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 4rcr_1_M DATA FIRST_RESID 6 DATA SEQUENCE IFSQVQVRGP ADLGMTEDVN LANRSGVGPF STLLGWFGNA QLGPIYLGSL DATA SEQUENCE GVLSLFSGLM WFFTIGIWFW YQAGWNPAVF LRDLFFFSLE PPAPEYGLSF DATA SEQUENCE AAPLKEGGLW LIASFFMFVA VWSWWGRTYL RAQALGMGKH TAWAFLSAIW DATA SEQUENCE LWMVLGFIRP ILMGSWSEAV PYGIFSHLDW TNNFSLVHGN LFYNPFHGLS DATA SEQUENCE IAFLYGSALL FAMHGATILA VSRFGGEREL EQIADRGTAA ERAALFWRWT DATA SEQUENCE MGFNATMEGI HRWAIWMAVL VTLTGGIGIL LSGTVVDNWY VWGQNH 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 6 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 176.215 176.117 0.163 0.000 1.063 6 I CA 0.000 61.334 61.300 0.057 0.000 1.566 6 I CB 0.000 38.040 38.000 0.066 0.000 1.214 7 F N 3.013 122.941 119.950 -0.037 0.000 3.588 7 F HA 0.483 5.010 4.527 -0.001 0.000 0.396 7 F C -0.404 175.425 175.800 0.048 0.000 1.213 7 F CA -0.798 57.194 58.000 -0.012 0.000 1.387 7 F CB 0.627 39.643 39.000 0.027 0.000 2.059 7 F HN 0.014 nan 8.300 nan 0.000 0.754 8 S N 3.961 119.611 115.700 -0.084 0.000 4.234 8 S HA -0.234 4.235 4.470 -0.001 0.000 0.500 8 S C 0.963 175.605 174.600 0.071 0.000 1.062 8 S CA 1.343 59.534 58.200 -0.017 0.000 0.852 8 S CB 0.076 63.273 63.200 -0.005 0.000 1.045 8 S HN 0.959 nan 8.310 nan 0.000 0.429 9 Q N 0.805 120.673 119.800 0.112 0.000 2.245 9 Q HA 0.419 4.759 4.340 -0.001 0.000 0.236 9 Q C -0.389 175.723 176.000 0.187 0.000 0.842 9 Q CA 0.000 55.884 55.803 0.135 0.000 0.945 9 Q CB 0.656 29.434 28.738 0.066 0.000 1.122 9 Q HN 0.437 nan 8.270 nan 0.000 0.506 10 V N 2.099 122.095 119.914 0.137 0.000 2.509 10 V HA 0.252 4.372 4.120 -0.001 0.000 0.289 10 V C -1.063 175.035 176.094 0.007 0.000 1.026 10 V CA -0.648 61.700 62.300 0.081 0.000 0.872 10 V CB 1.635 33.481 31.823 0.039 0.000 1.017 10 V HN 0.268 nan 8.190 nan 0.000 0.436 11 Q N 2.382 122.140 119.800 -0.069 0.000 2.261 11 Q HA 0.704 5.044 4.340 -0.001 0.000 0.252 11 Q C -1.078 174.846 176.000 -0.128 0.000 0.915 11 Q CA -0.079 55.623 55.803 -0.169 0.000 0.915 11 Q CB 2.131 30.626 28.738 -0.404 0.000 1.204 11 Q HN 0.573 nan 8.270 nan 0.000 0.421 12 V N 3.803 123.653 119.914 -0.107 0.000 3.102 12 V HA 0.661 4.780 4.120 -0.001 0.000 0.312 12 V C -1.365 174.678 176.094 -0.084 0.000 1.135 12 V CA -0.636 61.614 62.300 -0.084 0.000 1.022 12 V CB 2.351 34.140 31.823 -0.057 0.000 1.056 12 V HN 0.866 nan 8.190 nan 0.000 0.436 13 R N 2.580 123.038 120.500 -0.070 0.000 3.270 13 R HA 0.346 4.686 4.340 -0.001 0.000 0.299 13 R C -0.164 176.106 176.300 -0.051 0.000 1.188 13 R CA -0.312 55.751 56.100 -0.062 0.000 1.090 13 R CB 0.468 30.724 30.300 -0.074 0.000 1.329 13 R HN 0.866 nan 8.270 nan 0.000 0.381 14 G N 2.534 111.308 108.800 -0.042 0.000 2.624 14 G HA2 0.462 4.421 3.960 -0.001 0.000 0.217 14 G HA3 0.462 4.421 3.960 -0.001 0.000 0.217 14 G C -1.165 173.715 174.900 -0.034 0.000 1.506 14 G CA -0.551 44.528 45.100 -0.036 0.000 1.072 14 G HN 0.345 nan 8.290 nan 0.000 0.568 15 P HA 0.217 nan 4.420 nan 0.000 0.281 15 P C -0.404 176.880 177.300 -0.027 0.000 1.461 15 P CA 0.764 63.848 63.100 -0.027 0.000 0.967 15 P CB -0.084 31.602 31.700 -0.024 0.000 1.357 16 A N -0.502 122.303 122.820 -0.024 0.000 2.414 16 A HA 0.510 4.830 4.320 -0.001 0.000 0.286 16 A C -1.003 176.569 177.584 -0.019 0.000 1.073 16 A CA -0.478 51.546 52.037 -0.021 0.000 0.727 16 A CB 0.910 19.897 19.000 -0.021 0.000 1.215 16 A HN 0.267 nan 8.150 nan 0.000 0.430 17 D N 0.459 120.849 120.400 -0.018 0.000 2.392 17 D HA 0.873 5.513 4.640 -0.001 0.000 0.246 17 D C -0.327 175.964 176.300 -0.016 0.000 1.013 17 D CA 0.098 54.087 54.000 -0.018 0.000 0.993 17 D CB 1.672 42.460 40.800 -0.020 0.000 1.219 17 D HN 0.380 nan 8.370 nan 0.000 0.538 18 L N -1.295 119.918 121.223 -0.017 0.000 3.133 18 L HA 0.784 5.124 4.340 -0.001 0.000 0.289 18 L C -0.209 176.650 176.870 -0.018 0.000 1.012 18 L CA -1.009 53.822 54.840 -0.016 0.000 1.001 18 L CB 0.810 42.860 42.059 -0.014 0.000 1.580 18 L HN 0.512 nan 8.230 nan 0.000 0.373 19 G N -0.586 108.204 108.800 -0.016 0.000 2.673 19 G HA2 0.611 4.570 3.960 -0.001 0.000 0.292 19 G HA3 0.611 4.570 3.960 -0.001 0.000 0.292 19 G C -0.892 173.999 174.900 -0.015 0.000 1.450 19 G CA -0.353 44.735 45.100 -0.020 0.000 0.837 19 G HN 0.955 nan 8.290 nan 0.000 0.505 20 M N 0.188 119.777 119.600 -0.018 0.000 1.898 20 M HA 0.413 4.892 4.480 -0.001 0.000 0.187 20 M C 0.917 177.210 176.300 -0.011 0.000 1.235 20 M CA 1.703 56.994 55.300 -0.015 0.000 0.836 20 M CB 0.489 33.078 32.600 -0.020 0.000 1.128 20 M HN 0.993 nan 8.290 nan 0.000 0.320 21 T N -3.452 111.099 114.554 -0.005 0.000 3.941 21 T HA 0.204 4.553 4.350 -0.001 0.000 0.320 21 T C 0.209 174.903 174.700 -0.009 0.000 0.912 21 T CA -0.016 62.079 62.100 -0.008 0.000 0.989 21 T CB -0.523 68.358 68.868 0.021 0.000 1.177 21 T HN 0.911 nan 8.240 nan 0.000 0.507 22 E N 0.541 120.733 120.200 -0.013 0.000 2.495 22 E HA -0.243 4.107 4.350 -0.001 0.000 0.247 22 E C -0.495 176.102 176.600 -0.006 0.000 1.346 22 E CA 1.494 57.886 56.400 -0.014 0.000 0.705 22 E CB -0.436 29.250 29.700 -0.023 0.000 1.251 22 E HN 0.744 nan 8.360 nan 0.000 0.405 23 D N -2.399 118.008 120.400 0.012 0.000 2.648 23 D HA 0.055 4.694 4.640 -0.001 0.000 0.244 23 D C 0.160 176.508 176.300 0.080 0.000 1.244 23 D CA -0.393 53.630 54.000 0.038 0.000 0.772 23 D CB 1.742 42.562 40.800 0.033 0.000 1.379 23 D HN -0.193 nan 8.370 nan 0.000 0.428 24 V N 3.114 123.073 119.914 0.075 0.000 3.118 24 V HA -0.281 3.838 4.120 -0.001 0.000 0.271 24 V C 2.018 178.074 176.094 -0.064 0.000 1.261 24 V CA 1.577 63.880 62.300 0.006 0.000 1.370 24 V CB -2.138 29.674 31.823 -0.017 0.000 1.230 24 V HN 0.562 nan 8.190 nan 0.000 0.538 25 N N 1.206 119.899 118.700 -0.013 0.000 2.387 25 N HA -0.340 4.400 4.740 -0.001 0.000 0.197 25 N C 1.834 177.267 175.510 -0.129 0.000 1.001 25 N CA 1.742 54.768 53.050 -0.040 0.000 0.906 25 N CB -0.632 37.847 38.487 -0.013 0.000 0.961 25 N HN 0.741 nan 8.380 nan 0.000 0.452 26 L N 0.251 121.388 121.223 -0.143 0.000 2.166 26 L HA -0.259 4.080 4.340 -0.001 0.000 0.228 26 L C 1.167 177.920 176.870 -0.195 0.000 1.101 26 L CA 1.872 56.619 54.840 -0.155 0.000 0.821 26 L CB -1.075 40.884 42.059 -0.167 0.000 0.908 26 L HN 0.256 nan 8.230 nan 0.000 0.447 27 A N 0.273 122.895 122.820 -0.331 0.000 2.511 27 A HA 0.287 4.606 4.320 -0.001 0.000 0.242 27 A C 0.450 177.926 177.584 -0.180 0.000 1.069 27 A CA 0.665 52.494 52.037 -0.347 0.000 0.763 27 A CB 0.221 18.788 19.000 -0.721 0.000 1.001 27 A HN 0.790 nan 8.150 nan 0.000 0.498 28 N N -0.712 117.917 118.700 -0.118 0.000 2.351 28 N HA -0.001 4.739 4.740 -0.001 0.000 0.327 28 N C 0.287 175.768 175.510 -0.048 0.000 0.832 28 N CA -0.180 52.832 53.050 -0.064 0.000 0.596 28 N CB -0.180 38.272 38.487 -0.059 0.000 2.321 28 N HN 0.662 nan 8.380 nan 0.000 1.009 29 R N 1.340 121.805 120.500 -0.058 0.000 2.840 29 R HA -0.015 4.325 4.340 -0.001 0.000 0.272 29 R C -0.264 176.020 176.300 -0.027 0.000 0.975 29 R CA 1.255 57.330 56.100 -0.042 0.000 1.132 29 R CB -0.103 30.169 30.300 -0.047 0.000 1.024 29 R HN 0.257 nan 8.270 nan 0.000 0.455 30 S N -1.392 114.299 115.700 -0.015 0.000 3.312 30 S HA -0.136 4.333 4.470 -0.001 0.000 0.667 30 S C -0.313 174.285 174.600 -0.004 0.000 0.777 30 S CA 0.441 58.640 58.200 -0.002 0.000 1.365 30 S CB -0.406 62.801 63.200 0.013 0.000 1.146 30 S HN 0.886 nan 8.310 nan 0.000 0.726 31 G N 2.661 111.458 108.800 -0.005 0.000 2.379 31 G HA2 0.596 4.555 3.960 -0.001 0.000 0.327 31 G HA3 0.596 4.555 3.960 -0.001 0.000 0.327 31 G C 0.305 175.203 174.900 -0.004 0.000 1.145 31 G CA -0.159 44.935 45.100 -0.010 0.000 0.905 31 G HN 1.905 nan 8.290 nan 0.000 0.466 32 V N 1.627 121.537 119.914 -0.006 0.000 2.546 32 V HA 0.390 4.509 4.120 -0.001 0.000 0.279 32 V C 0.833 176.920 176.094 -0.011 0.000 0.968 32 V CA 0.650 62.947 62.300 -0.004 0.000 1.157 32 V CB 0.084 31.901 31.823 -0.011 0.000 0.938 32 V HN 0.937 nan 8.190 nan 0.000 0.464 33 G N 6.272 115.071 108.800 -0.000 0.000 4.804 33 G HA2 0.519 4.479 3.960 -0.001 0.000 0.310 33 G HA3 0.519 4.479 3.960 -0.001 0.000 0.310 33 G C -2.093 172.791 174.900 -0.027 0.000 1.389 33 G CA -1.496 43.586 45.100 -0.030 0.000 1.106 33 G HN 0.752 nan 8.290 nan 0.000 0.595 34 P HA -0.186 nan 4.420 nan 0.000 0.259 34 P C -0.677 176.623 177.300 -0.001 0.000 1.111 34 P CA 1.005 64.105 63.100 -0.000 0.000 0.758 34 P CB 0.141 31.819 31.700 -0.037 0.000 0.693 35 F N 1.828 121.743 119.950 -0.058 0.000 2.469 35 F HA 0.352 4.878 4.527 -0.001 0.000 0.332 35 F C 1.446 177.179 175.800 -0.111 0.000 1.103 35 F CA 0.373 58.338 58.000 -0.058 0.000 0.979 35 F CB 1.733 40.720 39.000 -0.022 0.000 1.137 35 F HN 0.315 nan 8.300 nan 0.000 0.463 36 S N 0.580 116.341 115.700 0.101 0.000 3.226 36 S HA 0.005 4.474 4.470 -0.001 0.000 0.195 36 S C 1.716 176.119 174.600 -0.330 0.000 0.793 36 S CA 0.729 58.816 58.200 -0.189 0.000 0.816 36 S CB -0.085 62.971 63.200 -0.241 0.000 0.847 36 S HN 0.534 nan 8.310 nan 0.000 0.630 37 T N 2.517 116.975 114.554 -0.160 0.000 2.635 37 T HA 0.009 4.359 4.350 -0.001 0.000 0.267 37 T C 1.275 176.207 174.700 0.386 0.000 1.040 37 T CA 1.957 64.153 62.100 0.160 0.000 1.156 37 T CB -0.970 68.097 68.868 0.330 0.000 0.863 37 T HN 0.302 nan 8.240 nan 0.000 0.430 38 L N 1.058 122.479 121.223 0.330 0.000 2.386 38 L HA 0.082 4.421 4.340 -0.001 0.000 0.164 38 L C 1.702 178.624 176.870 0.087 0.000 1.119 38 L CA 0.119 55.083 54.840 0.207 0.000 2.312 38 L CB -0.821 41.346 42.059 0.180 0.000 2.344 38 L HN 0.110 nan 8.230 nan 0.000 0.715 39 L N 0.761 121.885 121.223 -0.164 0.000 3.033 39 L HA -0.077 4.262 4.340 -0.001 0.000 0.261 39 L C 1.547 178.440 176.870 0.039 0.000 1.153 39 L CA 1.262 56.057 54.840 -0.076 0.000 0.888 39 L CB -3.189 38.718 42.059 -0.253 0.000 1.136 39 L HN 0.699 nan 8.230 nan 0.000 0.447 40 G N -1.331 107.500 108.800 0.051 0.000 2.760 40 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.214 40 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.214 40 G C 1.301 176.180 174.900 -0.035 0.000 1.212 40 G CA 0.022 45.089 45.100 -0.054 0.000 0.858 40 G HN 0.362 nan 8.290 nan 0.000 0.611 41 W N -0.026 121.213 121.300 -0.101 0.000 2.305 41 W HA -0.129 4.531 4.660 -0.001 0.000 0.308 41 W C 2.138 178.340 176.519 -0.529 0.000 1.226 41 W CA 0.836 57.990 57.345 -0.318 0.000 1.253 41 W CB -0.142 29.166 29.460 -0.253 0.000 1.146 41 W HN 0.217 nan 8.180 nan 0.000 0.507 42 F N -0.326 119.602 119.950 -0.037 0.000 2.208 42 F HA 0.232 4.759 4.527 -0.001 0.000 0.282 42 F C 1.987 177.819 175.800 0.054 0.000 1.071 42 F CA 2.161 60.206 58.000 0.075 0.000 1.228 42 F CB -0.861 38.298 39.000 0.266 0.000 1.088 42 F HN -0.228 nan 8.300 nan 0.000 0.512 43 G N -0.774 108.074 108.800 0.080 0.000 2.583 43 G HA2 0.174 4.133 3.960 -0.001 0.000 0.214 43 G HA3 0.174 4.133 3.960 -0.001 0.000 0.214 43 G C -0.857 174.021 174.900 -0.037 0.000 2.072 43 G CA -0.407 44.670 45.100 -0.038 0.000 0.745 43 G HN 0.266 nan 8.290 nan 0.000 0.762 44 N N -0.298 118.406 118.700 0.008 0.000 2.295 44 N HA 0.467 5.206 4.740 -0.001 0.000 0.293 44 N C 0.807 176.321 175.510 0.007 0.000 1.040 44 N CA -0.111 52.934 53.050 -0.008 0.000 0.840 44 N CB 2.324 40.808 38.487 -0.006 0.000 1.468 44 N HN 0.274 nan 8.380 nan 0.000 0.478 45 A N 2.554 125.368 122.820 -0.009 0.000 1.897 45 A HA -0.134 4.186 4.320 -0.001 0.000 0.215 45 A C 1.312 178.925 177.584 0.048 0.000 1.181 45 A CA 1.118 53.158 52.037 0.005 0.000 0.620 45 A CB -0.396 18.571 19.000 -0.054 0.000 0.821 45 A HN 0.832 nan 8.150 nan 0.000 0.443 46 Q N -1.366 118.450 119.800 0.027 0.000 3.244 46 Q HA 0.295 4.635 4.340 -0.001 0.000 0.189 46 Q C -0.764 175.287 176.000 0.086 0.000 1.197 46 Q CA 0.868 56.694 55.803 0.039 0.000 1.312 46 Q CB 0.081 28.829 28.738 0.017 0.000 1.394 46 Q HN 0.594 nan 8.270 nan 0.000 0.724 47 L N 0.290 121.556 121.223 0.072 0.000 4.403 47 L HA 0.354 4.694 4.340 -0.001 0.000 0.245 47 L C -0.656 176.253 176.870 0.065 0.000 1.066 47 L CA 0.484 55.386 54.840 0.103 0.000 1.377 47 L CB 0.199 42.381 42.059 0.204 0.000 1.961 47 L HN 0.914 nan 8.230 nan 0.000 0.701 48 G N 3.732 112.560 108.800 0.048 0.000 2.760 48 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.246 48 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.246 48 G C -2.857 172.054 174.900 0.018 0.000 1.359 48 G CA -0.492 44.627 45.100 0.030 0.000 0.861 48 G HN 0.479 nan 8.290 nan 0.000 0.541 49 P HA 0.414 nan 4.420 nan 0.000 0.287 49 P C 0.590 177.900 177.300 0.017 0.000 1.282 49 P CA 0.213 63.319 63.100 0.009 0.000 0.804 49 P CB 0.528 32.230 31.700 0.004 0.000 1.323 50 I N -3.422 117.160 120.570 0.020 0.000 3.244 50 I HA 0.311 4.480 4.170 -0.001 0.000 0.314 50 I C -1.768 174.391 176.117 0.069 0.000 1.342 50 I CA -0.787 60.536 61.300 0.038 0.000 0.925 50 I CB 2.263 40.277 38.000 0.024 0.000 1.321 50 I HN 0.216 nan 8.210 nan 0.000 0.500 51 Y N 4.303 124.557 120.300 -0.075 0.000 2.379 51 Y HA 0.462 5.011 4.550 -0.001 0.000 0.342 51 Y C -1.542 174.295 175.900 -0.106 0.000 1.126 51 Y CA -0.802 57.245 58.100 -0.089 0.000 1.310 51 Y CB 0.639 39.036 38.460 -0.106 0.000 1.115 51 Y HN 0.273 nan 8.280 nan 0.000 0.505 52 L N 6.051 127.206 121.223 -0.113 0.000 2.934 52 L HA 0.474 4.814 4.340 -0.001 0.000 0.233 52 L C 1.445 178.251 176.870 -0.106 0.000 1.358 52 L CA -0.062 54.748 54.840 -0.049 0.000 1.233 52 L CB -0.451 41.568 42.059 -0.067 0.000 1.594 52 L HN 0.780 nan 8.230 nan 0.000 0.439 53 G N -0.047 108.748 108.800 -0.008 0.000 2.518 53 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.467 53 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.467 53 G C 1.151 176.064 174.900 0.022 0.000 1.268 53 G CA 0.448 45.598 45.100 0.084 0.000 1.268 53 G HN 0.389 nan 8.290 nan 0.000 0.728 54 S N -1.544 114.179 115.700 0.039 0.000 2.344 54 S HA -0.127 4.343 4.470 -0.001 0.000 0.217 54 S C 2.521 177.129 174.600 0.013 0.000 1.033 54 S CA 1.572 59.775 58.200 0.005 0.000 1.017 54 S CB -0.424 62.782 63.200 0.011 0.000 0.941 54 S HN 0.301 nan 8.310 nan 0.000 0.430 55 L N 2.032 123.270 121.223 0.024 0.000 1.970 55 L HA 0.016 4.355 4.340 -0.001 0.000 0.212 55 L C 2.943 179.834 176.870 0.035 0.000 1.071 55 L CA 2.206 57.065 54.840 0.031 0.000 0.751 55 L CB -2.097 39.969 42.059 0.012 0.000 0.889 55 L HN 0.540 nan 8.230 nan 0.000 0.432 56 G N -0.405 108.392 108.800 -0.005 0.000 2.581 56 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.223 56 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.223 56 G C 1.711 176.652 174.900 0.068 0.000 1.094 56 G CA 1.609 46.704 45.100 -0.010 0.000 0.736 56 G HN 0.422 nan 8.290 nan 0.000 0.588 57 V N -0.434 119.512 119.914 0.053 0.000 2.216 57 V HA -0.139 3.981 4.120 -0.001 0.000 0.242 57 V C 2.477 178.646 176.094 0.126 0.000 1.042 57 V CA 1.837 64.167 62.300 0.049 0.000 0.991 57 V CB -0.930 30.889 31.823 -0.006 0.000 0.633 57 V HN 0.178 nan 8.190 nan 0.000 0.449 58 L N 0.902 122.217 121.223 0.152 0.000 1.980 58 L HA -0.247 4.093 4.340 -0.001 0.000 0.232 58 L C 2.839 179.859 176.870 0.250 0.000 1.092 58 L CA 2.709 57.714 54.840 0.275 0.000 0.808 58 L CB -1.471 40.703 42.059 0.191 0.000 0.908 58 L HN 0.619 nan 8.230 nan 0.000 0.442 59 S N -1.345 114.490 115.700 0.224 0.000 2.490 59 S HA -0.320 4.149 4.470 -0.001 0.000 0.291 59 S C 1.739 176.479 174.600 0.233 0.000 1.182 59 S CA 2.257 60.627 58.200 0.283 0.000 1.215 59 S CB -0.653 62.828 63.200 0.468 0.000 1.176 59 S HN 0.288 nan 8.310 nan 0.000 0.440 60 L N 0.201 121.562 121.223 0.229 0.000 1.993 60 L HA 0.084 4.424 4.340 -0.001 0.000 0.206 60 L C 1.907 178.882 176.870 0.175 0.000 1.074 60 L CA 1.856 56.800 54.840 0.173 0.000 0.746 60 L CB -1.291 40.856 42.059 0.147 0.000 0.896 60 L HN 0.416 nan 8.230 nan 0.000 0.435 61 F N 0.413 120.374 119.950 0.018 0.000 2.041 61 F HA -0.395 4.132 4.527 -0.001 0.000 0.296 61 F C 2.584 178.391 175.800 0.011 0.000 1.147 61 F CA 2.192 60.185 58.000 -0.011 0.000 1.214 61 F CB -1.150 37.838 39.000 -0.019 0.000 0.947 61 F HN 0.168 nan 8.300 nan 0.000 0.511 62 S N 0.585 116.205 115.700 -0.132 0.000 2.378 62 S HA -0.197 4.273 4.470 -0.001 0.000 0.221 62 S C 2.333 176.929 174.600 -0.008 0.000 1.037 62 S CA 1.541 59.581 58.200 -0.267 0.000 1.069 62 S CB -1.747 61.396 63.200 -0.095 0.000 1.006 62 S HN 0.744 nan 8.310 nan 0.000 0.423 63 G N 0.803 109.660 108.800 0.095 0.000 2.631 63 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.221 63 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.221 63 G C 1.155 176.206 174.900 0.252 0.000 1.095 63 G CA 1.047 46.267 45.100 0.199 0.000 0.727 63 G HN 0.332 nan 8.290 nan 0.000 0.587 64 L N -0.496 120.780 121.223 0.090 0.000 2.379 64 L HA 0.271 4.610 4.340 -0.001 0.000 0.190 64 L C 2.758 179.677 176.870 0.082 0.000 1.111 64 L CA 1.157 55.975 54.840 -0.036 0.000 0.820 64 L CB -0.712 41.242 42.059 -0.174 0.000 1.046 64 L HN 0.266 nan 8.230 nan 0.000 0.485 65 M N -0.552 119.080 119.600 0.053 0.000 2.758 65 M HA -0.382 4.098 4.480 -0.001 0.000 0.262 65 M C 2.214 178.655 176.300 0.236 0.000 1.052 65 M CA 2.959 58.352 55.300 0.156 0.000 1.059 65 M CB -1.252 31.353 32.600 0.008 0.000 1.265 65 M HN 0.477 nan 8.290 nan 0.000 0.486 66 W N 1.499 122.870 121.300 0.117 0.000 2.269 66 W HA -0.359 4.301 4.660 -0.001 0.000 0.336 66 W C 2.189 178.785 176.519 0.129 0.000 1.333 66 W CA 3.055 60.451 57.345 0.084 0.000 1.299 66 W CB -1.846 27.642 29.460 0.047 0.000 1.126 66 W HN 0.553 nan 8.180 nan 0.000 0.474 67 F N 0.324 119.826 119.950 -0.746 0.000 2.134 67 F HA -0.149 4.377 4.527 -0.001 0.000 0.299 67 F C 2.191 177.788 175.800 -0.339 0.000 1.097 67 F CA 1.948 59.435 58.000 -0.856 0.000 1.264 67 F CB -1.731 36.926 39.000 -0.572 0.000 1.001 67 F HN -0.005 nan 8.300 nan 0.000 0.479 68 F N 1.344 121.556 119.950 0.436 0.000 2.051 68 F HA -0.157 4.369 4.527 -0.001 0.000 0.296 68 F C 2.541 178.417 175.800 0.128 0.000 1.122 68 F CA 2.609 60.791 58.000 0.303 0.000 1.201 68 F CB -1.061 38.021 39.000 0.137 0.000 0.978 68 F HN -0.021 nan 8.300 nan 0.000 0.472 69 T N 2.355 117.035 114.554 0.210 0.000 2.570 69 T HA -0.272 4.078 4.350 -0.001 0.000 0.266 69 T C 2.129 176.907 174.700 0.130 0.000 1.071 69 T CA 1.949 64.138 62.100 0.149 0.000 1.172 69 T CB -0.763 68.272 68.868 0.278 0.000 0.864 69 T HN 0.387 nan 8.240 nan 0.000 0.421 70 I N 1.641 122.249 120.570 0.064 0.000 2.087 70 I HA -0.210 3.960 4.170 -0.001 0.000 0.240 70 I C 2.553 178.791 176.117 0.203 0.000 1.054 70 I CA 2.441 63.813 61.300 0.119 0.000 1.311 70 I CB -1.555 36.423 38.000 -0.037 0.000 1.024 70 I HN 0.400 nan 8.210 nan 0.000 0.402 71 G N 1.616 110.340 108.800 -0.125 0.000 2.503 71 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.221 71 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.221 71 G C 1.660 176.664 174.900 0.172 0.000 1.131 71 G CA 1.034 46.025 45.100 -0.182 0.000 0.756 71 G HN 0.435 nan 8.290 nan 0.000 0.572 72 I N 0.309 120.852 120.570 -0.046 0.000 2.060 72 I HA -0.035 4.134 4.170 -0.001 0.000 0.233 72 I C 2.400 178.587 176.117 0.115 0.000 1.054 72 I CA 0.530 61.753 61.300 -0.128 0.000 1.318 72 I CB -1.303 36.336 38.000 -0.603 0.000 1.054 72 I HN 0.435 nan 8.210 nan 0.000 0.395 73 W N -0.322 121.095 121.300 0.194 0.000 2.662 73 W HA -0.193 4.466 4.660 -0.001 0.000 0.249 73 W C 2.251 178.847 176.519 0.128 0.000 1.251 73 W CA 0.028 57.472 57.345 0.165 0.000 1.277 73 W CB -1.175 28.332 29.460 0.078 0.000 1.140 73 W HN 0.049 nan 8.180 nan 0.000 0.645 74 F N -0.959 119.112 119.950 0.202 0.000 2.171 74 F HA -0.142 4.384 4.527 -0.001 0.000 0.300 74 F C 1.778 177.524 175.800 -0.089 0.000 1.090 74 F CA 1.553 59.564 58.000 0.019 0.000 1.293 74 F CB -0.406 38.543 39.000 -0.084 0.000 1.013 74 F HN -0.155 nan 8.300 nan 0.000 0.486 75 W N -1.801 119.716 121.300 0.363 0.000 2.501 75 W HA -0.140 4.520 4.660 -0.001 0.000 0.309 75 W C 2.380 179.056 176.519 0.261 0.000 1.165 75 W CA 1.388 58.949 57.345 0.360 0.000 1.381 75 W CB -1.460 28.153 29.460 0.255 0.000 1.142 75 W HN -0.007 nan 8.180 nan 0.000 0.509 76 Y N 1.905 122.412 120.300 0.345 0.000 2.133 76 Y HA -0.405 4.144 4.550 -0.001 0.000 0.279 76 Y C 2.145 178.153 175.900 0.180 0.000 1.209 76 Y CA 2.386 60.648 58.100 0.271 0.000 1.152 76 Y CB -1.093 37.559 38.460 0.319 0.000 0.961 76 Y HN 0.084 nan 8.280 nan 0.000 0.512 77 Q N -0.488 119.484 119.800 0.287 0.000 2.124 77 Q HA -0.112 4.227 4.340 -0.001 0.000 0.202 77 Q C 2.533 178.597 176.000 0.106 0.000 0.977 77 Q CA 2.035 57.928 55.803 0.151 0.000 0.850 77 Q CB -0.505 28.278 28.738 0.076 0.000 0.901 77 Q HN 0.578 nan 8.270 nan 0.000 0.429 78 A N -0.820 121.961 122.820 -0.066 0.000 2.016 78 A HA 0.271 4.591 4.320 -0.001 0.000 0.217 78 A C 1.503 179.150 177.584 0.105 0.000 1.162 78 A CA 0.979 52.937 52.037 -0.131 0.000 0.662 78 A CB -0.424 18.371 19.000 -0.342 0.000 0.812 78 A HN 0.469 nan 8.150 nan 0.000 0.450 79 G N -3.405 105.535 108.800 0.233 0.000 2.165 79 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.226 79 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.226 79 G C 0.106 175.217 174.900 0.351 0.000 1.035 79 G CA 0.327 45.586 45.100 0.264 0.000 0.744 79 G HN 1.858 nan 8.290 nan 0.000 0.501 80 W N -0.840 120.632 121.300 0.287 0.000 5.158 80 W HA -0.183 4.477 4.660 -0.001 0.000 0.393 80 W C -0.541 176.174 176.519 0.326 0.000 1.508 80 W CA 0.101 57.660 57.345 0.356 0.000 0.901 80 W CB -1.523 28.000 29.460 0.105 0.000 2.676 80 W HN 1.004 nan 8.180 nan 0.000 1.392 81 N N 1.368 120.086 118.700 0.030 0.000 2.504 81 N HA 0.356 5.096 4.740 -0.001 0.000 0.280 81 N C -1.470 174.031 175.510 -0.015 0.000 1.052 81 N CA -1.474 51.493 53.050 -0.139 0.000 0.887 81 N CB 1.842 40.278 38.487 -0.084 0.000 1.323 81 N HN -0.165 nan 8.380 nan 0.000 0.509 82 P HA -0.231 nan 4.420 nan 0.000 0.212 82 P C 1.005 178.330 177.300 0.041 0.000 0.886 82 P CA 2.720 65.830 63.100 0.016 0.000 1.017 82 P CB 0.046 31.723 31.700 -0.037 0.000 0.686 83 A N -1.154 121.675 122.820 0.016 0.000 1.944 83 A HA -0.306 4.013 4.320 -0.001 0.000 0.222 83 A C 2.291 179.918 177.584 0.072 0.000 1.237 83 A CA 3.101 55.162 52.037 0.040 0.000 0.668 83 A CB -2.093 16.922 19.000 0.025 0.000 0.830 83 A HN 0.109 nan 8.150 nan 0.000 0.471 84 V N -1.306 118.644 119.914 0.061 0.000 2.215 84 V HA -0.311 3.809 4.120 -0.001 0.000 0.246 84 V C 2.173 178.327 176.094 0.099 0.000 1.047 84 V CA 2.444 64.798 62.300 0.091 0.000 0.999 84 V CB -1.262 30.588 31.823 0.045 0.000 0.635 84 V HN 0.638 nan 8.190 nan 0.000 0.450 85 F N 0.112 119.912 119.950 -0.250 0.000 2.082 85 F HA -0.283 4.243 4.527 -0.001 0.000 0.298 85 F C 1.948 177.663 175.800 -0.141 0.000 1.091 85 F CA 2.318 60.004 58.000 -0.524 0.000 1.230 85 F CB -0.255 38.235 39.000 -0.849 0.000 0.983 85 F HN 0.151 nan 8.300 nan 0.000 0.485 86 L N 0.466 121.803 121.223 0.190 0.000 2.591 86 L HA 0.105 4.445 4.340 -0.001 0.000 0.228 86 L C 2.139 179.072 176.870 0.104 0.000 1.133 86 L CA 1.081 56.012 54.840 0.152 0.000 0.880 86 L CB -0.845 41.312 42.059 0.164 0.000 1.033 86 L HN 0.274 nan 8.230 nan 0.000 0.450 87 R N -1.041 119.553 120.500 0.157 0.000 2.046 87 R HA 0.021 4.360 4.340 -0.001 0.000 0.223 87 R C 0.996 177.284 176.300 -0.021 0.000 1.179 87 R CA 1.498 57.654 56.100 0.093 0.000 0.952 87 R CB -0.769 29.625 30.300 0.155 0.000 0.843 87 R HN 0.167 nan 8.270 nan 0.000 0.439 88 D N 1.037 121.535 120.400 0.164 0.000 2.323 88 D HA -0.009 4.630 4.640 -0.001 0.000 0.239 88 D C 1.509 176.879 176.300 -1.550 0.000 1.129 88 D CA 0.078 53.620 54.000 -0.763 0.000 0.865 88 D CB 0.314 40.750 40.800 -0.607 0.000 0.913 88 D HN 0.256 nan 8.370 nan 0.000 0.517 89 L N -0.255 120.965 121.223 -0.004 0.000 1.997 89 L HA -0.275 4.064 4.340 -0.001 0.000 0.216 89 L C 2.012 178.867 176.870 -0.026 0.000 1.074 89 L CA 1.513 56.462 54.840 0.182 0.000 0.763 89 L CB -0.224 41.815 42.059 -0.034 0.000 0.890 89 L HN -0.069 nan 8.230 nan 0.000 0.434 90 F N -0.675 118.951 119.950 -0.539 0.000 2.043 90 F HA -0.298 4.228 4.527 -0.001 0.000 0.297 90 F C 2.190 177.792 175.800 -0.331 0.000 1.121 90 F CA 1.984 59.622 58.000 -0.602 0.000 1.199 90 F CB -0.753 37.450 39.000 -1.328 0.000 0.968 90 F HN 0.028 nan 8.300 nan 0.000 0.478 91 F N -0.853 118.887 119.950 -0.351 0.000 2.192 91 F HA -0.169 4.358 4.527 -0.001 0.000 0.301 91 F C 1.183 176.666 175.800 -0.528 0.000 1.079 91 F CA -0.031 57.702 58.000 -0.446 0.000 1.303 91 F CB -1.988 36.683 39.000 -0.549 0.000 1.024 91 F HN -0.259 nan 8.300 nan 0.000 0.494 92 F N 0.098 120.016 119.950 -0.052 0.000 2.532 92 F HA 0.355 4.881 4.527 -0.001 0.000 0.323 92 F C 0.804 176.350 175.800 -0.423 0.000 1.234 92 F CA -0.180 57.566 58.000 -0.422 0.000 1.323 92 F CB -0.028 38.450 39.000 -0.870 0.000 1.183 92 F HN -0.140 nan 8.300 nan 0.000 0.589 93 S N 0.476 115.996 115.700 -0.301 0.000 2.715 93 S HA 0.391 4.860 4.470 -0.001 0.000 0.290 93 S C -2.111 172.502 174.600 0.020 0.000 1.008 93 S CA -1.045 57.104 58.200 -0.084 0.000 0.850 93 S CB 0.290 63.532 63.200 0.070 0.000 1.059 93 S HN 0.694 nan 8.310 nan 0.000 0.455 94 L N 3.304 124.651 121.223 0.207 0.000 2.262 94 L HA 0.581 4.921 4.340 -0.001 0.000 0.288 94 L C -0.421 176.594 176.870 0.241 0.000 1.035 94 L CA 0.060 55.063 54.840 0.272 0.000 0.820 94 L CB 0.951 43.295 42.059 0.474 0.000 1.204 94 L HN 0.702 nan 8.230 nan 0.000 0.424 95 E N 6.680 126.924 120.200 0.073 0.000 2.175 95 E HA 0.436 4.785 4.350 -0.001 0.000 0.278 95 E C -2.493 173.998 176.600 -0.181 0.000 0.969 95 E CA -1.973 54.385 56.400 -0.070 0.000 0.796 95 E CB 0.905 30.563 29.700 -0.069 0.000 1.104 95 E HN 0.367 nan 8.360 nan 0.000 0.395 96 P HA -0.010 nan 4.420 nan 0.000 0.278 96 P C -2.013 175.081 177.300 -0.344 0.000 1.268 96 P CA -0.825 61.820 63.100 -0.757 0.000 0.813 96 P CB -0.656 30.108 31.700 -1.560 0.000 1.180 97 P HA 0.064 nan 4.420 nan 0.000 0.261 97 P C -0.391 176.851 177.300 -0.096 0.000 1.650 97 P CA 0.482 63.510 63.100 -0.119 0.000 0.846 97 P CB -0.851 30.834 31.700 -0.024 0.000 1.758 98 A N 1.180 123.915 122.820 -0.141 0.000 2.654 98 A HA 0.509 4.828 4.320 -0.001 0.000 0.345 98 A C -1.851 175.693 177.584 -0.067 0.000 1.368 98 A CA -1.689 50.296 52.037 -0.087 0.000 0.895 98 A CB -0.385 18.553 19.000 -0.104 0.000 1.143 98 A HN -0.025 nan 8.150 nan 0.000 0.490 99 P HA -0.220 nan 4.420 nan 0.000 0.019 99 P C -0.328 176.990 177.300 0.029 0.000 0.520 99 P CA 1.123 64.221 63.100 -0.004 0.000 1.030 99 P CB -0.843 30.846 31.700 -0.018 0.000 1.886 100 E N 0.905 121.119 120.200 0.023 0.000 2.463 100 E HA -0.068 4.282 4.350 -0.001 0.000 0.248 100 E C 0.204 176.873 176.600 0.114 0.000 1.106 100 E CA 0.234 56.650 56.400 0.027 0.000 0.946 100 E CB -0.015 29.678 29.700 -0.011 0.000 0.971 100 E HN 0.368 nan 8.360 nan 0.000 0.478 101 Y N 1.742 122.004 120.300 -0.064 0.000 3.264 101 Y HA 0.229 4.778 4.550 -0.001 0.000 0.261 101 Y C -0.010 175.847 175.900 -0.072 0.000 1.006 101 Y CA 0.445 58.510 58.100 -0.057 0.000 1.267 101 Y CB 0.109 38.548 38.460 -0.034 0.000 1.284 101 Y HN 0.770 nan 8.280 nan 0.000 0.661 102 G N 1.423 110.287 108.800 0.107 0.000 2.750 102 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.686 102 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.686 102 G C 0.083 174.886 174.900 -0.161 0.000 1.395 102 G CA -0.385 44.681 45.100 -0.057 0.000 0.918 102 G HN 0.541 nan 8.290 nan 0.000 0.594 103 L N 0.695 121.647 121.223 -0.453 0.000 6.518 103 L HA 0.090 4.430 4.340 -0.001 0.000 0.278 103 L C 1.514 178.124 176.870 -0.433 0.000 1.582 103 L CA 1.651 56.055 54.840 -0.726 0.000 0.678 103 L CB -0.373 41.223 42.059 -0.773 0.000 1.368 103 L HN 0.542 nan 8.230 nan 0.000 0.324 104 S N -0.080 115.450 115.700 -0.283 0.000 2.497 104 S HA 0.209 4.679 4.470 -0.001 0.000 0.176 104 S C 0.931 175.395 174.600 -0.225 0.000 1.445 104 S CA -0.824 57.087 58.200 -0.482 0.000 1.092 104 S CB -0.142 62.968 63.200 -0.151 0.000 1.216 104 S HN 0.431 nan 8.310 nan 0.000 0.486 105 F N 1.859 121.946 119.950 0.229 0.000 2.648 105 F HA -0.323 4.203 4.527 -0.001 0.000 0.306 105 F C 1.523 177.369 175.800 0.078 0.000 1.337 105 F CA 0.605 58.714 58.000 0.182 0.000 1.334 105 F CB -1.873 37.215 39.000 0.147 0.000 0.841 105 F HN 0.502 nan 8.300 nan 0.000 0.622 106 A N 1.366 124.713 122.820 0.878 0.000 1.875 106 A HA 0.195 4.514 4.320 -0.001 0.000 0.247 106 A C 0.581 178.270 177.584 0.176 0.000 1.213 106 A CA 0.775 53.014 52.037 0.336 0.000 0.776 106 A CB -1.919 17.321 19.000 0.400 0.000 1.097 106 A HN 1.601 nan 8.150 nan 0.000 0.325 107 A N 1.952 124.843 122.820 0.118 0.000 2.299 107 A HA 0.900 5.219 4.320 -0.001 0.000 0.332 107 A C -1.616 175.969 177.584 0.001 0.000 1.131 107 A CA -1.351 50.705 52.037 0.032 0.000 0.844 107 A CB 0.626 19.651 19.000 0.041 0.000 1.251 107 A HN 0.613 nan 8.150 nan 0.000 0.486 108 P HA 0.225 nan 4.420 nan 0.000 0.279 108 P C 0.899 178.150 177.300 -0.081 0.000 1.252 108 P CA -0.609 62.463 63.100 -0.048 0.000 0.811 108 P CB 0.738 32.399 31.700 -0.065 0.000 1.035 109 L N 0.590 121.748 121.223 -0.109 0.000 2.005 109 L HA -0.058 4.281 4.340 -0.001 0.000 0.207 109 L C 1.603 178.194 176.870 -0.465 0.000 1.072 109 L CA 2.025 56.725 54.840 -0.233 0.000 0.744 109 L CB -1.902 40.054 42.059 -0.171 0.000 0.895 109 L HN 0.190 nan 8.230 nan 0.000 0.433 110 K N 0.582 120.719 120.400 -0.438 0.000 2.097 110 K HA -0.111 4.208 4.320 -0.001 0.000 0.206 110 K C 1.996 178.432 176.600 -0.273 0.000 1.049 110 K CA 1.181 57.208 56.287 -0.434 0.000 0.933 110 K CB -0.254 32.059 32.500 -0.311 0.000 0.717 110 K HN 0.586 nan 8.250 nan 0.000 0.442 111 E N -0.702 119.391 120.200 -0.179 0.000 2.007 111 E HA -0.058 4.291 4.350 -0.001 0.000 0.204 111 E C 1.641 178.171 176.600 -0.116 0.000 0.933 111 E CA 0.941 57.264 56.400 -0.129 0.000 0.924 111 E CB -0.426 29.216 29.700 -0.096 0.000 0.868 111 E HN 0.158 nan 8.360 nan 0.000 0.535 112 G N 0.025 108.776 108.800 -0.082 0.000 2.887 112 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.189 112 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.189 112 G C 0.998 175.898 174.900 0.001 0.000 1.467 112 G CA 1.522 46.607 45.100 -0.026 0.000 0.818 112 G HN 0.769 nan 8.290 nan 0.000 0.641 113 G N -0.221 108.578 108.800 -0.000 0.000 2.652 113 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.318 113 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.318 113 G C 1.057 175.991 174.900 0.056 0.000 1.295 113 G CA 1.130 46.221 45.100 -0.016 0.000 0.999 113 G HN 1.197 nan 8.290 nan 0.000 0.548 114 L N -1.227 119.990 121.223 -0.010 0.000 2.434 114 L HA -0.284 4.056 4.340 -0.001 0.000 0.244 114 L C 2.396 179.413 176.870 0.245 0.000 1.169 114 L CA 3.388 58.351 54.840 0.206 0.000 0.804 114 L CB -1.895 40.130 42.059 -0.057 0.000 1.020 114 L HN 0.844 nan 8.230 nan 0.000 0.414 115 W N -0.216 121.149 121.300 0.109 0.000 2.284 115 W HA -0.313 4.347 4.660 -0.001 0.000 0.337 115 W C 2.801 179.345 176.519 0.042 0.000 1.322 115 W CA 2.494 59.929 57.345 0.151 0.000 1.245 115 W CB -0.612 28.862 29.460 0.023 0.000 1.141 115 W HN 0.174 nan 8.180 nan 0.000 0.465 116 L N -0.079 121.344 121.223 0.332 0.000 2.197 116 L HA -0.300 4.039 4.340 -0.001 0.000 0.215 116 L C 2.124 178.904 176.870 -0.151 0.000 1.095 116 L CA 1.149 55.961 54.840 -0.047 0.000 0.764 116 L CB -0.722 41.347 42.059 0.017 0.000 0.897 116 L HN 0.181 nan 8.230 nan 0.000 0.436 117 I N -0.705 119.855 120.570 -0.017 0.000 2.404 117 I HA -0.123 4.047 4.170 -0.001 0.000 0.231 117 I C 2.693 178.849 176.117 0.065 0.000 1.064 117 I CA 1.450 62.770 61.300 0.034 0.000 1.383 117 I CB -1.550 36.557 38.000 0.178 0.000 1.171 117 I HN 0.125 nan 8.210 nan 0.000 0.422 118 A N 1.015 123.932 122.820 0.161 0.000 1.849 118 A HA -0.332 3.988 4.320 -0.001 0.000 0.216 118 A C 2.566 180.267 177.584 0.194 0.000 1.225 118 A CA 3.716 55.899 52.037 0.243 0.000 0.653 118 A CB -1.541 17.593 19.000 0.223 0.000 0.844 118 A HN 0.581 nan 8.150 nan 0.000 0.453 119 S N -1.074 114.620 115.700 -0.009 0.000 2.422 119 S HA -0.302 4.168 4.470 -0.001 0.000 0.248 119 S C 1.763 176.406 174.600 0.072 0.000 1.069 119 S CA 2.371 60.514 58.200 -0.094 0.000 1.214 119 S CB -0.936 61.486 63.200 -1.298 0.000 1.122 119 S HN 0.670 nan 8.310 nan 0.000 0.432 120 F N 0.961 120.674 119.950 -0.395 0.000 2.346 120 F HA 0.078 4.604 4.527 -0.001 0.000 0.301 120 F C 1.752 177.697 175.800 0.242 0.000 1.070 120 F CA 0.047 57.977 58.000 -0.116 0.000 1.407 120 F CB -0.811 37.889 39.000 -0.499 0.000 1.072 120 F HN 0.241 nan 8.300 nan 0.000 0.543 121 F N -0.204 119.895 119.950 0.248 0.000 2.147 121 F HA -0.095 4.431 4.527 -0.001 0.000 0.291 121 F C 2.574 178.509 175.800 0.226 0.000 1.093 121 F CA 1.123 59.226 58.000 0.172 0.000 1.263 121 F CB -1.333 37.725 39.000 0.097 0.000 1.036 121 F HN -0.029 nan 8.300 nan 0.000 0.481 122 M N -0.495 119.369 119.600 0.440 0.000 2.596 122 M HA -0.319 4.160 4.480 -0.001 0.000 0.254 122 M C 1.907 178.472 176.300 0.442 0.000 1.088 122 M CA 1.398 56.821 55.300 0.205 0.000 1.027 122 M CB -0.892 31.553 32.600 -0.258 0.000 1.368 122 M HN 0.140 nan 8.290 nan 0.000 0.476 123 F N 1.003 121.312 119.950 0.599 0.000 2.063 123 F HA -0.235 4.291 4.527 -0.001 0.000 0.298 123 F C 1.937 178.084 175.800 0.578 0.000 1.109 123 F CA 2.204 60.629 58.000 0.709 0.000 1.212 123 F CB -1.131 38.145 39.000 0.461 0.000 0.973 123 F HN 0.029 nan 8.300 nan 0.000 0.480 124 V N 0.610 120.692 119.914 0.279 0.000 2.233 124 V HA -0.330 3.789 4.120 -0.001 0.000 0.247 124 V C 2.700 178.834 176.094 0.067 0.000 1.050 124 V CA 1.987 64.325 62.300 0.063 0.000 1.010 124 V CB -1.750 30.014 31.823 -0.099 0.000 0.637 124 V HN 0.542 nan 8.190 nan 0.000 0.444 125 A N 0.378 123.219 122.820 0.034 0.000 1.885 125 A HA -0.265 4.055 4.320 -0.001 0.000 0.215 125 A C 2.304 179.903 177.584 0.024 0.000 1.255 125 A CA 3.371 55.431 52.037 0.039 0.000 0.692 125 A CB -1.318 17.658 19.000 -0.040 0.000 0.842 125 A HN 0.423 nan 8.150 nan 0.000 0.465 126 V N -2.109 117.658 119.914 -0.245 0.000 2.265 126 V HA -0.442 3.678 4.120 -0.001 0.000 0.260 126 V C 2.220 178.232 176.094 -0.137 0.000 1.084 126 V CA 2.769 64.807 62.300 -0.436 0.000 1.086 126 V CB -1.896 29.172 31.823 -1.259 0.000 0.704 126 V HN 0.747 nan 8.190 nan 0.000 0.457 127 W N 0.989 122.229 121.300 -0.101 0.000 2.302 127 W HA -0.256 4.404 4.660 -0.001 0.000 0.320 127 W C 3.076 179.727 176.519 0.221 0.000 1.241 127 W CA 2.656 59.974 57.345 -0.044 0.000 1.264 127 W CB -0.545 28.684 29.460 -0.384 0.000 1.154 127 W HN 0.504 nan 8.180 nan 0.000 0.483 128 S N -0.596 115.351 115.700 0.412 0.000 2.331 128 S HA -0.289 4.180 4.470 -0.001 0.000 0.208 128 S C 1.641 176.450 174.600 0.348 0.000 1.032 128 S CA 0.967 59.369 58.200 0.338 0.000 0.991 128 S CB -1.742 61.595 63.200 0.228 0.000 0.980 128 S HN 0.450 nan 8.310 nan 0.000 0.433 129 W N 2.536 123.908 121.300 0.119 0.000 2.264 129 W HA -0.246 4.414 4.660 -0.001 0.000 0.293 129 W C 2.059 178.619 176.519 0.068 0.000 1.225 129 W CA 1.835 59.211 57.345 0.052 0.000 1.220 129 W CB -1.051 28.423 29.460 0.024 0.000 1.134 129 W HN 0.672 nan 8.180 nan 0.000 0.544 130 W N 1.567 123.085 121.300 0.364 0.000 2.332 130 W HA -0.207 4.453 4.660 -0.001 0.000 0.321 130 W C 2.181 178.807 176.519 0.180 0.000 1.219 130 W CA 2.647 60.190 57.345 0.331 0.000 1.277 130 W CB -1.341 28.341 29.460 0.370 0.000 1.161 130 W HN -0.035 nan 8.180 nan 0.000 0.476 131 G N 1.305 110.098 108.800 -0.012 0.000 2.574 131 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.220 131 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.220 131 G C 1.715 176.484 174.900 -0.219 0.000 1.173 131 G CA 1.758 46.802 45.100 -0.093 0.000 0.772 131 G HN 0.328 nan 8.290 nan 0.000 0.585 132 R N -0.153 120.200 120.500 -0.244 0.000 2.179 132 R HA -0.183 4.156 4.340 -0.001 0.000 0.238 132 R C 2.954 178.968 176.300 -0.477 0.000 1.119 132 R CA 2.484 58.317 56.100 -0.445 0.000 0.915 132 R CB -1.227 28.613 30.300 -0.765 0.000 0.870 132 R HN 0.504 nan 8.270 nan 0.000 0.432 133 T N -0.506 113.728 114.554 -0.533 0.000 2.969 133 T HA -0.210 4.140 4.350 -0.001 0.000 0.271 133 T C 1.456 175.859 174.700 -0.496 0.000 1.127 133 T CA 1.149 62.947 62.100 -0.504 0.000 1.102 133 T CB -0.414 68.136 68.868 -0.531 0.000 0.855 133 T HN 0.257 nan 8.240 nan 0.000 0.536 134 Y N 2.371 122.349 120.300 -0.537 0.000 2.109 134 Y HA 0.026 4.575 4.550 -0.001 0.000 0.285 134 Y C 1.915 177.620 175.900 -0.325 0.000 1.131 134 Y CA 0.757 58.571 58.100 -0.477 0.000 1.121 134 Y CB -0.542 37.625 38.460 -0.488 0.000 0.987 134 Y HN 0.189 nan 8.280 nan 0.000 0.495 135 L N -1.461 119.738 121.223 -0.040 0.000 2.357 135 L HA 0.148 4.487 4.340 -0.001 0.000 0.211 135 L C 2.030 178.765 176.870 -0.224 0.000 1.075 135 L CA 0.678 55.451 54.840 -0.112 0.000 0.830 135 L CB -1.152 40.828 42.059 -0.132 0.000 0.996 135 L HN -0.217 nan 8.230 nan 0.000 0.467 136 R N 1.267 121.564 120.500 -0.338 0.000 2.185 136 R HA -0.105 4.235 4.340 -0.001 0.000 0.247 136 R C 2.267 178.400 176.300 -0.278 0.000 1.159 136 R CA 1.356 57.212 56.100 -0.407 0.000 0.988 136 R CB -1.195 28.834 30.300 -0.451 0.000 0.871 136 R HN 0.472 nan 8.270 nan 0.000 0.458 137 A N 0.162 122.846 122.820 -0.228 0.000 1.832 137 A HA -0.221 4.098 4.320 -0.001 0.000 0.214 137 A C 1.910 179.415 177.584 -0.133 0.000 1.200 137 A CA 1.356 53.286 52.037 -0.179 0.000 0.610 137 A CB -0.632 18.270 19.000 -0.163 0.000 0.842 137 A HN 0.365 nan 8.150 nan 0.000 0.444 138 Q N -1.012 118.730 119.800 -0.096 0.000 1.817 138 Q HA -0.328 4.011 4.340 -0.001 0.000 0.290 138 Q C 2.228 178.176 176.000 -0.087 0.000 1.048 138 Q CA 2.140 57.899 55.803 -0.073 0.000 0.889 138 Q CB -0.615 28.077 28.738 -0.075 0.000 0.991 138 Q HN 0.691 nan 8.270 nan 0.000 0.416 139 A N 0.139 122.899 122.820 -0.101 0.000 1.883 139 A HA -0.339 3.981 4.320 -0.001 0.000 0.269 139 A C 1.844 179.384 177.584 -0.074 0.000 2.559 139 A CA 2.832 54.820 52.037 -0.083 0.000 0.908 139 A CB -1.565 17.366 19.000 -0.116 0.000 0.807 139 A HN 0.460 nan 8.150 nan 0.000 0.505 140 L N -0.561 120.606 121.223 -0.094 0.000 2.187 140 L HA 0.109 4.448 4.340 -0.001 0.000 0.213 140 L C 1.985 178.806 176.870 -0.082 0.000 1.100 140 L CA 1.559 56.346 54.840 -0.089 0.000 0.765 140 L CB -1.482 40.510 42.059 -0.111 0.000 0.904 140 L HN 1.256 nan 8.230 nan 0.000 0.437 141 G N -0.894 107.857 108.800 -0.082 0.000 2.298 141 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.287 141 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.287 141 G C 0.488 175.339 174.900 -0.083 0.000 1.075 141 G CA 0.347 45.407 45.100 -0.067 0.000 0.960 141 G HN 0.136 nan 8.290 nan 0.000 0.502 142 M N -0.102 119.431 119.600 -0.111 0.000 1.801 142 M HA 0.446 4.925 4.480 -0.001 0.000 0.211 142 M C 1.686 177.901 176.300 -0.142 0.000 1.304 142 M CA 0.537 55.746 55.300 -0.153 0.000 0.912 142 M CB -0.927 31.558 32.600 -0.190 0.000 1.257 142 M HN 0.330 nan 8.290 nan 0.000 0.458 143 G N 0.498 109.166 108.800 -0.219 0.000 2.494 143 G HA2 0.366 4.326 3.960 -0.001 0.000 0.270 143 G HA3 0.366 4.326 3.960 -0.001 0.000 0.270 143 G C -0.529 174.280 174.900 -0.151 0.000 1.423 143 G CA -0.384 44.613 45.100 -0.172 0.000 1.055 143 G HN 0.666 nan 8.290 nan 0.000 0.536 144 K N -1.130 119.257 120.400 -0.021 0.000 3.237 144 K HA 0.403 4.723 4.320 -0.001 0.000 0.197 144 K C 0.133 176.765 176.600 0.054 0.000 1.133 144 K CA -0.520 55.739 56.287 -0.047 0.000 0.944 144 K CB 0.468 32.953 32.500 -0.025 0.000 0.952 144 K HN 0.324 nan 8.250 nan 0.000 0.515 145 H N 0.001 118.880 119.070 -0.319 0.000 2.415 145 H HA 0.043 4.598 4.556 -0.001 0.000 0.297 145 H C 0.887 175.961 175.328 -0.423 0.000 1.048 145 H CA 1.378 57.079 56.048 -0.579 0.000 1.365 145 H CB 0.143 29.482 29.762 -0.706 0.000 1.421 145 H HN 0.358 nan 8.280 nan 0.000 0.533 146 T N 0.121 114.572 114.554 -0.171 0.000 2.942 146 T HA 0.045 4.394 4.350 -0.001 0.000 0.265 146 T C 2.319 176.967 174.700 -0.087 0.000 1.062 146 T CA 0.808 62.817 62.100 -0.151 0.000 1.139 146 T CB -0.272 68.454 68.868 -0.236 0.000 0.883 146 T HN 0.396 nan 8.240 nan 0.000 0.468 147 A N 1.679 124.349 122.820 -0.250 0.000 1.908 147 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 147 A C 2.071 179.889 177.584 0.389 0.000 1.181 147 A CA 1.836 53.681 52.037 -0.320 0.000 0.627 147 A CB -1.066 17.429 19.000 -0.842 0.000 0.818 147 A HN 0.753 nan 8.150 nan 0.000 0.445 148 W N 0.892 122.238 121.300 0.076 0.000 2.381 148 W HA 0.127 4.786 4.660 -0.001 0.000 0.321 148 W C 1.600 178.181 176.519 0.103 0.000 1.196 148 W CA 1.185 58.574 57.345 0.074 0.000 1.304 148 W CB -1.084 28.342 29.460 -0.058 0.000 1.166 148 W HN 0.342 nan 8.180 nan 0.000 0.473 149 A N -0.010 122.943 122.820 0.221 0.000 2.358 149 A HA 0.200 4.520 4.320 -0.001 0.000 0.232 149 A C 0.635 178.426 177.584 0.345 0.000 1.498 149 A CA 0.861 52.995 52.037 0.162 0.000 1.400 149 A CB -1.573 17.387 19.000 -0.066 0.000 0.852 149 A HN 0.501 nan 8.150 nan 0.000 0.605 150 F N -1.883 118.181 119.950 0.190 0.000 2.360 150 F HA 0.207 4.733 4.527 -0.001 0.000 0.295 150 F C 1.226 177.122 175.800 0.159 0.000 0.844 150 F CA 0.122 58.238 58.000 0.193 0.000 1.072 150 F CB -0.042 39.134 39.000 0.293 0.000 1.005 150 F HN 0.124 nan 8.300 nan 0.000 0.727 151 L N -0.062 121.260 121.223 0.165 0.000 2.450 151 L HA -0.143 4.196 4.340 -0.001 0.000 0.224 151 L C 2.198 179.039 176.870 -0.048 0.000 1.149 151 L CA 0.916 55.707 54.840 -0.082 0.000 0.816 151 L CB -0.815 41.188 42.059 -0.092 0.000 0.932 151 L HN 0.119 nan 8.230 nan 0.000 0.449 152 S N 0.243 115.964 115.700 0.034 0.000 2.462 152 S HA -0.271 4.198 4.470 -0.001 0.000 0.219 152 S C 2.241 176.872 174.600 0.051 0.000 1.048 152 S CA 1.444 59.708 58.200 0.107 0.000 1.119 152 S CB -0.474 62.807 63.200 0.136 0.000 1.100 152 S HN 0.521 nan 8.310 nan 0.000 0.411 153 A N 1.055 123.832 122.820 -0.072 0.000 2.082 153 A HA -0.204 4.116 4.320 -0.001 0.000 0.224 153 A C 1.828 179.282 177.584 -0.216 0.000 1.179 153 A CA 1.761 53.681 52.037 -0.195 0.000 0.670 153 A CB -0.775 17.973 19.000 -0.420 0.000 0.817 153 A HN 0.477 nan 8.150 nan 0.000 0.475 154 I N -3.140 117.290 120.570 -0.234 0.000 2.810 154 I HA -0.070 4.099 4.170 -0.001 0.000 0.262 154 I C 2.102 178.370 176.117 0.251 0.000 1.131 154 I CA -0.158 61.099 61.300 -0.072 0.000 1.453 154 I CB -1.649 36.075 38.000 -0.461 0.000 1.161 154 I HN 0.742 nan 8.210 nan 0.000 0.444 155 W N 2.273 123.564 121.300 -0.016 0.000 2.121 155 W HA -0.374 4.285 4.660 -0.001 0.000 0.321 155 W C 2.506 179.045 176.519 0.034 0.000 1.220 155 W CA 1.640 58.994 57.345 0.015 0.000 1.078 155 W CB -0.672 28.788 29.460 0.001 0.000 1.111 155 W HN 0.072 nan 8.180 nan 0.000 0.489 156 L N 0.526 121.857 121.223 0.181 0.000 2.270 156 L HA -0.240 4.099 4.340 -0.001 0.000 0.217 156 L C 2.067 178.974 176.870 0.062 0.000 1.107 156 L CA 2.241 57.052 54.840 -0.048 0.000 0.772 156 L CB -0.660 41.363 42.059 -0.060 0.000 0.902 156 L HN 0.463 nan 8.230 nan 0.000 0.439 157 W N -0.007 121.286 121.300 -0.011 0.000 2.476 157 W HA -0.150 4.510 4.660 -0.001 0.000 0.319 157 W C 2.350 178.946 176.519 0.128 0.000 1.132 157 W CA 1.088 58.437 57.345 0.007 0.000 1.325 157 W CB -0.580 28.832 29.460 -0.080 0.000 1.215 157 W HN -0.037 nan 8.180 nan 0.000 0.460 158 M N 0.956 120.444 119.600 -0.187 0.000 2.168 158 M HA -0.286 4.193 4.480 -0.001 0.000 0.248 158 M C 1.534 177.794 176.300 -0.066 0.000 1.086 158 M CA 2.076 57.210 55.300 -0.277 0.000 1.070 158 M CB -1.966 30.718 32.600 0.141 0.000 1.332 158 M HN 0.074 nan 8.290 nan 0.000 0.399 159 V N -0.472 119.419 119.914 -0.038 0.000 2.275 159 V HA -0.237 3.883 4.120 -0.001 0.000 0.215 159 V C 2.231 178.271 176.094 -0.091 0.000 1.008 159 V CA 1.119 63.358 62.300 -0.101 0.000 1.036 159 V CB -1.069 30.564 31.823 -0.317 0.000 0.663 159 V HN 0.299 nan 8.190 nan 0.000 0.468 160 L N 0.810 121.950 121.223 -0.138 0.000 2.386 160 L HA -0.302 4.037 4.340 -0.001 0.000 0.221 160 L C 1.781 178.574 176.870 -0.128 0.000 1.094 160 L CA 2.637 57.393 54.840 -0.140 0.000 0.825 160 L CB -1.393 40.582 42.059 -0.139 0.000 0.895 160 L HN 0.663 nan 8.230 nan 0.000 0.449 161 G N -5.419 103.317 108.800 -0.107 0.000 2.989 161 G HA2 0.143 4.102 3.960 -0.001 0.000 0.221 161 G HA3 0.143 4.102 3.960 -0.001 0.000 0.221 161 G C 0.822 175.611 174.900 -0.184 0.000 1.050 161 G CA 0.207 45.221 45.100 -0.143 0.000 0.913 161 G HN 0.309 nan 8.290 nan 0.000 0.587 162 F N 0.193 120.093 119.950 -0.083 0.000 2.294 162 F HA 0.407 4.934 4.527 -0.001 0.000 0.241 162 F C 2.228 178.040 175.800 0.020 0.000 1.009 162 F CA -0.360 57.645 58.000 0.009 0.000 1.165 162 F CB -0.585 38.361 39.000 -0.090 0.000 1.445 162 F HN -0.204 nan 8.300 nan 0.000 0.632 163 I N 1.209 121.890 120.570 0.184 0.000 2.224 163 I HA -0.394 3.775 4.170 -0.001 0.000 0.223 163 I C 2.473 178.611 176.117 0.036 0.000 0.979 163 I CA 1.805 63.165 61.300 0.100 0.000 1.295 163 I CB -1.365 36.687 38.000 0.086 0.000 1.002 163 I HN 0.219 nan 8.210 nan 0.000 0.381 164 R N 1.258 121.763 120.500 0.009 0.000 2.273 164 R HA -0.237 4.102 4.340 -0.001 0.000 0.229 164 R C -0.607 175.674 176.300 -0.032 0.000 1.104 164 R CA 3.329 59.427 56.100 -0.004 0.000 0.870 164 R CB -1.762 28.549 30.300 0.018 0.000 0.894 164 R HN 0.223 nan 8.270 nan 0.000 0.421 165 P HA -0.164 nan 4.420 nan 0.000 0.221 165 P C 0.785 177.908 177.300 -0.294 0.000 1.141 165 P CA 1.333 64.373 63.100 -0.100 0.000 0.794 165 P CB -0.061 31.637 31.700 -0.004 0.000 0.764 166 I N -1.972 118.441 120.570 -0.261 0.000 3.251 166 I HA -0.084 4.085 4.170 -0.001 0.000 0.277 166 I C 1.797 177.793 176.117 -0.201 0.000 1.268 166 I CA 0.847 61.951 61.300 -0.327 0.000 1.449 166 I CB -0.101 37.789 38.000 -0.183 0.000 1.083 166 I HN 0.021 nan 8.210 nan 0.000 0.464 167 L N -0.036 121.108 121.223 -0.132 0.000 2.298 167 L HA 0.016 4.356 4.340 -0.001 0.000 0.209 167 L C 1.911 178.727 176.870 -0.090 0.000 1.084 167 L CA 0.490 55.279 54.840 -0.084 0.000 0.816 167 L CB -0.027 42.009 42.059 -0.039 0.000 0.967 167 L HN 0.211 nan 8.230 nan 0.000 0.460 168 M N -0.261 119.276 119.600 -0.105 0.000 2.505 168 M HA 0.282 4.762 4.480 -0.001 0.000 0.230 168 M C 1.041 177.250 176.300 -0.152 0.000 1.153 168 M CA 0.269 55.508 55.300 -0.102 0.000 0.997 168 M CB -1.076 31.480 32.600 -0.072 0.000 1.606 168 M HN 0.201 nan 8.290 nan 0.000 0.481 169 G N 2.677 111.353 108.800 -0.206 0.000 2.395 169 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.292 169 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.292 169 G C -0.074 174.643 174.900 -0.306 0.000 0.953 169 G CA 0.821 45.759 45.100 -0.270 0.000 1.207 169 G HN 0.706 nan 8.290 nan 0.000 0.503 170 S N -1.078 114.381 115.700 -0.401 0.000 2.388 170 S HA 0.297 4.766 4.470 -0.001 0.000 0.279 170 S C 0.605 175.011 174.600 -0.324 0.000 0.987 170 S CA 0.179 58.184 58.200 -0.325 0.000 0.993 170 S CB -0.154 62.945 63.200 -0.168 0.000 1.207 170 S HN 0.507 nan 8.310 nan 0.000 0.425 171 W N 2.814 124.006 121.300 -0.180 0.000 2.465 171 W HA 0.036 4.695 4.660 -0.001 0.000 0.268 171 W C 2.449 178.754 176.519 -0.356 0.000 1.242 171 W CA 0.699 57.866 57.345 -0.297 0.000 1.248 171 W CB -0.307 28.917 29.460 -0.394 0.000 1.118 171 W HN 0.690 nan 8.180 nan 0.000 0.587 172 S N 0.454 116.111 115.700 -0.072 0.000 2.464 172 S HA -0.236 4.233 4.470 -0.001 0.000 0.255 172 S C 1.528 176.101 174.600 -0.044 0.000 1.027 172 S CA 1.590 59.739 58.200 -0.084 0.000 0.994 172 S CB -0.270 62.895 63.200 -0.059 0.000 0.769 172 S HN 0.318 nan 8.310 nan 0.000 0.502 173 E N -0.201 119.985 120.200 -0.023 0.000 2.460 173 E HA 0.279 4.629 4.350 -0.001 0.000 0.200 173 E C 0.730 177.416 176.600 0.144 0.000 1.011 173 E CA 0.131 56.584 56.400 0.088 0.000 0.912 173 E CB 0.197 29.932 29.700 0.058 0.000 0.953 173 E HN 0.496 nan 8.360 nan 0.000 0.494 174 A N 1.341 124.138 122.820 -0.038 0.000 2.346 174 A HA 0.313 4.632 4.320 -0.001 0.000 0.252 174 A C 0.559 177.963 177.584 -0.299 0.000 1.089 174 A CA -0.347 51.618 52.037 -0.120 0.000 0.797 174 A CB 0.517 19.461 19.000 -0.092 0.000 1.047 174 A HN -0.045 nan 8.150 nan 0.000 0.494 175 V N 1.971 121.555 119.914 -0.550 0.000 2.785 175 V HA 0.416 4.535 4.120 -0.001 0.000 0.300 175 V C -1.975 173.780 176.094 -0.565 0.000 1.062 175 V CA -0.932 60.708 62.300 -1.099 0.000 1.029 175 V CB 1.067 32.078 31.823 -1.353 0.000 1.024 175 V HN 0.894 nan 8.190 nan 0.000 0.477 176 P HA 0.438 nan 4.420 nan 0.000 0.289 176 P C -1.831 175.437 177.300 -0.053 0.000 1.293 176 P CA -0.862 62.106 63.100 -0.221 0.000 0.897 176 P CB 0.973 32.634 31.700 -0.064 0.000 1.166 177 Y N 0.379 120.847 120.300 0.280 0.000 2.454 177 Y HA 0.658 5.207 4.550 -0.001 0.000 0.345 177 Y C 1.259 177.297 175.900 0.229 0.000 0.970 177 Y CA 0.167 58.435 58.100 0.279 0.000 1.204 177 Y CB 0.700 39.380 38.460 0.366 0.000 1.122 177 Y HN 0.637 nan 8.280 nan 0.000 0.514 178 G N 1.444 110.467 108.800 0.372 0.000 2.519 178 G HA2 0.343 4.303 3.960 -0.001 0.000 0.292 178 G HA3 0.343 4.303 3.960 -0.001 0.000 0.292 178 G C -0.061 175.017 174.900 0.297 0.000 1.507 178 G CA -0.869 44.413 45.100 0.303 0.000 0.806 178 G HN 0.458 nan 8.290 nan 0.000 0.523 179 I N 0.084 120.801 120.570 0.245 0.000 2.060 179 I HA 0.005 4.174 4.170 -0.001 0.000 0.233 179 I C 1.968 178.524 176.117 0.731 0.000 1.054 179 I CA 1.074 62.546 61.300 0.286 0.000 1.318 179 I CB -0.335 37.548 38.000 -0.195 0.000 1.054 179 I HN 0.322 nan 8.210 nan 0.000 0.395 180 F N 0.934 121.167 119.950 0.473 0.000 2.802 180 F HA 0.008 4.535 4.527 -0.001 0.000 0.302 180 F C 2.413 178.390 175.800 0.294 0.000 1.211 180 F CA 0.429 58.669 58.000 0.400 0.000 1.431 180 F CB -1.184 38.063 39.000 0.411 0.000 1.114 180 F HN 0.116 nan 8.300 nan 0.000 0.567 181 S N -0.801 115.186 115.700 0.479 0.000 2.517 181 S HA -0.093 4.376 4.470 -0.001 0.000 0.228 181 S C 2.324 177.140 174.600 0.361 0.000 1.060 181 S CA 0.508 58.911 58.200 0.339 0.000 0.937 181 S CB -0.476 62.886 63.200 0.270 0.000 0.840 181 S HN 0.539 nan 8.310 nan 0.000 0.546 182 H N 1.450 120.665 119.070 0.241 0.000 2.421 182 H HA 0.024 4.580 4.556 -0.001 0.000 0.298 182 H C 1.924 177.420 175.328 0.281 0.000 1.087 182 H CA 1.336 57.498 56.048 0.190 0.000 1.330 182 H CB -0.764 29.060 29.762 0.103 0.000 1.388 182 H HN 0.345 nan 8.280 nan 0.000 0.526 183 L N 1.547 122.763 121.223 -0.012 0.000 1.955 183 L HA -0.187 4.153 4.340 -0.001 0.000 0.213 183 L C 2.575 179.482 176.870 0.062 0.000 1.072 183 L CA 2.192 56.985 54.840 -0.078 0.000 0.755 183 L CB -0.805 41.256 42.059 0.003 0.000 0.888 183 L HN 0.188 nan 8.230 nan 0.000 0.432 184 D N -1.436 119.036 120.400 0.120 0.000 2.104 184 D HA -0.280 4.360 4.640 -0.001 0.000 0.194 184 D C 1.885 178.277 176.300 0.153 0.000 0.994 184 D CA 1.182 55.246 54.000 0.106 0.000 0.830 184 D CB -0.378 40.481 40.800 0.098 0.000 0.959 184 D HN 0.520 nan 8.370 nan 0.000 0.452 185 W N 1.534 122.853 121.300 0.032 0.000 2.504 185 W HA -0.185 4.475 4.660 -0.001 0.000 0.257 185 W C 1.396 177.954 176.519 0.066 0.000 1.225 185 W CA 1.210 58.584 57.345 0.049 0.000 1.205 185 W CB 0.058 29.550 29.460 0.053 0.000 1.137 185 W HN -0.146 nan 8.180 nan 0.000 0.612 186 T N 0.415 115.156 114.554 0.311 0.000 2.673 186 T HA -0.214 4.136 4.350 -0.001 0.000 0.248 186 T C 1.603 176.215 174.700 -0.147 0.000 1.080 186 T CA 1.606 63.755 62.100 0.081 0.000 1.203 186 T CB -0.874 68.098 68.868 0.174 0.000 0.893 186 T HN 0.522 nan 8.240 nan 0.000 0.404 187 N N 1.604 120.264 118.700 -0.065 0.000 2.094 187 N HA -0.253 4.487 4.740 -0.001 0.000 0.191 187 N C 1.842 177.280 175.510 -0.119 0.000 1.023 187 N CA 1.602 54.607 53.050 -0.075 0.000 0.857 187 N CB -0.411 38.042 38.487 -0.056 0.000 1.013 187 N HN 0.173 nan 8.380 nan 0.000 0.426 188 N N 0.389 119.000 118.700 -0.148 0.000 2.073 188 N HA -0.268 4.471 4.740 -0.001 0.000 0.199 188 N C 1.261 176.611 175.510 -0.267 0.000 1.023 188 N CA 1.559 54.491 53.050 -0.197 0.000 0.880 188 N CB -0.624 37.729 38.487 -0.223 0.000 1.052 188 N HN 0.384 nan 8.380 nan 0.000 0.449 189 F N 0.331 119.957 119.950 -0.540 0.000 2.373 189 F HA -0.113 4.413 4.527 -0.001 0.000 0.300 189 F C 2.497 178.166 175.800 -0.218 0.000 1.080 189 F CA 1.301 58.973 58.000 -0.546 0.000 1.417 189 F CB -0.452 37.905 39.000 -1.072 0.000 1.070 189 F HN 0.118 nan 8.300 nan 0.000 0.546 190 S N -0.182 115.480 115.700 -0.063 0.000 2.303 190 S HA -0.094 4.376 4.470 -0.001 0.000 0.207 190 S C 1.983 176.544 174.600 -0.065 0.000 1.025 190 S CA 0.852 59.032 58.200 -0.034 0.000 0.953 190 S CB -0.717 62.441 63.200 -0.070 0.000 0.932 190 S HN 0.127 nan 8.310 nan 0.000 0.472 191 L N 1.907 123.074 121.223 -0.093 0.000 2.198 191 L HA -0.120 4.220 4.340 -0.001 0.000 0.218 191 L C 2.410 179.192 176.870 -0.146 0.000 1.084 191 L CA 1.401 56.177 54.840 -0.106 0.000 0.779 191 L CB -1.332 40.663 42.059 -0.106 0.000 0.890 191 L HN 0.326 nan 8.230 nan 0.000 0.439 192 V N -1.917 117.883 119.914 -0.190 0.000 3.354 192 V HA -0.086 4.033 4.120 -0.001 0.000 0.258 192 V C 1.903 177.607 176.094 -0.650 0.000 1.159 192 V CA 0.718 62.825 62.300 -0.322 0.000 1.125 192 V CB -0.516 31.137 31.823 -0.285 0.000 0.774 192 V HN 0.520 nan 8.190 nan 0.000 0.464 193 H N 0.259 119.197 119.070 -0.220 0.000 2.586 193 H HA 0.386 4.941 4.556 -0.001 0.000 0.273 193 H C 1.247 176.626 175.328 0.085 0.000 0.997 193 H CA 0.860 56.860 56.048 -0.079 0.000 1.177 193 H CB 0.716 30.458 29.762 -0.033 0.000 1.471 193 H HN 0.442 nan 8.280 nan 0.000 0.538 194 G N 2.529 111.331 108.800 0.003 0.000 3.391 194 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.683 194 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.683 194 G C -0.296 174.698 174.900 0.158 0.000 1.071 194 G CA -0.186 44.960 45.100 0.076 0.000 0.904 194 G HN 0.586 nan 8.290 nan 0.000 0.452 195 N N 0.499 119.223 118.700 0.041 0.000 1.417 195 N HA -0.042 4.698 4.740 -0.001 0.000 0.375 195 N C 1.163 176.599 175.510 -0.124 0.000 1.210 195 N CA 0.993 53.999 53.050 -0.073 0.000 0.781 195 N CB 0.202 38.599 38.487 -0.151 0.000 0.996 195 N HN 1.272 nan 8.380 nan 0.000 0.535 196 L N 4.407 125.539 121.223 -0.151 0.000 2.592 196 L HA 0.350 4.689 4.340 -0.001 0.000 0.227 196 L C 0.916 177.513 176.870 -0.455 0.000 1.127 196 L CA 0.598 55.327 54.840 -0.185 0.000 0.884 196 L CB -0.403 41.603 42.059 -0.088 0.000 1.065 196 L HN 0.680 nan 8.230 nan 0.000 0.457 197 F N -1.040 118.581 119.950 -0.550 0.000 2.293 197 F HA -0.162 4.365 4.527 -0.001 0.000 0.300 197 F C 1.413 177.066 175.800 -0.244 0.000 1.086 197 F CA 1.176 58.882 58.000 -0.490 0.000 1.375 197 F CB -0.388 38.364 39.000 -0.413 0.000 1.045 197 F HN 0.157 nan 8.300 nan 0.000 0.516 198 Y N -0.562 119.828 120.300 0.150 0.000 2.688 198 Y HA -0.096 4.453 4.550 -0.001 0.000 0.311 198 Y C 1.093 177.053 175.900 0.099 0.000 1.185 198 Y CA -0.328 57.883 58.100 0.185 0.000 1.336 198 Y CB -1.796 36.855 38.460 0.318 0.000 1.015 198 Y HN -0.024 nan 8.280 nan 0.000 0.522 199 N N 2.027 120.654 118.700 -0.121 0.000 2.430 199 N HA 0.028 4.767 4.740 -0.001 0.000 0.265 199 N C -1.940 173.333 175.510 -0.395 0.000 1.100 199 N CA -1.355 51.275 53.050 -0.699 0.000 0.961 199 N CB 1.609 39.519 38.487 -0.961 0.000 1.075 199 N HN -0.018 nan 8.380 nan 0.000 0.478 200 P HA -0.092 nan 4.420 nan 0.000 0.213 200 P C 1.199 178.295 177.300 -0.339 0.000 1.170 200 P CA 1.211 64.106 63.100 -0.341 0.000 0.893 200 P CB -0.017 31.398 31.700 -0.476 0.000 0.784 201 F N -0.922 118.890 119.950 -0.230 0.000 2.126 201 F HA -0.194 4.333 4.527 -0.001 0.000 0.299 201 F C 2.808 178.526 175.800 -0.136 0.000 1.096 201 F CA 1.201 59.111 58.000 -0.150 0.000 1.255 201 F CB -1.698 37.213 39.000 -0.149 0.000 0.997 201 F HN 0.114 nan 8.300 nan 0.000 0.479 202 H N 0.275 119.272 119.070 -0.122 0.000 2.267 202 H HA -0.149 4.406 4.556 -0.001 0.000 0.297 202 H C 2.459 177.708 175.328 -0.131 0.000 1.080 202 H CA 1.909 57.864 56.048 -0.155 0.000 1.278 202 H CB -0.833 28.767 29.762 -0.270 0.000 1.365 202 H HN 0.292 nan 8.280 nan 0.000 0.489 203 G N 1.535 110.388 108.800 0.089 0.000 2.529 203 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.219 203 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.219 203 G C 2.196 177.001 174.900 -0.159 0.000 1.177 203 G CA 1.261 46.373 45.100 0.020 0.000 0.773 203 G HN 0.393 nan 8.290 nan 0.000 0.573 204 L N 0.252 121.350 121.223 -0.208 0.000 1.951 204 L HA -0.207 4.133 4.340 -0.001 0.000 0.222 204 L C 3.143 179.817 176.870 -0.328 0.000 1.078 204 L CA 1.775 56.342 54.840 -0.456 0.000 0.778 204 L CB -0.803 41.096 42.059 -0.266 0.000 0.893 204 L HN 0.235 nan 8.230 nan 0.000 0.436 205 S N -0.650 115.009 115.700 -0.069 0.000 2.428 205 S HA -0.221 4.248 4.470 -0.001 0.000 0.240 205 S C 1.778 176.361 174.600 -0.029 0.000 1.036 205 S CA 1.509 59.729 58.200 0.034 0.000 1.009 205 S CB -0.323 62.868 63.200 -0.016 0.000 0.803 205 S HN 0.291 nan 8.310 nan 0.000 0.486 206 I N 0.190 120.661 120.570 -0.164 0.000 3.035 206 I HA 0.024 4.193 4.170 -0.001 0.000 0.271 206 I C 2.316 178.298 176.117 -0.225 0.000 1.190 206 I CA 0.482 61.668 61.300 -0.190 0.000 1.472 206 I CB -0.266 37.563 38.000 -0.285 0.000 1.116 206 I HN 0.244 nan 8.210 nan 0.000 0.443 207 A N 1.103 123.768 122.820 -0.260 0.000 1.958 207 A HA -0.242 4.077 4.320 -0.001 0.000 0.221 207 A C 1.806 179.346 177.584 -0.073 0.000 1.178 207 A CA 2.105 53.937 52.037 -0.343 0.000 0.642 207 A CB -0.567 17.982 19.000 -0.751 0.000 0.816 207 A HN 0.399 nan 8.150 nan 0.000 0.453 208 F N -1.991 117.996 119.950 0.063 0.000 2.480 208 F HA 0.250 4.777 4.527 -0.001 0.000 0.280 208 F C 1.657 177.560 175.800 0.171 0.000 1.002 208 F CA -0.185 57.884 58.000 0.115 0.000 1.325 208 F CB -0.798 38.268 39.000 0.109 0.000 1.134 208 F HN 0.043 nan 8.300 nan 0.000 0.646 209 L N -0.142 121.311 121.223 0.384 0.000 2.671 209 L HA -0.259 4.080 4.340 -0.001 0.000 0.236 209 L C 0.669 177.778 176.870 0.398 0.000 1.178 209 L CA 1.780 56.816 54.840 0.326 0.000 0.829 209 L CB -0.579 41.645 42.059 0.275 0.000 0.956 209 L HN 0.264 nan 8.230 nan 0.000 0.455 210 Y N -1.640 118.744 120.300 0.139 0.000 2.512 210 Y HA 0.224 4.774 4.550 -0.001 0.000 0.268 210 Y C 2.326 178.293 175.900 0.111 0.000 1.102 210 Y CA 0.203 58.368 58.100 0.109 0.000 1.261 210 Y CB -0.384 38.130 38.460 0.091 0.000 1.250 210 Y HN 0.034 nan 8.280 nan 0.000 0.506 211 G N -0.440 108.548 108.800 0.313 0.000 2.432 211 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.219 211 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.219 211 G C 1.623 176.603 174.900 0.132 0.000 1.135 211 G CA 1.452 46.687 45.100 0.224 0.000 0.767 211 G HN 0.342 nan 8.290 nan 0.000 0.550 212 S N 1.178 116.969 115.700 0.151 0.000 2.310 212 S HA 0.242 4.712 4.470 -0.001 0.000 0.201 212 S C 2.724 177.411 174.600 0.145 0.000 1.032 212 S CA 0.993 59.270 58.200 0.128 0.000 0.993 212 S CB -1.031 62.258 63.200 0.147 0.000 0.970 212 S HN 0.723 nan 8.310 nan 0.000 0.446 213 A N 2.239 125.140 122.820 0.135 0.000 1.698 213 A HA -0.318 4.001 4.320 -0.001 0.000 0.304 213 A C 2.035 179.681 177.584 0.103 0.000 3.354 213 A CA 2.466 54.557 52.037 0.090 0.000 0.884 213 A CB -1.719 17.277 19.000 -0.007 0.000 0.798 213 A HN 0.517 nan 8.150 nan 0.000 0.543 214 L N -1.001 120.272 121.223 0.084 0.000 1.921 214 L HA -0.124 4.216 4.340 -0.001 0.000 0.219 214 L C 2.222 179.145 176.870 0.089 0.000 1.081 214 L CA 2.759 57.641 54.840 0.071 0.000 0.771 214 L CB -1.306 40.787 42.059 0.056 0.000 0.888 214 L HN 0.463 nan 8.230 nan 0.000 0.433 215 L N -0.888 120.370 121.223 0.058 0.000 2.013 215 L HA -0.246 4.094 4.340 -0.001 0.000 0.212 215 L C 2.407 179.372 176.870 0.159 0.000 1.073 215 L CA 1.889 56.748 54.840 0.033 0.000 0.753 215 L CB -1.308 40.717 42.059 -0.056 0.000 0.890 215 L HN 0.408 nan 8.230 nan 0.000 0.432 216 F N 0.167 120.163 119.950 0.076 0.000 2.250 216 F HA -0.101 4.425 4.527 -0.001 0.000 0.301 216 F C 2.345 178.208 175.800 0.105 0.000 1.077 216 F CA 0.836 58.904 58.000 0.113 0.000 1.348 216 F CB -0.869 38.196 39.000 0.107 0.000 1.040 216 F HN 0.234 nan 8.300 nan 0.000 0.509 217 A N -1.545 121.454 122.820 0.299 0.000 2.208 217 A HA 0.006 4.326 4.320 -0.001 0.000 0.209 217 A C 2.199 179.889 177.584 0.177 0.000 1.161 217 A CA 0.696 52.842 52.037 0.182 0.000 0.782 217 A CB -0.353 18.721 19.000 0.124 0.000 0.816 217 A HN 0.382 nan 8.150 nan 0.000 0.477 218 M N -2.886 116.831 119.600 0.196 0.000 2.906 218 M HA 0.090 4.570 4.480 -0.001 0.000 0.252 218 M C 2.109 178.556 176.300 0.245 0.000 1.359 218 M CA 1.005 56.425 55.300 0.200 0.000 1.239 218 M CB -0.110 32.516 32.600 0.042 0.000 1.229 218 M HN 0.666 nan 8.290 nan 0.000 0.547 219 H N 0.162 119.314 119.070 0.135 0.000 2.293 219 H HA -0.056 4.500 4.556 -0.001 0.000 0.300 219 H C 1.696 177.144 175.328 0.201 0.000 1.082 219 H CA 2.569 58.697 56.048 0.133 0.000 1.308 219 H CB -0.672 29.122 29.762 0.053 0.000 1.375 219 H HN 0.374 nan 8.280 nan 0.000 0.495 220 G N 0.221 109.159 108.800 0.231 0.000 2.587 220 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.217 220 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.217 220 G C 1.942 176.848 174.900 0.010 0.000 1.240 220 G CA 1.665 46.836 45.100 0.118 0.000 0.794 220 G HN 0.660 nan 8.290 nan 0.000 0.580 221 A N -0.468 122.385 122.820 0.056 0.000 2.084 221 A HA 0.005 4.325 4.320 -0.001 0.000 0.221 221 A C 2.424 179.991 177.584 -0.028 0.000 1.161 221 A CA 2.463 54.511 52.037 0.018 0.000 0.653 221 A CB -0.748 18.282 19.000 0.051 0.000 0.802 221 A HN 0.386 nan 8.150 nan 0.000 0.457 222 T N -0.054 114.496 114.554 -0.007 0.000 2.613 222 T HA -0.071 4.278 4.350 -0.001 0.000 0.248 222 T C 1.715 176.367 174.700 -0.081 0.000 1.107 222 T CA 1.322 63.393 62.100 -0.048 0.000 1.238 222 T CB -0.423 68.492 68.868 0.078 0.000 0.899 222 T HN 0.245 nan 8.240 nan 0.000 0.400 223 I N 0.995 121.504 120.570 -0.101 0.000 2.247 223 I HA -0.235 3.935 4.170 -0.001 0.000 0.249 223 I C 2.056 178.140 176.117 -0.055 0.000 1.027 223 I CA 1.176 62.428 61.300 -0.080 0.000 1.316 223 I CB -0.605 37.310 38.000 -0.141 0.000 1.007 223 I HN 0.185 nan 8.210 nan 0.000 0.430 224 L N -0.224 120.958 121.223 -0.068 0.000 2.046 224 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 224 L C 2.309 179.128 176.870 -0.084 0.000 1.077 224 L CA 2.146 56.946 54.840 -0.066 0.000 0.747 224 L CB -1.012 41.014 42.059 -0.056 0.000 0.896 224 L HN 0.300 nan 8.230 nan 0.000 0.432 225 A N -2.084 120.676 122.820 -0.099 0.000 2.238 225 A HA 0.109 4.429 4.320 -0.001 0.000 0.208 225 A C 1.813 179.354 177.584 -0.072 0.000 1.177 225 A CA 0.621 52.587 52.037 -0.118 0.000 0.804 225 A CB -0.195 18.699 19.000 -0.177 0.000 0.823 225 A HN 0.206 nan 8.150 nan 0.000 0.482 226 V N -1.478 118.416 119.914 -0.034 0.000 3.477 226 V HA 0.019 4.139 4.120 -0.001 0.000 0.297 226 V C 2.112 178.241 176.094 0.059 0.000 1.433 226 V CA 0.972 63.335 62.300 0.105 0.000 1.052 226 V CB 0.285 32.177 31.823 0.115 0.000 0.895 226 V HN 0.499 nan 8.190 nan 0.000 0.438 227 S N 0.907 116.564 115.700 -0.073 0.000 2.354 227 S HA -0.247 4.222 4.470 -0.001 0.000 0.219 227 S C 2.015 176.464 174.600 -0.252 0.000 1.035 227 S CA 1.960 60.098 58.200 -0.105 0.000 1.037 227 S CB -0.200 62.937 63.200 -0.105 0.000 0.956 227 S HN 0.520 nan 8.310 nan 0.000 0.428 228 R N 0.178 120.389 120.500 -0.482 0.000 2.469 228 R HA -0.223 4.116 4.340 -0.001 0.000 0.260 228 R C 0.368 176.131 176.300 -0.896 0.000 1.073 228 R CA 2.073 57.658 56.100 -0.858 0.000 0.981 228 R CB -0.621 28.753 30.300 -1.544 0.000 0.846 228 R HN 0.560 nan 8.270 nan 0.000 0.497 229 F N -3.317 116.618 119.950 -0.024 0.000 2.697 229 F HA 0.384 4.911 4.527 -0.001 0.000 0.367 229 F C 0.983 176.774 175.800 -0.014 0.000 1.300 229 F CA -0.510 57.479 58.000 -0.018 0.000 1.121 229 F CB 0.105 39.094 39.000 -0.019 0.000 1.188 229 F HN -0.022 nan 8.300 nan 0.000 0.511 230 G N 0.906 109.765 108.800 0.099 0.000 2.379 230 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.297 230 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.297 230 G C 1.454 176.410 174.900 0.093 0.000 1.004 230 G CA 0.536 45.677 45.100 0.067 0.000 0.921 230 G HN 0.930 nan 8.290 nan 0.000 0.511 231 G N 0.251 109.131 108.800 0.133 0.000 2.606 231 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.223 231 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.223 231 G C 1.349 176.299 174.900 0.083 0.000 1.106 231 G CA 1.553 46.721 45.100 0.113 0.000 0.745 231 G HN 0.744 nan 8.290 nan 0.000 0.597 232 E N 0.481 120.715 120.200 0.057 0.000 2.209 232 E HA -0.099 4.251 4.350 -0.001 0.000 0.196 232 E C 1.191 177.826 176.600 0.058 0.000 0.993 232 E CA 0.584 57.014 56.400 0.050 0.000 0.819 232 E CB -0.116 29.596 29.700 0.020 0.000 0.745 232 E HN 0.417 nan 8.360 nan 0.000 0.477 233 R N 2.001 122.532 120.500 0.051 0.000 2.429 233 R HA 0.120 4.460 4.340 -0.001 0.000 0.302 233 R C 0.022 176.350 176.300 0.047 0.000 1.268 233 R CA 0.151 56.273 56.100 0.036 0.000 1.090 233 R CB 0.025 30.342 30.300 0.028 0.000 1.102 233 R HN 0.345 nan 8.270 nan 0.000 0.522 234 E N 1.407 121.636 120.200 0.048 0.000 2.060 234 E HA -0.131 4.218 4.350 -0.001 0.000 0.189 234 E C 1.443 178.060 176.600 0.029 0.000 0.974 234 E CA 0.739 57.178 56.400 0.065 0.000 0.808 234 E CB -0.028 29.739 29.700 0.113 0.000 0.768 234 E HN 0.264 nan 8.360 nan 0.000 0.453 235 L N 1.133 122.352 121.223 -0.008 0.000 1.989 235 L HA -0.144 4.195 4.340 -0.001 0.000 0.211 235 L C 2.024 178.894 176.870 0.000 0.000 1.071 235 L CA 1.641 56.473 54.840 -0.014 0.000 0.749 235 L CB -1.072 40.964 42.059 -0.038 0.000 0.890 235 L HN -0.022 nan 8.230 nan 0.000 0.431 236 E N -1.038 119.164 120.200 0.004 0.000 2.405 236 E HA -0.064 4.285 4.350 -0.001 0.000 0.194 236 E C 1.685 178.296 176.600 0.017 0.000 1.149 236 E CA 0.150 56.555 56.400 0.007 0.000 0.933 236 E CB -0.047 29.656 29.700 0.004 0.000 1.028 236 E HN 0.530 nan 8.360 nan 0.000 0.487 237 Q N -1.084 118.730 119.800 0.025 0.000 2.586 237 Q HA 0.183 4.522 4.340 -0.001 0.000 0.243 237 Q C 1.371 177.393 176.000 0.037 0.000 0.846 237 Q CA -0.056 55.768 55.803 0.035 0.000 0.959 237 Q CB 0.263 29.031 28.738 0.049 0.000 1.227 237 Q HN 0.293 nan 8.270 nan 0.000 0.611 238 I N 1.189 121.783 120.570 0.040 0.000 3.294 238 I HA -0.159 4.010 4.170 -0.001 0.000 0.287 238 I C 1.336 177.468 176.117 0.025 0.000 1.328 238 I CA 0.600 61.924 61.300 0.039 0.000 1.375 238 I CB 0.163 38.184 38.000 0.036 0.000 1.045 238 I HN 0.174 nan 8.210 nan 0.000 0.522 239 A N -1.239 121.592 122.820 0.019 0.000 2.138 239 A HA 0.251 4.571 4.320 -0.001 0.000 0.203 239 A C 0.035 177.627 177.584 0.013 0.000 1.286 239 A CA 0.067 52.112 52.037 0.013 0.000 0.929 239 A CB 0.407 19.411 19.000 0.006 0.000 0.975 239 A HN 0.304 nan 8.150 nan 0.000 0.480 240 D N -0.373 120.036 120.400 0.016 0.000 2.591 240 D HA 0.358 4.997 4.640 -0.001 0.000 0.222 240 D C -1.014 175.295 176.300 0.015 0.000 1.360 240 D CA -0.256 53.752 54.000 0.013 0.000 0.967 240 D CB 1.048 41.854 40.800 0.010 0.000 1.456 240 D HN 0.250 nan 8.370 nan 0.000 0.588 241 R N 1.691 122.198 120.500 0.012 0.000 2.234 241 R HA 0.706 5.046 4.340 -0.001 0.000 0.324 241 R C 0.558 176.852 176.300 -0.010 0.000 1.054 241 R CA -0.720 55.384 56.100 0.007 0.000 0.912 241 R CB 1.443 31.748 30.300 0.008 0.000 1.030 241 R HN 0.293 nan 8.270 nan 0.000 0.455 242 G N 0.608 109.395 108.800 -0.022 0.000 3.013 242 G HA2 0.244 4.203 3.960 -0.001 0.000 0.278 242 G HA3 0.244 4.203 3.960 -0.001 0.000 0.278 242 G C 0.626 175.458 174.900 -0.113 0.000 1.353 242 G CA -0.660 44.408 45.100 -0.054 0.000 1.043 242 G HN 0.473 nan 8.290 nan 0.000 0.523 243 T N 1.025 115.455 114.554 -0.206 0.000 2.493 243 T HA -0.264 4.086 4.350 -0.001 0.000 0.256 243 T C 2.657 177.174 174.700 -0.304 0.000 1.195 243 T CA 3.292 65.180 62.100 -0.353 0.000 1.183 243 T CB -1.152 67.337 68.868 -0.631 0.000 0.863 243 T HN 1.592 nan 8.240 nan 0.000 0.418 244 A N 2.484 125.110 122.820 -0.324 0.000 2.259 244 A HA -0.285 4.035 4.320 -0.001 0.000 0.287 244 A C 2.428 179.989 177.584 -0.037 0.000 3.655 244 A CA 4.029 56.027 52.037 -0.066 0.000 1.024 244 A CB -1.859 17.159 19.000 0.029 0.000 0.527 244 A HN 1.212 nan 8.150 nan 0.000 0.443 245 A N -2.133 120.681 122.820 -0.009 0.000 1.904 245 A HA -0.133 4.186 4.320 -0.001 0.000 0.207 245 A C 1.562 179.133 177.584 -0.020 0.000 1.231 245 A CA 2.192 54.240 52.037 0.019 0.000 0.655 245 A CB -1.236 17.785 19.000 0.036 0.000 0.875 245 A HN 0.829 nan 8.150 nan 0.000 0.478 246 E N -0.774 119.405 120.200 -0.035 0.000 2.689 246 E HA -0.419 3.930 4.350 -0.001 0.000 0.247 246 E C 1.915 178.456 176.600 -0.099 0.000 1.031 246 E CA 2.605 58.968 56.400 -0.062 0.000 1.400 246 E CB -0.597 29.051 29.700 -0.088 0.000 1.296 246 E HN 0.829 nan 8.360 nan 0.000 0.475 247 R N 0.130 120.543 120.500 -0.145 0.000 2.223 247 R HA 0.304 4.644 4.340 -0.001 0.000 0.198 247 R C 2.036 178.256 176.300 -0.132 0.000 0.984 247 R CA 0.892 56.880 56.100 -0.187 0.000 1.018 247 R CB 0.081 30.241 30.300 -0.233 0.000 0.945 247 R HN 0.125 nan 8.270 nan 0.000 0.479 248 A N 0.727 123.513 122.820 -0.058 0.000 2.252 248 A HA 0.374 4.694 4.320 -0.001 0.000 0.207 248 A C 1.796 179.444 177.584 0.106 0.000 1.194 248 A CA 0.752 52.785 52.037 -0.007 0.000 0.809 248 A CB -0.092 18.932 19.000 0.041 0.000 0.814 248 A HN 0.505 nan 8.150 nan 0.000 0.482 249 A N -1.411 121.449 122.820 0.067 0.000 2.141 249 A HA 0.393 4.712 4.320 -0.001 0.000 0.201 249 A C 1.658 179.267 177.584 0.040 0.000 1.344 249 A CA 0.282 52.405 52.037 0.142 0.000 0.971 249 A CB -0.226 18.853 19.000 0.131 0.000 1.035 249 A HN 0.318 nan 8.150 nan 0.000 0.480 250 L N -0.985 120.156 121.223 -0.137 0.000 2.042 250 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 250 L C 2.293 178.849 176.870 -0.524 0.000 1.076 250 L CA 2.056 56.634 54.840 -0.438 0.000 0.749 250 L CB -0.418 41.270 42.059 -0.618 0.000 0.893 250 L HN 0.567 nan 8.230 nan 0.000 0.432 251 F N -0.732 118.919 119.950 -0.498 0.000 2.091 251 F HA -0.299 4.228 4.527 -0.001 0.000 0.299 251 F C 1.857 177.512 175.800 -0.242 0.000 1.103 251 F CA 1.844 59.551 58.000 -0.488 0.000 1.228 251 F CB -0.448 38.157 39.000 -0.658 0.000 0.984 251 F HN 0.056 nan 8.300 nan 0.000 0.477 252 W N -0.273 121.072 121.300 0.074 0.000 2.453 252 W HA 0.007 4.666 4.660 -0.001 0.000 0.289 252 W C 2.536 179.014 176.519 -0.069 0.000 1.215 252 W CA 0.077 57.396 57.345 -0.044 0.000 1.297 252 W CB -0.505 28.939 29.460 -0.025 0.000 1.113 252 W HN -0.258 nan 8.180 nan 0.000 0.551 253 R N 0.299 120.920 120.500 0.201 0.000 2.133 253 R HA -0.210 4.130 4.340 -0.001 0.000 0.247 253 R C 1.558 178.066 176.300 0.347 0.000 1.151 253 R CA 1.751 57.993 56.100 0.237 0.000 0.971 253 R CB -0.961 29.471 30.300 0.220 0.000 0.866 253 R HN 0.274 nan 8.270 nan 0.000 0.447 254 W N -0.654 120.646 121.300 -0.001 0.000 2.481 254 W HA 0.112 4.771 4.660 -0.001 0.000 0.293 254 W C 2.338 178.798 176.519 -0.098 0.000 1.201 254 W CA 0.704 58.014 57.345 -0.058 0.000 1.328 254 W CB -1.083 28.311 29.460 -0.109 0.000 1.112 254 W HN 0.015 nan 8.180 nan 0.000 0.546 255 T N 0.741 115.332 114.554 0.061 0.000 2.770 255 T HA -0.090 4.259 4.350 -0.001 0.000 0.258 255 T C 1.634 176.371 174.700 0.062 0.000 1.039 255 T CA 1.726 63.783 62.100 -0.072 0.000 1.143 255 T CB -0.240 68.389 68.868 -0.397 0.000 0.866 255 T HN 0.143 nan 8.240 nan 0.000 0.428 256 M N 0.102 119.777 119.600 0.126 0.000 2.346 256 M HA 0.503 4.983 4.480 -0.001 0.000 0.280 256 M C 0.719 177.127 176.300 0.179 0.000 1.075 256 M CA -0.361 55.014 55.300 0.125 0.000 0.989 256 M CB 0.242 32.874 32.600 0.053 0.000 1.447 256 M HN 0.113 nan 8.290 nan 0.000 0.511 257 G N 3.484 112.395 108.800 0.186 0.000 2.511 257 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.175 257 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.175 257 G C -0.574 174.568 174.900 0.403 0.000 0.233 257 G CA 0.604 45.852 45.100 0.247 0.000 1.033 257 G HN 1.713 nan 8.290 nan 0.000 0.464 258 F N 0.779 120.833 119.950 0.172 0.000 2.194 258 F HA 0.136 4.662 4.527 -0.001 0.000 0.318 258 F C -0.889 175.028 175.800 0.193 0.000 1.084 258 F CA -0.595 57.501 58.000 0.161 0.000 0.904 258 F CB -0.545 38.535 39.000 0.134 0.000 4.089 258 F HN 1.470 nan 8.300 nan 0.000 0.161 259 N N 3.463 122.380 118.700 0.362 0.000 3.243 259 N HA 0.894 5.634 4.740 -0.001 0.000 0.280 259 N C -1.298 174.418 175.510 0.344 0.000 1.545 259 N CA -0.644 52.502 53.050 0.160 0.000 0.854 259 N CB 1.984 40.577 38.487 0.176 0.000 1.612 259 N HN 1.335 nan 8.380 nan 0.000 0.577 260 A N -0.156 122.827 122.820 0.272 0.000 3.120 260 A HA 0.845 5.164 4.320 -0.001 0.000 0.213 260 A C -0.891 176.804 177.584 0.185 0.000 1.202 260 A CA -0.480 51.725 52.037 0.281 0.000 0.876 260 A CB 1.166 20.418 19.000 0.420 0.000 1.456 260 A HN 0.580 nan 8.150 nan 0.000 0.530 261 T N 0.833 115.477 114.554 0.150 0.000 3.483 261 T HA 0.276 4.626 4.350 -0.001 0.000 0.329 261 T C 0.907 175.679 174.700 0.120 0.000 1.014 261 T CA -0.515 61.654 62.100 0.115 0.000 1.056 261 T CB 0.775 69.693 68.868 0.082 0.000 1.090 261 T HN 0.524 nan 8.240 nan 0.000 0.460 262 M N 1.347 121.032 119.600 0.142 0.000 2.262 262 M HA -0.284 4.195 4.480 -0.001 0.000 0.242 262 M C 1.667 178.115 176.300 0.246 0.000 1.111 262 M CA 1.983 57.400 55.300 0.195 0.000 1.033 262 M CB -0.367 32.344 32.600 0.186 0.000 1.367 262 M HN 0.690 nan 8.290 nan 0.000 0.391 263 E N -0.676 119.619 120.200 0.159 0.000 2.052 263 E HA -0.006 4.343 4.350 -0.001 0.000 0.192 263 E C 2.062 178.728 176.600 0.111 0.000 0.958 263 E CA 0.714 57.203 56.400 0.149 0.000 0.835 263 E CB -0.186 29.562 29.700 0.080 0.000 0.811 263 E HN 0.498 nan 8.360 nan 0.000 0.462 264 G N 2.333 111.157 108.800 0.039 0.000 2.597 264 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.222 264 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.222 264 G C 1.560 176.432 174.900 -0.047 0.000 1.135 264 G CA 1.378 46.441 45.100 -0.062 0.000 0.759 264 G HN 0.343 nan 8.290 nan 0.000 0.595 265 I N 0.456 121.051 120.570 0.042 0.000 2.248 265 I HA -0.213 3.956 4.170 -0.001 0.000 0.248 265 I C 2.273 178.285 176.117 -0.176 0.000 1.107 265 I CA 1.740 63.069 61.300 0.048 0.000 1.373 265 I CB -0.395 37.559 38.000 -0.076 0.000 1.055 265 I HN 0.361 nan 8.210 nan 0.000 0.418 266 H N -0.866 118.177 119.070 -0.045 0.000 2.551 266 H HA 0.223 4.778 4.556 -0.001 0.000 0.266 266 H C 1.852 177.156 175.328 -0.040 0.000 0.964 266 H CA 0.162 56.144 56.048 -0.109 0.000 1.180 266 H CB 0.123 29.813 29.762 -0.119 0.000 1.408 266 H HN 0.128 nan 8.280 nan 0.000 0.563 267 R N -0.544 120.008 120.500 0.086 0.000 2.161 267 R HA -0.048 4.291 4.340 -0.001 0.000 0.213 267 R C 1.271 177.689 176.300 0.197 0.000 1.055 267 R CA 0.637 56.787 56.100 0.083 0.000 0.996 267 R CB -0.434 29.872 30.300 0.010 0.000 0.901 267 R HN 0.505 nan 8.270 nan 0.000 0.456 268 W N 0.464 121.807 121.300 0.071 0.000 2.518 268 W HA -0.019 4.641 4.660 -0.001 0.000 0.273 268 W C 2.144 178.669 176.519 0.011 0.000 1.247 268 W CA 0.649 58.025 57.345 0.052 0.000 1.288 268 W CB 0.225 29.667 29.460 -0.030 0.000 1.107 268 W HN 0.137 nan 8.180 nan 0.000 0.586 269 A N 0.188 123.117 122.820 0.182 0.000 1.844 269 A HA -0.131 4.189 4.320 -0.001 0.000 0.212 269 A C 1.688 179.279 177.584 0.012 0.000 1.221 269 A CA 1.152 53.183 52.037 -0.008 0.000 0.607 269 A CB -1.153 17.748 19.000 -0.165 0.000 0.878 269 A HN 0.208 nan 8.150 nan 0.000 0.451 270 I N -1.610 118.948 120.570 -0.019 0.000 2.300 270 I HA -0.275 3.895 4.170 -0.001 0.000 0.252 270 I C 2.159 178.259 176.117 -0.028 0.000 1.119 270 I CA 1.694 62.923 61.300 -0.119 0.000 1.384 270 I CB -0.053 37.747 38.000 -0.334 0.000 1.062 270 I HN 0.544 nan 8.210 nan 0.000 0.426 271 W N 0.087 121.427 121.300 0.067 0.000 2.539 271 W HA -0.081 4.578 4.660 -0.001 0.000 0.315 271 W C 2.528 179.031 176.519 -0.027 0.000 1.148 271 W CA 1.156 58.540 57.345 0.064 0.000 1.403 271 W CB -1.239 28.276 29.460 0.091 0.000 1.168 271 W HN 0.258 nan 8.180 nan 0.000 0.489 272 M N 1.610 121.363 119.600 0.256 0.000 2.294 272 M HA -0.363 4.117 4.480 -0.001 0.000 0.249 272 M C 1.892 178.187 176.300 -0.008 0.000 1.068 272 M CA 3.467 58.810 55.300 0.072 0.000 1.063 272 M CB -1.036 31.600 32.600 0.060 0.000 1.315 272 M HN -0.042 nan 8.290 nan 0.000 0.417 273 A N -1.393 121.451 122.820 0.040 0.000 1.873 273 A HA -0.059 4.260 4.320 -0.001 0.000 0.215 273 A C 2.234 179.856 177.584 0.064 0.000 1.186 273 A CA 1.872 53.940 52.037 0.051 0.000 0.616 273 A CB -1.280 17.750 19.000 0.050 0.000 0.823 273 A HN 0.450 nan 8.150 nan 0.000 0.442 274 V N -0.136 119.835 119.914 0.096 0.000 2.343 274 V HA -0.213 3.907 4.120 -0.001 0.000 0.247 274 V C 2.517 178.691 176.094 0.135 0.000 1.051 274 V CA 1.861 64.242 62.300 0.136 0.000 1.036 274 V CB -0.618 31.296 31.823 0.151 0.000 0.654 274 V HN 0.492 nan 8.190 nan 0.000 0.451 275 L N -0.323 120.936 121.223 0.059 0.000 1.978 275 L HA -0.212 4.127 4.340 -0.001 0.000 0.218 275 L C 2.491 179.432 176.870 0.119 0.000 1.075 275 L CA 1.926 56.738 54.840 -0.046 0.000 0.767 275 L CB -1.395 40.256 42.059 -0.680 0.000 0.890 275 L HN 0.180 nan 8.230 nan 0.000 0.434 276 V N -1.121 118.837 119.914 0.073 0.000 2.481 276 V HA -0.427 3.693 4.120 -0.001 0.000 0.263 276 V C 2.458 178.673 176.094 0.201 0.000 1.108 276 V CA 2.342 64.782 62.300 0.233 0.000 1.113 276 V CB -0.787 31.156 31.823 0.200 0.000 0.684 276 V HN 0.582 nan 8.190 nan 0.000 0.467 277 T N -1.995 112.670 114.554 0.185 0.000 3.056 277 T HA 0.086 4.436 4.350 -0.001 0.000 0.241 277 T C 1.565 176.444 174.700 0.300 0.000 1.006 277 T CA 0.596 62.812 62.100 0.193 0.000 1.115 277 T CB 0.057 69.026 68.868 0.169 0.000 0.939 277 T HN 0.276 nan 8.240 nan 0.000 0.462 278 L N 2.028 123.449 121.223 0.330 0.000 1.997 278 L HA -0.177 4.163 4.340 -0.001 0.000 0.227 278 L C 2.202 179.380 176.870 0.512 0.000 1.087 278 L CA 2.426 57.531 54.840 0.442 0.000 0.797 278 L CB -1.674 40.532 42.059 0.245 0.000 0.902 278 L HN 0.223 nan 8.230 nan 0.000 0.441 279 T N 0.059 114.815 114.554 0.337 0.000 2.450 279 T HA -0.294 4.055 4.350 -0.001 0.000 0.250 279 T C 1.633 176.379 174.700 0.077 0.000 1.264 279 T CA 2.627 64.885 62.100 0.263 0.000 1.191 279 T CB -1.352 67.765 68.868 0.414 0.000 0.862 279 T HN 0.712 nan 8.240 nan 0.000 0.411 280 G N 0.279 109.104 108.800 0.042 0.000 2.581 280 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.223 280 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.223 280 G C 1.530 176.251 174.900 -0.297 0.000 1.094 280 G CA 1.380 46.420 45.100 -0.100 0.000 0.736 280 G HN 0.661 nan 8.290 nan 0.000 0.588 281 G N 0.482 108.978 108.800 -0.506 0.000 2.408 281 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.215 281 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.215 281 G C 1.706 175.927 174.900 -1.131 0.000 1.156 281 G CA 0.560 44.807 45.100 -1.422 0.000 0.793 281 G HN 0.444 nan 8.290 nan 0.000 0.535 282 I N 1.153 121.413 120.570 -0.516 0.000 2.110 282 I HA -0.062 4.107 4.170 -0.001 0.000 0.236 282 I C 3.130 178.974 176.117 -0.455 0.000 1.068 282 I CA 1.055 62.097 61.300 -0.431 0.000 1.333 282 I CB -0.664 36.913 38.000 -0.705 0.000 1.054 282 I HN 0.248 nan 8.210 nan 0.000 0.402 283 G N 1.542 110.102 108.800 -0.401 0.000 2.783 283 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.225 283 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.225 283 G C 1.518 176.390 174.900 -0.047 0.000 1.191 283 G CA 1.737 46.798 45.100 -0.065 0.000 0.774 283 G HN 0.445 nan 8.290 nan 0.000 0.632 284 I N 1.317 121.787 120.570 -0.168 0.000 3.059 284 I HA 0.073 4.243 4.170 -0.001 0.000 0.270 284 I C 2.273 178.327 176.117 -0.106 0.000 1.238 284 I CA 0.382 61.604 61.300 -0.130 0.000 1.478 284 I CB 0.015 37.904 38.000 -0.184 0.000 1.097 284 I HN 0.330 nan 8.210 nan 0.000 0.455 285 L N -2.405 118.721 121.223 -0.162 0.000 2.611 285 L HA 0.176 4.515 4.340 -0.001 0.000 0.229 285 L C 1.528 178.409 176.870 0.018 0.000 1.137 285 L CA 0.463 55.261 54.840 -0.070 0.000 0.901 285 L CB 0.067 42.065 42.059 -0.102 0.000 1.098 285 L HN 0.046 nan 8.230 nan 0.000 0.456 286 L N -0.570 120.700 121.223 0.079 0.000 2.316 286 L HA 0.202 4.542 4.340 -0.001 0.000 0.207 286 L C 1.991 178.974 176.870 0.189 0.000 1.070 286 L CA 1.068 55.998 54.840 0.149 0.000 0.820 286 L CB -0.250 41.966 42.059 0.263 0.000 0.992 286 L HN 0.225 nan 8.230 nan 0.000 0.466 287 S N -0.307 115.589 115.700 0.327 0.000 3.122 287 S HA 0.405 4.874 4.470 -0.001 0.000 0.249 287 S C 0.994 175.728 174.600 0.222 0.000 1.334 287 S CA 0.525 59.012 58.200 0.478 0.000 1.251 287 S CB -0.783 62.827 63.200 0.683 0.000 1.034 287 S HN 0.505 nan 8.310 nan 0.000 0.478 288 G N -0.141 108.752 108.800 0.154 0.000 4.211 288 G HA2 0.107 4.067 3.960 -0.001 0.000 0.192 288 G HA3 0.107 4.067 3.960 -0.001 0.000 0.192 288 G C 0.401 175.335 174.900 0.057 0.000 0.951 288 G CA 0.302 45.506 45.100 0.173 0.000 0.804 288 G HN 0.608 nan 8.290 nan 0.000 0.489 289 T N -2.606 111.955 114.554 0.011 0.000 1.910 289 T HA 0.248 4.597 4.350 -0.001 0.000 0.167 289 T C 1.026 175.691 174.700 -0.057 0.000 0.725 289 T CA 0.461 62.549 62.100 -0.020 0.000 0.928 289 T CB 0.096 68.963 68.868 -0.002 0.000 3.095 289 T HN 0.290 nan 8.240 nan 0.000 0.393 290 V N 2.079 121.971 119.914 -0.037 0.000 2.850 290 V HA 0.201 4.320 4.120 -0.001 0.000 0.275 290 V C -0.387 175.592 176.094 -0.191 0.000 1.251 290 V CA 0.766 63.034 62.300 -0.053 0.000 1.328 290 V CB -2.040 29.787 31.823 0.006 0.000 1.063 290 V HN 0.558 nan 8.190 nan 0.000 0.452 291 V N -0.146 119.608 119.914 -0.266 0.000 3.625 291 V HA 0.026 4.146 4.120 -0.001 0.000 0.234 291 V C 0.393 176.230 176.094 -0.430 0.000 1.619 291 V CA -0.437 61.533 62.300 -0.550 0.000 0.966 291 V CB 1.357 32.346 31.823 -1.389 0.000 1.056 291 V HN 0.422 nan 8.190 nan 0.000 0.505 292 D N 2.768 122.990 120.400 -0.296 0.000 2.323 292 D HA 0.047 4.686 4.640 -0.001 0.000 0.209 292 D C 0.510 176.620 176.300 -0.315 0.000 0.973 292 D CA 0.945 54.798 54.000 -0.244 0.000 0.874 292 D CB 0.549 41.247 40.800 -0.171 0.000 0.930 292 D HN 0.553 nan 8.370 nan 0.000 0.521 293 N N -1.187 117.300 118.700 -0.355 0.000 2.484 293 N HA 0.026 4.766 4.740 -0.001 0.000 0.269 293 N C -0.694 174.670 175.510 -0.243 0.000 1.237 293 N CA -0.430 52.495 53.050 -0.208 0.000 0.838 293 N CB 0.584 39.036 38.487 -0.058 0.000 1.593 293 N HN -0.135 nan 8.380 nan 0.000 0.485 294 W N 0.578 122.020 121.300 0.236 0.000 2.792 294 W HA 0.168 4.828 4.660 -0.001 0.000 0.262 294 W C 1.668 178.450 176.519 0.438 0.000 1.212 294 W CA -0.036 57.508 57.345 0.333 0.000 1.433 294 W CB -0.353 29.268 29.460 0.268 0.000 1.004 294 W HN 0.619 nan 8.180 nan 0.000 0.608 295 Y N 1.793 122.371 120.300 0.463 0.000 1.978 295 Y HA -0.365 4.185 4.550 -0.001 0.000 0.247 295 Y C 2.273 178.233 175.900 0.100 0.000 1.102 295 Y CA 2.164 60.373 58.100 0.182 0.000 1.069 295 Y CB -1.191 37.349 38.460 0.134 0.000 0.954 295 Y HN -0.234 nan 8.280 nan 0.000 0.488 296 V N 0.121 120.156 119.914 0.201 0.000 2.273 296 V HA -0.476 3.643 4.120 -0.001 0.000 0.248 296 V C 2.014 178.133 176.094 0.041 0.000 1.023 296 V CA 2.454 64.772 62.300 0.031 0.000 1.055 296 V CB -1.719 30.172 31.823 0.114 0.000 0.692 296 V HN 0.832 nan 8.190 nan 0.000 0.491 297 W N 1.048 122.318 121.300 -0.050 0.000 2.235 297 W HA -0.335 4.325 4.660 -0.001 0.000 0.330 297 W C 2.192 178.743 176.519 0.053 0.000 1.329 297 W CA 3.168 60.491 57.345 -0.037 0.000 1.337 297 W CB -0.995 28.367 29.460 -0.162 0.000 1.115 297 W HN 0.430 nan 8.180 nan 0.000 0.491 298 G N -1.016 107.854 108.800 0.117 0.000 2.505 298 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.214 298 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.214 298 G C 1.285 176.069 174.900 -0.193 0.000 1.237 298 G CA 1.171 46.251 45.100 -0.033 0.000 0.802 298 G HN 0.260 nan 8.290 nan 0.000 0.549 299 Q N 0.466 120.066 119.800 -0.333 0.000 2.290 299 Q HA -0.120 4.220 4.340 -0.001 0.000 0.211 299 Q C 1.802 177.642 176.000 -0.265 0.000 0.991 299 Q CA 0.853 56.409 55.803 -0.413 0.000 0.893 299 Q CB -0.524 27.799 28.738 -0.693 0.000 0.913 299 Q HN 0.580 nan 8.270 nan 0.000 0.428 300 N N 0.022 118.601 118.700 -0.202 0.000 2.313 300 N HA -0.016 4.724 4.740 -0.001 0.000 0.207 300 N C -0.335 174.992 175.510 -0.304 0.000 1.141 300 N CA 0.041 52.974 53.050 -0.196 0.000 0.830 300 N CB 0.350 38.748 38.487 -0.147 0.000 1.008 300 N HN 0.282 nan 8.380 nan 0.000 0.481 301 H N 0.000 118.852 119.070 -0.363 0.000 2.539 301 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 301 H CA 0.000 55.843 56.048 -0.342 0.000 1.023 301 H CB 0.000 29.472 29.762 -0.483 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496