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 2dsv_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 0.000 175.887 175.900 -0.021 0.000 1.272 1 Y CA 0.000 58.091 58.100 -0.014 0.000 1.940 1 Y CB 0.000 38.455 38.460 -0.008 0.000 1.050 2 K N 2.889 123.351 120.400 0.104 0.000 2.110 2 K HA 0.703 5.026 4.320 0.005 0.000 0.263 2 K C -1.209 175.383 176.600 -0.013 0.000 0.975 2 K CA -0.862 55.416 56.287 -0.014 0.000 0.895 2 K CB 1.785 34.127 32.500 -0.264 0.000 1.060 2 K HN 0.556 nan 8.250 nan 0.000 0.448 3 L N 5.110 126.333 121.223 0.001 0.000 2.388 3 L HA 0.400 4.743 4.340 0.005 0.000 0.267 3 L C -1.251 175.607 176.870 -0.019 0.000 0.995 3 L CA -0.703 54.136 54.840 -0.002 0.000 0.864 3 L CB 0.797 42.868 42.059 0.020 0.000 1.216 3 L HN 0.568 nan 8.230 nan 0.000 0.430 4 I N 3.245 123.775 120.570 -0.067 0.000 2.331 4 I HA 0.306 4.479 4.170 0.005 0.000 0.292 4 I C -0.291 175.826 176.117 0.000 0.000 0.998 4 I CA -0.305 60.950 61.300 -0.075 0.000 1.267 4 I CB 1.203 39.124 38.000 -0.133 0.000 1.386 4 I HN 0.522 nan 8.210 nan 0.000 0.476 5 c N 6.373 124.946 118.600 -0.044 0.000 2.441 5 c HA 0.519 5.092 4.570 0.005 0.000 0.318 5 c C -0.156 173.878 174.090 -0.094 0.000 1.222 5 c CA -0.839 55.479 56.329 -0.017 0.000 1.474 5 c CB 0.863 43.343 42.510 -0.051 0.000 2.125 5 c HN 0.567 nan 8.230 nan 0.000 0.479 6 Y N 1.247 121.521 120.300 -0.043 0.000 2.310 6 Y HA 0.487 5.040 4.550 0.004 0.000 0.326 6 Y C -0.068 175.617 175.900 -0.359 0.000 1.151 6 Y CA -0.042 57.945 58.100 -0.189 0.000 1.195 6 Y CB 0.767 39.043 38.460 -0.308 0.000 1.210 6 Y HN 0.709 nan 8.280 nan 0.000 0.483 7 Y N 2.546 122.642 120.300 -0.340 0.000 2.376 7 Y HA 0.473 5.026 4.550 0.004 0.000 0.340 7 Y C -0.453 174.986 175.900 -0.769 0.000 0.965 7 Y CA -1.275 56.527 58.100 -0.497 0.000 1.078 7 Y CB 1.330 39.588 38.460 -0.338 0.000 1.193 7 Y HN 0.646 nan 8.280 nan 0.000 0.452 8 T N 1.495 114.978 114.554 -1.786 0.000 2.829 8 T HA 0.238 4.591 4.350 0.005 0.000 0.282 8 T C 0.970 174.480 174.700 -1.983 0.000 0.990 8 T CA -0.176 60.738 62.100 -1.976 0.000 1.028 8 T CB 1.668 69.020 68.868 -2.526 0.000 0.951 8 T HN 0.731 nan 8.240 nan 0.000 0.460 9 S N 1.386 116.262 115.700 -1.373 0.000 2.374 9 S HA -0.118 4.355 4.470 0.005 0.000 0.227 9 S C 1.381 175.710 174.600 -0.451 0.000 1.037 9 S CA 1.969 59.745 58.200 -0.706 0.000 1.024 9 S CB -0.551 62.546 63.200 -0.171 0.000 0.861 9 S HN 0.961 nan 8.310 nan 0.000 0.456 10 W N 1.671 122.777 121.300 -0.323 0.000 3.180 10 W HA 0.243 4.906 4.660 0.004 0.000 0.254 10 W C 1.777 178.173 176.519 -0.204 0.000 1.318 10 W CA 0.532 57.813 57.345 -0.107 0.000 1.608 10 W CB -0.897 28.616 29.460 0.089 0.000 1.124 10 W HN 0.290 nan 8.180 nan 0.000 0.694 11 S N 0.965 116.231 115.700 -0.723 0.000 2.515 11 S HA -0.263 4.210 4.470 0.005 0.000 0.231 11 S C 1.767 176.113 174.600 -0.423 0.000 0.987 11 S CA 1.070 58.956 58.200 -0.523 0.000 0.936 11 S CB -0.806 61.975 63.200 -0.698 0.000 0.766 11 S HN 0.710 nan 8.310 nan 0.000 0.528 12 Q N -0.055 119.344 119.800 -0.669 0.000 2.224 12 Q HA -0.087 4.256 4.340 0.005 0.000 0.203 12 Q C 0.972 176.736 176.000 -0.394 0.000 0.970 12 Q CA 1.116 56.408 55.803 -0.852 0.000 0.865 12 Q CB -0.793 27.165 28.738 -1.300 0.000 0.922 12 Q HN 0.680 nan 8.270 nan 0.000 0.445 13 Y N 1.129 121.437 120.300 0.014 0.000 2.529 13 Y HA 0.234 4.787 4.550 0.005 0.000 0.290 13 Y C 0.442 176.436 175.900 0.157 0.000 1.177 13 Y CA -0.368 57.813 58.100 0.135 0.000 1.305 13 Y CB 0.023 38.590 38.460 0.179 0.000 1.047 13 Y HN -0.019 nan 8.280 nan 0.000 0.522 14 R N 2.008 122.658 120.500 0.250 0.000 2.539 14 R HA 0.138 4.481 4.340 0.005 0.000 0.275 14 R C 0.400 176.874 176.300 0.290 0.000 1.077 14 R CA -0.351 55.916 56.100 0.277 0.000 1.097 14 R CB 0.517 30.980 30.300 0.273 0.000 1.018 14 R HN 0.373 nan 8.270 nan 0.000 0.483 15 E N 1.193 121.579 120.200 0.310 0.000 2.349 15 E HA 0.378 4.731 4.350 0.005 0.000 0.262 15 E C 0.597 177.423 176.600 0.376 0.000 1.088 15 E CA -0.469 56.106 56.400 0.292 0.000 0.899 15 E CB 0.634 30.462 29.700 0.212 0.000 1.044 15 E HN 0.683 nan 8.360 nan 0.000 0.420 16 G N 2.429 111.403 108.800 0.291 0.000 2.596 16 G HA2 -0.388 3.574 3.960 0.005 0.000 0.295 16 G HA3 -0.388 3.574 3.960 0.005 0.000 0.295 16 G C 0.419 175.461 174.900 0.237 0.000 1.240 16 G CA 0.408 45.679 45.100 0.285 0.000 0.985 16 G HN 0.772 nan 8.290 nan 0.000 0.555 17 D N 1.142 121.649 120.400 0.177 0.000 2.265 17 D HA -0.077 4.566 4.640 0.005 0.000 0.208 17 D C 2.463 178.675 176.300 -0.148 0.000 0.977 17 D CA 1.714 55.703 54.000 -0.020 0.000 0.871 17 D CB -0.786 39.974 40.800 -0.067 0.000 0.925 17 D HN 0.660 nan 8.370 nan 0.000 0.485 18 G N 0.508 109.223 108.800 -0.143 0.000 2.448 18 G HA2 -0.186 3.777 3.960 0.005 0.000 0.219 18 G HA3 -0.186 3.777 3.960 0.005 0.000 0.219 18 G C 0.908 175.946 174.900 0.231 0.000 1.127 18 G CA 0.230 45.309 45.100 -0.034 0.000 0.766 18 G HN 0.228 nan 8.290 nan 0.000 0.552 19 S N -0.654 115.182 115.700 0.228 0.000 2.544 19 S HA 0.231 4.704 4.470 0.005 0.000 0.290 19 S C -0.227 174.463 174.600 0.150 0.000 1.276 19 S CA -0.343 57.961 58.200 0.173 0.000 1.075 19 S CB 0.055 63.401 63.200 0.243 0.000 0.849 19 S HN 0.357 nan 8.310 nan 0.000 0.494 20 C N 7.219 126.434 119.300 -0.142 0.000 2.397 20 C HA 0.737 5.199 4.460 0.005 0.000 0.325 20 C C -1.066 173.761 174.990 -0.272 0.000 1.201 20 C CA -0.868 57.952 59.018 -0.329 0.000 1.377 20 C CB -0.645 26.546 27.740 -0.916 0.000 2.038 20 C HN 0.854 nan 8.230 nan 0.000 0.457 21 F N 5.504 125.392 119.950 -0.104 0.000 2.507 21 F HA 0.482 5.012 4.527 0.005 0.000 0.327 21 F C -1.339 174.296 175.800 -0.275 0.000 1.068 21 F CA -1.848 56.094 58.000 -0.096 0.000 0.965 21 F CB 1.376 40.340 39.000 -0.059 0.000 1.192 21 F HN 0.383 nan 8.300 nan 0.000 0.476 22 P HA -0.219 nan 4.420 nan 0.000 0.217 22 P C 0.769 177.936 177.300 -0.222 0.000 1.151 22 P CA 1.687 64.488 63.100 -0.498 0.000 0.849 22 P CB -0.001 31.495 31.700 -0.339 0.000 0.787 23 D N -0.998 119.359 120.400 -0.072 0.000 2.392 23 D HA -0.047 4.596 4.640 0.005 0.000 0.228 23 D C 1.405 177.711 176.300 0.010 0.000 1.003 23 D CA 0.727 54.705 54.000 -0.038 0.000 0.917 23 D CB -0.902 39.885 40.800 -0.021 0.000 0.890 23 D HN 0.147 nan 8.370 nan 0.000 0.532 24 A N 0.274 123.111 122.820 0.030 0.000 2.178 24 A HA 0.200 4.523 4.320 0.005 0.000 0.211 24 A C 1.183 178.908 177.584 0.235 0.000 1.157 24 A CA -0.292 51.826 52.037 0.134 0.000 0.780 24 A CB -0.318 18.775 19.000 0.155 0.000 0.828 24 A HN 0.251 nan 8.150 nan 0.000 0.476 25 I N 1.376 121.998 120.570 0.087 0.000 2.471 25 I HA 0.049 4.222 4.170 0.005 0.000 0.286 25 I C -0.181 175.928 176.117 -0.013 0.000 1.079 25 I CA -0.465 60.852 61.300 0.027 0.000 1.398 25 I CB 0.690 38.591 38.000 -0.166 0.000 1.403 25 I HN 0.099 nan 8.210 nan 0.000 0.530 26 D N 9.438 129.815 120.400 -0.039 0.000 2.358 26 D HA 0.097 4.739 4.640 0.005 0.000 0.258 26 D C -1.627 174.600 176.300 -0.122 0.000 1.223 26 D CA -1.971 52.030 54.000 0.002 0.000 0.886 26 D CB 1.321 42.153 40.800 0.053 0.000 1.120 26 D HN 0.206 nan 8.370 nan 0.000 0.482 27 P HA -0.085 nan 4.420 nan 0.000 0.219 27 P C 0.451 177.430 177.300 -0.535 0.000 1.146 27 P CA 1.021 63.860 63.100 -0.435 0.000 0.808 27 P CB 0.009 31.310 31.700 -0.665 0.000 0.779 28 F N -2.510 117.400 119.950 -0.067 0.000 2.664 28 F HA 0.194 4.723 4.527 0.004 0.000 0.303 28 F C 1.786 177.547 175.800 -0.065 0.000 1.092 28 F CA -0.262 57.704 58.000 -0.057 0.000 1.305 28 F CB -0.587 38.392 39.000 -0.034 0.000 1.054 28 F HN -0.169 nan 8.300 nan 0.000 0.565 29 L N -0.286 120.943 121.223 0.010 0.000 2.007 29 L HA 0.041 4.384 4.340 0.005 0.000 0.205 29 L C 0.893 177.728 176.870 -0.058 0.000 1.073 29 L CA 1.360 56.166 54.840 -0.056 0.000 0.744 29 L CB -0.181 41.738 42.059 -0.234 0.000 0.898 29 L HN 0.086 nan 8.230 nan 0.000 0.435 30 c N -1.608 116.935 118.600 -0.094 0.000 2.407 30 c HA 0.506 5.079 4.570 0.005 0.000 0.366 30 c C 1.960 176.029 174.090 -0.034 0.000 1.213 30 c CA 0.043 56.340 56.329 -0.054 0.000 2.011 30 c CB 1.268 43.734 42.510 -0.073 0.000 2.306 30 c HN 0.596 nan 8.230 nan 0.000 0.527 31 T N -2.186 112.387 114.554 0.031 0.000 3.031 31 T HA 0.099 4.451 4.350 0.005 0.000 0.254 31 T C 0.071 174.698 174.700 -0.121 0.000 1.060 31 T CA 0.960 63.069 62.100 0.016 0.000 1.135 31 T CB -0.210 68.761 68.868 0.172 0.000 0.896 31 T HN 0.783 nan 8.240 nan 0.000 0.472 32 H N -0.202 118.813 119.070 -0.090 0.000 2.759 32 H HA 0.707 5.266 4.556 0.005 0.000 0.354 32 H C -1.422 173.858 175.328 -0.079 0.000 1.074 32 H CA -0.878 55.129 56.048 -0.068 0.000 1.226 32 H CB 2.006 31.731 29.762 -0.063 0.000 1.648 32 H HN 0.023 nan 8.280 nan 0.000 0.529 33 V N 4.794 124.732 119.914 0.040 0.000 2.409 33 V HA 0.358 4.481 4.120 0.005 0.000 0.291 33 V C -0.028 176.095 176.094 0.048 0.000 1.020 33 V CA -0.553 61.744 62.300 -0.005 0.000 0.848 33 V CB 1.269 33.067 31.823 -0.042 0.000 0.990 33 V HN 0.644 nan 8.190 nan 0.000 0.430 34 I N 4.828 125.365 120.570 -0.053 0.000 2.354 34 I HA 0.372 4.545 4.170 0.005 0.000 0.292 34 I C -0.870 175.302 176.117 0.092 0.000 0.989 34 I CA -0.716 60.562 61.300 -0.037 0.000 1.188 34 I CB 1.424 39.172 38.000 -0.420 0.000 1.342 34 I HN 0.582 nan 8.210 nan 0.000 0.457 35 Y N 5.592 125.948 120.300 0.092 0.000 2.327 35 Y HA 0.326 4.878 4.550 0.005 0.000 0.336 35 Y C -0.083 175.809 175.900 -0.013 0.000 1.035 35 Y CA 0.023 58.188 58.100 0.107 0.000 1.165 35 Y CB 1.054 39.665 38.460 0.251 0.000 1.181 35 Y HN 0.517 nan 8.280 nan 0.000 0.494 36 S N 6.481 121.931 115.700 -0.416 0.000 2.473 36 S HA 0.639 5.112 4.470 0.005 0.000 0.307 36 S C -1.368 172.916 174.600 -0.527 0.000 1.094 36 S CA -0.535 57.239 58.200 -0.710 0.000 1.070 36 S CB 0.830 63.172 63.200 -1.430 0.000 1.019 36 S HN 0.518 nan 8.310 nan 0.000 0.480 37 F N 0.757 120.750 119.950 0.071 0.000 2.650 37 F HA 0.774 5.303 4.527 0.004 0.000 0.320 37 F C 0.331 176.292 175.800 0.268 0.000 1.091 37 F CA -0.962 57.117 58.000 0.131 0.000 0.962 37 F CB 1.357 40.331 39.000 -0.044 0.000 1.363 37 F HN 0.645 nan 8.300 nan 0.000 0.482 38 A N 1.263 124.397 122.820 0.524 0.000 2.281 38 A HA 0.673 4.996 4.320 0.005 0.000 0.329 38 A C -0.785 177.140 177.584 0.568 0.000 1.122 38 A CA -0.441 51.904 52.037 0.513 0.000 0.850 38 A CB 0.961 20.166 19.000 0.341 0.000 1.207 38 A HN 0.714 nan 8.150 nan 0.000 0.495 39 N N -0.812 118.218 118.700 0.550 0.000 2.525 39 N HA 0.665 5.407 4.740 0.005 0.000 0.288 39 N C -1.287 174.346 175.510 0.205 0.000 1.242 39 N CA -0.554 52.793 53.050 0.495 0.000 0.905 39 N CB 0.994 39.638 38.487 0.262 0.000 1.258 39 N HN 0.476 nan 8.380 nan 0.000 0.551 40 I N 0.833 121.487 120.570 0.140 0.000 2.468 40 I HA 0.277 4.450 4.170 0.005 0.000 0.284 40 I C -0.819 175.256 176.117 -0.069 0.000 1.038 40 I CA -0.409 60.880 61.300 -0.018 0.000 1.083 40 I CB 1.596 39.489 38.000 -0.177 0.000 1.223 40 I HN 0.270 nan 8.210 nan 0.000 0.443 41 S N 4.119 119.783 115.700 -0.060 0.000 2.500 41 S HA 0.370 4.843 4.470 0.005 0.000 0.301 41 S C 0.031 174.599 174.600 -0.054 0.000 1.092 41 S CA -0.699 57.457 58.200 -0.073 0.000 1.030 41 S CB 1.410 64.573 63.200 -0.061 0.000 1.031 41 S HN 0.793 nan 8.310 nan 0.000 0.483 42 N N 2.704 121.366 118.700 -0.063 0.000 2.725 42 N HA -0.188 4.555 4.740 0.005 0.000 0.251 42 N C -0.533 174.960 175.510 -0.028 0.000 1.031 42 N CA 0.308 53.333 53.050 -0.043 0.000 0.720 42 N CB -1.208 37.264 38.487 -0.024 0.000 0.930 42 N HN 0.678 nan 8.380 nan 0.000 0.543 43 N N -1.512 117.157 118.700 -0.051 0.000 2.681 43 N HA -0.207 4.536 4.740 0.005 0.000 0.250 43 N C -0.767 174.792 175.510 0.083 0.000 1.133 43 N CA 1.612 54.646 53.050 -0.026 0.000 0.732 43 N CB -0.714 37.764 38.487 -0.014 0.000 1.107 43 N HN 0.740 nan 8.380 nan 0.000 0.559 44 E N -0.365 119.874 120.200 0.065 0.000 2.256 44 E HA 0.472 4.825 4.350 0.005 0.000 0.267 44 E C 0.086 176.729 176.600 0.072 0.000 0.892 44 E CA -0.937 55.523 56.400 0.101 0.000 0.775 44 E CB 2.264 31.978 29.700 0.022 0.000 1.207 44 E HN 0.183 nan 8.360 nan 0.000 0.420 45 I N 1.578 122.182 120.570 0.057 0.000 2.836 45 I HA 0.056 4.228 4.170 0.005 0.000 0.285 45 I C -0.407 175.449 176.117 -0.434 0.000 1.174 45 I CA 0.871 62.121 61.300 -0.083 0.000 1.405 45 I CB 0.500 38.414 38.000 -0.144 0.000 1.385 45 I HN 0.564 nan 8.210 nan 0.000 0.594 46 D N 2.909 123.111 120.400 -0.331 0.000 2.665 46 D HA 0.306 4.949 4.640 0.005 0.000 0.287 46 D C -0.977 175.381 176.300 0.096 0.000 1.266 46 D CA -0.154 53.698 54.000 -0.246 0.000 0.830 46 D CB 1.499 42.263 40.800 -0.060 0.000 1.356 46 D HN 0.628 nan 8.370 nan 0.000 0.437 47 T N -1.716 113.003 114.554 0.274 0.000 2.766 47 T HA 0.153 4.505 4.350 0.005 0.000 0.295 47 T C 0.295 175.214 174.700 0.364 0.000 1.024 47 T CA -0.309 62.012 62.100 0.369 0.000 1.018 47 T CB 1.024 70.026 68.868 0.224 0.000 1.002 47 T HN 0.540 nan 8.240 nan 0.000 0.532 48 W N 0.049 121.488 121.300 0.231 0.000 3.772 48 W HA 0.250 4.913 4.660 0.006 0.000 0.224 48 W C 0.052 176.708 176.519 0.230 0.000 1.009 48 W CA 0.088 57.578 57.345 0.242 0.000 1.889 48 W CB 0.240 29.893 29.460 0.323 0.000 0.909 48 W HN 0.627 nan 8.180 nan 0.000 0.794 49 E N 1.466 122.012 120.200 0.577 0.000 2.318 49 E HA 0.019 4.372 4.350 0.005 0.000 0.265 49 E C 1.411 178.166 176.600 0.259 0.000 1.069 49 E CA -0.151 56.521 56.400 0.453 0.000 0.893 49 E CB 0.211 30.132 29.700 0.369 0.000 1.076 49 E HN 0.261 nan 8.360 nan 0.000 0.414 50 W N 2.850 124.285 121.300 0.224 0.000 2.374 50 W HA -0.148 4.515 4.660 0.005 0.000 0.288 50 W C 0.608 177.201 176.519 0.123 0.000 1.218 50 W CA 1.152 58.587 57.345 0.149 0.000 1.245 50 W CB -0.697 28.847 29.460 0.141 0.000 1.126 50 W HN 0.378 nan 8.180 nan 0.000 0.545 51 N N 0.670 118.855 118.700 -0.858 0.000 2.273 51 N HA -0.046 4.697 4.740 0.005 0.000 0.231 51 N C 0.509 175.760 175.510 -0.431 0.000 1.134 51 N CA 0.179 52.746 53.050 -0.806 0.000 0.856 51 N CB -0.712 36.924 38.487 -1.418 0.000 1.068 51 N HN -0.099 nan 8.380 nan 0.000 0.510 52 D N 0.810 121.007 120.400 -0.339 0.000 2.123 52 D HA -0.154 4.488 4.640 0.005 0.000 0.196 52 D C 2.130 177.889 176.300 -0.901 0.000 0.992 52 D CA 1.606 55.290 54.000 -0.526 0.000 0.833 52 D CB -0.031 40.416 40.800 -0.588 0.000 0.954 52 D HN 0.302 nan 8.370 nan 0.000 0.455 53 V N -1.130 118.377 119.914 -0.679 0.000 2.469 53 V HA -0.201 3.922 4.120 0.005 0.000 0.251 53 V C 2.093 178.072 176.094 -0.190 0.000 1.064 53 V CA 2.032 64.060 62.300 -0.453 0.000 1.066 53 V CB -1.164 30.581 31.823 -0.130 0.000 0.667 53 V HN 0.024 nan 8.190 nan 0.000 0.461 54 T N 1.130 115.577 114.554 -0.179 0.000 2.812 54 T HA 0.103 4.456 4.350 0.005 0.000 0.264 54 T C 1.884 176.553 174.700 -0.053 0.000 1.042 54 T CA 1.881 63.926 62.100 -0.091 0.000 1.140 54 T CB -0.307 68.503 68.868 -0.096 0.000 0.870 54 T HN 0.445 nan 8.240 nan 0.000 0.445 55 L N -0.266 120.921 121.223 -0.061 0.000 2.093 55 L HA -0.062 4.281 4.340 0.005 0.000 0.208 55 L C 2.521 179.436 176.870 0.075 0.000 1.085 55 L CA 1.215 56.098 54.840 0.070 0.000 0.755 55 L CB -0.694 41.492 42.059 0.212 0.000 0.904 55 L HN 0.238 nan 8.230 nan 0.000 0.435 56 Y N 0.651 120.830 120.300 -0.201 0.000 2.128 56 Y HA -0.312 4.241 4.550 0.005 0.000 0.284 56 Y C 2.522 178.274 175.900 -0.246 0.000 1.154 56 Y CA 1.492 59.417 58.100 -0.292 0.000 1.149 56 Y CB -0.917 37.406 38.460 -0.229 0.000 0.976 56 Y HN 0.321 nan 8.280 nan 0.000 0.505 57 D N -0.950 119.467 120.400 0.028 0.000 2.117 57 D HA -0.134 4.508 4.640 0.005 0.000 0.197 57 D C 1.961 178.221 176.300 -0.067 0.000 0.987 57 D CA 1.920 55.899 54.000 -0.034 0.000 0.829 57 D CB -0.037 40.756 40.800 -0.011 0.000 0.961 57 D HN 0.202 nan 8.370 nan 0.000 0.460 58 T N 0.149 114.677 114.554 -0.043 0.000 2.777 58 T HA -0.116 4.237 4.350 0.005 0.000 0.266 58 T C 1.768 176.414 174.700 -0.091 0.000 1.040 58 T CA 1.043 63.112 62.100 -0.053 0.000 1.141 58 T CB -0.357 68.502 68.868 -0.015 0.000 0.868 58 T HN 0.128 nan 8.240 nan 0.000 0.444 59 L N 1.770 122.935 121.223 -0.096 0.000 2.017 59 L HA 0.011 4.354 4.340 0.005 0.000 0.208 59 L C 1.648 178.403 176.870 -0.191 0.000 1.073 59 L CA 1.842 56.599 54.840 -0.138 0.000 0.745 59 L CB -0.844 41.173 42.059 -0.068 0.000 0.894 59 L HN 0.186 nan 8.230 nan 0.000 0.432 60 N N -1.402 117.154 118.700 -0.240 0.000 2.512 60 N HA -0.115 4.628 4.740 0.005 0.000 0.183 60 N C 1.369 176.762 175.510 -0.194 0.000 1.073 60 N CA 0.974 53.861 53.050 -0.272 0.000 0.911 60 N CB -0.044 38.222 38.487 -0.367 0.000 0.964 60 N HN 0.613 nan 8.380 nan 0.000 0.447 61 T N -1.145 113.317 114.554 -0.153 0.000 2.995 61 T HA 0.021 4.374 4.350 0.005 0.000 0.269 61 T C 1.717 176.336 174.700 -0.135 0.000 1.091 61 T CA 0.402 62.427 62.100 -0.124 0.000 1.128 61 T CB -0.320 68.491 68.868 -0.095 0.000 0.891 61 T HN 0.139 nan 8.240 nan 0.000 0.492 62 L N 0.157 121.285 121.223 -0.158 0.000 2.261 62 L HA -0.065 4.278 4.340 0.005 0.000 0.216 62 L C 2.629 179.369 176.870 -0.215 0.000 1.114 62 L CA 1.312 56.040 54.840 -0.187 0.000 0.777 62 L CB -0.531 41.405 42.059 -0.205 0.000 0.910 62 L HN 0.267 nan 8.230 nan 0.000 0.440 63 K N -0.323 119.962 120.400 -0.191 0.000 2.504 63 K HA -0.048 4.275 4.320 0.005 0.000 0.195 63 K C 1.628 178.142 176.600 -0.144 0.000 1.036 63 K CA 0.360 56.538 56.287 -0.182 0.000 0.984 63 K CB 0.009 32.408 32.500 -0.168 0.000 0.788 63 K HN 0.276 nan 8.250 nan 0.000 0.488 64 N N 0.478 119.103 118.700 -0.125 0.000 2.354 64 N HA -0.038 4.705 4.740 0.005 0.000 0.179 64 N C 1.298 176.765 175.510 -0.072 0.000 1.021 64 N CA 0.785 53.783 53.050 -0.086 0.000 0.887 64 N CB 0.216 38.660 38.487 -0.071 0.000 0.974 64 N HN 0.174 nan 8.380 nan 0.000 0.437 65 R N 0.071 120.506 120.500 -0.109 0.000 2.140 65 R HA 0.099 4.442 4.340 0.005 0.000 0.213 65 R C 0.043 176.260 176.300 -0.137 0.000 1.059 65 R CA 0.367 56.422 56.100 -0.075 0.000 1.000 65 R CB 0.017 30.262 30.300 -0.092 0.000 0.910 65 R HN 0.062 nan 8.270 nan 0.000 0.455 66 N N 0.514 119.026 118.700 -0.313 0.000 2.609 66 N HA 0.169 4.911 4.740 0.005 0.000 0.268 66 N C -2.380 173.014 175.510 -0.194 0.000 1.106 66 N CA -2.146 50.700 53.050 -0.339 0.000 0.823 66 N CB 1.775 39.770 38.487 -0.820 0.000 1.263 66 N HN -0.255 nan 8.380 nan 0.000 0.533 67 P HA -0.076 nan 4.420 nan 0.000 0.222 67 P C 0.771 178.019 177.300 -0.086 0.000 1.147 67 P CA 0.989 64.041 63.100 -0.079 0.000 0.790 67 P CB 0.418 32.095 31.700 -0.039 0.000 0.780 68 K N -0.851 119.501 120.400 -0.080 0.000 2.296 68 K HA 0.071 4.394 4.320 0.005 0.000 0.200 68 K C 1.019 177.531 176.600 -0.147 0.000 1.048 68 K CA -0.037 56.198 56.287 -0.086 0.000 0.966 68 K CB -0.555 31.918 32.500 -0.045 0.000 0.754 68 K HN 0.257 nan 8.250 nan 0.000 0.466 69 L N 2.821 123.938 121.223 -0.178 0.000 2.499 69 L HA -0.047 4.296 4.340 0.005 0.000 0.273 69 L C -0.129 176.608 176.870 -0.220 0.000 1.195 69 L CA 0.757 55.466 54.840 -0.219 0.000 0.882 69 L CB 0.354 42.272 42.059 -0.236 0.000 1.133 69 L HN -0.061 nan 8.230 nan 0.000 0.483 70 K N 3.167 123.394 120.400 -0.288 0.000 2.207 70 K HA 0.491 4.814 4.320 0.005 0.000 0.255 70 K C -0.183 176.361 176.600 -0.093 0.000 0.941 70 K CA -0.477 55.681 56.287 -0.214 0.000 0.825 70 K CB 2.022 34.330 32.500 -0.321 0.000 1.119 70 K HN 0.692 nan 8.250 nan 0.000 0.430 71 T N -0.472 114.078 114.554 -0.006 0.000 2.908 71 T HA 0.794 5.147 4.350 0.005 0.000 0.290 71 T C -0.398 174.485 174.700 0.305 0.000 1.034 71 T CA -0.830 61.331 62.100 0.101 0.000 1.010 71 T CB 1.103 69.945 68.868 -0.045 0.000 1.068 71 T HN 0.222 nan 8.240 nan 0.000 0.481 72 L N 1.370 122.824 121.223 0.385 0.000 2.376 72 L HA 0.732 5.075 4.340 0.005 0.000 0.258 72 L C -1.237 175.667 176.870 0.057 0.000 1.013 72 L CA -0.995 54.019 54.840 0.290 0.000 0.822 72 L CB 2.196 44.380 42.059 0.209 0.000 1.388 72 L HN 0.720 nan 8.230 nan 0.000 0.413 73 L N 0.646 121.666 121.223 -0.338 0.000 2.322 73 L HA 0.720 5.063 4.340 0.005 0.000 0.281 73 L C -0.269 176.583 176.870 -0.029 0.000 1.014 73 L CA 0.190 54.724 54.840 -0.509 0.000 0.815 73 L CB 1.774 43.185 42.059 -1.079 0.000 1.247 73 L HN 0.565 nan 8.230 nan 0.000 0.421 74 S N 3.823 119.620 115.700 0.162 0.000 2.489 74 S HA 0.785 5.258 4.470 0.005 0.000 0.291 74 S C -0.757 174.093 174.600 0.417 0.000 1.151 74 S CA -0.613 57.799 58.200 0.353 0.000 1.082 74 S CB 0.820 64.344 63.200 0.540 0.000 1.019 74 S HN 0.495 nan 8.310 nan 0.000 0.492 75 V N 3.809 123.930 119.914 0.345 0.000 2.547 75 V HA 0.953 5.075 4.120 0.005 0.000 0.299 75 V C 1.155 177.266 176.094 0.028 0.000 1.040 75 V CA 0.166 62.585 62.300 0.199 0.000 0.913 75 V CB 0.243 32.196 31.823 0.217 0.000 0.992 75 V HN 1.318 nan 8.190 nan 0.000 0.449 76 G N 2.143 110.644 108.800 -0.498 0.000 2.545 76 G HA2 0.486 4.449 3.960 0.005 0.000 0.211 76 G HA3 0.486 4.449 3.960 0.005 0.000 0.211 76 G C 0.307 174.645 174.900 -0.936 0.000 1.167 76 G CA -0.067 44.571 45.100 -0.771 0.000 1.151 76 G HN 2.720 nan 8.290 nan 0.000 0.581 77 G N -2.293 105.981 108.800 -0.876 0.000 2.555 77 G HA2 0.146 4.109 3.960 0.005 0.000 0.686 77 G HA3 0.146 4.109 3.960 0.005 0.000 0.686 77 G C 0.666 175.334 174.900 -0.386 0.000 1.275 77 G CA 0.430 44.813 45.100 -1.196 0.000 0.871 77 G HN 1.869 nan 8.290 nan 0.000 0.603 78 W N 0.587 121.656 121.300 -0.385 0.000 2.333 78 W HA -0.126 4.537 4.660 0.005 0.000 0.316 78 W C 2.019 178.467 176.519 -0.118 0.000 1.215 78 W CA 1.850 59.064 57.345 -0.218 0.000 1.278 78 W CB -0.040 29.322 29.460 -0.163 0.000 1.154 78 W HN 0.704 nan 8.180 nan 0.000 0.486 79 N N -0.366 118.270 118.700 -0.107 0.000 2.575 79 N HA -0.107 4.636 4.740 0.005 0.000 0.192 79 N C -0.238 175.247 175.510 -0.042 0.000 1.200 79 N CA -0.163 52.818 53.050 -0.115 0.000 0.897 79 N CB -0.298 38.171 38.487 -0.031 0.000 0.990 79 N HN -0.101 nan 8.380 nan 0.000 0.449 80 F N 1.157 120.968 119.950 -0.233 0.000 2.408 80 F HA 0.383 4.913 4.527 0.005 0.000 0.344 80 F C 0.872 176.547 175.800 -0.209 0.000 1.112 80 F CA -0.973 56.948 58.000 -0.133 0.000 1.096 80 F CB 0.900 39.822 39.000 -0.129 0.000 1.129 80 F HN -0.189 nan 8.300 nan 0.000 0.486 81 G N 6.905 115.461 108.800 -0.406 0.000 2.343 81 G HA2 0.210 4.173 3.960 0.005 0.000 0.254 81 G HA3 0.210 4.173 3.960 0.005 0.000 0.254 81 G C -1.912 172.914 174.900 -0.123 0.000 1.277 81 G CA -1.000 43.925 45.100 -0.291 0.000 0.909 81 G HN 0.592 nan 8.290 nan 0.000 0.502 82 P HA -0.049 nan 4.420 nan 0.000 0.226 82 P C 0.852 178.192 177.300 0.068 0.000 1.153 82 P CA 0.765 63.952 63.100 0.145 0.000 0.777 82 P CB 0.567 32.429 31.700 0.270 0.000 0.794 83 E N 0.770 120.952 120.200 -0.029 0.000 2.077 83 E HA -0.139 4.214 4.350 0.005 0.000 0.193 83 E C 2.230 178.748 176.600 -0.137 0.000 0.989 83 E CA 1.131 57.498 56.400 -0.054 0.000 0.800 83 E CB -0.778 28.869 29.700 -0.090 0.000 0.746 83 E HN 0.273 nan 8.360 nan 0.000 0.452 84 R N -0.362 119.999 120.500 -0.232 0.000 2.091 84 R HA -0.112 4.231 4.340 0.005 0.000 0.238 84 R C 2.088 178.176 176.300 -0.354 0.000 1.136 84 R CA 1.313 57.219 56.100 -0.324 0.000 0.959 84 R CB -0.444 29.540 30.300 -0.527 0.000 0.856 84 R HN 0.147 nan 8.270 nan 0.000 0.437 85 F N 0.664 120.336 119.950 -0.463 0.000 2.146 85 F HA -0.185 4.345 4.527 0.005 0.000 0.298 85 F C 2.825 178.092 175.800 -0.887 0.000 1.096 85 F CA 1.560 59.022 58.000 -0.897 0.000 1.275 85 F CB -0.614 37.293 39.000 -1.821 0.000 1.008 85 F HN -0.042 nan 8.300 nan 0.000 0.480 86 S N -0.297 115.173 115.700 -0.382 0.000 2.365 86 S HA -0.252 4.221 4.470 0.005 0.000 0.225 86 S C 2.283 176.848 174.600 -0.059 0.000 1.039 86 S CA 1.437 59.629 58.200 -0.013 0.000 1.033 86 S CB -0.587 62.714 63.200 0.169 0.000 0.887 86 S HN 0.346 nan 8.310 nan 0.000 0.447 87 A N 0.711 123.456 122.820 -0.125 0.000 1.929 87 A HA 0.121 4.444 4.320 0.005 0.000 0.216 87 A C 2.128 179.625 177.584 -0.146 0.000 1.176 87 A CA 1.195 53.157 52.037 -0.124 0.000 0.628 87 A CB -0.619 18.302 19.000 -0.132 0.000 0.816 87 A HN 0.609 nan 8.150 nan 0.000 0.444 88 I N -0.432 120.018 120.570 -0.200 0.000 2.315 88 I HA -0.220 3.952 4.170 0.005 0.000 0.248 88 I C 2.770 178.820 176.117 -0.113 0.000 1.117 88 I CA 1.051 62.235 61.300 -0.194 0.000 1.404 88 I CB -0.069 37.722 38.000 -0.348 0.000 1.071 88 I HN 0.349 nan 8.210 nan 0.000 0.419 89 A N -0.031 122.734 122.820 -0.092 0.000 2.021 89 A HA -0.091 4.232 4.320 0.005 0.000 0.216 89 A C 2.302 179.853 177.584 -0.056 0.000 1.163 89 A CA 1.231 53.284 52.037 0.027 0.000 0.676 89 A CB -0.461 18.649 19.000 0.184 0.000 0.818 89 A HN 0.463 nan 8.150 nan 0.000 0.453 90 S N -0.614 114.958 115.700 -0.213 0.000 2.562 90 S HA 0.144 4.617 4.470 0.005 0.000 0.221 90 S C 0.480 174.884 174.600 -0.326 0.000 0.975 90 S CA 0.048 57.899 58.200 -0.581 0.000 0.918 90 S CB -0.143 62.740 63.200 -0.528 0.000 0.772 90 S HN 0.450 nan 8.310 nan 0.000 0.531 91 K N 2.147 122.452 120.400 -0.159 0.000 2.425 91 K HA 0.293 4.616 4.320 0.005 0.000 0.259 91 K C 1.054 177.628 176.600 -0.043 0.000 0.978 91 K CA 0.048 56.281 56.287 -0.089 0.000 0.883 91 K CB 1.483 33.940 32.500 -0.070 0.000 1.110 91 K HN 0.251 nan 8.250 nan 0.000 0.436 92 T N -0.492 114.048 114.554 -0.022 0.000 2.778 92 T HA -0.279 4.073 4.350 0.005 0.000 0.269 92 T C 1.751 176.457 174.700 0.010 0.000 1.050 92 T CA 1.364 63.467 62.100 0.006 0.000 1.137 92 T CB -0.025 68.850 68.868 0.012 0.000 0.860 92 T HN 0.424 nan 8.240 nan 0.000 0.468 93 Q N 1.656 121.456 119.800 -0.000 0.000 2.049 93 Q HA -0.010 4.333 4.340 0.005 0.000 0.198 93 Q C 2.625 178.632 176.000 0.011 0.000 0.971 93 Q CA 2.005 57.810 55.803 0.004 0.000 0.833 93 Q CB -0.392 28.343 28.738 -0.004 0.000 0.896 93 Q HN 0.815 nan 8.270 nan 0.000 0.434 94 S N -0.615 115.085 115.700 -0.000 0.000 2.489 94 S HA -0.060 4.413 4.470 0.005 0.000 0.228 94 S C 1.803 176.432 174.600 0.048 0.000 0.995 94 S CA 0.680 58.884 58.200 0.005 0.000 0.934 94 S CB -0.122 63.057 63.200 -0.035 0.000 0.771 94 S HN 0.297 nan 8.310 nan 0.000 0.522 95 R N 1.552 122.083 120.500 0.051 0.000 2.073 95 R HA 0.131 4.473 4.340 0.005 0.000 0.229 95 R C 2.669 179.045 176.300 0.127 0.000 1.120 95 R CA 0.773 56.940 56.100 0.112 0.000 0.967 95 R CB -0.193 30.157 30.300 0.084 0.000 0.862 95 R HN 0.334 nan 8.270 nan 0.000 0.436 96 R N -0.243 120.299 120.500 0.070 0.000 2.115 96 R HA -0.072 4.271 4.340 0.005 0.000 0.230 96 R C 1.522 177.852 176.300 0.049 0.000 1.111 96 R CA 1.809 57.937 56.100 0.046 0.000 0.976 96 R CB -0.145 30.172 30.300 0.029 0.000 0.870 96 R HN 0.251 nan 8.270 nan 0.000 0.445 97 T N 0.786 115.379 114.554 0.066 0.000 2.746 97 T HA -0.157 4.196 4.350 0.005 0.000 0.267 97 T C 1.298 176.059 174.700 0.101 0.000 1.039 97 T CA 1.483 63.623 62.100 0.066 0.000 1.142 97 T CB -0.351 68.550 68.868 0.056 0.000 0.866 97 T HN 0.284 nan 8.240 nan 0.000 0.444 98 F N 1.641 121.581 119.950 -0.017 0.000 2.113 98 F HA 0.073 4.603 4.527 0.004 0.000 0.297 98 F C 1.933 177.740 175.800 0.012 0.000 1.103 98 F CA 0.620 58.607 58.000 -0.021 0.000 1.248 98 F CB -0.614 38.361 39.000 -0.042 0.000 0.999 98 F HN 0.063 nan 8.300 nan 0.000 0.475 99 I N 0.424 120.874 120.570 -0.200 0.000 2.127 99 I HA -0.339 3.834 4.170 0.005 0.000 0.241 99 I C 2.333 178.353 176.117 -0.161 0.000 1.075 99 I CA 1.727 62.858 61.300 -0.281 0.000 1.334 99 I CB -0.501 37.439 38.000 -0.101 0.000 1.040 99 I HN 0.057 nan 8.210 nan 0.000 0.405 100 K N 0.739 121.102 120.400 -0.061 0.000 2.280 100 K HA -0.137 4.186 4.320 0.005 0.000 0.202 100 K C 2.076 178.674 176.600 -0.002 0.000 1.047 100 K CA 1.458 57.739 56.287 -0.009 0.000 0.942 100 K CB -0.188 32.319 32.500 0.012 0.000 0.739 100 K HN 0.417 nan 8.250 nan 0.000 0.457 101 S N -1.283 114.395 115.700 -0.037 0.000 2.562 101 S HA 0.006 4.479 4.470 0.005 0.000 0.221 101 S C 1.759 176.362 174.600 0.005 0.000 0.975 101 S CA 0.318 58.517 58.200 -0.003 0.000 0.918 101 S CB 0.039 63.238 63.200 -0.002 0.000 0.772 101 S HN -0.014 nan 8.310 nan 0.000 0.531 102 V N 2.747 122.624 119.914 -0.061 0.000 2.302 102 V HA 0.038 4.161 4.120 0.005 0.000 0.243 102 V C -0.418 175.759 176.094 0.138 0.000 1.036 102 V CA 1.345 63.654 62.300 0.015 0.000 1.020 102 V CB -1.420 30.363 31.823 -0.066 0.000 0.657 102 V HN 0.353 nan 8.190 nan 0.000 0.453 103 P HA -0.098 nan 4.420 nan 0.000 0.214 103 P C -1.356 175.979 177.300 0.059 0.000 1.163 103 P CA 1.984 65.110 63.100 0.043 0.000 0.883 103 P CB -1.179 30.549 31.700 0.047 0.000 0.788 104 P HA -0.177 nan 4.420 nan 0.000 0.216 104 P C 1.457 178.836 177.300 0.133 0.000 1.150 104 P CA 1.128 64.280 63.100 0.087 0.000 0.837 104 P CB -0.456 31.303 31.700 0.098 0.000 0.786 105 F N -0.391 119.597 119.950 0.063 0.000 2.113 105 F HA -0.145 4.385 4.527 0.004 0.000 0.297 105 F C 1.880 177.784 175.800 0.174 0.000 1.103 105 F CA 1.293 59.379 58.000 0.144 0.000 1.248 105 F CB -0.855 38.240 39.000 0.158 0.000 0.999 105 F HN -0.248 nan 8.300 nan 0.000 0.475 106 L N 0.149 121.503 121.223 0.217 0.000 2.046 106 L HA -0.165 4.178 4.340 0.005 0.000 0.208 106 L C 2.480 179.385 176.870 0.058 0.000 1.077 106 L CA 1.618 56.544 54.840 0.145 0.000 0.747 106 L CB -1.224 40.880 42.059 0.075 0.000 0.896 106 L HN 0.006 nan 8.230 nan 0.000 0.432 107 R N -1.317 119.180 120.500 -0.005 0.000 2.115 107 R HA -0.084 4.259 4.340 0.005 0.000 0.230 107 R C 2.207 178.442 176.300 -0.109 0.000 1.111 107 R CA 1.504 57.572 56.100 -0.054 0.000 0.976 107 R CB -0.540 29.730 30.300 -0.051 0.000 0.870 107 R HN 0.306 nan 8.270 nan 0.000 0.445 108 T N -0.417 114.034 114.554 -0.173 0.000 2.777 108 T HA -0.076 4.277 4.350 0.005 0.000 0.266 108 T C 0.952 175.383 174.700 -0.450 0.000 1.040 108 T CA 1.125 63.026 62.100 -0.332 0.000 1.141 108 T CB -0.159 68.421 68.868 -0.481 0.000 0.868 108 T HN 0.335 nan 8.240 nan 0.000 0.444 109 H N 0.025 119.004 119.070 -0.152 0.000 2.526 109 H HA 0.339 4.898 4.556 0.005 0.000 0.274 109 H C 1.737 176.917 175.328 -0.247 0.000 0.999 109 H CA 0.417 56.385 56.048 -0.133 0.000 1.157 109 H CB -0.089 29.638 29.762 -0.059 0.000 1.407 109 H HN 0.515 nan 8.280 nan 0.000 0.568 110 G N 1.014 109.726 108.800 -0.147 0.000 2.176 110 G HA2 -0.279 3.684 3.960 0.005 0.000 0.252 110 G HA3 -0.279 3.684 3.960 0.005 0.000 0.252 110 G C -0.204 174.503 174.900 -0.322 0.000 1.024 110 G CA -0.137 44.829 45.100 -0.224 0.000 0.755 110 G HN 0.201 nan 8.290 nan 0.000 0.507 111 F N 0.161 120.036 119.950 -0.126 0.000 2.370 111 F HA 0.453 4.982 4.527 0.004 0.000 0.324 111 F C 1.331 177.074 175.800 -0.096 0.000 1.116 111 F CA -0.422 57.508 58.000 -0.117 0.000 1.123 111 F CB 0.952 39.877 39.000 -0.125 0.000 1.238 111 F HN 0.009 nan 8.300 nan 0.000 0.536 112 D N 0.638 121.124 120.400 0.144 0.000 2.369 112 D HA 0.264 4.906 4.640 0.005 0.000 0.211 112 D C 0.642 176.976 176.300 0.057 0.000 1.077 112 D CA 0.425 54.457 54.000 0.053 0.000 0.842 112 D CB 0.852 41.669 40.800 0.029 0.000 0.947 112 D HN 0.622 nan 8.370 nan 0.000 0.509 113 G N 0.468 109.334 108.800 0.110 0.000 2.441 113 G HA2 0.410 4.373 3.960 0.005 0.000 0.294 113 G HA3 0.410 4.373 3.960 0.005 0.000 0.294 113 G C -2.305 172.663 174.900 0.113 0.000 1.393 113 G CA -0.748 44.402 45.100 0.084 0.000 0.796 113 G HN 0.036 nan 8.290 nan 0.000 0.494 114 L N 0.275 121.615 121.223 0.195 0.000 2.346 114 L HA 0.843 5.186 4.340 0.005 0.000 0.274 114 L C -1.201 175.769 176.870 0.167 0.000 1.007 114 L CA -0.646 54.311 54.840 0.196 0.000 0.818 114 L CB 2.163 44.412 42.059 0.317 0.000 1.284 114 L HN 0.616 nan 8.230 nan 0.000 0.424 115 D N 3.513 124.012 120.400 0.166 0.000 2.391 115 D HA 0.442 5.085 4.640 0.005 0.000 0.245 115 D C -1.364 175.074 176.300 0.229 0.000 1.069 115 D CA -0.157 53.947 54.000 0.174 0.000 0.831 115 D CB 1.158 42.100 40.800 0.238 0.000 1.204 115 D HN 0.533 nan 8.370 nan 0.000 0.503 116 L N 3.028 124.362 121.223 0.184 0.000 2.272 116 L HA 0.651 4.994 4.340 0.005 0.000 0.289 116 L C 0.053 177.009 176.870 0.143 0.000 1.032 116 L CA -0.839 54.108 54.840 0.179 0.000 0.810 116 L CB 1.658 43.797 42.059 0.133 0.000 1.205 116 L HN 0.585 nan 8.230 nan 0.000 0.422 117 A N 4.085 126.977 122.820 0.120 0.000 3.218 117 A HA 0.177 4.500 4.320 0.005 0.000 0.321 117 A C -0.894 176.646 177.584 -0.072 0.000 1.012 117 A CA -0.441 51.637 52.037 0.068 0.000 0.948 117 A CB -0.044 19.047 19.000 0.152 0.000 1.050 117 A HN 0.710 nan 8.150 nan 0.000 0.492 118 W N 2.879 123.906 121.300 -0.455 0.000 2.437 118 W HA 0.539 5.202 4.660 0.005 0.000 0.312 118 W C -1.447 174.872 176.519 -0.333 0.000 1.242 118 W CA -0.834 56.126 57.345 -0.643 0.000 1.340 118 W CB 0.255 29.150 29.460 -0.941 0.000 1.327 118 W HN 0.358 nan 8.180 nan 0.000 0.476 119 L N 9.186 130.427 121.223 0.030 0.000 2.401 119 L HA 0.363 4.706 4.340 0.005 0.000 0.263 119 L C -1.130 175.540 176.870 -0.333 0.000 1.004 119 L CA -0.690 53.805 54.840 -0.575 0.000 0.881 119 L CB 0.214 41.835 42.059 -0.730 0.000 1.219 119 L HN 0.245 nan 8.230 nan 0.000 0.441 120 Y N 1.484 121.873 120.300 0.148 0.000 2.609 120 Y HA 0.581 5.133 4.550 0.005 0.000 0.342 120 Y C -2.445 173.297 175.900 -0.264 0.000 1.058 120 Y CA -2.619 55.472 58.100 -0.014 0.000 1.055 120 Y CB 1.845 40.322 38.460 0.029 0.000 1.292 120 Y HN 0.303 nan 8.280 nan 0.000 0.476 121 P HA 0.245 nan 4.420 nan 0.000 0.280 121 P C -0.158 176.890 177.300 -0.419 0.000 1.244 121 P CA -0.116 62.426 63.100 -0.930 0.000 0.784 121 P CB 0.942 31.731 31.700 -1.519 0.000 0.913 122 G N 1.689 110.364 108.800 -0.209 0.000 2.568 122 G HA2 0.182 4.144 3.960 0.005 0.000 0.293 122 G HA3 0.182 4.144 3.960 0.005 0.000 0.293 122 G C 0.836 175.652 174.900 -0.141 0.000 1.347 122 G CA -0.592 44.440 45.100 -0.114 0.000 1.039 122 G HN 0.430 nan 8.290 nan 0.000 0.523 123 R N -0.660 119.788 120.500 -0.086 0.000 2.105 123 R HA -0.041 4.301 4.340 0.005 0.000 0.239 123 R C 2.340 178.595 176.300 -0.075 0.000 1.135 123 R CA 1.241 57.293 56.100 -0.081 0.000 0.967 123 R CB -0.151 30.120 30.300 -0.048 0.000 0.861 123 R HN 0.487 nan 8.270 nan 0.000 0.442 124 R N -0.106 120.374 120.500 -0.034 0.000 2.307 124 R HA -0.016 4.327 4.340 0.005 0.000 0.199 124 R C 0.815 177.123 176.300 0.013 0.000 1.000 124 R CA 0.808 56.907 56.100 -0.001 0.000 1.023 124 R CB 0.190 30.520 30.300 0.051 0.000 0.908 124 R HN 0.374 nan 8.270 nan 0.000 0.473 125 D N 0.384 120.769 120.400 -0.027 0.000 2.338 125 D HA -0.069 4.574 4.640 0.005 0.000 0.208 125 D C 1.507 177.686 176.300 -0.202 0.000 0.997 125 D CA 0.324 54.322 54.000 -0.003 0.000 0.880 125 D CB 0.153 40.910 40.800 -0.071 0.000 0.980 125 D HN 0.097 nan 8.370 nan 0.000 0.509 126 K N 1.621 121.859 120.400 -0.270 0.000 2.071 126 K HA -0.253 4.070 4.320 0.005 0.000 0.217 126 K C 2.133 178.602 176.600 -0.218 0.000 1.054 126 K CA 1.371 57.496 56.287 -0.269 0.000 0.937 126 K CB 0.074 32.454 32.500 -0.200 0.000 0.719 126 K HN -0.073 nan 8.250 nan 0.000 0.454 127 R N -0.494 119.837 120.500 -0.280 0.000 2.096 127 R HA -0.138 4.205 4.340 0.005 0.000 0.235 127 R C 2.179 178.351 176.300 -0.213 0.000 1.127 127 R CA 1.752 57.683 56.100 -0.283 0.000 0.968 127 R CB -0.256 29.805 30.300 -0.398 0.000 0.861 127 R HN 0.519 nan 8.270 nan 0.000 0.440 128 H N 0.105 119.200 119.070 0.042 0.000 2.470 128 H HA -0.067 4.492 4.556 0.005 0.000 0.289 128 H C 2.043 177.458 175.328 0.145 0.000 1.033 128 H CA 0.493 56.604 56.048 0.106 0.000 1.331 128 H CB -0.201 29.660 29.762 0.165 0.000 1.414 128 H HN 0.186 nan 8.280 nan 0.000 0.545 129 L N 0.853 122.166 121.223 0.150 0.000 2.017 129 L HA -0.158 4.185 4.340 0.005 0.000 0.208 129 L C 1.841 178.764 176.870 0.088 0.000 1.073 129 L CA 1.605 56.507 54.840 0.104 0.000 0.745 129 L CB -0.551 41.365 42.059 -0.239 0.000 0.894 129 L HN 0.177 nan 8.230 nan 0.000 0.432 130 T N -0.420 114.154 114.554 0.033 0.000 2.759 130 T HA -0.172 4.181 4.350 0.005 0.000 0.269 130 T C 1.717 176.448 174.700 0.052 0.000 1.042 130 T CA 1.978 64.105 62.100 0.045 0.000 1.140 130 T CB -0.334 68.549 68.868 0.024 0.000 0.864 130 T HN 0.480 nan 8.240 nan 0.000 0.455 131 T N 2.246 116.843 114.554 0.073 0.000 2.812 131 T HA 0.011 4.364 4.350 0.005 0.000 0.264 131 T C 1.877 176.612 174.700 0.059 0.000 1.042 131 T CA 0.661 62.801 62.100 0.066 0.000 1.140 131 T CB -0.441 68.496 68.868 0.116 0.000 0.870 131 T HN 0.145 nan 8.240 nan 0.000 0.445 132 L N 1.548 122.845 121.223 0.123 0.000 2.046 132 L HA -0.009 4.334 4.340 0.005 0.000 0.208 132 L C 2.377 179.279 176.870 0.053 0.000 1.077 132 L CA 1.464 56.386 54.840 0.137 0.000 0.747 132 L CB -0.810 41.402 42.059 0.256 0.000 0.896 132 L HN 0.068 nan 8.230 nan 0.000 0.432 133 V N -0.376 119.562 119.914 0.041 0.000 2.307 133 V HA -0.275 3.848 4.120 0.005 0.000 0.245 133 V C 2.631 178.644 176.094 -0.134 0.000 1.045 133 V CA 1.960 64.252 62.300 -0.014 0.000 1.024 133 V CB -0.556 31.296 31.823 0.048 0.000 0.651 133 V HN 0.443 nan 8.190 nan 0.000 0.449 134 K N -0.081 120.200 120.400 -0.198 0.000 1.978 134 K HA -0.236 4.087 4.320 0.005 0.000 0.214 134 K C 2.197 178.622 176.600 -0.292 0.000 1.049 134 K CA 2.139 58.158 56.287 -0.446 0.000 0.939 134 K CB -0.250 32.052 32.500 -0.329 0.000 0.721 134 K HN 0.518 nan 8.250 nan 0.000 0.441 135 E N 0.184 120.286 120.200 -0.164 0.000 2.153 135 E HA -0.228 4.125 4.350 0.005 0.000 0.194 135 E C 1.917 178.417 176.600 -0.165 0.000 0.988 135 E CA 1.259 57.587 56.400 -0.120 0.000 0.811 135 E CB -0.054 29.614 29.700 -0.053 0.000 0.746 135 E HN 0.189 nan 8.360 nan 0.000 0.466 136 M N 1.046 120.513 119.600 -0.222 0.000 2.132 136 M HA -0.145 4.338 4.480 0.005 0.000 0.263 136 M C 1.982 177.908 176.300 -0.625 0.000 1.065 136 M CA 1.598 56.647 55.300 -0.419 0.000 1.122 136 M CB 0.066 32.418 32.600 -0.414 0.000 1.365 136 M HN -0.218 nan 8.290 nan 0.000 0.411 137 K N 0.275 120.428 120.400 -0.411 0.000 2.025 137 K HA 0.071 4.394 4.320 0.005 0.000 0.207 137 K C 1.840 178.380 176.600 -0.101 0.000 1.049 137 K CA 1.833 57.967 56.287 -0.255 0.000 0.933 137 K CB -0.869 31.568 32.500 -0.105 0.000 0.714 137 K HN 0.368 nan 8.250 nan 0.000 0.438 138 A N 0.649 123.400 122.820 -0.114 0.000 1.917 138 A HA -0.230 4.093 4.320 0.005 0.000 0.219 138 A C 2.149 179.739 177.584 0.009 0.000 1.182 138 A CA 2.219 54.232 52.037 -0.040 0.000 0.633 138 A CB -0.751 18.212 19.000 -0.061 0.000 0.819 138 A HN 0.537 nan 8.150 nan 0.000 0.448 139 E N -0.992 119.198 120.200 -0.017 0.000 2.150 139 E HA -0.123 4.230 4.350 0.005 0.000 0.193 139 E C 1.524 178.269 176.600 0.242 0.000 0.985 139 E CA 1.111 57.552 56.400 0.068 0.000 0.814 139 E CB -0.355 29.360 29.700 0.025 0.000 0.752 139 E HN 0.506 nan 8.360 nan 0.000 0.466 140 F N 0.318 120.267 119.950 -0.002 0.000 2.206 140 F HA 0.034 4.564 4.527 0.004 0.000 0.298 140 F C 2.074 177.883 175.800 0.016 0.000 1.090 140 F CA 0.526 58.532 58.000 0.009 0.000 1.323 140 F CB -0.618 38.391 39.000 0.015 0.000 1.028 140 F HN 0.102 nan 8.300 nan 0.000 0.492 141 I N -0.626 120.073 120.570 0.214 0.000 2.202 141 I HA -0.287 3.886 4.170 0.005 0.000 0.242 141 I C 2.596 178.768 176.117 0.092 0.000 1.091 141 I CA 1.006 62.382 61.300 0.126 0.000 1.368 141 I CB -0.329 37.728 38.000 0.095 0.000 1.058 141 I HN -0.035 nan 8.210 nan 0.000 0.410 142 R N 0.742 121.295 120.500 0.088 0.000 2.094 142 R HA -0.224 4.118 4.340 0.005 0.000 0.239 142 R C 2.386 178.722 176.300 0.060 0.000 1.137 142 R CA 1.658 57.797 56.100 0.064 0.000 0.943 142 R CB -0.309 30.027 30.300 0.060 0.000 0.850 142 R HN 0.232 nan 8.270 nan 0.000 0.433 143 E N 0.086 120.332 120.200 0.078 0.000 2.209 143 E HA -0.167 4.186 4.350 0.005 0.000 0.196 143 E C 1.538 178.152 176.600 0.022 0.000 0.993 143 E CA 1.321 57.750 56.400 0.048 0.000 0.819 143 E CB -0.031 29.701 29.700 0.052 0.000 0.745 143 E HN 0.420 nan 8.360 nan 0.000 0.477 144 A N 0.587 123.425 122.820 0.030 0.000 2.121 144 A HA -0.149 4.174 4.320 0.005 0.000 0.218 144 A C 1.976 179.569 177.584 0.015 0.000 1.154 144 A CA 0.877 52.923 52.037 0.015 0.000 0.679 144 A CB -0.346 18.670 19.000 0.027 0.000 0.795 144 A HN 0.279 nan 8.150 nan 0.000 0.458 145 Q N -0.582 119.231 119.800 0.022 0.000 2.291 145 Q HA -0.084 4.258 4.340 0.005 0.000 0.206 145 Q C 1.965 177.972 176.000 0.011 0.000 0.976 145 Q CA 1.068 56.882 55.803 0.018 0.000 0.875 145 Q CB -0.341 28.410 28.738 0.021 0.000 0.927 145 Q HN 0.691 nan 8.270 nan 0.000 0.450 146 A N -0.099 122.726 122.820 0.007 0.000 2.239 146 A HA 0.230 4.553 4.320 0.005 0.000 0.209 146 A C 1.438 179.020 177.584 -0.003 0.000 1.171 146 A CA 0.830 52.869 52.037 0.002 0.000 0.768 146 A CB -0.416 18.584 19.000 -0.000 0.000 0.790 146 A HN 0.465 nan 8.150 nan 0.000 0.478 147 G N -1.294 107.505 108.800 -0.002 0.000 2.159 147 G HA2 -0.202 3.761 3.960 0.005 0.000 0.227 147 G HA3 -0.202 3.761 3.960 0.005 0.000 0.227 147 G C 0.371 175.265 174.900 -0.011 0.000 0.986 147 G CA 0.564 45.661 45.100 -0.005 0.000 0.651 147 G HN 1.336 nan 8.290 nan 0.000 0.523 148 T N -1.838 112.707 114.554 -0.015 0.000 2.944 148 T HA 0.664 5.017 4.350 0.005 0.000 0.284 148 T C 0.005 174.692 174.700 -0.022 0.000 1.010 148 T CA -0.287 61.799 62.100 -0.024 0.000 1.025 148 T CB 2.612 71.459 68.868 -0.035 0.000 1.079 148 T HN 0.327 nan 8.240 nan 0.000 0.516 149 E N 1.031 121.215 120.200 -0.027 0.000 2.366 149 E HA 0.027 4.380 4.350 0.005 0.000 0.266 149 E C 0.250 176.833 176.600 -0.029 0.000 1.015 149 E CA -0.240 56.148 56.400 -0.020 0.000 0.906 149 E CB 0.496 30.183 29.700 -0.021 0.000 0.979 149 E HN 0.595 nan 8.360 nan 0.000 0.443 150 Q N 3.747 123.542 119.800 -0.009 0.000 2.310 150 Q HA -0.044 4.299 4.340 0.005 0.000 0.315 150 Q C -0.699 175.274 176.000 -0.046 0.000 1.081 150 Q CA 0.061 55.858 55.803 -0.010 0.000 0.981 150 Q CB 0.509 29.274 28.738 0.045 0.000 1.184 150 Q HN 0.551 nan 8.270 nan 0.000 0.389 151 L N 4.447 125.568 121.223 -0.170 0.000 2.397 151 L HA 0.191 4.533 4.340 0.005 0.000 0.271 151 L C -0.088 176.757 176.870 -0.043 0.000 1.148 151 L CA -0.307 54.352 54.840 -0.302 0.000 0.825 151 L CB 0.409 41.889 42.059 -0.965 0.000 1.117 151 L HN 0.587 nan 8.230 nan 0.000 0.456 152 L N 3.558 124.818 121.223 0.061 0.000 2.375 152 L HA 0.390 4.732 4.340 0.005 0.000 0.271 152 L C -0.459 176.579 176.870 0.281 0.000 1.107 152 L CA -0.417 54.540 54.840 0.194 0.000 0.806 152 L CB 1.256 43.445 42.059 0.218 0.000 1.146 152 L HN 0.370 nan 8.230 nan 0.000 0.447 153 L N 2.721 124.068 121.223 0.208 0.000 2.381 153 L HA 0.624 4.966 4.340 0.005 0.000 0.274 153 L C -0.261 176.532 176.870 -0.128 0.000 0.988 153 L CA 0.190 55.106 54.840 0.127 0.000 0.824 153 L CB 1.746 43.854 42.059 0.082 0.000 1.263 153 L HN 0.749 nan 8.230 nan 0.000 0.410 154 S N 3.405 118.972 115.700 -0.221 0.000 2.697 154 S HA 1.046 5.519 4.470 0.005 0.000 0.289 154 S C -0.865 173.642 174.600 -0.155 0.000 1.149 154 S CA -0.253 57.665 58.200 -0.471 0.000 0.850 154 S CB 1.881 64.389 63.200 -1.153 0.000 1.151 154 S HN 1.225 nan 8.310 nan 0.000 0.491 155 A N 0.013 122.773 122.820 -0.099 0.000 2.549 155 A HA 0.879 5.202 4.320 0.005 0.000 0.297 155 A C -0.628 177.020 177.584 0.107 0.000 1.061 155 A CA -0.484 51.580 52.037 0.046 0.000 0.690 155 A CB 1.206 20.236 19.000 0.050 0.000 1.287 155 A HN 1.837 nan 8.150 nan 0.000 0.402 156 A N 1.244 124.162 122.820 0.164 0.000 2.260 156 A HA 0.652 4.974 4.320 0.005 0.000 0.308 156 A C -0.577 177.072 177.584 0.107 0.000 1.254 156 A CA -0.360 51.783 52.037 0.176 0.000 0.874 156 A CB 0.343 19.474 19.000 0.217 0.000 1.153 156 A HN 1.274 nan 8.150 nan 0.000 0.527 157 V N 2.428 122.361 119.914 0.032 0.000 2.555 157 V HA 0.424 4.546 4.120 0.005 0.000 0.302 157 V C 0.862 176.901 176.094 -0.092 0.000 1.038 157 V CA -0.540 61.703 62.300 -0.096 0.000 0.887 157 V CB 1.845 33.480 31.823 -0.315 0.000 0.991 157 V HN 1.048 nan 8.190 nan 0.000 0.434 158 S N 3.423 119.119 115.700 -0.006 0.000 2.558 158 S HA 0.243 4.716 4.470 0.005 0.000 0.287 158 S C 1.043 175.549 174.600 -0.157 0.000 1.321 158 S CA 0.354 58.528 58.200 -0.044 0.000 1.048 158 S CB 1.006 64.101 63.200 -0.174 0.000 0.844 158 S HN 1.156 nan 8.310 nan 0.000 0.512 159 A N 3.786 126.506 122.820 -0.167 0.000 2.387 159 A HA 0.476 4.799 4.320 0.005 0.000 0.234 159 A C 0.955 178.621 177.584 0.136 0.000 1.253 159 A CA 0.161 52.178 52.037 -0.034 0.000 0.894 159 A CB -0.404 18.555 19.000 -0.068 0.000 0.963 159 A HN 1.013 nan 8.150 nan 0.000 0.508 160 G N -0.107 108.709 108.800 0.027 0.000 2.333 160 G HA2 0.324 4.287 3.960 0.005 0.000 0.290 160 G HA3 0.324 4.287 3.960 0.005 0.000 0.290 160 G C 0.806 175.744 174.900 0.063 0.000 1.150 160 G CA -0.359 44.806 45.100 0.108 0.000 0.895 160 G HN 0.148 nan 8.290 nan 0.000 0.444 161 K N 2.415 122.842 120.400 0.045 0.000 2.052 161 K HA -0.191 4.132 4.320 0.005 0.000 0.215 161 K C 2.208 178.758 176.600 -0.084 0.000 1.053 161 K CA 1.466 57.683 56.287 -0.117 0.000 0.934 161 K CB -0.175 31.995 32.500 -0.551 0.000 0.717 161 K HN 0.663 nan 8.250 nan 0.000 0.450 162 I N 0.394 120.900 120.570 -0.107 0.000 2.252 162 I HA -0.256 3.916 4.170 0.005 0.000 0.245 162 I C 2.463 178.569 176.117 -0.019 0.000 1.102 162 I CA 1.106 62.365 61.300 -0.068 0.000 1.385 162 I CB -0.307 37.658 38.000 -0.058 0.000 1.064 162 I HN 0.188 nan 8.210 nan 0.000 0.414 163 A N 0.928 123.732 122.820 -0.026 0.000 1.902 163 A HA -0.163 4.160 4.320 0.005 0.000 0.217 163 A C 2.278 179.949 177.584 0.144 0.000 1.181 163 A CA 1.442 53.467 52.037 -0.021 0.000 0.623 163 A CB -0.721 18.179 19.000 -0.166 0.000 0.818 163 A HN 0.368 nan 8.150 nan 0.000 0.443 164 I N -0.329 120.333 120.570 0.154 0.000 2.202 164 I HA -0.207 3.966 4.170 0.005 0.000 0.242 164 I C 1.853 178.100 176.117 0.217 0.000 1.091 164 I CA 1.423 62.861 61.300 0.229 0.000 1.368 164 I CB -0.396 37.679 38.000 0.125 0.000 1.058 164 I HN 0.216 nan 8.210 nan 0.000 0.410 165 D N 0.385 120.876 120.400 0.151 0.000 2.144 165 D HA -0.175 4.468 4.640 0.005 0.000 0.199 165 D C 2.224 178.547 176.300 0.039 0.000 0.984 165 D CA 0.990 55.049 54.000 0.097 0.000 0.834 165 D CB -0.210 40.638 40.800 0.080 0.000 0.955 165 D HN 0.212 nan 8.370 nan 0.000 0.465 166 R N -0.161 120.350 120.500 0.019 0.000 2.062 166 R HA -0.022 4.321 4.340 0.005 0.000 0.229 166 R C 1.730 177.968 176.300 -0.103 0.000 1.128 166 R CA 1.454 57.531 56.100 -0.038 0.000 0.960 166 R CB -0.075 30.197 30.300 -0.047 0.000 0.855 166 R HN 0.181 nan 8.270 nan 0.000 0.432 167 G N -1.407 107.292 108.800 -0.168 0.000 3.228 167 G HA2 0.144 4.107 3.960 0.005 0.000 0.245 167 G HA3 0.144 4.107 3.960 0.005 0.000 0.245 167 G C -0.612 173.940 174.900 -0.580 0.000 1.051 167 G CA -0.258 44.579 45.100 -0.437 0.000 0.809 167 G HN 0.142 nan 8.290 nan 0.000 0.531 168 Y N -0.116 120.103 120.300 -0.135 0.000 2.425 168 Y HA 0.448 5.001 4.550 0.006 0.000 0.344 168 Y C -0.986 174.855 175.900 -0.099 0.000 0.969 168 Y CA -1.494 56.531 58.100 -0.125 0.000 1.052 168 Y CB 2.251 40.648 38.460 -0.106 0.000 1.215 168 Y HN -0.114 nan 8.280 nan 0.000 0.451 169 D N 3.640 124.079 120.400 0.065 0.000 2.518 169 D HA 0.183 4.826 4.640 0.005 0.000 0.230 169 D C 0.928 177.240 176.300 0.020 0.000 1.138 169 D CA -0.003 54.006 54.000 0.015 0.000 0.964 169 D CB 0.373 41.169 40.800 -0.006 0.000 1.011 169 D HN 0.470 nan 8.370 nan 0.000 0.517 170 I N 1.938 122.506 120.570 -0.002 0.000 2.194 170 I HA -0.279 3.894 4.170 0.005 0.000 0.246 170 I C 2.280 178.371 176.117 -0.045 0.000 1.093 170 I CA 0.984 62.261 61.300 -0.038 0.000 1.355 170 I CB -1.315 36.623 38.000 -0.103 0.000 1.046 170 I HN 0.347 nan 8.210 nan 0.000 0.413 171 A N -0.062 122.726 122.820 -0.053 0.000 1.933 171 A HA -0.204 4.119 4.320 0.005 0.000 0.218 171 A C 2.251 179.806 177.584 -0.048 0.000 1.175 171 A CA 1.250 53.255 52.037 -0.055 0.000 0.628 171 A CB -0.378 18.589 19.000 -0.055 0.000 0.814 171 A HN 0.424 nan 8.150 nan 0.000 0.444 172 Q N -0.161 119.625 119.800 -0.023 0.000 2.020 172 Q HA -0.101 4.242 4.340 0.005 0.000 0.198 172 Q C 2.238 178.253 176.000 0.024 0.000 0.974 172 Q CA 1.728 57.531 55.803 0.000 0.000 0.829 172 Q CB -0.520 28.243 28.738 0.041 0.000 0.894 172 Q HN 0.935 nan 8.270 nan 0.000 0.433 173 I N -1.951 118.651 120.570 0.053 0.000 2.830 173 I HA -0.061 4.112 4.170 0.005 0.000 0.263 173 I C 1.849 177.985 176.117 0.032 0.000 1.230 173 I CA 0.788 62.140 61.300 0.086 0.000 1.480 173 I CB -0.196 37.855 38.000 0.085 0.000 1.095 173 I HN -0.152 nan 8.210 nan 0.000 0.455 174 S N 2.069 117.759 115.700 -0.017 0.000 2.402 174 S HA -0.103 4.370 4.470 0.005 0.000 0.229 174 S C 2.002 176.564 174.600 -0.062 0.000 1.021 174 S CA 1.571 59.753 58.200 -0.031 0.000 0.974 174 S CB -0.324 62.852 63.200 -0.040 0.000 0.800 174 S HN 0.651 nan 8.310 nan 0.000 0.484 175 R N 0.280 120.687 120.500 -0.154 0.000 2.236 175 R HA 0.104 4.447 4.340 0.005 0.000 0.208 175 R C 1.188 177.324 176.300 -0.273 0.000 1.036 175 R CA 1.012 56.967 56.100 -0.240 0.000 1.001 175 R CB -0.440 29.657 30.300 -0.339 0.000 0.896 175 R HN 0.430 nan 8.270 nan 0.000 0.464 176 H N 0.324 119.397 119.070 0.006 0.000 2.648 176 H HA 0.304 4.863 4.556 0.005 0.000 0.265 176 H C 0.441 175.769 175.328 -0.000 0.000 0.961 176 H CA 0.001 56.050 56.048 0.002 0.000 1.185 176 H CB 0.504 30.261 29.762 -0.008 0.000 1.449 176 H HN 0.047 nan 8.280 nan 0.000 0.523 177 L N 1.170 122.444 121.223 0.086 0.000 2.343 177 L HA 0.140 4.483 4.340 0.005 0.000 0.275 177 L C 1.106 177.995 176.870 0.032 0.000 1.056 177 L CA -0.482 54.377 54.840 0.032 0.000 0.804 177 L CB 1.540 43.597 42.059 -0.003 0.000 1.203 177 L HN -0.051 nan 8.230 nan 0.000 0.440 178 D N 1.824 122.232 120.400 0.012 0.000 2.183 178 D HA 0.011 4.654 4.640 0.005 0.000 0.203 178 D C -0.219 176.218 176.300 0.228 0.000 0.969 178 D CA 1.419 55.485 54.000 0.111 0.000 0.842 178 D CB 0.306 41.201 40.800 0.159 0.000 0.957 178 D HN 0.340 nan 8.370 nan 0.000 0.484 179 F N -1.371 118.607 119.950 0.047 0.000 2.725 179 F HA 0.475 5.005 4.527 0.005 0.000 0.309 179 F C -1.818 174.009 175.800 0.044 0.000 1.132 179 F CA -1.351 56.666 58.000 0.027 0.000 0.957 179 F CB 0.795 39.790 39.000 -0.010 0.000 1.286 179 F HN -0.382 nan 8.300 nan 0.000 0.440 180 I N 2.256 122.970 120.570 0.240 0.000 2.418 180 I HA 0.392 4.565 4.170 0.005 0.000 0.287 180 I C -0.601 175.650 176.117 0.223 0.000 1.008 180 I CA -0.812 60.573 61.300 0.142 0.000 1.104 180 I CB 2.103 40.139 38.000 0.060 0.000 1.264 180 I HN 0.630 nan 8.210 nan 0.000 0.438 181 S N 6.849 122.692 115.700 0.237 0.000 2.422 181 S HA 0.429 4.902 4.470 0.005 0.000 0.298 181 S C -0.140 174.542 174.600 0.136 0.000 1.118 181 S CA -0.517 57.836 58.200 0.255 0.000 1.083 181 S CB 0.593 64.022 63.200 0.381 0.000 0.971 181 S HN 0.384 nan 8.310 nan 0.000 0.478 182 L N 4.659 125.940 121.223 0.097 0.000 2.313 182 L HA 0.292 4.634 4.340 0.005 0.000 0.282 182 L C -0.116 176.721 176.870 -0.054 0.000 1.092 182 L CA -0.335 54.514 54.840 0.015 0.000 0.831 182 L CB 0.532 42.615 42.059 0.040 0.000 1.159 182 L HN 0.576 nan 8.230 nan 0.000 0.442 183 L N 4.695 125.805 121.223 -0.190 0.000 2.437 183 L HA 0.056 4.399 4.340 0.005 0.000 0.243 183 L C 0.977 177.434 176.870 -0.688 0.000 1.346 183 L CA -0.181 54.340 54.840 -0.532 0.000 1.233 183 L CB -0.507 41.272 42.059 -0.466 0.000 1.436 183 L HN 0.659 nan 8.230 nan 0.000 0.416 184 T N -2.584 111.722 114.554 -0.412 0.000 3.792 184 T HA 0.059 4.412 4.350 0.005 0.000 0.233 184 T C 0.384 174.975 174.700 -0.182 0.000 0.860 184 T CA -0.221 61.735 62.100 -0.239 0.000 0.915 184 T CB -0.750 68.171 68.868 0.090 0.000 1.216 184 T HN 0.544 nan 8.240 nan 0.000 0.664 185 Y N -2.558 117.582 120.300 -0.267 0.000 2.957 185 Y HA 0.523 5.075 4.550 0.004 0.000 0.274 185 Y C -0.603 175.305 175.900 0.014 0.000 1.065 185 Y CA -1.682 56.348 58.100 -0.116 0.000 1.273 185 Y CB -0.248 38.206 38.460 -0.010 0.000 1.358 185 Y HN 0.170 nan 8.280 nan 0.000 0.585 186 D N 0.455 120.752 120.400 -0.171 0.000 2.957 186 D HA 0.264 4.907 4.640 0.005 0.000 0.352 186 D C 0.241 176.516 176.300 -0.041 0.000 1.352 186 D CA -0.136 53.888 54.000 0.041 0.000 0.831 186 D CB -0.377 40.397 40.800 -0.042 0.000 1.147 186 D HN 0.191 nan 8.370 nan 0.000 0.467 187 F N 0.049 120.114 119.950 0.192 0.000 2.512 187 F HA 0.069 4.599 4.527 0.005 0.000 0.296 187 F C 1.115 177.051 175.800 0.227 0.000 1.110 187 F CA 0.698 58.792 58.000 0.156 0.000 1.446 187 F CB 0.215 39.292 39.000 0.129 0.000 1.092 187 F HN 0.139 nan 8.300 nan 0.000 0.554 188 H N -1.177 118.121 119.070 0.379 0.000 3.287 188 H HA 0.452 5.011 4.556 0.005 0.000 0.329 188 H C 0.291 175.850 175.328 0.385 0.000 1.130 188 H CA 0.360 56.604 56.048 0.326 0.000 1.593 188 H CB 0.933 30.869 29.762 0.290 0.000 1.916 188 H HN 0.174 nan 8.280 nan 0.000 0.503 189 G N 2.365 111.328 108.800 0.271 0.000 4.276 189 G HA2 0.029 3.992 3.960 0.005 0.000 0.178 189 G HA3 0.029 3.992 3.960 0.005 0.000 0.178 189 G C 0.302 175.303 174.900 0.167 0.000 0.785 189 G CA 0.154 45.428 45.100 0.289 0.000 0.853 189 G HN 0.723 nan 8.290 nan 0.000 0.428 190 A N 1.653 124.545 122.820 0.121 0.000 2.544 190 A HA 0.339 4.662 4.320 0.005 0.000 0.286 190 A C 0.667 178.398 177.584 0.245 0.000 1.274 190 A CA -0.012 52.123 52.037 0.164 0.000 0.943 190 A CB -1.304 17.742 19.000 0.077 0.000 1.032 190 A HN 0.688 nan 8.150 nan 0.000 0.560 191 W N 1.618 122.926 121.300 0.014 0.000 2.386 191 W HA -0.092 4.570 4.660 0.004 0.000 0.379 191 W C 0.813 177.344 176.519 0.020 0.000 0.780 191 W CA 0.409 57.777 57.345 0.037 0.000 0.800 191 W CB -0.840 28.642 29.460 0.036 0.000 0.967 191 W HN 0.569 nan 8.180 nan 0.000 0.598 192 R N 3.246 123.877 120.500 0.219 0.000 2.734 192 R HA 0.025 4.367 4.340 0.005 0.000 0.268 192 R C 0.445 176.800 176.300 0.093 0.000 1.785 192 R CA -0.631 55.523 56.100 0.090 0.000 1.461 192 R CB 0.963 31.229 30.300 -0.056 0.000 1.308 192 R HN 0.450 nan 8.270 nan 0.000 0.586 193 Q N 1.406 121.274 119.800 0.113 0.000 3.429 193 Q HA -0.168 4.175 4.340 0.005 0.000 0.338 193 Q C -0.304 175.704 176.000 0.015 0.000 1.171 193 Q CA 1.023 56.873 55.803 0.080 0.000 1.229 193 Q CB -0.509 28.269 28.738 0.068 0.000 1.175 193 Q HN 0.493 nan 8.270 nan 0.000 0.452 194 T N -0.582 113.954 114.554 -0.029 0.000 2.769 194 T HA 0.161 4.514 4.350 0.005 0.000 0.306 194 T C -1.466 173.021 174.700 -0.355 0.000 1.859 194 T CA -0.598 61.414 62.100 -0.147 0.000 1.001 194 T CB 1.089 69.905 68.868 -0.086 0.000 1.946 194 T HN 0.271 nan 8.240 nan 0.000 0.523 195 V N 1.538 121.094 119.914 -0.597 0.000 2.539 195 V HA 0.916 5.039 4.120 0.005 0.000 0.292 195 V C 0.750 176.237 176.094 -1.012 0.000 1.045 195 V CA 0.967 62.581 62.300 -1.144 0.000 0.945 195 V CB 1.244 32.166 31.823 -1.501 0.000 0.993 195 V HN 1.260 nan 8.190 nan 0.000 0.464 196 G N 2.591 110.674 108.800 -1.195 0.000 2.579 196 G HA2 0.312 4.275 3.960 0.005 0.000 0.292 196 G HA3 0.312 4.275 3.960 0.005 0.000 0.292 196 G C -1.742 173.007 174.900 -0.252 0.000 1.484 196 G CA -0.661 43.871 45.100 -0.947 0.000 0.813 196 G HN 0.669 nan 8.290 nan 0.000 0.515 197 H N -0.014 119.058 119.070 0.004 0.000 2.548 197 H HA 0.220 4.780 4.556 0.007 0.000 0.331 197 H C 1.338 176.851 175.328 0.309 0.000 1.093 197 H CA 0.451 56.695 56.048 0.327 0.000 1.367 197 H CB 1.334 31.279 29.762 0.305 0.000 1.455 197 H HN 0.823 nan 8.280 nan 0.000 0.519 198 H N 0.833 120.144 119.070 0.402 0.000 2.548 198 H HA 0.114 4.674 4.556 0.006 0.000 0.265 198 H C 0.199 175.830 175.328 0.506 0.000 0.969 198 H CA 0.494 56.807 56.048 0.442 0.000 1.155 198 H CB 0.486 30.437 29.762 0.315 0.000 1.394 198 H HN 0.287 nan 8.280 nan 0.000 0.570 199 S N -0.268 115.491 115.700 0.098 0.000 2.569 199 S HA 0.309 4.782 4.470 0.005 0.000 0.215 199 S C -3.016 171.565 174.600 -0.032 0.000 1.096 199 S CA -1.234 56.981 58.200 0.026 0.000 1.183 199 S CB 0.687 63.719 63.200 -0.280 0.000 1.324 199 S HN 0.161 nan 8.310 nan 0.000 0.421 200 P HA 0.211 nan 4.420 nan 0.000 0.275 200 P C 0.801 177.946 177.300 -0.259 0.000 1.228 200 P CA -0.568 62.395 63.100 -0.228 0.000 0.786 200 P CB 1.350 32.927 31.700 -0.205 0.000 0.927 201 L N 2.510 123.515 121.223 -0.362 0.000 2.095 201 L HA 0.209 4.552 4.340 0.005 0.000 0.204 201 L C 0.365 176.716 176.870 -0.865 0.000 1.080 201 L CA 1.737 56.177 54.840 -0.667 0.000 0.759 201 L CB -0.620 40.955 42.059 -0.807 0.000 0.914 201 L HN 0.204 nan 8.230 nan 0.000 0.439 202 F N -2.204 117.626 119.950 -0.200 0.000 2.575 202 F HA 0.584 5.115 4.527 0.006 0.000 0.330 202 F C 1.265 176.961 175.800 -0.174 0.000 1.056 202 F CA -0.440 57.461 58.000 -0.166 0.000 0.964 202 F CB 0.856 39.786 39.000 -0.117 0.000 1.258 202 F HN -0.165 nan 8.300 nan 0.000 0.484 203 A N 1.107 123.975 122.820 0.080 0.000 1.898 203 A HA 0.362 4.685 4.320 0.005 0.000 0.216 203 A C 1.177 178.710 177.584 -0.084 0.000 1.181 203 A CA 0.972 52.971 52.037 -0.063 0.000 0.620 203 A CB -1.331 17.626 19.000 -0.072 0.000 0.819 203 A HN 1.694 nan 8.150 nan 0.000 0.442 204 G N 0.185 108.962 108.800 -0.039 0.000 3.391 204 G HA2 -0.246 3.717 3.960 0.005 0.000 0.675 204 G HA3 -0.246 3.717 3.960 0.005 0.000 0.675 204 G C 0.187 175.036 174.900 -0.085 0.000 0.899 204 G CA 0.185 45.248 45.100 -0.062 0.000 0.755 204 G HN 1.048 nan 8.290 nan 0.000 0.475 205 N N 0.623 119.282 118.700 -0.069 0.000 2.503 205 N HA -0.131 4.611 4.740 0.005 0.000 0.189 205 N C 0.366 175.832 175.510 -0.073 0.000 1.048 205 N CA 0.853 53.861 53.050 -0.069 0.000 0.905 205 N CB 0.183 38.638 38.487 -0.054 0.000 0.951 205 N HN 0.587 nan 8.380 nan 0.000 0.446 206 E N 1.596 121.750 120.200 -0.077 0.000 2.331 206 E HA 0.035 4.387 4.350 0.005 0.000 0.272 206 E C -0.213 176.321 176.600 -0.111 0.000 1.036 206 E CA -0.151 56.202 56.400 -0.079 0.000 0.864 206 E CB 0.595 30.259 29.700 -0.060 0.000 1.035 206 E HN 0.113 nan 8.360 nan 0.000 0.408 207 D N 0.621 120.962 120.400 -0.098 0.000 2.706 207 D HA -0.220 4.423 4.640 0.005 0.000 0.230 207 D C -0.407 175.813 176.300 -0.132 0.000 1.184 207 D CA 1.054 54.988 54.000 -0.109 0.000 0.628 207 D CB -1.164 39.566 40.800 -0.116 0.000 1.019 207 D HN 0.449 nan 8.370 nan 0.000 0.415 208 A N -0.212 122.528 122.820 -0.134 0.000 2.401 208 A HA 0.537 4.860 4.320 0.005 0.000 0.259 208 A C 1.255 178.732 177.584 -0.179 0.000 1.103 208 A CA 0.671 52.609 52.037 -0.166 0.000 0.789 208 A CB 1.216 20.121 19.000 -0.158 0.000 1.035 208 A HN 0.258 nan 8.150 nan 0.000 0.491 209 S N 0.644 116.208 115.700 -0.227 0.000 2.067 209 S HA 0.157 4.630 4.470 0.005 0.000 0.249 209 S C 0.514 174.913 174.600 -0.335 0.000 0.916 209 S CA 0.750 58.807 58.200 -0.238 0.000 1.458 209 S CB -0.514 62.592 63.200 -0.156 0.000 1.037 209 S HN 0.922 nan 8.310 nan 0.000 0.483 213 F N 0.550 120.142 119.950 -0.597 0.000 2.754 213 F HA 0.376 4.905 4.527 0.004 0.000 0.297 213 F C 0.951 176.458 175.800 -0.489 0.000 1.122 213 F CA 0.058 57.567 58.000 -0.817 0.000 1.400 213 F CB 0.688 39.247 39.000 -0.735 0.000 1.117 213 F HN -0.204 nan 8.300 nan 0.000 0.587 214 S N 1.744 117.222 115.700 -0.369 0.000 3.697 214 S HA 0.224 4.696 4.470 0.005 0.000 0.207 214 S C -0.307 173.545 174.600 -1.247 0.000 1.459 214 S CA -0.488 57.258 58.200 -0.756 0.000 1.122 214 S CB -1.437 61.613 63.200 -0.251 0.000 1.311 214 S HN 0.552 nan 8.310 nan 0.000 0.487 215 N N -1.371 116.615 118.700 -1.190 0.000 2.484 215 N HA 0.595 5.337 4.740 0.005 0.000 0.269 215 N C 0.445 175.707 175.510 -0.413 0.000 1.237 215 N CA -0.726 51.876 53.050 -0.748 0.000 0.838 215 N CB 0.640 38.912 38.487 -0.359 0.000 1.593 215 N HN -0.077 nan 8.380 nan 0.000 0.485 216 A N 0.624 123.337 122.820 -0.179 0.000 1.917 216 A HA -0.265 4.058 4.320 0.005 0.000 0.219 216 A C 1.668 179.182 177.584 -0.117 0.000 1.182 216 A CA 2.321 54.331 52.037 -0.044 0.000 0.633 216 A CB -1.213 17.698 19.000 -0.148 0.000 0.819 216 A HN 0.940 nan 8.150 nan 0.000 0.448 217 D N -2.202 118.021 120.400 -0.295 0.000 2.123 217 D HA -0.237 4.406 4.640 0.005 0.000 0.196 217 D C 1.725 178.081 176.300 0.093 0.000 0.992 217 D CA 1.710 55.633 54.000 -0.129 0.000 0.833 217 D CB -0.258 40.502 40.800 -0.066 0.000 0.954 217 D HN 0.554 nan 8.370 nan 0.000 0.455 218 Y N 0.508 120.807 120.300 -0.001 0.000 2.163 218 Y HA -0.055 4.498 4.550 0.004 0.000 0.288 218 Y C 2.228 178.194 175.900 0.109 0.000 1.136 218 Y CA 1.780 59.913 58.100 0.055 0.000 1.147 218 Y CB -0.608 37.861 38.460 0.014 0.000 0.987 218 Y HN 0.055 nan 8.280 nan 0.000 0.509 219 A N -0.619 122.336 122.820 0.225 0.000 1.908 219 A HA -0.180 4.143 4.320 0.005 0.000 0.218 219 A C 2.292 179.955 177.584 0.131 0.000 1.181 219 A CA 2.140 54.315 52.037 0.229 0.000 0.627 219 A CB -1.335 17.857 19.000 0.320 0.000 0.818 219 A HN 0.348 nan 8.150 nan 0.000 0.445 220 V N -0.288 119.700 119.914 0.123 0.000 2.270 220 V HA -0.218 3.905 4.120 0.005 0.000 0.245 220 V C 2.773 178.903 176.094 0.061 0.000 1.043 220 V CA 2.303 64.675 62.300 0.120 0.000 1.014 220 V CB -0.991 30.967 31.823 0.225 0.000 0.645 220 V HN 0.558 nan 8.190 nan 0.000 0.447 221 S N -1.102 114.619 115.700 0.035 0.000 2.374 221 S HA -0.263 4.209 4.470 0.005 0.000 0.227 221 S C 1.878 176.448 174.600 -0.050 0.000 1.037 221 S CA 2.112 60.298 58.200 -0.024 0.000 1.024 221 S CB -0.488 62.672 63.200 -0.066 0.000 0.861 221 S HN 0.630 nan 8.310 nan 0.000 0.456 222 Y N 2.078 122.199 120.300 -0.298 0.000 2.089 222 Y HA -0.095 4.457 4.550 0.003 0.000 0.282 222 Y C 2.356 178.182 175.900 -0.124 0.000 1.139 222 Y CA 1.227 59.170 58.100 -0.261 0.000 1.123 222 Y CB -0.573 37.712 38.460 -0.291 0.000 0.980 222 Y HN 0.113 nan 8.280 nan 0.000 0.493 223 M N -0.303 119.261 119.600 -0.060 0.000 2.143 223 M HA -0.277 4.206 4.480 0.005 0.000 0.258 223 M C 2.283 178.509 176.300 -0.124 0.000 1.071 223 M CA 1.612 56.837 55.300 -0.125 0.000 1.088 223 M CB -1.462 31.111 32.600 -0.046 0.000 1.360 223 M HN 0.360 nan 8.290 nan 0.000 0.404 224 L N -0.953 120.225 121.223 -0.075 0.000 2.093 224 L HA -0.189 4.154 4.340 0.005 0.000 0.208 224 L C 2.753 179.572 176.870 -0.084 0.000 1.085 224 L CA 1.095 55.898 54.840 -0.061 0.000 0.755 224 L CB -0.662 41.378 42.059 -0.031 0.000 0.904 224 L HN 0.343 nan 8.230 nan 0.000 0.435 225 R N 0.951 121.388 120.500 -0.106 0.000 2.092 225 R HA -0.138 4.205 4.340 0.005 0.000 0.231 225 R C 2.127 178.333 176.300 -0.156 0.000 1.119 225 R CA 1.233 57.270 56.100 -0.105 0.000 0.970 225 R CB -0.221 30.034 30.300 -0.076 0.000 0.864 225 R HN 0.342 nan 8.270 nan 0.000 0.440 226 L N -0.306 120.762 121.223 -0.258 0.000 2.456 226 L HA 0.044 4.387 4.340 0.005 0.000 0.224 226 L C 1.293 178.070 176.870 -0.155 0.000 1.148 226 L CA 1.054 55.738 54.840 -0.260 0.000 0.825 226 L CB 0.049 41.877 42.059 -0.385 0.000 0.937 226 L HN 0.741 nan 8.230 nan 0.000 0.450 227 G N -1.008 107.720 108.800 -0.120 0.000 2.205 227 G HA2 -0.156 3.807 3.960 0.005 0.000 0.180 227 G HA3 -0.156 3.807 3.960 0.005 0.000 0.180 227 G C 0.294 175.153 174.900 -0.069 0.000 1.004 227 G CA -0.205 44.846 45.100 -0.083 0.000 0.670 227 G HN 0.395 nan 8.290 nan 0.000 0.496 228 A N 1.059 123.836 122.820 -0.072 0.000 2.409 228 A HA 0.695 5.018 4.320 0.005 0.000 0.262 228 A C -1.905 175.661 177.584 -0.031 0.000 1.113 228 A CA -0.816 51.192 52.037 -0.048 0.000 0.790 228 A CB 0.227 19.198 19.000 -0.048 0.000 1.046 228 A HN 0.129 nan 8.150 nan 0.000 0.496 229 P HA 0.298 nan 4.420 nan 0.000 0.275 229 P C 0.800 178.103 177.300 0.005 0.000 1.227 229 P CA 0.183 63.277 63.100 -0.009 0.000 0.781 229 P CB 1.324 33.020 31.700 -0.006 0.000 0.906 230 A N 3.800 126.622 122.820 0.003 0.000 1.940 230 A HA -0.228 4.095 4.320 0.005 0.000 0.219 230 A C 1.518 179.118 177.584 0.027 0.000 1.176 230 A CA 1.989 54.034 52.037 0.013 0.000 0.631 230 A CB -1.362 17.641 19.000 0.005 0.000 0.814 230 A HN 0.710 nan 8.150 nan 0.000 0.446 231 N N -0.954 117.757 118.700 0.019 0.000 2.575 231 N HA -0.031 4.712 4.740 0.005 0.000 0.192 231 N C 0.755 176.292 175.510 0.045 0.000 1.200 231 N CA 1.080 54.143 53.050 0.023 0.000 0.897 231 N CB -0.129 38.362 38.487 0.006 0.000 0.990 231 N HN 0.552 nan 8.380 nan 0.000 0.449 232 K N -0.668 119.768 120.400 0.059 0.000 2.477 232 K HA 0.299 4.622 4.320 0.005 0.000 0.208 232 K C -0.322 176.352 176.600 0.123 0.000 1.117 232 K CA -0.224 56.124 56.287 0.102 0.000 1.039 232 K CB 0.791 33.341 32.500 0.083 0.000 0.937 232 K HN 0.123 nan 8.250 nan 0.000 0.570 233 L N 1.955 123.230 121.223 0.086 0.000 2.312 233 L HA 0.331 4.674 4.340 0.005 0.000 0.281 233 L C -0.718 176.212 176.870 0.100 0.000 1.070 233 L CA -0.631 54.263 54.840 0.091 0.000 0.805 233 L CB 1.639 43.735 42.059 0.061 0.000 1.174 233 L HN -0.226 nan 8.230 nan 0.000 0.434 234 V N 5.145 125.133 119.914 0.123 0.000 2.525 234 V HA 0.297 4.420 4.120 0.005 0.000 0.299 234 V C -0.011 176.162 176.094 0.131 0.000 1.034 234 V CA -0.464 61.903 62.300 0.112 0.000 0.863 234 V CB 1.904 33.792 31.823 0.110 0.000 0.999 234 V HN 0.747 nan 8.190 nan 0.000 0.423 235 M N 3.902 123.576 119.600 0.124 0.000 2.162 235 M HA 0.533 5.016 4.480 0.005 0.000 0.356 235 M C 0.709 177.111 176.300 0.169 0.000 1.303 235 M CA -0.057 55.326 55.300 0.137 0.000 1.116 235 M CB 0.726 33.411 32.600 0.142 0.000 1.632 235 M HN 0.803 nan 8.290 nan 0.000 0.469 236 G N 6.144 115.061 108.800 0.194 0.000 2.380 236 G HA2 0.494 4.457 3.960 0.005 0.000 0.262 236 G HA3 0.494 4.457 3.960 0.005 0.000 0.262 236 G C -0.734 174.381 174.900 0.357 0.000 1.243 236 G CA -0.560 44.739 45.100 0.332 0.000 0.865 236 G HN 0.798 nan 8.290 nan 0.000 0.513 237 I N 4.644 125.411 120.570 0.330 0.000 2.410 237 I HA 0.278 4.451 4.170 0.005 0.000 0.286 237 I C -2.120 174.063 176.117 0.110 0.000 1.009 237 I CA -2.253 59.160 61.300 0.187 0.000 1.111 237 I CB 3.069 41.134 38.000 0.107 0.000 1.262 237 I HN 0.340 nan 8.210 nan 0.000 0.443 238 P HA 0.173 nan 4.420 nan 0.000 0.282 238 P C -0.027 177.201 177.300 -0.120 0.000 1.249 238 P CA -0.171 62.772 63.100 -0.262 0.000 0.806 238 P CB 1.876 33.195 31.700 -0.634 0.000 0.984 239 T N 1.394 115.961 114.554 0.022 0.000 3.044 239 T HA 0.274 4.627 4.350 0.005 0.000 0.260 239 T C 0.175 174.997 174.700 0.204 0.000 1.019 239 T CA 0.002 62.161 62.100 0.098 0.000 0.921 239 T CB -0.490 68.467 68.868 0.148 0.000 1.053 239 T HN 0.440 nan 8.240 nan 0.000 0.533 240 F N -0.662 119.349 119.950 0.102 0.000 2.639 240 F HA 0.903 5.433 4.527 0.006 0.000 0.339 240 F C 0.142 176.005 175.800 0.104 0.000 1.071 240 F CA -1.713 56.331 58.000 0.073 0.000 0.994 240 F CB 0.635 39.657 39.000 0.037 0.000 1.341 240 F HN -0.124 nan 8.300 nan 0.000 0.498 241 G N 0.068 108.939 108.800 0.120 0.000 2.569 241 G HA2 0.663 4.626 3.960 0.005 0.000 0.300 241 G HA3 0.663 4.626 3.960 0.005 0.000 0.300 241 G C -1.695 173.155 174.900 -0.084 0.000 1.269 241 G CA -1.416 43.667 45.100 -0.027 0.000 0.959 241 G HN 0.682 nan 8.290 nan 0.000 0.478 242 R N 0.246 120.592 120.500 -0.256 0.000 2.445 242 R HA 0.564 4.907 4.340 0.005 0.000 0.308 242 R C -0.298 175.906 176.300 -0.161 0.000 0.961 242 R CA -0.545 55.412 56.100 -0.239 0.000 0.862 242 R CB 1.936 32.044 30.300 -0.321 0.000 1.144 242 R HN 0.663 nan 8.270 nan 0.000 0.447 243 S N 1.973 117.507 115.700 -0.277 0.000 2.638 243 S HA 0.745 5.218 4.470 0.005 0.000 0.298 243 S C -0.591 173.796 174.600 -0.354 0.000 1.111 243 S CA -0.670 57.440 58.200 -0.150 0.000 1.027 243 S CB 1.122 64.233 63.200 -0.150 0.000 1.064 243 S HN 0.375 nan 8.310 nan 0.000 0.525 244 F N -0.496 119.561 119.950 0.178 0.000 2.599 244 F HA 0.523 5.053 4.527 0.004 0.000 0.311 244 F C 0.174 176.054 175.800 0.133 0.000 1.076 244 F CA -0.743 57.336 58.000 0.132 0.000 0.937 244 F CB 2.327 41.407 39.000 0.134 0.000 1.282 244 F HN 0.504 nan 8.300 nan 0.000 0.460 245 T N 3.588 118.300 114.554 0.264 0.000 2.756 245 T HA 0.500 4.853 4.350 0.005 0.000 0.290 245 T C -0.040 174.762 174.700 0.169 0.000 0.985 245 T CA -0.521 61.690 62.100 0.184 0.000 0.955 245 T CB 0.238 69.168 68.868 0.103 0.000 0.930 245 T HN 0.291 nan 8.240 nan 0.000 0.451 246 L N 2.179 123.502 121.223 0.166 0.000 2.483 246 L HA 0.293 4.636 4.340 0.005 0.000 0.276 246 L C 1.425 178.336 176.870 0.069 0.000 1.213 246 L CA -0.356 54.542 54.840 0.098 0.000 0.843 246 L CB 0.359 42.487 42.059 0.115 0.000 1.107 246 L HN 0.743 nan 8.230 nan 0.000 0.487 247 A N 1.447 124.287 122.820 0.035 0.000 2.348 247 A HA 0.265 4.588 4.320 0.005 0.000 0.224 247 A C 0.638 178.238 177.584 0.026 0.000 1.227 247 A CA 0.608 52.664 52.037 0.031 0.000 0.885 247 A CB 0.054 19.066 19.000 0.020 0.000 0.933 247 A HN 0.740 nan 8.150 nan 0.000 0.506 248 S N -1.832 113.884 115.700 0.026 0.000 2.672 248 S HA 0.357 4.829 4.470 0.005 0.000 0.271 248 S C 0.543 175.168 174.600 0.041 0.000 1.171 248 S CA 0.435 58.651 58.200 0.026 0.000 0.817 248 S CB 0.600 63.807 63.200 0.011 0.000 1.150 248 S HN 0.729 nan 8.310 nan 0.000 0.478 249 S N -0.349 115.376 115.700 0.042 0.000 2.660 249 S HA 0.159 4.631 4.470 0.005 0.000 0.223 249 S C 0.450 175.087 174.600 0.062 0.000 0.963 249 S CA -0.027 58.207 58.200 0.058 0.000 0.932 249 S CB -0.626 62.604 63.200 0.051 0.000 0.775 249 S HN 0.699 nan 8.310 nan 0.000 0.531 250 K N 1.125 121.549 120.400 0.039 0.000 2.276 250 K HA 0.267 4.590 4.320 0.005 0.000 0.283 250 K C -0.016 176.610 176.600 0.042 0.000 1.044 250 K CA 0.052 56.356 56.287 0.030 0.000 0.944 250 K CB 0.606 33.103 32.500 -0.005 0.000 1.012 250 K HN 0.153 nan 8.250 nan 0.000 0.472 251 T N 1.402 116.006 114.554 0.083 0.000 2.985 251 T HA 0.008 4.361 4.350 0.005 0.000 0.254 251 T C -0.336 174.448 174.700 0.140 0.000 1.021 251 T CA -0.187 62.020 62.100 0.177 0.000 0.957 251 T CB -0.058 68.990 68.868 0.300 0.000 1.047 251 T HN 0.747 nan 8.240 nan 0.000 0.511 252 D N 1.405 121.833 120.400 0.045 0.000 2.414 252 D HA 0.355 4.997 4.640 0.005 0.000 0.251 252 D C 0.092 176.357 176.300 -0.059 0.000 1.252 252 D CA -0.797 53.226 54.000 0.037 0.000 0.999 252 D CB 0.228 41.048 40.800 0.033 0.000 1.093 252 D HN -0.084 nan 8.370 nan 0.000 0.515 253 V N -0.122 119.789 119.914 -0.005 0.000 2.901 253 V HA 0.289 4.412 4.120 0.005 0.000 0.307 253 V C 1.829 177.830 176.094 -0.155 0.000 1.084 253 V CA 0.954 63.196 62.300 -0.097 0.000 1.184 253 V CB -0.030 31.762 31.823 -0.052 0.000 0.941 253 V HN 1.020 nan 8.190 nan 0.000 0.493 254 G N 2.382 111.046 108.800 -0.226 0.000 2.184 254 G HA2 -0.144 3.819 3.960 0.005 0.000 0.264 254 G HA3 -0.144 3.819 3.960 0.005 0.000 0.264 254 G C 0.486 175.275 174.900 -0.185 0.000 0.975 254 G CA 0.296 45.287 45.100 -0.182 0.000 0.642 254 G HN 1.768 nan 8.290 nan 0.000 0.536 255 A N 1.763 124.442 122.820 -0.234 0.000 2.540 255 A HA 0.560 4.883 4.320 0.005 0.000 0.239 255 A C -0.748 176.707 177.584 -0.214 0.000 1.061 255 A CA 0.030 51.945 52.037 -0.203 0.000 0.758 255 A CB 0.210 19.074 19.000 -0.226 0.000 0.991 255 A HN 0.371 nan 8.150 nan 0.000 0.502 256 P HA 0.281 nan 4.420 nan 0.000 0.272 256 P C -0.728 176.515 177.300 -0.096 0.000 1.230 256 P CA -0.048 62.994 63.100 -0.097 0.000 0.788 256 P CB 0.941 32.612 31.700 -0.048 0.000 0.949 257 V N 1.447 121.330 119.914 -0.052 0.000 2.709 257 V HA 0.150 4.273 4.120 0.005 0.000 0.308 257 V C 1.537 177.667 176.094 0.061 0.000 1.062 257 V CA -0.007 62.298 62.300 0.008 0.000 0.901 257 V CB 1.657 33.497 31.823 0.028 0.000 1.003 257 V HN 0.746 nan 8.190 nan 0.000 0.425 258 S N 3.322 119.066 115.700 0.074 0.000 2.446 258 S HA 0.366 4.839 4.470 0.005 0.000 0.225 258 S C 0.666 175.311 174.600 0.074 0.000 1.016 258 S CA 1.038 59.279 58.200 0.069 0.000 0.943 258 S CB 0.094 63.329 63.200 0.058 0.000 0.786 258 S HN 1.621 nan 8.310 nan 0.000 0.508 259 G N 0.534 109.384 108.800 0.084 0.000 2.323 259 G HA2 0.352 4.315 3.960 0.005 0.000 0.291 259 G HA3 0.352 4.315 3.960 0.005 0.000 0.291 259 G C -3.403 171.487 174.900 -0.018 0.000 1.278 259 G CA -0.495 44.616 45.100 0.019 0.000 0.860 259 G HN 0.160 nan 8.290 nan 0.000 0.504 260 P HA 0.388 nan 4.420 nan 0.000 0.274 260 P C 0.709 177.920 177.300 -0.149 0.000 1.260 260 P CA 0.504 63.439 63.100 -0.275 0.000 0.793 260 P CB 0.559 32.010 31.700 -0.417 0.000 1.048 261 G N -0.406 108.294 108.800 -0.167 0.000 2.599 261 G HA2 0.313 4.276 3.960 0.005 0.000 0.264 261 G HA3 0.313 4.276 3.960 0.005 0.000 0.264 261 G C -0.351 174.512 174.900 -0.062 0.000 1.200 261 G CA -0.590 44.471 45.100 -0.065 0.000 0.896 261 G HN 0.365 nan 8.290 nan 0.000 0.536 262 V N 2.441 122.349 119.914 -0.010 0.000 2.655 262 V HA 0.098 4.221 4.120 0.005 0.000 0.300 262 V C -1.385 174.698 176.094 -0.018 0.000 1.044 262 V CA -0.723 61.576 62.300 -0.002 0.000 1.095 262 V CB 1.065 32.911 31.823 0.038 0.000 0.952 262 V HN 0.583 nan 8.190 nan 0.000 0.485 263 P HA 0.117 nan 4.420 nan 0.000 0.269 263 P C 0.146 177.443 177.300 -0.005 0.000 1.211 263 P CA 0.193 63.281 63.100 -0.020 0.000 0.781 263 P CB 0.345 32.038 31.700 -0.011 0.000 0.877 264 G N 0.406 109.206 108.800 0.001 0.000 2.476 264 G HA2 0.159 4.122 3.960 0.005 0.000 0.286 264 G HA3 0.159 4.122 3.960 0.005 0.000 0.286 264 G C 0.751 175.661 174.900 0.018 0.000 1.177 264 G CA -0.508 44.606 45.100 0.024 0.000 0.870 264 G HN 0.443 nan 8.290 nan 0.000 0.528 265 R N 0.474 120.959 120.500 -0.025 0.000 2.120 265 R HA -0.035 4.308 4.340 0.005 0.000 0.234 265 R C 1.441 177.555 176.300 -0.310 0.000 1.123 265 R CA 1.693 57.655 56.100 -0.230 0.000 0.975 265 R CB -0.153 29.888 30.300 -0.432 0.000 0.866 265 R HN 0.602 nan 8.270 nan 0.000 0.446 266 F N -1.718 118.309 119.950 0.129 0.000 2.500 266 F HA 0.087 4.617 4.527 0.005 0.000 0.285 266 F C 2.422 178.312 175.800 0.150 0.000 1.088 266 F CA 0.833 58.937 58.000 0.173 0.000 1.432 266 F CB -0.191 38.982 39.000 0.289 0.000 1.131 266 F HN 0.031 nan 8.300 nan 0.000 0.582 267 T N -2.444 112.277 114.554 0.279 0.000 3.043 267 T HA 0.009 4.362 4.350 0.005 0.000 0.263 267 T C 0.807 175.586 174.700 0.132 0.000 1.094 267 T CA 0.002 62.214 62.100 0.187 0.000 1.127 267 T CB -0.525 68.402 68.868 0.099 0.000 0.905 267 T HN 0.116 nan 8.240 nan 0.000 0.490 268 K N 1.626 122.081 120.400 0.092 0.000 3.540 268 K HA -0.191 4.132 4.320 0.005 0.000 0.274 268 K C -0.334 176.289 176.600 0.039 0.000 0.890 268 K CA 0.629 56.950 56.287 0.056 0.000 0.701 268 K CB -1.285 31.256 32.500 0.068 0.000 1.523 268 K HN 0.723 nan 8.250 nan 0.000 0.450 269 E N 1.302 121.510 120.200 0.013 0.000 2.313 269 E HA 0.126 4.478 4.350 0.005 0.000 0.280 269 E C -1.056 175.511 176.600 -0.055 0.000 0.898 269 E CA -0.799 55.593 56.400 -0.013 0.000 0.803 269 E CB 1.074 30.772 29.700 -0.004 0.000 1.286 269 E HN 0.115 nan 8.360 nan 0.000 0.401 270 K N 1.513 121.866 120.400 -0.078 0.000 2.524 270 K HA 0.206 4.529 4.320 0.005 0.000 0.279 270 K C 0.928 177.421 176.600 -0.180 0.000 0.993 270 K CA 1.133 57.344 56.287 -0.127 0.000 1.030 270 K CB 0.481 32.886 32.500 -0.158 0.000 0.891 270 K HN 0.848 nan 8.250 nan 0.000 0.488 271 G N 1.616 110.290 108.800 -0.209 0.000 2.284 271 G HA2 -0.262 3.700 3.960 0.005 0.000 0.230 271 G HA3 -0.262 3.700 3.960 0.005 0.000 0.230 271 G C -0.029 174.741 174.900 -0.218 0.000 1.021 271 G CA 0.270 45.205 45.100 -0.276 0.000 0.619 271 G HN 0.679 nan 8.290 nan 0.000 0.510 272 I N -1.457 119.027 120.570 -0.142 0.000 2.934 272 I HA 0.895 5.068 4.170 0.005 0.000 0.306 272 I C -0.567 175.508 176.117 -0.069 0.000 1.110 272 I CA -1.711 59.541 61.300 -0.080 0.000 1.019 272 I CB 1.997 39.952 38.000 -0.075 0.000 1.227 272 I HN 0.074 nan 8.210 nan 0.000 0.434 273 L N 3.461 124.661 121.223 -0.039 0.000 2.422 273 L HA 0.863 5.206 4.340 0.005 0.000 0.264 273 L C -0.026 176.801 176.870 -0.070 0.000 0.984 273 L CA -1.090 53.691 54.840 -0.098 0.000 0.819 273 L CB 2.011 43.959 42.059 -0.184 0.000 1.330 273 L HN 0.986 nan 8.230 nan 0.000 0.410 274 A N 0.690 123.367 122.820 -0.239 0.000 2.304 274 A HA 0.200 4.523 4.320 0.005 0.000 0.271 274 A C 0.342 177.758 177.584 -0.281 0.000 1.091 274 A CA 0.011 51.851 52.037 -0.327 0.000 0.812 274 A CB 0.183 18.629 19.000 -0.924 0.000 1.056 274 A HN 0.755 nan 8.150 nan 0.000 0.489 275 Y N 1.202 121.379 120.300 -0.204 0.000 2.207 275 Y HA -0.327 4.226 4.550 0.006 0.000 0.287 275 Y C 2.028 177.838 175.900 -0.150 0.000 1.156 275 Y CA 2.799 60.837 58.100 -0.103 0.000 1.182 275 Y CB -0.714 37.762 38.460 0.027 0.000 0.979 275 Y HN 0.817 nan 8.280 nan 0.000 0.521 276 Y N -1.058 119.089 120.300 -0.256 0.000 2.293 276 Y HA -0.035 4.518 4.550 0.004 0.000 0.291 276 Y C 1.905 177.534 175.900 -0.452 0.000 1.137 276 Y CA 1.221 59.012 58.100 -0.515 0.000 1.202 276 Y CB -1.186 36.745 38.460 -0.882 0.000 0.990 276 Y HN 0.152 nan 8.280 nan 0.000 0.537 277 E N 0.835 120.728 120.200 -0.511 0.000 2.107 277 E HA -0.069 4.284 4.350 0.005 0.000 0.191 277 E C 2.111 178.639 176.600 -0.120 0.000 0.982 277 E CA 1.188 57.483 56.400 -0.174 0.000 0.809 277 E CB -0.182 29.409 29.700 -0.182 0.000 0.756 277 E HN 0.542 nan 8.360 nan 0.000 0.459 278 I N 0.773 121.181 120.570 -0.269 0.000 2.286 278 I HA -0.332 3.841 4.170 0.005 0.000 0.248 278 I C 2.335 178.290 176.117 -0.270 0.000 1.115 278 I CA 0.642 61.755 61.300 -0.312 0.000 1.392 278 I CB -0.233 37.502 38.000 -0.442 0.000 1.065 278 I HN 0.263 nan 8.210 nan 0.000 0.418 279 c N 0.392 118.771 118.600 -0.369 0.000 2.413 279 c HA -0.219 4.354 4.570 0.005 0.000 0.276 279 c C 2.602 176.634 174.090 -0.096 0.000 1.236 279 c CA 1.362 57.519 56.329 -0.288 0.000 1.735 279 c CB -0.968 41.383 42.510 -0.265 0.000 2.031 279 c HN 0.557 nan 8.230 nan 0.000 0.474 280 D N -0.244 120.207 120.400 0.084 0.000 2.097 280 D HA -0.165 4.478 4.640 0.005 0.000 0.195 280 D C 1.852 178.252 176.300 0.166 0.000 0.989 280 D CA 1.083 55.227 54.000 0.240 0.000 0.827 280 D CB -0.468 40.519 40.800 0.312 0.000 0.966 280 D HN 0.485 nan 8.370 nan 0.000 0.456 281 F N 0.227 120.149 119.950 -0.046 0.000 2.236 281 F HA -0.175 4.355 4.527 0.004 0.000 0.302 281 F C 1.763 177.482 175.800 -0.136 0.000 1.073 281 F CA 0.770 58.721 58.000 -0.081 0.000 1.336 281 F CB 0.003 38.925 39.000 -0.130 0.000 1.040 281 F HN 0.008 nan 8.300 nan 0.000 0.507 282 L N 0.112 121.271 121.223 -0.106 0.000 2.201 282 L HA -0.146 4.196 4.340 0.005 0.000 0.212 282 L C 0.812 177.497 176.870 -0.307 0.000 1.105 282 L CA 0.975 55.676 54.840 -0.231 0.000 0.775 282 L CB -1.488 40.413 42.059 -0.265 0.000 0.913 282 L HN 0.063 nan 8.230 nan 0.000 0.440 283 H N 0.431 119.424 119.070 -0.128 0.000 3.091 283 H HA 0.270 4.830 4.556 0.005 0.000 0.289 283 H C 1.384 176.614 175.328 -0.164 0.000 0.995 283 H CA 0.821 56.801 56.048 -0.114 0.000 1.461 283 H CB -0.046 29.670 29.762 -0.076 0.000 1.510 283 H HN 0.315 nan 8.280 nan 0.000 0.546 284 G N 2.127 110.901 108.800 -0.043 0.000 2.132 284 G HA2 -0.162 3.801 3.960 0.005 0.000 0.234 284 G HA3 -0.162 3.801 3.960 0.005 0.000 0.234 284 G C 0.286 175.094 174.900 -0.153 0.000 0.989 284 G CA 0.078 45.127 45.100 -0.086 0.000 0.676 284 G HN 0.912 nan 8.290 nan 0.000 0.522 285 A N -0.707 122.001 122.820 -0.188 0.000 2.322 285 A HA 0.924 5.247 4.320 0.005 0.000 0.327 285 A C 0.222 177.724 177.584 -0.137 0.000 1.134 285 A CA 0.278 52.197 52.037 -0.197 0.000 0.831 285 A CB 1.234 20.062 19.000 -0.287 0.000 1.288 285 A HN 0.746 nan 8.150 nan 0.000 0.472 286 T N 1.981 116.462 114.554 -0.121 0.000 2.749 286 T HA 0.531 4.884 4.350 0.005 0.000 0.287 286 T C 0.133 174.617 174.700 -0.360 0.000 0.970 286 T CA -0.109 61.858 62.100 -0.222 0.000 0.980 286 T CB 0.652 69.419 68.868 -0.168 0.000 0.924 286 T HN 0.831 nan 8.240 nan 0.000 0.456 287 T N 1.542 115.847 114.554 -0.416 0.000 2.795 287 T HA 0.532 4.885 4.350 0.005 0.000 0.282 287 T C -0.549 173.742 174.700 -0.683 0.000 0.980 287 T CA -0.898 60.963 62.100 -0.400 0.000 1.012 287 T CB 0.839 69.607 68.868 -0.167 0.000 0.936 287 T HN 0.550 nan 8.240 nan 0.000 0.457 288 H N 1.649 120.373 119.070 -0.577 0.000 2.771 288 H HA 0.690 5.248 4.556 0.004 0.000 0.367 288 H C -0.436 174.457 175.328 -0.725 0.000 1.172 288 H CA -0.986 54.608 56.048 -0.756 0.000 1.186 288 H CB 2.264 31.229 29.762 -1.329 0.000 1.790 288 H HN 0.643 nan 8.280 nan 0.000 0.556 289 R N 1.516 121.813 120.500 -0.338 0.000 2.512 289 R HA 0.215 4.557 4.340 0.005 0.000 0.291 289 R C -1.441 174.824 176.300 -0.058 0.000 1.097 289 R CA -0.621 55.351 56.100 -0.214 0.000 0.940 289 R CB 0.803 31.036 30.300 -0.112 0.000 1.198 289 R HN 0.231 nan 8.270 nan 0.000 0.429 290 F N 4.619 124.669 119.950 0.167 0.000 2.533 290 F HA 0.188 4.717 4.527 0.003 0.000 0.378 290 F C 1.739 177.575 175.800 0.060 0.000 1.070 290 F CA -0.054 58.028 58.000 0.138 0.000 1.172 290 F CB 0.711 39.784 39.000 0.122 0.000 1.085 290 F HN 0.460 nan 8.300 nan 0.000 0.552 291 R N 1.312 121.947 120.500 0.225 0.000 2.062 291 R HA -0.133 4.210 4.340 0.005 0.000 0.231 291 R C 1.340 177.712 176.300 0.120 0.000 1.136 291 R CA 1.520 57.697 56.100 0.128 0.000 0.948 291 R CB -0.287 30.063 30.300 0.085 0.000 0.845 291 R HN 0.513 nan 8.270 nan 0.000 0.430 292 D N 1.196 121.663 120.400 0.112 0.000 2.103 292 D HA -0.175 4.468 4.640 0.005 0.000 0.190 292 D C 2.050 178.421 176.300 0.118 0.000 0.997 292 D CA 1.510 55.548 54.000 0.063 0.000 0.833 292 D CB -0.233 40.578 40.800 0.018 0.000 0.961 292 D HN 0.333 nan 8.370 nan 0.000 0.447 293 Q N -0.313 119.545 119.800 0.098 0.000 2.311 293 Q HA 0.022 4.365 4.340 0.005 0.000 0.203 293 Q C 0.064 176.104 176.000 0.067 0.000 0.954 293 Q CA 0.230 56.063 55.803 0.051 0.000 0.885 293 Q CB 0.141 28.816 28.738 -0.106 0.000 0.963 293 Q HN 0.325 nan 8.270 nan 0.000 0.471 294 Q N -0.504 119.370 119.800 0.124 0.000 2.478 294 Q HA -0.138 4.205 4.340 0.005 0.000 0.286 294 Q C -0.968 175.016 176.000 -0.026 0.000 1.299 294 Q CA 0.600 56.449 55.803 0.076 0.000 0.826 294 Q CB -2.235 26.575 28.738 0.121 0.000 1.199 294 Q HN 0.319 nan 8.270 nan 0.000 0.451 295 V N -3.832 116.064 119.914 -0.029 0.000 3.007 295 V HA 0.882 5.005 4.120 0.005 0.000 0.311 295 V C -2.586 173.474 176.094 -0.057 0.000 1.120 295 V CA -2.193 60.002 62.300 -0.176 0.000 0.980 295 V CB 2.446 33.877 31.823 -0.654 0.000 1.033 295 V HN -0.041 nan 8.190 nan 0.000 0.429 296 P HA 0.637 nan 4.420 nan 0.000 0.285 296 P C -1.942 175.259 177.300 -0.164 0.000 1.285 296 P CA -0.379 62.560 63.100 -0.269 0.000 0.854 296 P CB 1.798 33.209 31.700 -0.482 0.000 1.180 297 Y N -2.512 117.633 120.300 -0.259 0.000 2.638 297 Y HA 0.831 5.384 4.550 0.004 0.000 0.335 297 Y C -1.909 173.942 175.900 -0.081 0.000 1.155 297 Y CA -1.524 56.426 58.100 -0.250 0.000 1.046 297 Y CB 0.688 38.753 38.460 -0.657 0.000 1.303 297 Y HN 0.650 nan 8.280 nan 0.000 0.460 298 A N 0.942 123.751 122.820 -0.018 0.000 2.539 298 A HA 0.904 5.227 4.320 0.005 0.000 0.296 298 A C -1.213 176.436 177.584 0.108 0.000 1.073 298 A CA -0.566 51.493 52.037 0.037 0.000 0.700 298 A CB 1.566 20.670 19.000 0.173 0.000 1.296 298 A HN 1.008 nan 8.150 nan 0.000 0.405 299 T N 0.388 115.061 114.554 0.199 0.000 2.906 299 T HA 0.782 5.135 4.350 0.005 0.000 0.295 299 T C -0.787 174.019 174.700 0.177 0.000 1.061 299 T CA -0.834 61.440 62.100 0.291 0.000 1.000 299 T CB 1.905 70.988 68.868 0.358 0.000 1.103 299 T HN 0.692 nan 8.240 nan 0.000 0.486 300 K N 0.771 121.280 120.400 0.182 0.000 2.571 300 K HA 0.488 4.810 4.320 0.005 0.000 0.252 300 K C 0.723 177.375 176.600 0.087 0.000 0.956 300 K CA 0.125 56.408 56.287 -0.006 0.000 0.822 300 K CB 1.447 33.742 32.500 -0.341 0.000 1.286 300 K HN 1.017 nan 8.250 nan 0.000 0.439 301 G N 3.813 112.650 108.800 0.062 0.000 2.672 301 G HA2 -0.418 3.545 3.960 0.005 0.000 0.324 301 G HA3 -0.418 3.545 3.960 0.005 0.000 0.324 301 G C 0.245 175.224 174.900 0.133 0.000 1.286 301 G CA 0.930 46.079 45.100 0.082 0.000 1.004 301 G HN 0.845 nan 8.290 nan 0.000 0.548 302 N N 0.932 119.717 118.700 0.142 0.000 2.251 302 N HA 0.159 4.902 4.740 0.005 0.000 0.217 302 N C 0.237 175.883 175.510 0.226 0.000 1.124 302 N CA 0.438 53.587 53.050 0.165 0.000 0.843 302 N CB 0.445 39.005 38.487 0.121 0.000 1.024 302 N HN 0.566 nan 8.380 nan 0.000 0.501 303 Q N 0.281 120.249 119.800 0.280 0.000 2.256 303 Q HA 0.255 4.597 4.340 0.005 0.000 0.257 303 Q C -1.427 174.851 176.000 0.464 0.000 0.936 303 Q CA -0.236 55.777 55.803 0.350 0.000 0.903 303 Q CB 1.785 30.753 28.738 0.383 0.000 1.263 303 Q HN 0.452 nan 8.270 nan 0.000 0.440 304 W N 3.324 124.771 121.300 0.245 0.000 2.554 304 W HA 0.524 5.186 4.660 0.004 0.000 0.324 304 W C -1.451 175.214 176.519 0.244 0.000 1.018 304 W CA -0.552 56.955 57.345 0.271 0.000 1.243 304 W CB 1.117 30.710 29.460 0.222 0.000 1.345 304 W HN 0.275 nan 8.180 nan 0.000 0.441 305 V N 5.729 125.531 119.914 -0.187 0.000 2.448 305 V HA 0.731 4.853 4.120 0.005 0.000 0.295 305 V C 0.072 175.977 176.094 -0.316 0.000 1.025 305 V CA -0.974 61.191 62.300 -0.224 0.000 0.859 305 V CB 1.210 32.743 31.823 -0.483 0.000 0.988 305 V HN 0.656 nan 8.190 nan 0.000 0.431 306 A N 5.668 128.423 122.820 -0.108 0.000 2.249 306 A HA 0.854 5.176 4.320 0.005 0.000 0.314 306 A C -0.799 176.796 177.584 0.018 0.000 1.290 306 A CA -0.337 51.596 52.037 -0.173 0.000 0.893 306 A CB 0.227 19.202 19.000 -0.042 0.000 1.165 306 A HN 1.090 nan 8.150 nan 0.000 0.530 307 Y N -0.391 119.888 120.300 -0.034 0.000 2.818 307 Y HA 0.815 5.369 4.550 0.007 0.000 0.322 307 Y C -1.279 174.774 175.900 0.254 0.000 1.323 307 Y CA -1.933 56.239 58.100 0.119 0.000 1.090 307 Y CB 0.556 39.055 38.460 0.065 0.000 1.328 307 Y HN 0.437 nan 8.280 nan 0.000 0.482 308 D N 0.639 121.135 120.400 0.161 0.000 2.498 308 D HA 0.412 5.055 4.640 0.005 0.000 0.247 308 D C -1.454 174.885 176.300 0.066 0.000 1.070 308 D CA -0.388 53.608 54.000 -0.006 0.000 0.842 308 D CB 1.678 42.469 40.800 -0.016 0.000 1.361 308 D HN 0.648 nan 8.370 nan 0.000 0.484 309 D N -0.017 120.374 120.400 -0.015 0.000 2.654 309 D HA 0.163 4.806 4.640 0.005 0.000 0.255 309 D C 0.775 177.055 176.300 -0.032 0.000 1.101 309 D CA -0.587 53.455 54.000 0.070 0.000 1.116 309 D CB 0.553 41.487 40.800 0.222 0.000 1.348 309 D HN 0.213 nan 8.370 nan 0.000 0.609 310 Q N -0.704 119.096 119.800 -0.000 0.000 2.133 310 Q HA -0.268 4.075 4.340 0.005 0.000 0.208 310 Q C 1.596 177.592 176.000 -0.006 0.000 0.991 310 Q CA 2.243 58.040 55.803 -0.009 0.000 0.867 310 Q CB -0.126 28.633 28.738 0.036 0.000 0.911 310 Q HN 0.687 nan 8.270 nan 0.000 0.417 311 E N 0.422 120.625 120.200 0.005 0.000 2.072 311 E HA -0.167 4.186 4.350 0.005 0.000 0.191 311 E C 1.970 178.559 176.600 -0.019 0.000 0.985 311 E CA 1.653 58.052 56.400 -0.001 0.000 0.801 311 E CB -0.073 29.629 29.700 0.003 0.000 0.750 311 E HN 0.317 nan 8.360 nan 0.000 0.452 312 S N -0.728 114.947 115.700 -0.042 0.000 2.428 312 S HA -0.041 4.432 4.470 0.005 0.000 0.230 312 S C 2.082 176.649 174.600 -0.055 0.000 1.014 312 S CA 0.830 58.994 58.200 -0.061 0.000 0.957 312 S CB -0.146 62.993 63.200 -0.102 0.000 0.784 312 S HN 0.152 nan 8.310 nan 0.000 0.499 313 V N 1.766 121.651 119.914 -0.049 0.000 2.719 313 V HA 0.013 4.136 4.120 0.005 0.000 0.252 313 V C 2.527 178.607 176.094 -0.023 0.000 1.065 313 V CA 1.487 63.762 62.300 -0.041 0.000 1.086 313 V CB -0.438 31.351 31.823 -0.057 0.000 0.700 313 V HN 0.495 nan 8.190 nan 0.000 0.467 314 K N -0.225 120.166 120.400 -0.016 0.000 2.167 314 K HA -0.095 4.228 4.320 0.005 0.000 0.203 314 K C 2.037 178.639 176.600 0.003 0.000 1.052 314 K CA 0.986 57.269 56.287 -0.007 0.000 0.956 314 K CB -0.220 32.280 32.500 0.000 0.000 0.735 314 K HN 0.454 nan 8.250 nan 0.000 0.451 315 N N 1.423 120.126 118.700 0.005 0.000 2.084 315 N HA -0.164 4.578 4.740 0.005 0.000 0.190 315 N C 1.531 177.061 175.510 0.033 0.000 1.030 315 N CA 1.329 54.394 53.050 0.025 0.000 0.849 315 N CB 0.150 38.645 38.487 0.013 0.000 1.012 315 N HN 0.108 nan 8.380 nan 0.000 0.423 316 K N 0.479 120.875 120.400 -0.006 0.000 2.097 316 K HA -0.045 4.278 4.320 0.005 0.000 0.206 316 K C 2.030 178.670 176.600 0.065 0.000 1.049 316 K CA 1.146 57.434 56.287 0.002 0.000 0.933 316 K CB -0.077 32.403 32.500 -0.033 0.000 0.717 316 K HN 0.182 nan 8.250 nan 0.000 0.442 317 A N 1.302 124.134 122.820 0.020 0.000 1.969 317 A HA -0.138 4.185 4.320 0.005 0.000 0.218 317 A C 1.971 179.535 177.584 -0.032 0.000 1.169 317 A CA 1.132 53.157 52.037 -0.020 0.000 0.635 317 A CB -0.264 18.707 19.000 -0.049 0.000 0.810 317 A HN 0.183 nan 8.150 nan 0.000 0.445 318 R N -2.117 118.390 120.500 0.010 0.000 2.075 318 R HA -0.116 4.226 4.340 0.005 0.000 0.232 318 R C 2.161 178.486 176.300 0.042 0.000 1.126 318 R CA 1.556 57.664 56.100 0.013 0.000 0.963 318 R CB -0.575 29.751 30.300 0.043 0.000 0.858 318 R HN 0.687 nan 8.270 nan 0.000 0.435 319 Y N 2.118 122.410 120.300 -0.014 0.000 2.081 319 Y HA -0.273 4.278 4.550 0.002 0.000 0.280 319 Y C 2.135 178.031 175.900 -0.006 0.000 1.163 319 Y CA 1.805 59.907 58.100 0.003 0.000 1.135 319 Y CB -0.456 37.976 38.460 -0.047 0.000 0.970 319 Y HN 0.047 nan 8.280 nan 0.000 0.498 320 L N 0.335 121.569 121.223 0.019 0.000 2.079 320 L HA -0.239 4.103 4.340 0.005 0.000 0.210 320 L C 2.203 179.006 176.870 -0.112 0.000 1.081 320 L CA 1.942 56.751 54.840 -0.052 0.000 0.752 320 L CB -0.502 41.589 42.059 0.054 0.000 0.896 320 L HN 0.260 nan 8.230 nan 0.000 0.433 321 K N 0.043 120.367 120.400 -0.128 0.000 2.057 321 K HA -0.121 4.201 4.320 0.005 0.000 0.206 321 K C 1.838 178.413 176.600 -0.043 0.000 1.050 321 K CA 1.445 57.673 56.287 -0.099 0.000 0.935 321 K CB -0.237 32.167 32.500 -0.160 0.000 0.715 321 K HN 0.446 nan 8.250 nan 0.000 0.439 322 N N 0.981 119.622 118.700 -0.099 0.000 2.289 322 N HA -0.135 4.608 4.740 0.005 0.000 0.184 322 N C 1.258 176.685 175.510 -0.138 0.000 1.016 322 N CA 1.031 54.021 53.050 -0.099 0.000 0.872 322 N CB -0.025 38.404 38.487 -0.098 0.000 0.973 322 N HN 0.173 nan 8.380 nan 0.000 0.433 323 R N 0.678 121.041 120.500 -0.228 0.000 2.359 323 R HA 0.164 4.506 4.340 0.005 0.000 0.231 323 R C -0.184 176.067 176.300 -0.080 0.000 0.913 323 R CA -0.036 55.947 56.100 -0.195 0.000 1.075 323 R CB 0.227 30.325 30.300 -0.337 0.000 1.087 323 R HN 0.223 nan 8.270 nan 0.000 0.515 324 Q N 0.689 120.474 119.800 -0.026 0.000 2.468 324 Q HA -0.192 4.151 4.340 0.005 0.000 0.289 324 Q C -0.575 175.461 176.000 0.060 0.000 1.299 324 Q CA 0.435 56.265 55.803 0.045 0.000 0.838 324 Q CB -1.638 27.111 28.738 0.018 0.000 1.195 324 Q HN 0.387 nan 8.270 nan 0.000 0.456 325 L N -1.140 120.126 121.223 0.072 0.000 2.479 325 L HA 0.351 4.693 4.340 0.005 0.000 0.249 325 L C 1.708 178.660 176.870 0.137 0.000 1.178 325 L CA 0.432 55.319 54.840 0.079 0.000 0.811 325 L CB 0.141 42.238 42.059 0.064 0.000 1.187 325 L HN 0.318 nan 8.230 nan 0.000 0.480 326 A N 0.315 123.193 122.820 0.097 0.000 2.015 326 A HA 0.290 4.613 4.320 0.005 0.000 0.219 326 A C 0.961 178.630 177.584 0.141 0.000 1.163 326 A CA 1.484 53.570 52.037 0.082 0.000 0.646 326 A CB -0.368 18.652 19.000 0.033 0.000 0.806 326 A HN 1.000 nan 8.150 nan 0.000 0.448 327 G N -2.856 106.025 108.800 0.135 0.000 2.441 327 G HA2 0.572 4.535 3.960 0.005 0.000 0.222 327 G HA3 0.572 4.535 3.960 0.005 0.000 0.222 327 G C -0.936 173.992 174.900 0.046 0.000 1.254 327 G CA -0.054 45.115 45.100 0.115 0.000 0.959 327 G HN 1.298 nan 8.290 nan 0.000 0.474 328 A N -0.509 122.325 122.820 0.023 0.000 2.413 328 A HA 0.860 5.183 4.320 0.005 0.000 0.307 328 A C -0.468 177.154 177.584 0.064 0.000 1.087 328 A CA -0.446 51.621 52.037 0.049 0.000 0.750 328 A CB 1.970 20.992 19.000 0.037 0.000 1.296 328 A HN 1.514 nan 8.150 nan 0.000 0.423 329 M N 2.400 122.086 119.600 0.143 0.000 2.393 329 M HA 0.631 5.114 4.480 0.005 0.000 0.316 329 M C -2.103 174.368 176.300 0.285 0.000 1.087 329 M CA -0.586 54.850 55.300 0.227 0.000 0.937 329 M CB 1.420 34.224 32.600 0.339 0.000 1.668 329 M HN 0.409 nan 8.290 nan 0.000 0.438 330 V N 5.557 125.648 119.914 0.295 0.000 2.487 330 V HA 0.500 4.622 4.120 0.005 0.000 0.298 330 V C -1.295 175.030 176.094 0.384 0.000 1.028 330 V CA -0.579 61.886 62.300 0.274 0.000 0.860 330 V CB 2.079 33.989 31.823 0.144 0.000 0.991 330 V HN 0.867 nan 8.190 nan 0.000 0.427 331 W N 6.242 127.646 121.300 0.173 0.000 2.393 331 W HA 0.802 5.464 4.660 0.003 0.000 0.315 331 W C -0.732 175.860 176.519 0.123 0.000 1.009 331 W CA -0.576 56.847 57.345 0.130 0.000 1.313 331 W CB 1.658 31.136 29.460 0.029 0.000 1.269 331 W HN 0.690 nan 8.180 nan 0.000 0.420 332 A N 5.203 127.902 122.820 -0.202 0.000 2.556 332 A HA 0.458 4.780 4.320 0.005 0.000 0.294 332 A C 0.338 177.830 177.584 -0.153 0.000 1.091 332 A CA -0.662 51.096 52.037 -0.465 0.000 0.704 332 A CB 1.416 19.680 19.000 -1.227 0.000 1.300 332 A HN 0.616 nan 8.150 nan 0.000 0.406 333 L N -0.032 121.142 121.223 -0.082 0.000 2.089 333 L HA -0.240 4.103 4.340 0.005 0.000 0.213 333 L C 1.835 178.819 176.870 0.191 0.000 1.079 333 L CA 2.447 57.364 54.840 0.128 0.000 0.758 333 L CB -0.518 41.591 42.059 0.084 0.000 0.891 333 L HN 1.006 nan 8.230 nan 0.000 0.433 334 D N -1.022 119.334 120.400 -0.074 0.000 2.349 334 D HA -0.079 4.564 4.640 0.005 0.000 0.224 334 D C 1.650 178.005 176.300 0.092 0.000 1.029 334 D CA 0.498 54.374 54.000 -0.206 0.000 0.879 334 D CB -0.039 40.491 40.800 -0.449 0.000 0.906 334 D HN 0.328 nan 8.370 nan 0.000 0.528 335 L N -0.681 120.620 121.223 0.129 0.000 2.766 335 L HA 0.244 4.586 4.340 0.005 0.000 0.242 335 L C 0.718 177.757 176.870 0.281 0.000 1.136 335 L CA -0.308 54.636 54.840 0.173 0.000 0.933 335 L CB 0.272 42.379 42.059 0.079 0.000 1.241 335 L HN 0.051 nan 8.230 nan 0.000 0.522 336 D N 0.233 120.853 120.400 0.366 0.000 2.423 336 D HA 0.007 4.650 4.640 0.005 0.000 0.255 336 D C -0.450 176.097 176.300 0.411 0.000 1.174 336 D CA -0.255 53.975 54.000 0.382 0.000 1.008 336 D CB 1.336 42.368 40.800 0.387 0.000 1.101 336 D HN -0.166 nan 8.370 nan 0.000 0.516 337 D N 0.610 121.186 120.400 0.293 0.000 2.508 337 D HA 0.023 4.666 4.640 0.005 0.000 0.224 337 D C 0.972 177.103 176.300 -0.282 0.000 1.171 337 D CA -0.323 53.690 54.000 0.023 0.000 1.006 337 D CB -0.901 39.967 40.800 0.115 0.000 1.073 337 D HN 0.313 nan 8.370 nan 0.000 0.513 338 F N 1.078 120.772 119.950 -0.427 0.000 2.325 338 F HA 0.117 4.646 4.527 0.004 0.000 0.299 338 F C 1.760 177.195 175.800 -0.608 0.000 1.090 338 F CA 0.373 57.797 58.000 -0.960 0.000 1.392 338 F CB -0.320 38.286 39.000 -0.657 0.000 1.053 338 F HN 0.079 nan 8.300 nan 0.000 0.521 339 R N 0.546 120.548 120.500 -0.831 0.000 2.210 339 R HA 0.214 4.557 4.340 0.005 0.000 0.203 339 R C 1.547 177.688 176.300 -0.264 0.000 1.010 339 R CA 0.625 56.455 56.100 -0.450 0.000 1.008 339 R CB -0.393 29.617 30.300 -0.483 0.000 0.923 339 R HN 0.530 nan 8.270 nan 0.000 0.469 340 G N 1.322 109.977 108.800 -0.242 0.000 2.176 340 G HA2 -0.263 3.700 3.960 0.005 0.000 0.252 340 G HA3 -0.263 3.700 3.960 0.005 0.000 0.252 340 G C 0.398 175.251 174.900 -0.078 0.000 1.024 340 G CA 0.757 45.793 45.100 -0.107 0.000 0.755 340 G HN 0.440 nan 8.290 nan 0.000 0.507 341 T N -4.070 110.424 114.554 -0.099 0.000 3.442 341 T HA 0.625 4.978 4.350 0.005 0.000 0.295 341 T C 0.709 175.221 174.700 -0.313 0.000 1.007 341 T CA 0.035 62.020 62.100 -0.191 0.000 0.962 341 T CB -0.153 68.543 68.868 -0.286 0.000 1.187 341 T HN 0.223 nan 8.240 nan 0.000 0.490 342 F N -0.616 119.256 119.950 -0.131 0.000 2.876 342 F HA 0.360 4.890 4.527 0.004 0.000 0.344 342 F C 1.666 177.437 175.800 -0.048 0.000 1.029 342 F CA -0.545 57.403 58.000 -0.086 0.000 1.154 342 F CB 0.711 39.650 39.000 -0.101 0.000 1.040 342 F HN 0.339 nan 8.300 nan 0.000 0.576 343 c N 0.165 118.848 118.600 0.140 0.000 3.183 343 c HA 0.707 5.280 4.570 0.005 0.000 0.285 343 c C 1.472 175.605 174.090 0.071 0.000 1.313 343 c CA 0.180 56.551 56.329 0.070 0.000 1.711 343 c CB -0.750 41.797 42.510 0.061 0.000 2.135 343 c HN 0.778 nan 8.230 nan 0.000 0.651 344 G N 1.510 110.346 108.800 0.060 0.000 2.662 344 G HA2 -0.186 3.777 3.960 0.005 0.000 0.236 344 G HA3 -0.186 3.777 3.960 0.005 0.000 0.236 344 G C 0.007 174.931 174.900 0.040 0.000 1.212 344 G CA -0.014 45.116 45.100 0.049 0.000 0.968 344 G HN 0.665 nan 8.290 nan 0.000 0.576 345 Q N 1.897 121.725 119.800 0.047 0.000 3.553 345 Q HA -0.100 4.243 4.340 0.005 0.000 0.363 345 Q C 0.065 176.090 176.000 0.043 0.000 1.136 345 Q CA 1.349 57.177 55.803 0.043 0.000 1.269 345 Q CB -1.513 27.255 28.738 0.050 0.000 0.995 345 Q HN 0.641 nan 8.270 nan 0.000 0.442 346 N N 3.734 122.449 118.700 0.025 0.000 2.292 346 N HA 0.064 4.806 4.740 0.005 0.000 0.284 346 N C -0.698 174.831 175.510 0.031 0.000 1.387 346 N CA 0.540 53.600 53.050 0.016 0.000 0.961 346 N CB 0.052 38.540 38.487 0.002 0.000 1.356 346 N HN 0.596 nan 8.380 nan 0.000 0.491 347 L N 0.989 122.236 121.223 0.041 0.000 2.526 347 L HA 0.323 4.666 4.340 0.005 0.000 0.263 347 L C -0.378 176.526 176.870 0.056 0.000 0.943 347 L CA -0.606 54.272 54.840 0.063 0.000 0.859 347 L CB 2.264 44.374 42.059 0.085 0.000 1.313 347 L HN 0.312 nan 8.230 nan 0.000 0.406 348 T N 2.896 117.493 114.554 0.072 0.000 2.869 348 T HA 0.385 4.738 4.350 0.005 0.000 0.295 348 T C -0.087 174.713 174.700 0.166 0.000 0.987 348 T CA 0.330 62.440 62.100 0.017 0.000 1.109 348 T CB -0.054 68.872 68.868 0.097 0.000 0.932 348 T HN 0.395 nan 8.240 nan 0.000 0.518 349 F N 4.196 124.221 119.950 0.124 0.000 2.891 349 F HA -0.154 4.375 4.527 0.004 0.000 0.272 349 F C -1.232 174.626 175.800 0.097 0.000 1.004 349 F CA -0.005 58.070 58.000 0.126 0.000 0.938 349 F CB -1.476 37.587 39.000 0.106 0.000 0.939 349 F HN 0.546 nan 8.300 nan 0.000 0.833 350 P HA -0.230 nan 4.420 nan 0.000 0.215 350 P C 1.879 179.230 177.300 0.086 0.000 1.157 350 P CA 1.465 64.661 63.100 0.160 0.000 0.874 350 P CB 0.311 32.139 31.700 0.213 0.000 0.790 351 L N -0.261 120.966 121.223 0.007 0.000 1.994 351 L HA -0.097 4.246 4.340 0.005 0.000 0.208 351 L C 2.691 179.566 176.870 0.009 0.000 1.071 351 L CA 2.232 57.015 54.840 -0.096 0.000 0.745 351 L CB -1.990 39.914 42.059 -0.258 0.000 0.892 351 L HN -0.007 nan 8.230 nan 0.000 0.431 352 T N -1.532 113.075 114.554 0.087 0.000 2.788 352 T HA -0.141 4.212 4.350 0.005 0.000 0.268 352 T C 2.034 176.769 174.700 0.058 0.000 1.044 352 T CA 1.487 63.630 62.100 0.073 0.000 1.139 352 T CB -0.245 68.668 68.868 0.075 0.000 0.867 352 T HN 0.266 nan 8.240 nan 0.000 0.454 353 S N 1.475 117.233 115.700 0.097 0.000 2.382 353 S HA 0.012 4.485 4.470 0.005 0.000 0.228 353 S C 2.585 177.214 174.600 0.049 0.000 1.027 353 S CA 0.835 59.083 58.200 0.080 0.000 0.991 353 S CB -0.490 62.779 63.200 0.115 0.000 0.823 353 S HN 0.607 nan 8.310 nan 0.000 0.469 354 A N 1.102 123.946 122.820 0.040 0.000 1.930 354 A HA -0.020 4.303 4.320 0.005 0.000 0.217 354 A C 2.309 179.896 177.584 0.006 0.000 1.175 354 A CA 1.319 53.368 52.037 0.020 0.000 0.627 354 A CB -0.782 18.223 19.000 0.008 0.000 0.815 354 A HN 0.347 nan 8.150 nan 0.000 0.443 355 V N 0.198 120.115 119.914 0.004 0.000 2.427 355 V HA -0.233 3.890 4.120 0.005 0.000 0.248 355 V C 2.516 178.603 176.094 -0.012 0.000 1.051 355 V CA 2.278 64.574 62.300 -0.007 0.000 1.048 355 V CB -0.579 31.245 31.823 0.002 0.000 0.666 355 V HN 0.690 nan 8.190 nan 0.000 0.456 356 K N -0.138 120.265 120.400 0.005 0.000 2.097 356 K HA -0.211 4.112 4.320 0.005 0.000 0.205 356 K C 1.788 178.394 176.600 0.008 0.000 1.050 356 K CA 1.702 57.994 56.287 0.010 0.000 0.938 356 K CB -0.168 32.346 32.500 0.023 0.000 0.718 356 K HN 0.446 nan 8.250 nan 0.000 0.442 357 D N 0.318 120.724 120.400 0.010 0.000 2.117 357 D HA -0.135 4.507 4.640 0.005 0.000 0.197 357 D C 1.975 178.273 176.300 -0.004 0.000 0.987 357 D CA 1.038 55.044 54.000 0.010 0.000 0.829 357 D CB -0.112 40.698 40.800 0.016 0.000 0.961 357 D HN 0.047 nan 8.370 nan 0.000 0.460 358 V N 1.056 120.957 119.914 -0.022 0.000 2.307 358 V HA -0.209 3.914 4.120 0.005 0.000 0.245 358 V C 2.479 178.520 176.094 -0.088 0.000 1.045 358 V CA 1.004 63.276 62.300 -0.046 0.000 1.024 358 V CB -0.342 31.448 31.823 -0.056 0.000 0.651 358 V HN 0.120 nan 8.190 nan 0.000 0.449 359 L N 0.486 121.636 121.223 -0.123 0.000 2.127 359 L HA -0.094 4.249 4.340 0.005 0.000 0.211 359 L C 2.466 179.339 176.870 0.006 0.000 1.089 359 L CA 2.190 56.909 54.840 -0.203 0.000 0.757 359 L CB -1.270 40.706 42.059 -0.139 0.000 0.899 359 L HN 0.326 nan 8.230 nan 0.000 0.434 360 A N -1.643 121.196 122.820 0.033 0.000 2.119 360 A HA -0.042 4.281 4.320 0.005 0.000 0.216 360 A C 1.238 178.860 177.584 0.063 0.000 1.152 360 A CA 0.216 52.294 52.037 0.069 0.000 0.708 360 A CB -0.359 18.669 19.000 0.046 0.000 0.805 360 A HN 0.417 nan 8.150 nan 0.000 0.460 361 E N -0.382 119.841 120.200 0.038 0.000 2.421 361 E HA 0.311 4.664 4.350 0.005 0.000 0.253 361 E C 0.139 176.779 176.600 0.066 0.000 1.277 361 E CA -0.509 55.913 56.400 0.037 0.000 0.968 361 E CB 0.482 30.191 29.700 0.015 0.000 1.040 361 E HN 0.159 nan 8.360 nan 0.000 0.512 362 V N 0.000 119.948 119.914 0.056 0.000 2.409 362 V HA 0.000 4.123 4.120 0.005 0.000 0.244 362 V CA 0.000 62.343 62.300 0.071 0.000 1.235 362 V CB 0.000 31.851 31.823 0.046 0.000 1.184 362 V HN 0.000 nan 8.190 nan 0.000 0.556