.183 256 P CA 0.227 63.237 63.100 -0.149 0.000 0.763 256 P CB 0.627 32.274 31.700 -0.088 0.000 0.807 257 V N 2.358 122.171 119.914 -0.168 0.000 2.919 257 V HA 0.384 4.508 4.120 0.007 0.000 0.316 257 V C 1.016 177.085 176.094 -0.042 0.000 1.077 257 V CA 0.186 62.405 62.300 -0.134 0.000 0.977 257 V CB 1.968 33.649 31.823 -0.237 0.000 1.039 257 V HN 0.611 nan 8.190 nan 0.000 0.441 258 S N 1.307 117.017 115.700 0.016 0.000 2.604 258 S HA 0.564 5.038 4.470 0.007 0.000 0.235 258 S C 0.314 174.947 174.600 0.055 0.000 1.043 258 S CA 0.659 58.877 58.200 0.030 0.000 0.997 258 S CB 0.386 63.605 63.200 0.033 0.000 0.956 258 S HN 1.776 nan 8.310 nan 0.000 0.535 259 G N 0.705 109.561 108.800 0.094 0.000 2.359 259 G HA2 0.336 4.300 3.960 0.007 0.000 0.293 259 G HA3 0.336 4.300 3.960 0.007 0.000 0.293 259 G C -3.516 171.465 174.900 0.134 0.000 1.300 259 G CA -0.784 44.377 45.100 0.101 0.000 0.888 259 G HN 0.125 nan 8.290 nan 0.000 0.541 260 P HA 0.396 nan 4.420 nan 0.000 0.271 260 P C 0.717 178.006 177.300 -0.017 0.000 1.244 260 P CA 0.634 63.708 63.100 -0.043 0.000 0.793 260 P CB 0.541 32.202 31.700 -0.065 0.000 0.984 261 G N 0.048 108.797 108.800 -0.086 0.000 2.476 261 G HA2 0.309 4.273 3.960 0.007 0.000 0.269 261 G HA3 0.309 4.273 3.960 0.007 0.000 0.269 261 G C -0.463 174.421 174.900 -0.027 0.000 1.195 261 G CA -0.415 44.666 45.100 -0.031 0.000 0.843 261 G HN 0.371 nan 8.290 nan 0.000 0.545 262 V N 3.292 123.212 119.914 0.010 0.000 2.599 262 V HA 0.045 4.169 4.120 0.007 0.000 0.300 262 V C -1.334 174.757 176.094 -0.005 0.000 1.034 262 V CA -0.625 61.683 62.300 0.015 0.000 1.115 262 V CB 0.948 32.797 31.823 0.044 0.000 0.934 262 V HN 0.593 nan 8.190 nan 0.000 0.485 263 P HA 0.059 nan 4.420 nan 0.000 0.267 263 P C 0.175 177.471 177.300 -0.005 0.000 1.195 263 P CA 0.416 63.508 63.100 -0.013 0.000 0.773 263 P CB 0.355 32.052 31.700 -0.004 0.000 0.837 264 G N 1.078 109.874 108.800 -0.007 0.000 2.476 264 G HA2 0.121 4.085 3.960 0.007 0.000 0.286 264 G HA3 0.121 4.085 3.960 0.007 0.000 0.286 264 G C 0.843 175.748 174.900 0.009 0.000 1.177 264 G CA -0.516 44.591 45.100 0.012 0.000 0.870 264 G HN 0.489 nan 8.290 nan 0.000 0.528 265 R N 0.530 121.012 120.500 -0.030 0.000 2.105 265 R HA -0.083 4.262 4.340 0.007 0.000 0.239 265 R C 1.398 177.530 176.300 -0.280 0.000 1.135 265 R CA 1.595 57.568 56.100 -0.213 0.000 0.967 265 R CB -0.168 29.888 30.300 -0.406 0.000 0.861 265 R HN 0.600 nan 8.270 nan 0.000 0.442 266 F N -1.022 118.998 119.950 0.116 0.000 2.383 266 F HA 0.045 4.577 4.527 0.007 0.000 0.287 266 F C 2.551 178.433 175.800 0.136 0.000 1.069 266 F CA 1.037 59.135 58.000 0.163 0.000 1.402 266 F CB -0.177 38.998 39.000 0.290 0.000 1.116 266 F HN 0.059 nan 8.300 nan 0.000 0.549 267 T N -2.607 112.098 114.554 0.252 0.000 3.043 267 T HA 0.011 4.366 4.350 0.007 0.000 0.263 267 T C 1.002 175.770 174.700 0.113 0.000 1.094 267 T CA 0.269 62.465 62.100 0.160 0.000 1.127 267 T CB -0.387 68.517 68.868 0.060 0.000 0.905 267 T HN 0.101 nan 8.240 nan 0.000 0.490 268 K N 1.141 121.587 120.400 0.078 0.000 3.012 268 K HA -0.184 4.141 4.320 0.007 0.000 0.259 268 K C -0.259 176.355 176.600 0.024 0.000 0.989 268 K CA 0.756 57.070 56.287 0.046 0.000 0.728 268 K CB -1.237 31.299 32.500 0.061 0.000 1.260 268 K HN 0.716 nan 8.250 nan 0.000 0.480 269 E N 1.078 121.280 120.200 0.004 0.000 2.241 269 E HA 0.161 4.515 4.350 0.007 0.000 0.263 269 E C -0.919 175.655 176.600 -0.044 0.000 0.882 269 E CA -0.908 55.478 56.400 -0.024 0.000 0.769 269 E CB 0.980 30.657 29.700 -0.037 0.000 1.185 269 E HN 0.072 nan 8.360 nan 0.000 0.415 270 K N 1.823 122.197 120.400 -0.042 0.000 2.448 270 K HA 0.237 4.561 4.320 0.007 0.000 0.278 270 K C 0.823 177.371 176.600 -0.087 0.000 1.009 270 K CA 0.689 56.945 56.287 -0.051 0.000 0.995 270 K CB 0.571 33.053 32.500 -0.030 0.000 0.917 270 K HN 0.850 nan 8.250 nan 0.000 0.481 271 G N 1.931 110.653 108.800 -0.130 0.000 2.195 271 G HA2 -0.249 3.716 3.960 0.007 0.000 0.246 271 G HA3 -0.249 3.716 3.960 0.007 0.000 0.246 271 G C -0.030 174.741 174.900 -0.215 0.000 0.984 271 G CA 0.212 45.183 45.100 -0.214 0.000 0.633 271 G HN 0.736 nan 8.290 nan 0.000 0.525 272 I N -1.018 119.462 120.570 -0.150 0.000 2.913 272 I HA 0.789 4.964 4.170 0.007 0.000 0.302 272 I C -1.546 174.515 176.117 -0.093 0.000 1.246 272 I CA -1.511 59.722 61.300 -0.111 0.000 1.010 272 I CB 2.027 39.953 38.000 -0.123 0.000 1.259 272 I HN 0.000 nan 8.210 nan 0.000 0.434 273 L N 5.368 126.551 121.223 -0.066 0.000 2.422 273 L HA 0.726 5.070 4.340 0.007 0.000 0.264 273 L C 0.151 176.967 176.870 -0.089 0.000 0.984 273 L CA -0.697 54.075 54.840 -0.114 0.000 0.819 273 L CB 1.937 43.881 42.059 -0.192 0.000 1.330 273 L HN 0.831 nan 8.230 nan 0.000 0.410 274 A N 0.908 123.577 122.820 -0.252 0.000 2.346 274 A HA 0.131 4.456 4.320 0.007 0.000 0.252 274 A C 0.371 177.788 177.584 -0.278 0.000 1.089 274 A CA 0.136 51.966 52.037 -0.345 0.000 0.797 274 A CB 0.091 18.498 19.000 -0.989 0.000 1.047 274 A HN 0.771 nan 8.150 nan 0.000 0.494 275 Y N 1.097 121.271 120.300 -0.210 0.000 2.224 275 Y HA -0.286 4.269 4.550 0.008 0.000 0.289 275 Y C 1.982 177.798 175.900 -0.141 0.000 1.146 275 Y CA 2.646 60.685 58.100 -0.102 0.000 1.182 275 Y CB -0.646 37.830 38.460 0.026 0.000 0.983 275 Y HN 0.807 nan 8.280 nan 0.000 0.524 276 Y N -1.011 119.142 120.300 -0.246 0.000 2.352 276 Y HA -0.032 4.522 4.550 0.007 0.000 0.292 276 Y C 1.829 177.434 175.900 -0.492 0.000 1.136 276 Y CA 1.211 59.005 58.100 -0.510 0.000 1.227 276 Y CB -1.158 36.798 38.460 -0.840 0.000 0.991 276 Y HN 0.152 nan 8.280 nan 0.000 0.545 277 E N 0.721 120.627 120.200 -0.491 0.000 2.158 277 E HA -0.039 4.316 4.350 0.007 0.000 0.191 277 E C 2.034 178.554 176.600 -0.134 0.000 0.982 277 E CA 1.047 57.331 56.400 -0.194 0.000 0.823 277 E CB -0.143 29.438 29.700 -0.198 0.000 0.766 277 E HN 0.550 nan 8.360 nan 0.000 0.468 278 I N 0.631 121.038 120.570 -0.272 0.000 2.315 278 I HA -0.288 3.887 4.170 0.007 0.000 0.248 278 I C 2.210 178.149 176.117 -0.298 0.000 1.117 278 I CA 0.515 61.634 61.300 -0.302 0.000 1.404 278 I CB -0.140 37.606 38.000 -0.423 0.000 1.071 278 I HN 0.239 nan 8.210 nan 0.000 0.419 279 c N 0.392 118.751 118.600 -0.403 0.000 2.425 279 c HA -0.195 4.379 4.570 0.007 0.000 0.277 279 c C 2.539 176.498 174.090 -0.219 0.000 1.280 279 c CA 1.335 57.455 56.329 -0.348 0.000 1.744 279 c CB -0.945 41.383 42.510 -0.302 0.000 1.989 279 c HN 0.555 nan 8.230 nan 0.000 0.491 280 D N -0.386 120.003 120.400 -0.019 0.000 2.137 280 D HA -0.122 4.523 4.640 0.007 0.000 0.202 280 D C 1.838 178.173 176.300 0.058 0.000 0.970 280 D CA 0.792 54.869 54.000 0.127 0.000 0.837 280 D CB -0.380 40.586 40.800 0.276 0.000 0.981 280 D HN 0.457 nan 8.370 nan 0.000 0.475 281 F N 0.370 120.254 119.950 -0.111 0.000 2.202 281 F HA -0.139 4.392 4.527 0.007 0.000 0.301 281 F C 1.737 177.435 175.800 -0.171 0.000 1.082 281 F CA 0.798 58.725 58.000 -0.121 0.000 1.313 281 F CB -0.072 38.831 39.000 -0.162 0.000 1.024 281 F HN -0.006 nan 8.300 nan 0.000 0.495 282 L N 0.295 121.417 121.223 -0.169 0.000 2.191 282 L HA -0.178 4.166 4.340 0.007 0.000 0.212 282 L C 0.772 177.457 176.870 -0.309 0.000 1.103 282 L CA 1.107 55.782 54.840 -0.275 0.000 0.769 282 L CB -1.533 40.349 42.059 -0.295 0.000 0.908 282 L HN 0.081 nan 8.230 nan 0.000 0.438 283 H N 0.204 119.182 119.070 -0.153 0.000 3.082 283 H HA 0.322 4.882 4.556 0.008 0.000 0.275 283 H C 1.449 176.666 175.328 -0.185 0.000 1.032 283 H CA 0.724 56.693 56.048 -0.132 0.000 1.477 283 H CB -0.093 29.618 29.762 -0.086 0.000 1.520 283 H HN 0.306 nan 8.280 nan 0.000 0.521 284 G N 2.122 110.888 108.800 -0.055 0.000 2.175 284 G HA2 -0.198 3.766 3.960 0.007 0.000 0.244 284 G HA3 -0.198 3.766 3.960 0.007 0.000 0.244 284 G C 0.425 175.218 174.900 -0.178 0.000 0.982 284 G CA 0.027 45.063 45.100 -0.106 0.000 0.641 284 G HN 0.901 nan 8.290 nan 0.000 0.527 285 A N -0.344 122.332 122.820 -0.241 0.000 2.281 285 A HA 0.859 5.183 4.320 0.007 0.000 0.329 285 A C 0.348 177.825 177.584 -0.178 0.000 1.122 285 A CA 0.492 52.371 52.037 -0.263 0.000 0.850 285 A CB 0.959 19.717 19.000 -0.403 0.000 1.207 285 A HN 0.689 nan 8.150 nan 0.000 0.495 286 T N 1.860 116.313 114.554 -0.167 0.000 2.749 286 T HA 0.524 4.878 4.350 0.007 0.000 0.287 286 T C 0.264 174.718 174.700 -0.411 0.000 0.970 286 T CA -0.034 61.913 62.100 -0.256 0.000 0.980 286 T CB 0.640 69.381 68.868 -0.212 0.000 0.924 286 T HN 0.862 nan 8.240 nan 0.000 0.456 287 T N 1.567 115.857 114.554 -0.440 0.000 2.867 287 T HA 0.607 4.962 4.350 0.007 0.000 0.282 287 T C -0.626 173.658 174.700 -0.694 0.000 1.000 287 T CA -0.842 60.998 62.100 -0.433 0.000 1.042 287 T CB 1.025 69.789 68.868 -0.175 0.000 0.973 287 T HN 0.561 nan 8.240 nan 0.000 0.465 288 H N 0.978 119.722 119.070 -0.544 0.000 2.941 288 H HA 0.709 5.268 4.556 0.006 0.000 0.344 288 H C -0.599 174.366 175.328 -0.604 0.000 1.235 288 H CA -0.943 54.700 56.048 -0.675 0.000 1.149 288 H CB 2.269 31.285 29.762 -1.244 0.000 1.885 288 H HN 0.679 nan 8.280 nan 0.000 0.558 289 R N 0.862 121.218 120.500 -0.240 0.000 2.548 289 R HA 0.269 4.614 4.340 0.007 0.000 0.280 289 R C -1.533 174.762 176.300 -0.010 0.000 1.061 289 R CA -0.636 55.383 56.100 -0.135 0.000 0.915 289 R CB 1.285 31.550 30.300 -0.058 0.000 1.210 289 R HN 0.220 nan 8.270 nan 0.000 0.442 290 F N 5.018 125.078 119.950 0.184 0.000 2.471 290 F HA 0.244 4.774 4.527 0.005 0.000 0.365 290 F C 1.764 177.606 175.800 0.071 0.000 1.095 290 F CA -0.396 57.692 58.000 0.146 0.000 1.174 290 F CB 0.876 39.950 39.000 0.123 0.000 1.105 290 F HN 0.404 nan 8.300 nan 0.000 0.535 291 R N 1.645 122.291 120.500 0.244 0.000 2.070 291 R HA -0.137 4.207 4.340 0.007 0.000 0.233 291 R C 1.062 177.433 176.300 0.119 0.000 1.137 291 R CA 1.535 57.717 56.100 0.138 0.000 0.945 291 R CB -0.388 29.970 30.300 0.097 0.000 0.845 291 R HN 0.507 nan 8.270 nan 0.000 0.430 292 D N 1.286 121.753 120.400 0.111 0.000 2.117 292 D HA -0.117 4.527 4.640 0.007 0.000 0.198 292 D C 2.040 178.407 176.300 0.111 0.000 0.982 292 D CA 1.237 55.274 54.000 0.061 0.000 0.828 292 D CB -0.103 40.706 40.800 0.016 0.000 0.967 292 D HN 0.365 nan 8.370 nan 0.000 0.464 293 Q N -0.079 119.781 119.800 0.099 0.000 2.378 293 Q HA 0.029 4.373 4.340 0.007 0.000 0.205 293 Q C 0.051 176.094 176.000 0.071 0.000 0.954 293 Q CA 0.159 55.995 55.803 0.056 0.000 0.901 293 Q CB 0.212 28.898 28.738 -0.087 0.000 0.981 293 Q HN 0.250 nan 8.270 nan 0.000 0.483 294 Q N -0.707 119.167 119.800 0.124 0.000 2.487 294 Q HA -0.140 4.204 4.340 0.007 0.000 0.279 294 Q C -0.940 175.050 176.000 -0.016 0.000 1.228 294 Q CA 0.621 56.472 55.803 0.080 0.000 0.873 294 Q CB -2.415 26.399 28.738 0.126 0.000 1.260 294 Q HN 0.305 nan 8.270 nan 0.000 0.471 295 V N -3.793 116.109 119.914 -0.020 0.000 2.925 295 V HA 0.874 4.998 4.120 0.007 0.000 0.311 295 V C -2.571 173.506 176.094 -0.029 0.000 1.104 295 V CA -2.218 59.989 62.300 -0.155 0.000 0.954 295 V CB 2.423 33.878 31.823 -0.613 0.000 1.022 295 V HN -0.056 nan 8.190 nan 0.000 0.427 296 P HA 0.627 nan 4.420 nan 0.000 0.283 296 P C -1.913 175.316 177.300 -0.119 0.000 1.278 296 P CA -0.373 62.586 63.100 -0.234 0.000 0.834 296 P CB 1.711 33.118 31.700 -0.488 0.000 1.150 297 Y N -2.552 117.618 120.300 -0.218 0.000 2.609 297 Y HA 0.813 5.367 4.550 0.006 0.000 0.336 297 Y C -1.961 173.881 175.900 -0.096 0.000 1.129 297 Y CA -1.437 56.525 58.100 -0.229 0.000 1.040 297 Y CB 0.651 38.712 38.460 -0.665 0.000 1.310 297 Y HN 0.664 nan 8.280 nan 0.000 0.460 298 A N 1.054 123.829 122.820 -0.075 0.000 2.515 298 A HA 0.946 5.270 4.320 0.007 0.000 0.296 298 A C -1.258 176.335 177.584 0.015 0.000 1.094 298 A CA -0.645 51.359 52.037 -0.055 0.000 0.718 298 A CB 1.684 20.741 19.000 0.095 0.000 1.307 298 A HN 0.980 nan 8.150 nan 0.000 0.408 299 T N 0.544 115.165 114.554 0.110 0.000 2.916 299 T HA 0.711 5.065 4.350 0.007 0.000 0.305 299 T C -0.903 173.879 174.700 0.137 0.000 1.119 299 T CA -0.755 61.485 62.100 0.233 0.000 1.008 299 T CB 1.794 70.845 68.868 0.305 0.000 1.129 299 T HN 0.679 nan 8.240 nan 0.000 0.480 300 K N 1.092 121.598 120.400 0.177 0.000 2.588 300 K HA 0.504 4.828 4.320 0.007 0.000 0.250 300 K C 0.707 177.362 176.600 0.091 0.000 0.972 300 K CA 0.140 56.419 56.287 -0.015 0.000 0.821 300 K CB 1.333 33.606 32.500 -0.378 0.000 1.249 300 K HN 0.995 nan 8.250 nan 0.000 0.442 301 G N 3.795 112.633 108.800 0.063 0.000 2.629 301 G HA2 -0.405 3.559 3.960 0.007 0.000 0.313 301 G HA3 -0.405 3.559 3.960 0.007 0.000 0.313 301 G C 0.132 175.111 174.900 0.132 0.000 1.217 301 G CA 0.784 45.934 45.100 0.083 0.000 0.994 301 G HN 0.829 nan 8.290 nan 0.000 0.549 302 N N 1.069 119.853 118.700 0.141 0.000 2.273 302 N HA 0.195 4.940 4.740 0.007 0.000 0.231 302 N C 0.069 175.710 175.510 0.218 0.000 1.134 302 N CA 0.303 53.449 53.050 0.161 0.000 0.856 302 N CB 0.560 39.117 38.487 0.117 0.000 1.068 302 N HN 0.572 nan 8.380 nan 0.000 0.510 303 Q N 0.361 120.326 119.800 0.274 0.000 2.293 303 Q HA 0.254 4.598 4.340 0.007 0.000 0.261 303 Q C -1.479 174.783 176.000 0.437 0.000 0.960 303 Q CA -0.247 55.756 55.803 0.332 0.000 0.882 303 Q CB 1.822 30.779 28.738 0.365 0.000 1.275 303 Q HN 0.428 nan 8.270 nan 0.000 0.445 304 W N 3.317 124.742 121.300 0.208 0.000 2.538 304 W HA 0.543 5.206 4.660 0.006 0.000 0.322 304 W C -1.291 175.334 176.519 0.176 0.000 1.028 304 W CA -0.536 56.955 57.345 0.244 0.000 1.228 304 W CB 1.196 30.799 29.460 0.237 0.000 1.356 304 W HN 0.273 nan 8.180 nan 0.000 0.452 305 V N 5.592 125.388 119.914 -0.197 0.000 2.487 305 V HA 0.722 4.847 4.120 0.007 0.000 0.298 305 V C -0.064 175.879 176.094 -0.252 0.000 1.028 305 V CA -1.030 61.136 62.300 -0.224 0.000 0.860 305 V CB 1.214 32.740 31.823 -0.495 0.000 0.991 305 V HN 0.654 nan 8.190 nan 0.000 0.427 306 A N 5.498 128.291 122.820 -0.046 0.000 2.260 306 A HA 0.889 5.213 4.320 0.007 0.000 0.314 306 A C -0.833 176.818 177.584 0.110 0.000 1.257 306 A CA -0.316 51.669 52.037 -0.087 0.000 0.871 306 A CB 0.394 19.373 19.000 -0.035 0.000 1.166 306 A HN 1.147 nan 8.150 nan 0.000 0.522 307 Y N -0.225 120.080 120.300 0.008 0.000 2.896 307 Y HA 0.769 5.325 4.550 0.009 0.000 0.317 307 Y C -1.211 174.828 175.900 0.231 0.000 1.444 307 Y CA -1.758 56.422 58.100 0.132 0.000 1.084 307 Y CB 0.894 39.401 38.460 0.079 0.000 1.382 307 Y HN 0.433 nan 8.280 nan 0.000 0.471 308 D N 1.197 121.667 120.400 0.117 0.000 2.649 308 D HA 0.276 4.921 4.640 0.007 0.000 0.249 308 D C -1.520 174.802 176.300 0.036 0.000 1.112 308 D CA -0.246 53.731 54.000 -0.038 0.000 0.850 308 D CB 2.315 43.097 40.800 -0.030 0.000 1.399 308 D HN 0.704 nan 8.370 nan 0.000 0.503 309 D N 0.037 120.417 120.400 -0.033 0.000 2.621 309 D HA 0.109 4.754 4.640 0.007 0.000 0.255 309 D C 1.006 177.293 176.300 -0.021 0.000 1.122 309 D CA -0.450 53.597 54.000 0.079 0.000 1.096 309 D CB 0.759 41.687 40.800 0.213 0.000 1.282 309 D HN 0.134 nan 8.370 nan 0.000 0.619 310 Q N -0.705 119.104 119.800 0.015 0.000 2.152 310 Q HA -0.258 4.087 4.340 0.007 0.000 0.206 310 Q C 1.661 177.665 176.000 0.005 0.000 0.985 310 Q CA 2.149 57.954 55.803 0.003 0.000 0.863 310 Q CB -0.101 28.664 28.738 0.046 0.000 0.904 310 Q HN 0.717 nan 8.270 nan 0.000 0.422 311 E N 0.452 120.661 120.200 0.015 0.000 2.072 311 E HA -0.168 4.187 4.350 0.007 0.000 0.191 311 E C 2.008 178.604 176.600 -0.007 0.000 0.985 311 E CA 1.611 58.016 56.400 0.009 0.000 0.801 311 E CB -0.059 29.649 29.700 0.014 0.000 0.750 311 E HN 0.301 nan 8.360 nan 0.000 0.452 312 S N -0.345 115.336 115.700 -0.032 0.000 2.402 312 S HA -0.088 4.387 4.470 0.007 0.000 0.229 312 S C 2.118 176.693 174.600 -0.041 0.000 1.021 312 S CA 1.009 59.179 58.200 -0.050 0.000 0.974 312 S CB -0.353 62.790 63.200 -0.094 0.000 0.800 312 S HN 0.166 nan 8.310 nan 0.000 0.484 313 V N 2.037 121.929 119.914 -0.037 0.000 2.453 313 V HA -0.061 4.064 4.120 0.007 0.000 0.247 313 V C 2.631 178.721 176.094 -0.007 0.000 1.048 313 V CA 1.724 64.009 62.300 -0.025 0.000 1.049 313 V CB -0.538 31.262 31.823 -0.039 0.000 0.672 313 V HN 0.503 nan 8.190 nan 0.000 0.457 314 K N -0.120 120.278 120.400 -0.003 0.000 2.097 314 K HA -0.142 4.183 4.320 0.007 0.000 0.205 314 K C 2.095 178.704 176.600 0.015 0.000 1.050 314 K CA 1.262 57.553 56.287 0.005 0.000 0.938 314 K CB -0.282 32.225 32.500 0.011 0.000 0.718 314 K HN 0.468 nan 8.250 nan 0.000 0.442 315 N N 1.354 120.065 118.700 0.018 0.000 2.084 315 N HA -0.174 4.570 4.740 0.007 0.000 0.190 315 N C 1.541 177.078 175.510 0.045 0.000 1.030 315 N CA 1.334 54.407 53.050 0.038 0.000 0.849 315 N CB 0.143 38.646 38.487 0.027 0.000 1.012 315 N HN 0.131 nan 8.380 nan 0.000 0.423 316 K N 0.489 120.893 120.400 0.007 0.000 2.097 316 K HA -0.061 4.264 4.320 0.007 0.000 0.206 316 K C 2.086 178.734 176.600 0.079 0.000 1.049 316 K CA 1.178 57.472 56.287 0.013 0.000 0.933 316 K CB -0.106 32.385 32.500 -0.015 0.000 0.717 316 K HN 0.186 nan 8.250 nan 0.000 0.442 317 A N 1.451 124.292 122.820 0.035 0.000 1.933 317 A HA -0.160 4.164 4.320 0.007 0.000 0.218 317 A C 2.011 179.581 177.584 -0.023 0.000 1.175 317 A CA 1.237 53.271 52.037 -0.004 0.000 0.628 317 A CB -0.317 18.663 19.000 -0.033 0.000 0.814 317 A HN 0.198 nan 8.150 nan 0.000 0.444 318 R N -2.221 118.289 120.500 0.017 0.000 2.075 318 R HA -0.122 4.223 4.340 0.007 0.000 0.232 318 R C 2.154 178.479 176.300 0.042 0.000 1.126 318 R CA 1.563 57.671 56.100 0.014 0.000 0.963 318 R CB -0.522 29.806 30.300 0.047 0.000 0.858 318 R HN 0.707 nan 8.270 nan 0.000 0.435 319 Y N 2.475 122.768 120.300 -0.013 0.000 2.128 319 Y HA -0.219 4.333 4.550 0.004 0.000 0.284 319 Y C 2.094 177.990 175.900 -0.006 0.000 1.154 319 Y CA 1.618 59.718 58.100 0.001 0.000 1.149 319 Y CB -0.203 38.226 38.460 -0.051 0.000 0.976 319 Y HN 0.021 nan 8.280 nan 0.000 0.505 320 L N -0.238 121.003 121.223 0.030 0.000 2.217 320 L HA -0.090 4.254 4.340 0.007 0.000 0.211 320 L C 1.799 178.613 176.870 -0.094 0.000 1.107 320 L CA 1.770 56.581 54.840 -0.049 0.000 0.783 320 L CB -0.951 41.151 42.059 0.072 0.000 0.919 320 L HN 0.253 nan 8.230 nan 0.000 0.442 321 K N 0.551 120.878 120.400 -0.123 0.000 2.057 321 K HA -0.101 4.223 4.320 0.007 0.000 0.206 321 K C 1.861 178.442 176.600 -0.032 0.000 1.050 321 K CA 1.333 57.559 56.287 -0.102 0.000 0.935 321 K CB -0.100 32.291 32.500 -0.181 0.000 0.715 321 K HN 0.415 nan 8.250 nan 0.000 0.439 322 N N 0.932 119.575 118.700 -0.095 0.000 2.289 322 N HA -0.129 4.615 4.740 0.007 0.000 0.184 322 N C 1.263 176.688 175.510 -0.141 0.000 1.016 322 N CA 0.991 53.981 53.050 -0.099 0.000 0.872 322 N CB -0.005 38.421 38.487 -0.102 0.000 0.973 322 N HN 0.159 nan 8.380 nan 0.000 0.433 323 R N 0.694 121.057 120.500 -0.229 0.000 2.359 323 R HA 0.158 4.502 4.340 0.007 0.000 0.231 323 R C -0.170 176.087 176.300 -0.073 0.000 0.913 323 R CA -0.028 55.955 56.100 -0.194 0.000 1.075 323 R CB 0.218 30.320 30.300 -0.331 0.000 1.087 323 R HN 0.225 nan 8.270 nan 0.000 0.515 324 Q N 0.656 120.448 119.800 -0.014 0.000 2.468 324 Q HA -0.192 4.153 4.340 0.007 0.000 0.289 324 Q C -0.618 175.424 176.000 0.071 0.000 1.299 324 Q CA 0.426 56.264 55.803 0.057 0.000 0.838 324 Q CB -1.578 27.173 28.738 0.021 0.000 1.195 324 Q HN 0.385 nan 8.270 nan 0.000 0.456 325 L N -1.197 120.081 121.223 0.090 0.000 2.475 325 L HA 0.331 4.675 4.340 0.007 0.000 0.253 325 L C 1.687 178.648 176.870 0.151 0.000 1.198 325 L CA 0.411 55.306 54.840 0.092 0.000 0.814 325 L CB 0.165 42.272 42.059 0.078 0.000 1.134 325 L HN 0.291 nan 8.230 nan 0.000 0.478 326 A N 0.586 123.466 122.820 0.100 0.000 2.015 326 A HA 0.303 4.628 4.320 0.007 0.000 0.219 326 A C 0.946 178.624 177.584 0.157 0.000 1.163 326 A CA 1.442 53.527 52.037 0.079 0.000 0.646 326 A CB -0.362 18.654 19.000 0.026 0.000 0.806 326 A HN 0.982 nan 8.150 nan 0.000 0.448 327 G N -3.011 105.881 108.800 0.153 0.000 2.367 327 G HA2 0.583 4.548 3.960 0.007 0.000 0.272 327 G HA3 0.583 4.548 3.960 0.007 0.000 0.272 327 G C -1.010 173.932 174.900 0.071 0.000 1.271 327 G CA -0.039 45.144 45.100 0.137 0.000 0.893 327 G HN 1.189 nan 8.290 nan 0.000 0.485 328 A N -0.484 122.366 122.820 0.050 0.000 2.384 328 A HA 0.886 5.210 4.320 0.007 0.000 0.312 328 A C -0.426 177.214 177.584 0.093 0.000 1.113 328 A CA -0.525 51.558 52.037 0.076 0.000 0.779 328 A CB 1.967 21.005 19.000 0.063 0.000 1.307 328 A HN 1.506 nan 8.150 nan 0.000 0.436 329 M N 2.234 121.938 119.600 0.173 0.000 2.395 329 M HA 0.597 5.081 4.480 0.007 0.000 0.307 329 M C -2.178 174.318 176.300 0.327 0.000 1.091 329 M CA -0.523 54.931 55.300 0.256 0.000 0.919 329 M CB 1.537 34.352 32.600 0.357 0.000 1.662 329 M HN 0.403 nan 8.290 nan 0.000 0.440 330 V N 5.446 125.559 119.914 0.331 0.000 2.448 330 V HA 0.493 4.617 4.120 0.007 0.000 0.295 330 V C -1.208 175.143 176.094 0.429 0.000 1.025 330 V CA -0.544 61.946 62.300 0.316 0.000 0.859 330 V CB 1.983 33.916 31.823 0.184 0.000 0.988 330 V HN 0.859 nan 8.190 nan 0.000 0.431 331 W N 6.256 127.695 121.300 0.232 0.000 2.424 331 W HA 0.798 5.462 4.660 0.006 0.000 0.318 331 W C -0.691 175.938 176.519 0.183 0.000 1.016 331 W CA -0.572 56.892 57.345 0.199 0.000 1.268 331 W CB 1.653 31.197 29.460 0.140 0.000 1.297 331 W HN 0.685 nan 8.180 nan 0.000 0.428 332 A N 5.170 127.920 122.820 -0.117 0.000 2.556 332 A HA 0.470 4.795 4.320 0.007 0.000 0.294 332 A C 0.260 177.782 177.584 -0.103 0.000 1.091 332 A CA -0.660 51.142 52.037 -0.391 0.000 0.704 332 A CB 1.420 19.736 19.000 -1.139 0.000 1.300 332 A HN 0.621 nan 8.150 nan 0.000 0.406 333 L N -0.031 121.171 121.223 -0.036 0.000 2.081 333 L HA -0.213 4.131 4.340 0.007 0.000 0.212 333 L C 1.903 178.900 176.870 0.212 0.000 1.080 333 L CA 2.383 57.332 54.840 0.181 0.000 0.754 333 L CB -0.552 41.604 42.059 0.162 0.000 0.893 333 L HN 1.004 nan 8.230 nan 0.000 0.433 334 D N -0.709 119.662 120.400 -0.049 0.000 2.378 334 D HA -0.125 4.520 4.640 0.007 0.000 0.227 334 D C 1.795 178.192 176.300 0.162 0.000 1.012 334 D CA 0.647 54.564 54.000 -0.138 0.000 0.905 334 D CB -0.078 40.487 40.800 -0.392 0.000 0.895 334 D HN 0.341 nan 8.370 nan 0.000 0.532 335 L N -0.691 120.624 121.223 0.152 0.000 2.638 335 L HA 0.206 4.550 4.340 0.007 0.000 0.232 335 L C 0.910 177.956 176.870 0.294 0.000 1.099 335 L CA -0.283 54.666 54.840 0.182 0.000 0.883 335 L CB 0.087 42.207 42.059 0.102 0.000 1.136 335 L HN 0.044 nan 8.230 nan 0.000 0.492 336 D N 0.422 121.037 120.400 0.358 0.000 2.383 336 D HA -0.033 4.611 4.640 0.007 0.000 0.248 336 D C -0.273 176.252 176.300 0.374 0.000 1.170 336 D CA -0.178 54.043 54.000 0.369 0.000 0.977 336 D CB 1.028 42.064 40.800 0.393 0.000 1.120 336 D HN -0.153 nan 8.370 nan 0.000 0.481 337 D N 0.956 121.522 120.400 0.276 0.000 2.545 337 D HA -0.013 4.631 4.640 0.007 0.000 0.227 337 D C 1.051 177.178 176.300 -0.288 0.000 1.150 337 D CA -0.283 53.733 54.000 0.027 0.000 1.046 337 D CB -0.953 39.920 40.800 0.122 0.000 1.098 337 D HN 0.336 nan 8.370 nan 0.000 0.502 338 F N 1.077 120.761 119.950 -0.443 0.000 2.234 338 F HA 0.040 4.571 4.527 0.007 0.000 0.299 338 F C 1.807 177.258 175.800 -0.582 0.000 1.087 338 F CA 0.517 57.935 58.000 -0.970 0.000 1.340 338 F CB -0.354 38.233 39.000 -0.688 0.000 1.031 338 F HN 0.055 nan 8.300 nan 0.000 0.500 339 R N 0.597 120.604 120.500 -0.822 0.000 2.161 339 R HA 0.181 4.525 4.340 0.007 0.000 0.213 339 R C 1.680 177.826 176.300 -0.256 0.000 1.055 339 R CA 0.707 56.546 56.100 -0.436 0.000 0.996 339 R CB -0.566 29.439 30.300 -0.492 0.000 0.901 339 R HN 0.573 nan 8.270 nan 0.000 0.456 340 G N 0.990 109.646 108.800 -0.241 0.000 2.147 340 G HA2 -0.275 3.689 3.960 0.007 0.000 0.244 340 G HA3 -0.275 3.689 3.960 0.007 0.000 0.244 340 G C 0.622 175.476 174.900 -0.076 0.000 1.005 340 G CA 0.795 45.833 45.100 -0.103 0.000 0.713 340 G HN 0.471 nan 8.290 nan 0.000 0.515 341 T N -3.735 110.752 114.554 -0.112 0.000 3.084 341 T HA 0.552 4.907 4.350 0.007 0.000 0.270 341 T C 1.402 175.944 174.700 -0.264 0.000 1.008 341 T CA 0.538 62.522 62.100 -0.192 0.000 0.900 341 T CB -0.041 68.645 68.868 -0.304 0.000 1.084 341 T HN 0.155 nan 8.240 nan 0.000 0.538 342 F N 0.308 120.173 119.950 -0.143 0.000 2.602 342 F HA 0.350 4.882 4.527 0.007 0.000 0.284 342 F C 2.012 177.780 175.800 -0.054 0.000 1.111 342 F CA -0.611 57.335 58.000 -0.089 0.000 1.405 342 F CB 0.107 39.050 39.000 -0.095 0.000 1.121 342 F HN 0.223 nan 8.300 nan 0.000 0.603 343 c N 0.598 119.281 118.600 0.139 0.000 2.578 343 c HA 0.573 5.147 4.570 0.007 0.000 0.285 343 c C 1.814 175.944 174.090 0.066 0.000 1.297 343 c CA 0.365 56.732 56.329 0.063 0.000 1.690 343 c CB -1.447 41.107 42.510 0.073 0.000 1.773 343 c HN 0.851 nan 8.230 nan 0.000 0.594 344 G N 1.270 110.107 108.800 0.062 0.000 4.794 344 G HA2 -0.226 3.738 3.960 0.007 0.000 0.275 344 G HA3 -0.226 3.738 3.960 0.007 0.000 0.275 344 G C 0.131 175.056 174.900 0.042 0.000 1.648 344 G CA 0.038 45.171 45.100 0.055 0.000 1.154 344 G HN 0.632 nan 8.290 nan 0.000 0.680 345 Q N 2.132 121.965 119.800 0.055 0.000 2.283 345 Q HA 0.299 4.643 4.340 0.007 0.000 0.269 345 Q C -0.453 175.574 176.000 0.044 0.000 1.187 345 Q CA 0.386 56.218 55.803 0.049 0.000 0.922 345 Q CB -0.632 28.142 28.738 0.060 0.000 1.323 345 Q HN 0.628 nan 8.270 nan 0.000 0.432 346 N N 3.808 122.523 118.700 0.026 0.000 2.278 346 N HA 0.037 4.781 4.740 0.007 0.000 0.287 346 N C -1.005 174.525 175.510 0.033 0.000 1.374 346 N CA 0.538 53.598 53.050 0.017 0.000 1.007 346 N CB 0.056 38.547 38.487 0.005 0.000 1.428 346 N HN 0.570 nan 8.380 nan 0.000 0.489 347 L N 1.146 122.395 121.223 0.043 0.000 2.641 347 L HA 0.254 4.598 4.340 0.007 0.000 0.261 347 L C -0.537 176.374 176.870 0.068 0.000 0.926 347 L CA -0.534 54.346 54.840 0.067 0.000 0.917 347 L CB 2.017 44.127 42.059 0.084 0.000 1.361 347 L HN 0.291 nan 8.230 nan 0.000 0.417 348 T N 3.160 117.767 114.554 0.088 0.000 2.897 348 T HA 0.396 4.750 4.350 0.007 0.000 0.294 348 T C 0.068 174.892 174.700 0.208 0.000 1.004 348 T CA 0.394 62.527 62.100 0.054 0.000 1.106 348 T CB -0.023 68.924 68.868 0.131 0.000 0.949 348 T HN 0.412 nan 8.240 nan 0.000 0.520 349 F N 4.094 124.125 119.950 0.135 0.000 2.891 349 F HA -0.141 4.390 4.527 0.007 0.000 0.272 349 F C -1.246 174.618 175.800 0.106 0.000 1.004 349 F CA 0.174 58.256 58.000 0.137 0.000 0.938 349 F CB -1.443 37.629 39.000 0.120 0.000 0.939 349 F HN 0.565 nan 8.300 nan 0.000 0.833 350 P HA -0.214 nan 4.420 nan 0.000 0.215 350 P C 1.843 179.202 177.300 0.099 0.000 1.153 350 P CA 1.375 64.576 63.100 0.169 0.000 0.853 350 P CB 0.327 32.151 31.700 0.207 0.000 0.788 351 L N -0.111 121.129 121.223 0.027 0.000 2.005 351 L HA -0.085 4.259 4.340 0.007 0.000 0.207 351 L C 2.675 179.563 176.870 0.030 0.000 1.072 351 L CA 2.212 57.008 54.840 -0.073 0.000 0.744 351 L CB -2.059 39.861 42.059 -0.232 0.000 0.895 351 L HN -0.013 nan 8.230 nan 0.000 0.433 352 T N -1.410 113.210 114.554 0.111 0.000 2.788 352 T HA -0.142 4.212 4.350 0.007 0.000 0.268 352 T C 2.033 176.778 174.700 0.076 0.000 1.044 352 T CA 1.506 63.664 62.100 0.097 0.000 1.139 352 T CB -0.227 68.702 68.868 0.102 0.000 0.867 352 T HN 0.261 nan 8.240 nan 0.000 0.454 353 S N 1.385 117.153 115.700 0.113 0.000 2.383 353 S HA 0.056 4.530 4.470 0.007 0.000 0.227 353 S C 2.593 177.230 174.600 0.061 0.000 1.026 353 S CA 0.766 59.021 58.200 0.091 0.000 0.981 353 S CB -0.464 62.812 63.200 0.126 0.000 0.818 353 S HN 0.601 nan 8.310 nan 0.000 0.472 354 A N 1.223 124.074 122.820 0.053 0.000 1.933 354 A HA -0.032 4.292 4.320 0.007 0.000 0.218 354 A C 2.312 179.908 177.584 0.020 0.000 1.175 354 A CA 1.374 53.431 52.037 0.033 0.000 0.628 354 A CB -0.825 18.188 19.000 0.021 0.000 0.814 354 A HN 0.342 nan 8.150 nan 0.000 0.444 355 V N 0.277 120.203 119.914 0.019 0.000 2.307 355 V HA -0.262 3.863 4.120 0.007 0.000 0.245 355 V C 2.536 178.632 176.094 0.002 0.000 1.045 355 V CA 2.329 64.635 62.300 0.009 0.000 1.024 355 V CB -0.643 31.193 31.823 0.021 0.000 0.651 355 V HN 0.680 nan 8.190 nan 0.000 0.449 356 K N -0.090 120.320 120.400 0.018 0.000 2.063 356 K HA -0.256 4.068 4.320 0.007 0.000 0.208 356 K C 1.871 178.481 176.600 0.017 0.000 1.048 356 K CA 2.043 58.343 56.287 0.021 0.000 0.928 356 K CB -0.277 32.242 32.500 0.032 0.000 0.713 356 K HN 0.452 nan 8.250 nan 0.000 0.442 357 D N 0.318 120.730 120.400 0.020 0.000 2.104 357 D HA -0.152 4.493 4.640 0.007 0.000 0.194 357 D C 1.983 178.285 176.300 0.004 0.000 0.994 357 D CA 1.112 55.123 54.000 0.019 0.000 0.830 357 D CB -0.253 40.561 40.800 0.024 0.000 0.959 357 D HN 0.051 nan 8.370 nan 0.000 0.452 358 V N 0.810 120.718 119.914 -0.011 0.000 2.343 358 V HA -0.206 3.918 4.120 0.007 0.000 0.247 358 V C 2.444 178.492 176.094 -0.076 0.000 1.051 358 V CA 1.001 63.280 62.300 -0.035 0.000 1.036 358 V CB -0.305 31.493 31.823 -0.042 0.000 0.654 358 V HN 0.127 nan 8.190 nan 0.000 0.451 359 L N 0.337 121.501 121.223 -0.098 0.000 2.131 359 L HA -0.050 4.294 4.340 0.007 0.000 0.210 359 L C 2.454 179.325 176.870 0.002 0.000 1.092 359 L CA 2.112 56.854 54.840 -0.164 0.000 0.759 359 L CB -1.132 40.861 42.059 -0.111 0.000 0.903 359 L HN 0.306 nan 8.230 nan 0.000 0.435 360 A N -1.744 121.094 122.820 0.031 0.000 2.067 360 A HA -0.058 4.267 4.320 0.007 0.000 0.217 360 A C 1.379 178.997 177.584 0.057 0.000 1.156 360 A CA 0.221 52.297 52.037 0.064 0.000 0.683 360 A CB -0.341 18.687 19.000 0.047 0.000 0.808 360 A HN 0.394 nan 8.150 nan 0.000 0.455 361 E N -0.485 119.734 120.200 0.031 0.000 2.435 361 E HA 0.292 4.647 4.350 0.007 0.000 0.254 361 E C -0.150 176.483 176.600 0.054 0.000 1.289 361 E CA -0.358 56.060 56.400 0.029 0.000 0.983 361 E CB 0.532 30.237 29.700 0.008 0.000 1.010 361 E HN 0.146 nan 8.360 nan 0.000 0.509 362 V N 0.000 119.944 119.914 0.051 0.000 2.409 362 V HA 0.000 4.124 4.120 0.007 0.000 0.244 362 V CA 0.000 62.344 62.300 0.073 0.000 1.235 362 V CB 0.000 31.854 31.823 0.051 0.000 1.184 362 V HN 0.000 nan 8.190 nan 0.000 0.556