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 2df7_1_T DATA FIRST_RESID 11 DATA SEQUENCE IVPFIRSLLM PTTGPASIPD DTLEKHTLRS ETSTYNLTVG DTGSGLIVFF DATA SEQUENCE PGFPGSIVGA HYTLQSNGNY KFDQMLLTAQ NLPASYNYCR LVSRSLTVRS DATA SEQUENCE STLPGGVYAL NGTINAVTFQ GSLSELTDVS YNGLMSATAN INDKIGNVLV DATA SEQUENCE GEGVTVLSLP TSYDLGYVRL GDPIPAIGLD PKMVATCDSS DRPRVYTITA DATA SEQUENCE ADDYQFSSQY QSGGVTITLF SANIDAITSL SIGGELVFHT SVHGLALDAT DATA SEQUENCE IYLIGFDGTT VITRAVASDN GLTTGIDNLM PFNLVIPTNE ITQPITSIKL DATA SEQUENCE EIVTSKSGGQ AGDQMSWSAS GSLAVTIHGG NYPGALRPVT LVAYERVATG DATA SEQUENCE SVVTVAGVSN FELIPNPELA KNLVTEYGRF DPGAMNYTKL ILSERERLGI DATA SEQUENCE KTVWPTREYT DFREYFME 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 11 I HA 0.000 nan 4.170 nan 0.000 0.288 11 I C 0.000 176.079 176.117 -0.063 0.000 1.063 11 I CA 0.000 61.228 61.300 -0.119 0.000 1.566 11 I CB 0.000 37.937 38.000 -0.105 0.000 1.214 12 V N 9.268 129.115 119.914 -0.112 0.000 2.611 12 V HA -0.024 4.096 4.120 -0.000 0.000 0.296 12 V C -1.469 174.650 176.094 0.041 0.000 1.006 12 V CA -0.025 62.244 62.300 -0.052 0.000 1.194 12 V CB -0.165 31.614 31.823 -0.072 0.000 0.871 12 V HN 0.779 nan 8.190 nan 0.000 0.470 13 P HA -0.230 nan 4.420 nan 0.000 0.217 13 P C 1.611 178.953 177.300 0.071 0.000 1.158 13 P CA 1.428 64.566 63.100 0.062 0.000 0.887 13 P CB 0.004 31.747 31.700 0.071 0.000 0.792 14 F N 0.114 120.077 119.950 0.021 0.000 2.095 14 F HA -0.197 4.329 4.527 -0.000 0.000 0.298 14 F C 2.024 177.857 175.800 0.056 0.000 1.104 14 F CA 1.388 59.401 58.000 0.022 0.000 1.232 14 F CB -0.797 38.198 39.000 -0.008 0.000 0.987 14 F HN -0.225 nan 8.300 nan 0.000 0.475 15 I N 0.444 120.965 120.570 -0.081 0.000 2.286 15 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 15 I C 2.604 178.657 176.117 -0.106 0.000 1.115 15 I CA 1.390 62.674 61.300 -0.027 0.000 1.392 15 I CB -1.201 36.982 38.000 0.305 0.000 1.065 15 I HN 0.239 nan 8.210 nan 0.000 0.418 16 R N 0.220 120.701 120.500 -0.032 0.000 2.075 16 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 16 R C 2.518 178.723 176.300 -0.157 0.000 1.126 16 R CA 1.749 57.819 56.100 -0.051 0.000 0.963 16 R CB -0.098 30.237 30.300 0.058 0.000 0.858 16 R HN 0.202 nan 8.270 nan 0.000 0.435 17 S N 0.589 116.174 115.700 -0.192 0.000 2.355 17 S HA -0.122 4.348 4.470 -0.000 0.000 0.222 17 S C 1.928 176.366 174.600 -0.271 0.000 1.031 17 S CA 1.053 59.133 58.200 -0.200 0.000 0.993 17 S CB -0.260 62.833 63.200 -0.180 0.000 0.859 17 S HN 0.319 nan 8.310 nan 0.000 0.453 18 L N 1.658 122.601 121.223 -0.466 0.000 1.989 18 L HA 0.043 4.383 4.340 -0.000 0.000 0.211 18 L C 1.982 178.745 176.870 -0.178 0.000 1.071 18 L CA 1.925 56.538 54.840 -0.378 0.000 0.749 18 L CB -0.660 41.086 42.059 -0.522 0.000 0.890 18 L HN 0.398 nan 8.230 nan 0.000 0.431 19 L N -1.460 119.655 121.223 -0.180 0.000 2.418 19 L HA 0.049 4.389 4.340 -0.000 0.000 0.218 19 L C 0.760 177.604 176.870 -0.042 0.000 1.125 19 L CA 0.341 55.131 54.840 -0.084 0.000 0.835 19 L CB -0.112 41.848 42.059 -0.165 0.000 0.953 19 L HN 0.265 nan 8.230 nan 0.000 0.454 20 M N -0.713 118.818 119.600 -0.114 0.000 2.720 20 M HA 0.228 4.708 4.480 -0.000 0.000 0.250 20 M C -2.021 174.246 176.300 -0.055 0.000 1.280 20 M CA -1.229 54.041 55.300 -0.050 0.000 0.579 20 M CB 1.427 33.952 32.600 -0.126 0.000 1.469 20 M HN -0.248 nan 8.290 nan 0.000 0.416 21 P HA -0.181 nan 4.420 nan 0.000 0.217 21 P C 1.426 178.698 177.300 -0.046 0.000 1.148 21 P CA 1.700 64.757 63.100 -0.071 0.000 0.834 21 P CB -0.151 31.494 31.700 -0.092 0.000 0.783 22 T N -4.611 109.928 114.554 -0.025 0.000 3.051 22 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 22 T C 1.531 176.226 174.700 -0.009 0.000 1.127 22 T CA 1.530 63.622 62.100 -0.012 0.000 1.107 22 T CB -1.512 67.357 68.868 0.001 0.000 0.898 22 T HN 0.227 nan 8.240 nan 0.000 0.517 23 T N -1.752 112.792 114.554 -0.017 0.000 3.113 23 T HA 0.493 4.843 4.350 -0.000 0.000 0.256 23 T C 1.120 175.819 174.700 -0.002 0.000 1.131 23 T CA 0.240 62.334 62.100 -0.010 0.000 1.074 23 T CB -0.493 68.367 68.868 -0.015 0.000 0.944 23 T HN 1.108 nan 8.240 nan 0.000 0.516 24 G N 1.499 110.296 108.800 -0.004 0.000 2.381 24 G HA2 0.248 4.208 3.960 -0.000 0.000 0.672 24 G HA3 0.248 4.208 3.960 -0.000 0.000 0.672 24 G C -3.397 171.509 174.900 0.009 0.000 1.324 24 G CA -0.648 44.460 45.100 0.012 0.000 0.975 24 G HN 0.270 nan 8.290 nan 0.000 0.593 25 P HA 0.704 nan 4.420 nan 0.000 0.280 25 P C -0.316 177.035 177.300 0.085 0.000 1.272 25 P CA 0.342 63.474 63.100 0.055 0.000 0.819 25 P CB 1.974 33.724 31.700 0.084 0.000 1.122 26 A N 0.178 123.079 122.820 0.135 0.000 2.605 26 A HA 0.550 4.870 4.320 -0.000 0.000 0.294 26 A C -0.633 177.107 177.584 0.260 0.000 1.062 26 A CA -0.519 51.633 52.037 0.192 0.000 0.682 26 A CB 0.578 19.702 19.000 0.205 0.000 1.278 26 A HN 0.377 nan 8.150 nan 0.000 0.410 27 S N 0.675 116.518 115.700 0.238 0.000 2.565 27 S HA 0.452 4.922 4.470 -0.000 0.000 0.276 27 S C 0.268 174.878 174.600 0.016 0.000 1.326 27 S CA -0.279 58.037 58.200 0.193 0.000 1.045 27 S CB 0.302 63.669 63.200 0.279 0.000 0.918 27 S HN 0.476 nan 8.310 nan 0.000 0.505 28 I N 4.777 125.237 120.570 -0.184 0.000 2.598 28 I HA 0.113 4.283 4.170 -0.000 0.000 0.284 28 I C -1.455 174.334 176.117 -0.546 0.000 1.140 28 I CA -1.471 59.423 61.300 -0.676 0.000 1.420 28 I CB 0.477 38.177 38.000 -0.500 0.000 1.387 28 I HN 0.435 nan 8.210 nan 0.000 0.553 29 P HA 0.057 nan 4.420 nan 0.000 0.237 29 P C -0.953 176.180 177.300 -0.278 0.000 1.723 29 P CA -0.177 62.705 63.100 -0.364 0.000 0.882 29 P CB -0.419 31.090 31.700 -0.319 0.000 1.810 30 D N -0.885 119.366 120.400 -0.248 0.000 2.541 30 D HA 0.129 4.769 4.640 -0.000 0.000 0.276 30 D C 0.451 176.735 176.300 -0.027 0.000 1.190 30 D CA -0.381 53.542 54.000 -0.129 0.000 1.095 30 D CB -0.109 40.623 40.800 -0.114 0.000 1.173 30 D HN -0.212 nan 8.370 nan 0.000 0.604 31 D N -1.348 119.057 120.400 0.009 0.000 2.363 31 D HA 0.064 4.704 4.640 -0.000 0.000 0.214 31 D C -0.051 176.286 176.300 0.061 0.000 1.093 31 D CA 0.266 54.288 54.000 0.036 0.000 0.837 31 D CB 0.074 40.894 40.800 0.032 0.000 0.948 31 D HN 0.256 nan 8.370 nan 0.000 0.507 32 T N 2.309 116.907 114.554 0.073 0.000 4.098 32 T HA 0.125 4.475 4.350 -0.000 0.000 0.291 32 T C 0.804 175.609 174.700 0.174 0.000 1.440 32 T CA -0.282 61.892 62.100 0.123 0.000 1.164 32 T CB -0.062 68.889 68.868 0.139 0.000 1.313 32 T HN -0.023 nan 8.240 nan 0.000 0.951 33 L N 3.228 124.553 121.223 0.170 0.000 2.574 33 L HA 0.275 4.615 4.340 -0.000 0.000 0.281 33 L C 0.710 177.776 176.870 0.327 0.000 1.212 33 L CA 0.793 55.797 54.840 0.272 0.000 1.082 33 L CB -0.809 41.374 42.059 0.208 0.000 1.362 33 L HN 0.554 nan 8.230 nan 0.000 0.451 34 E N 2.186 122.536 120.200 0.251 0.000 2.256 34 E HA 0.298 4.648 4.350 -0.000 0.000 0.267 34 E C -0.635 175.906 176.600 -0.097 0.000 0.892 34 E CA -0.891 55.508 56.400 -0.003 0.000 0.775 34 E CB 2.211 31.714 29.700 -0.329 0.000 1.207 34 E HN 0.274 nan 8.360 nan 0.000 0.420 35 K N 3.451 123.575 120.400 -0.461 0.000 2.383 35 K HA 0.095 4.415 4.320 -0.000 0.000 0.286 35 K C -0.245 176.258 176.600 -0.162 0.000 1.051 35 K CA 0.188 56.156 56.287 -0.531 0.000 0.974 35 K CB 0.193 32.367 32.500 -0.543 0.000 0.968 35 K HN 0.486 nan 8.250 nan 0.000 0.475 36 H N -0.310 118.679 119.070 -0.135 0.000 3.015 36 H HA 0.471 5.027 4.556 -0.000 0.000 0.282 36 H C -1.061 174.289 175.328 0.037 0.000 1.508 36 H CA -0.805 55.243 56.048 -0.001 0.000 1.209 36 H CB 1.824 31.673 29.762 0.145 0.000 1.869 36 H HN 0.448 nan 8.280 nan 0.000 0.591 37 T N 0.268 114.946 114.554 0.207 0.000 2.906 37 T HA 0.585 4.935 4.350 -0.000 0.000 0.295 37 T C -1.123 173.717 174.700 0.232 0.000 1.075 37 T CA -0.745 61.432 62.100 0.127 0.000 1.005 37 T CB 1.214 70.165 68.868 0.139 0.000 1.136 37 T HN 0.423 nan 8.240 nan 0.000 0.498 38 L N 3.599 124.924 121.223 0.170 0.000 2.329 38 L HA 0.762 5.102 4.340 -0.000 0.000 0.279 38 L C 0.075 177.024 176.870 0.131 0.000 1.014 38 L CA -1.019 53.930 54.840 0.182 0.000 0.814 38 L CB 1.541 43.704 42.059 0.174 0.000 1.257 38 L HN 0.455 nan 8.230 nan 0.000 0.424 39 R N 1.306 121.892 120.500 0.144 0.000 2.774 39 R HA 0.594 4.934 4.340 -0.000 0.000 0.272 39 R C -1.440 174.985 176.300 0.208 0.000 1.000 39 R CA -0.894 55.292 56.100 0.142 0.000 0.906 39 R CB 2.387 32.727 30.300 0.067 0.000 1.227 39 R HN 0.491 nan 8.270 nan 0.000 0.468 40 S N 1.327 117.128 115.700 0.169 0.000 2.473 40 S HA 0.438 4.908 4.470 -0.000 0.000 0.307 40 S C -0.778 173.935 174.600 0.189 0.000 1.094 40 S CA -0.782 57.513 58.200 0.158 0.000 1.070 40 S CB 1.913 65.166 63.200 0.088 0.000 1.019 40 S HN 0.237 nan 8.310 nan 0.000 0.480 41 E N 2.573 122.925 120.200 0.253 0.000 2.199 41 E HA 0.369 4.719 4.350 -0.000 0.000 0.265 41 E C -0.161 176.537 176.600 0.165 0.000 0.882 41 E CA -0.457 56.077 56.400 0.224 0.000 0.759 41 E CB 1.956 31.840 29.700 0.307 0.000 1.148 41 E HN 0.713 nan 8.360 nan 0.000 0.412 42 T N -0.610 114.011 114.554 0.111 0.000 2.874 42 T HA 0.553 4.903 4.350 -0.000 0.000 0.281 42 T C 0.302 175.057 174.700 0.091 0.000 0.994 42 T CA -0.642 61.505 62.100 0.079 0.000 1.015 42 T CB 1.053 69.946 68.868 0.042 0.000 1.028 42 T HN 0.116 nan 8.240 nan 0.000 0.523 43 S N 0.970 116.721 115.700 0.086 0.000 2.594 43 S HA 0.689 5.159 4.470 -0.000 0.000 0.296 43 S C -0.602 174.028 174.600 0.050 0.000 1.124 43 S CA -0.892 57.384 58.200 0.128 0.000 1.011 43 S CB 1.498 64.851 63.200 0.255 0.000 1.016 43 S HN 1.105 nan 8.310 nan 0.000 0.485 44 T N 1.209 115.672 114.554 -0.153 0.000 2.937 44 T HA 0.735 5.085 4.350 -0.000 0.000 0.297 44 T C -1.412 172.976 174.700 -0.520 0.000 0.991 44 T CA -0.521 61.465 62.100 -0.188 0.000 0.990 44 T CB 0.572 69.350 68.868 -0.149 0.000 0.991 44 T HN 0.413 nan 8.240 nan 0.000 0.440 45 Y N 1.279 121.583 120.300 0.008 0.000 2.504 45 Y HA 0.557 5.107 4.550 -0.000 0.000 0.344 45 Y C -0.259 175.618 175.900 -0.039 0.000 1.023 45 Y CA -1.213 56.878 58.100 -0.015 0.000 1.020 45 Y CB 2.411 40.856 38.460 -0.025 0.000 1.282 45 Y HN 0.588 nan 8.280 nan 0.000 0.454 46 N N 3.918 122.673 118.700 0.092 0.000 2.706 46 N HA 0.379 5.119 4.740 -0.000 0.000 0.240 46 N C -1.331 174.189 175.510 0.018 0.000 1.039 46 N CA -0.299 52.768 53.050 0.027 0.000 0.888 46 N CB 1.042 39.530 38.487 0.002 0.000 1.128 46 N HN 0.546 nan 8.380 nan 0.000 0.512 47 L N 0.857 122.055 121.223 -0.042 0.000 2.350 47 L HA 0.410 4.750 4.340 -0.000 0.000 0.275 47 L C 0.809 177.652 176.870 -0.044 0.000 1.099 47 L CA -0.282 54.505 54.840 -0.088 0.000 0.808 47 L CB 0.697 42.534 42.059 -0.371 0.000 1.149 47 L HN 0.154 nan 8.230 nan 0.000 0.442 48 T N 1.708 116.287 114.554 0.042 0.000 2.837 48 T HA 0.349 4.699 4.350 -0.000 0.000 0.285 48 T C 0.016 174.786 174.700 0.118 0.000 0.984 48 T CA -0.473 61.660 62.100 0.054 0.000 1.049 48 T CB 1.760 70.659 68.868 0.052 0.000 0.947 48 T HN 0.203 nan 8.240 nan 0.000 0.472 49 V N 3.451 123.413 119.914 0.080 0.000 2.530 49 V HA 0.455 4.575 4.120 -0.000 0.000 0.282 49 V C 1.232 177.404 176.094 0.130 0.000 1.048 49 V CA -0.278 62.110 62.300 0.147 0.000 0.997 49 V CB 1.061 32.939 31.823 0.093 0.000 0.987 49 V HN 1.050 nan 8.190 nan 0.000 0.477 50 G N 2.890 111.783 108.800 0.155 0.000 2.611 50 G HA2 0.158 4.118 3.960 -0.000 0.000 0.273 50 G HA3 0.158 4.118 3.960 -0.000 0.000 0.273 50 G C 0.674 175.614 174.900 0.068 0.000 1.305 50 G CA 0.220 45.374 45.100 0.090 0.000 1.010 50 G HN 0.830 nan 8.290 nan 0.000 0.509 51 D N -1.496 118.927 120.400 0.038 0.000 2.310 51 D HA -0.146 4.494 4.640 -0.000 0.000 0.212 51 D C 2.135 178.445 176.300 0.017 0.000 0.965 51 D CA 1.543 55.558 54.000 0.024 0.000 0.879 51 D CB -0.783 40.024 40.800 0.012 0.000 0.921 51 D HN 0.425 nan 8.370 nan 0.000 0.510 52 T N -4.173 110.389 114.554 0.012 0.000 3.100 52 T HA 0.318 4.668 4.350 -0.000 0.000 0.253 52 T C 1.823 176.530 174.700 0.012 0.000 1.118 52 T CA 0.431 62.526 62.100 -0.007 0.000 1.058 52 T CB -0.291 68.553 68.868 -0.040 0.000 0.953 52 T HN 0.363 nan 8.240 nan 0.000 0.515 53 G N 0.355 109.192 108.800 0.061 0.000 2.155 53 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 53 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 53 G C 0.102 175.098 174.900 0.159 0.000 0.983 53 G CA 0.344 45.511 45.100 0.112 0.000 0.676 53 G HN 0.899 nan 8.290 nan 0.000 0.528 54 S N -1.064 114.676 115.700 0.066 0.000 2.568 54 S HA 0.920 5.389 4.470 -0.000 0.000 0.293 54 S C 0.225 174.631 174.600 -0.324 0.000 1.089 54 S CA 0.711 58.832 58.200 -0.133 0.000 0.945 54 S CB 1.909 65.022 63.200 -0.146 0.000 1.077 54 S HN 1.821 nan 8.310 nan 0.000 0.485 55 G N 0.973 109.219 108.800 -0.922 0.000 2.495 55 G HA2 0.556 4.515 3.960 -0.000 0.000 0.294 55 G HA3 0.556 4.515 3.960 -0.000 0.000 0.294 55 G C -2.445 172.175 174.900 -0.468 0.000 1.397 55 G CA -0.571 44.156 45.100 -0.622 0.000 0.790 55 G HN 0.869 nan 8.290 nan 0.000 0.486 56 L N -0.113 121.126 121.223 0.028 0.000 2.464 56 L HA 0.794 5.134 4.340 -0.000 0.000 0.266 56 L C -1.269 175.695 176.870 0.157 0.000 0.965 56 L CA -0.639 54.231 54.840 0.050 0.000 0.833 56 L CB 1.777 43.744 42.059 -0.154 0.000 1.296 56 L HN 0.502 nan 8.230 nan 0.000 0.405 57 I N 5.400 126.014 120.570 0.073 0.000 2.339 57 I HA 0.445 4.615 4.170 -0.000 0.000 0.290 57 I C -0.632 175.270 176.117 -0.359 0.000 0.994 57 I CA -0.860 60.354 61.300 -0.144 0.000 1.191 57 I CB 1.863 39.670 38.000 -0.322 0.000 1.343 57 I HN 0.262 nan 8.210 nan 0.000 0.458 58 V N 7.225 126.877 119.914 -0.437 0.000 2.383 58 V HA 0.356 4.475 4.120 -0.000 0.000 0.275 58 V C -0.272 175.350 176.094 -0.787 0.000 1.036 58 V CA -0.317 61.659 62.300 -0.540 0.000 0.889 58 V CB 0.765 32.270 31.823 -0.531 0.000 0.985 58 V HN 0.398 nan 8.190 nan 0.000 0.459 59 F N 4.030 123.700 119.950 -0.466 0.000 2.458 59 F HA 0.568 5.095 4.527 -0.000 0.000 0.330 59 F C 0.038 175.530 175.800 -0.515 0.000 1.082 59 F CA -0.571 57.180 58.000 -0.415 0.000 0.995 59 F CB 1.752 40.656 39.000 -0.160 0.000 1.170 59 F HN 0.359 nan 8.300 nan 0.000 0.478 60 F N 4.016 124.141 119.950 0.291 0.000 2.334 60 F HA 0.254 4.781 4.527 -0.000 0.000 0.343 60 F C -1.499 174.445 175.800 0.240 0.000 1.136 60 F CA -1.771 56.371 58.000 0.236 0.000 1.237 60 F CB 0.242 39.374 39.000 0.220 0.000 1.525 60 F HN 0.295 nan 8.300 nan 0.000 0.528 61 P HA -0.192 nan 4.420 nan 0.000 0.217 61 P C 1.399 178.798 177.300 0.165 0.000 1.151 61 P CA 1.601 64.789 63.100 0.146 0.000 0.849 61 P CB 0.259 31.996 31.700 0.061 0.000 0.787 62 G N -1.958 106.965 108.800 0.204 0.000 3.371 62 G HA2 0.065 4.025 3.960 -0.000 0.000 0.248 62 G HA3 0.065 4.025 3.960 -0.000 0.000 0.248 62 G C -0.169 174.869 174.900 0.229 0.000 1.161 62 G CA -0.463 44.737 45.100 0.167 0.000 0.796 62 G HN 0.145 nan 8.290 nan 0.000 0.539 63 F N 3.145 123.220 119.950 0.208 0.000 2.571 63 F HA 0.239 4.766 4.527 -0.000 0.000 0.384 63 F C -1.483 174.447 175.800 0.217 0.000 1.058 63 F CA -2.343 55.781 58.000 0.205 0.000 1.200 63 F CB 1.016 40.147 39.000 0.218 0.000 1.077 63 F HN -0.021 nan 8.300 nan 0.000 0.558 64 P HA 0.321 nan 4.420 nan 0.000 0.231 64 P C -0.098 177.139 177.300 -0.104 0.000 1.811 64 P CA 0.328 63.352 63.100 -0.126 0.000 1.051 64 P CB 0.203 31.761 31.700 -0.236 0.000 1.951 65 G N 0.485 109.502 108.800 0.362 0.000 2.351 65 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.279 65 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.279 65 G C 0.272 175.488 174.900 0.526 0.000 1.297 65 G CA -0.409 44.896 45.100 0.342 0.000 0.886 65 G HN -0.053 nan 8.290 nan 0.000 0.493 66 S N -0.334 115.565 115.700 0.332 0.000 2.607 66 S HA 0.204 4.674 4.470 -0.000 0.000 0.224 66 S C 1.013 175.715 174.600 0.170 0.000 0.969 66 S CA 0.236 58.582 58.200 0.244 0.000 0.927 66 S CB -0.341 62.943 63.200 0.140 0.000 0.772 66 S HN 0.360 nan 8.310 nan 0.000 0.533 67 I N 1.447 122.007 120.570 -0.016 0.000 2.322 67 I HA 0.136 4.306 4.170 -0.000 0.000 0.292 67 I C 0.856 176.946 176.117 -0.046 0.000 1.060 67 I CA -0.168 60.947 61.300 -0.309 0.000 1.309 67 I CB 1.282 38.652 38.000 -1.051 0.000 1.415 67 I HN -0.050 nan 8.210 nan 0.000 0.492 68 V N 5.488 125.496 119.914 0.156 0.000 3.085 68 V HA 0.396 4.516 4.120 -0.000 0.000 0.245 68 V C 0.966 177.290 176.094 0.383 0.000 1.114 68 V CA 1.067 63.555 62.300 0.313 0.000 1.108 68 V CB 0.422 32.434 31.823 0.316 0.000 0.798 68 V HN 0.970 nan 8.190 nan 0.000 0.471 69 G N -1.116 107.809 108.800 0.208 0.000 2.341 69 G HA2 0.649 4.609 3.960 -0.000 0.000 0.299 69 G HA3 0.649 4.609 3.960 -0.000 0.000 0.299 69 G C -1.858 172.991 174.900 -0.084 0.000 1.274 69 G CA 0.124 45.186 45.100 -0.063 0.000 0.853 69 G HN 0.613 nan 8.290 nan 0.000 0.493 70 A N -0.514 122.169 122.820 -0.227 0.000 2.520 70 A HA 0.788 5.108 4.320 -0.000 0.000 0.298 70 A C -1.176 176.259 177.584 -0.249 0.000 1.051 70 A CA -0.453 51.495 52.037 -0.148 0.000 0.690 70 A CB 1.442 20.485 19.000 0.072 0.000 1.281 70 A HN 1.155 nan 8.150 nan 0.000 0.402 71 H N 1.301 120.082 119.070 -0.482 0.000 2.457 71 H HA 0.660 5.216 4.556 -0.000 0.000 0.335 71 H C -1.708 173.330 175.328 -0.483 0.000 1.115 71 H CA -0.283 55.544 56.048 -0.369 0.000 1.219 71 H CB 0.885 30.462 29.762 -0.308 0.000 1.471 71 H HN 0.617 nan 8.280 nan 0.000 0.491 72 Y N 1.666 121.735 120.300 -0.385 0.000 2.477 72 Y HA 0.192 4.742 4.550 -0.000 0.000 0.347 72 Y C 0.207 175.950 175.900 -0.262 0.000 0.981 72 Y CA -0.826 57.124 58.100 -0.250 0.000 1.033 72 Y CB 2.254 40.736 38.460 0.037 0.000 1.245 72 Y HN 0.581 nan 8.280 nan 0.000 0.455 73 T N 0.284 114.830 114.554 -0.013 0.000 2.902 73 T HA 0.577 4.927 4.350 -0.000 0.000 0.283 73 T C -0.939 173.831 174.700 0.118 0.000 1.009 73 T CA -0.808 61.309 62.100 0.028 0.000 1.051 73 T CB 1.569 70.434 68.868 -0.005 0.000 0.999 73 T HN 0.430 nan 8.240 nan 0.000 0.474 74 L N 2.472 123.697 121.223 0.002 0.000 2.265 74 L HA 0.365 4.704 4.340 -0.000 0.000 0.288 74 L C 0.139 176.929 176.870 -0.134 0.000 1.058 74 L CA 0.007 54.728 54.840 -0.199 0.000 0.809 74 L CB 0.718 42.601 42.059 -0.294 0.000 1.179 74 L HN 0.733 nan 8.230 nan 0.000 0.429 75 Q N 2.515 122.229 119.800 -0.143 0.000 2.260 75 Q HA 0.258 4.597 4.340 -0.000 0.000 0.238 75 Q C 1.161 177.101 176.000 -0.101 0.000 0.948 75 Q CA -0.292 55.458 55.803 -0.089 0.000 0.895 75 Q CB 1.063 29.763 28.738 -0.063 0.000 1.218 75 Q HN 0.762 nan 8.270 nan 0.000 0.470 76 S N 1.566 117.226 115.700 -0.067 0.000 2.420 76 S HA -0.165 4.305 4.470 -0.000 0.000 0.237 76 S C 1.287 175.843 174.600 -0.072 0.000 1.023 76 S CA 1.580 59.742 58.200 -0.063 0.000 0.991 76 S CB -0.266 62.909 63.200 -0.043 0.000 0.792 76 S HN 0.713 nan 8.310 nan 0.000 0.488 77 N N 0.855 119.510 118.700 -0.074 0.000 2.449 77 N HA 0.119 4.859 4.740 -0.000 0.000 0.191 77 N C 1.041 176.491 175.510 -0.099 0.000 1.161 77 N CA 0.928 53.934 53.050 -0.074 0.000 0.863 77 N CB -0.353 38.098 38.487 -0.061 0.000 0.980 77 N HN 0.417 nan 8.380 nan 0.000 0.458 78 G N -0.541 108.179 108.800 -0.134 0.000 2.225 78 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.254 78 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.254 78 G C -0.186 174.565 174.900 -0.248 0.000 0.988 78 G CA 0.039 45.030 45.100 -0.181 0.000 0.625 78 G HN 0.500 nan 8.290 nan 0.000 0.527 79 N N -0.179 118.400 118.700 -0.202 0.000 2.495 79 N HA 0.597 5.337 4.740 -0.000 0.000 0.280 79 N C -0.247 175.126 175.510 -0.228 0.000 1.168 79 N CA -0.284 52.649 53.050 -0.196 0.000 0.978 79 N CB 0.545 38.970 38.487 -0.103 0.000 1.191 79 N HN 0.235 nan 8.380 nan 0.000 0.497 80 Y N 0.181 120.423 120.300 -0.096 0.000 2.316 80 Y HA 0.287 4.837 4.550 -0.000 0.000 0.324 80 Y C 0.868 176.811 175.900 0.071 0.000 1.267 80 Y CA -0.097 57.999 58.100 -0.007 0.000 1.311 80 Y CB 1.137 39.587 38.460 -0.017 0.000 1.267 80 Y HN 0.217 nan 8.280 nan 0.000 0.516 81 K N 2.759 123.364 120.400 0.341 0.000 2.541 81 K HA 0.253 4.573 4.320 -0.000 0.000 0.250 81 K C -1.507 175.281 176.600 0.314 0.000 0.950 81 K CA -0.739 55.710 56.287 0.270 0.000 0.805 81 K CB 0.826 33.400 32.500 0.123 0.000 1.166 81 K HN 0.551 nan 8.250 nan 0.000 0.430 82 F N 3.951 124.014 119.950 0.189 0.000 2.608 82 F HA -0.028 4.499 4.527 -0.000 0.000 0.380 82 F C 0.844 176.551 175.800 -0.155 0.000 1.083 82 F CA 0.770 58.708 58.000 -0.104 0.000 1.266 82 F CB 0.786 39.752 39.000 -0.056 0.000 1.076 82 F HN 0.823 nan 8.300 nan 0.000 0.574 83 D N 2.491 122.237 120.400 -1.090 0.000 2.845 83 D HA 0.122 4.762 4.640 -0.000 0.000 0.272 83 D C -0.548 175.053 176.300 -1.164 0.000 1.275 83 D CA 0.981 54.500 54.000 -0.802 0.000 1.029 83 D CB 0.204 40.695 40.800 -0.516 0.000 1.131 83 D HN 0.690 nan 8.370 nan 0.000 0.423 84 Q N -1.198 117.845 119.800 -1.261 0.000 2.687 84 Q HA 0.334 4.674 4.340 -0.000 0.000 0.295 84 Q C -1.177 174.556 176.000 -0.444 0.000 0.920 84 Q CA -1.029 54.303 55.803 -0.784 0.000 0.766 84 Q CB 1.073 29.625 28.738 -0.309 0.000 1.467 84 Q HN -0.025 nan 8.270 nan 0.000 0.415 85 M N 1.422 120.977 119.600 -0.075 0.000 2.247 85 M HA 0.451 4.931 4.480 -0.000 0.000 0.326 85 M C -0.573 175.572 176.300 -0.259 0.000 1.134 85 M CA -0.302 54.978 55.300 -0.033 0.000 1.136 85 M CB 0.336 32.984 32.600 0.080 0.000 1.454 85 M HN 0.623 nan 8.290 nan 0.000 0.467 86 L N 3.790 124.841 121.223 -0.287 0.000 2.298 86 L HA 0.578 4.918 4.340 -0.000 0.000 0.284 86 L C -0.515 176.329 176.870 -0.043 0.000 1.013 86 L CA -0.378 54.136 54.840 -0.544 0.000 0.824 86 L CB 0.877 42.639 42.059 -0.495 0.000 1.221 86 L HN 0.582 nan 8.230 nan 0.000 0.418 87 L N 1.193 122.544 121.223 0.213 0.000 2.293 87 L HA 0.672 5.012 4.340 -0.000 0.000 0.264 87 L C 0.666 177.735 176.870 0.332 0.000 1.029 87 L CA -0.812 54.183 54.840 0.258 0.000 0.897 87 L CB 1.902 44.085 42.059 0.207 0.000 1.497 87 L HN 0.563 nan 8.230 nan 0.000 0.495 88 T N -2.705 111.995 114.554 0.243 0.000 2.824 88 T HA 0.434 4.784 4.350 -0.000 0.000 0.277 88 T C 0.987 175.778 174.700 0.150 0.000 0.975 88 T CA -0.085 62.145 62.100 0.216 0.000 0.966 88 T CB 1.404 70.408 68.868 0.228 0.000 1.054 88 T HN 0.615 nan 8.240 nan 0.000 0.533 89 A N 0.645 123.529 122.820 0.107 0.000 1.908 89 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 89 A C 1.286 178.908 177.584 0.063 0.000 1.181 89 A CA 1.449 53.519 52.037 0.055 0.000 0.627 89 A CB -0.861 18.165 19.000 0.042 0.000 0.818 89 A HN 0.965 nan 8.150 nan 0.000 0.445 90 Q N -1.565 118.283 119.800 0.081 0.000 2.416 90 Q HA 0.514 4.854 4.340 -0.000 0.000 0.279 90 Q C -1.030 175.017 176.000 0.079 0.000 1.101 90 Q CA -1.022 54.824 55.803 0.072 0.000 0.830 90 Q CB 0.719 29.499 28.738 0.071 0.000 1.402 90 Q HN 0.138 nan 8.270 nan 0.000 0.445 91 N N 1.261 120.001 118.700 0.066 0.000 2.415 91 N HA 0.132 4.872 4.740 -0.000 0.000 0.250 91 N C 0.432 175.981 175.510 0.065 0.000 1.127 91 N CA -0.045 53.043 53.050 0.063 0.000 0.945 91 N CB 0.320 38.836 38.487 0.049 0.000 1.196 91 N HN 0.791 nan 8.380 nan 0.000 0.499 92 L N 4.361 125.620 121.223 0.061 0.000 2.043 92 L HA -0.133 4.206 4.340 -0.000 0.000 0.212 92 L C -0.655 176.282 176.870 0.113 0.000 1.075 92 L CA 1.382 56.274 54.840 0.086 0.000 0.752 92 L CB -1.185 40.828 42.059 -0.076 0.000 0.891 92 L HN 0.499 nan 8.230 nan 0.000 0.432 93 P HA -0.151 nan 4.420 nan 0.000 0.223 93 P C 1.122 178.426 177.300 0.006 0.000 1.144 93 P CA 1.382 64.498 63.100 0.028 0.000 0.783 93 P CB 0.014 31.724 31.700 0.016 0.000 0.771 94 A N -1.508 121.317 122.820 0.007 0.000 2.119 94 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 94 A C 2.015 179.551 177.584 -0.080 0.000 1.152 94 A CA 1.464 53.486 52.037 -0.025 0.000 0.708 94 A CB -0.508 18.483 19.000 -0.014 0.000 0.805 94 A HN 0.112 nan 8.150 nan 0.000 0.460 95 S N -2.530 113.100 115.700 -0.118 0.000 2.589 95 S HA 0.357 4.827 4.470 -0.000 0.000 0.235 95 S C -0.459 173.796 174.600 -0.576 0.000 1.051 95 S CA -0.248 57.726 58.200 -0.376 0.000 0.978 95 S CB 0.131 63.014 63.200 -0.529 0.000 0.929 95 S HN 0.514 nan 8.310 nan 0.000 0.523 96 Y N 0.735 121.016 120.300 -0.031 0.000 2.576 96 Y HA 0.500 5.050 4.550 -0.000 0.000 0.346 96 Y C 0.617 176.487 175.900 -0.050 0.000 1.018 96 Y CA -1.100 56.988 58.100 -0.021 0.000 1.050 96 Y CB 1.093 39.541 38.460 -0.021 0.000 1.280 96 Y HN -0.161 nan 8.280 nan 0.000 0.474 97 N N -0.241 118.538 118.700 0.131 0.000 2.348 97 N HA 0.112 4.852 4.740 -0.000 0.000 0.183 97 N C -1.273 174.061 175.510 -0.293 0.000 1.094 97 N CA 0.377 53.363 53.050 -0.108 0.000 0.885 97 N CB 0.555 38.965 38.487 -0.130 0.000 1.065 97 N HN 0.527 nan 8.380 nan 0.000 0.472 98 Y N -1.143 119.225 120.300 0.114 0.000 2.553 98 Y HA 0.548 5.098 4.550 -0.000 0.000 0.347 98 Y C -0.360 175.636 175.900 0.159 0.000 1.019 98 Y CA -1.150 57.031 58.100 0.135 0.000 1.032 98 Y CB 2.203 40.761 38.460 0.164 0.000 1.284 98 Y HN -0.156 nan 8.280 nan 0.000 0.466 99 C N 2.271 121.745 119.300 0.289 0.000 3.239 99 C HA 0.833 5.293 4.460 -0.000 0.000 0.329 99 C C -1.728 173.205 174.990 -0.095 0.000 1.252 99 C CA -0.693 58.372 59.018 0.079 0.000 1.323 99 C CB 1.852 29.570 27.740 -0.038 0.000 1.663 99 C HN 1.021 nan 8.230 nan 0.000 0.487 100 R N 2.572 122.995 120.500 -0.129 0.000 2.584 100 R HA 0.655 4.995 4.340 -0.000 0.000 0.276 100 R C -1.656 174.678 176.300 0.057 0.000 1.046 100 R CA -0.658 55.338 56.100 -0.173 0.000 0.906 100 R CB 1.730 31.694 30.300 -0.560 0.000 1.215 100 R HN 0.762 nan 8.270 nan 0.000 0.449 101 L N 4.646 125.922 121.223 0.089 0.000 2.319 101 L HA 0.229 4.568 4.340 -0.000 0.000 0.280 101 L C 0.046 176.923 176.870 0.011 0.000 1.099 101 L CA 0.456 55.303 54.840 0.013 0.000 0.828 101 L CB 1.599 43.674 42.059 0.026 0.000 1.150 101 L HN 0.624 nan 8.230 nan 0.000 0.442 102 V N 2.628 122.514 119.914 -0.047 0.000 2.581 102 V HA 0.279 4.399 4.120 -0.000 0.000 0.240 102 V C 0.595 176.740 176.094 0.086 0.000 1.054 102 V CA 1.112 63.468 62.300 0.093 0.000 1.076 102 V CB 0.059 31.936 31.823 0.090 0.000 0.748 102 V HN 0.943 nan 8.190 nan 0.000 0.474 103 S N -0.195 115.462 115.700 -0.072 0.000 2.578 103 S HA 0.749 5.219 4.470 -0.000 0.000 0.272 103 S C -0.924 173.584 174.600 -0.153 0.000 1.145 103 S CA -0.891 57.256 58.200 -0.088 0.000 0.835 103 S CB 2.790 65.922 63.200 -0.113 0.000 1.104 103 S HN 0.502 nan 8.310 nan 0.000 0.458 104 R N 0.279 120.705 120.500 -0.123 0.000 2.604 104 R HA 0.694 5.034 4.340 -0.000 0.000 0.261 104 R C -1.850 174.364 176.300 -0.143 0.000 1.080 104 R CA -0.011 56.007 56.100 -0.136 0.000 0.917 104 R CB 1.656 31.881 30.300 -0.125 0.000 1.252 104 R HN 1.401 nan 8.270 nan 0.000 0.456 105 S N 3.517 119.120 115.700 -0.161 0.000 2.537 105 S HA 0.731 5.201 4.470 -0.000 0.000 0.270 105 S C -1.397 173.068 174.600 -0.224 0.000 1.142 105 S CA -0.847 57.219 58.200 -0.223 0.000 0.870 105 S CB 1.716 64.767 63.200 -0.248 0.000 1.112 105 S HN 0.451 nan 8.310 nan 0.000 0.466 106 L N 1.918 122.962 121.223 -0.299 0.000 2.445 106 L HA 0.758 5.097 4.340 -0.000 0.000 0.262 106 L C -0.247 176.489 176.870 -0.224 0.000 0.974 106 L CA -0.531 54.148 54.840 -0.268 0.000 0.822 106 L CB 2.861 44.636 42.059 -0.472 0.000 1.339 106 L HN 1.020 nan 8.230 nan 0.000 0.409 107 T N -0.591 113.897 114.554 -0.111 0.000 2.888 107 T HA 0.824 5.174 4.350 -0.000 0.000 0.284 107 T C -0.689 174.018 174.700 0.012 0.000 1.017 107 T CA -0.794 61.270 62.100 -0.060 0.000 1.022 107 T CB 1.868 70.715 68.868 -0.036 0.000 1.013 107 T HN 0.208 nan 8.240 nan 0.000 0.465 108 V N 3.769 123.706 119.914 0.039 0.000 2.483 108 V HA 0.781 4.901 4.120 -0.000 0.000 0.297 108 V C -0.089 176.029 176.094 0.041 0.000 1.027 108 V CA -0.918 61.423 62.300 0.068 0.000 0.855 108 V CB 1.096 33.000 31.823 0.135 0.000 0.995 108 V HN 1.181 nan 8.190 nan 0.000 0.424 109 R N 2.131 122.639 120.500 0.014 0.000 2.692 109 R HA 0.670 5.010 4.340 -0.000 0.000 0.269 109 R C -0.969 175.316 176.300 -0.025 0.000 1.030 109 R CA -0.549 55.556 56.100 0.007 0.000 0.882 109 R CB 1.793 32.105 30.300 0.021 0.000 1.250 109 R HN 0.518 nan 8.270 nan 0.000 0.465 110 S N 0.065 115.748 115.700 -0.028 0.000 2.565 110 S HA 0.159 4.628 4.470 -0.000 0.000 0.276 110 S C 0.592 175.180 174.600 -0.020 0.000 1.326 110 S CA 0.069 58.243 58.200 -0.044 0.000 1.045 110 S CB 0.735 63.913 63.200 -0.037 0.000 0.918 110 S HN 0.690 nan 8.310 nan 0.000 0.505 111 S N 2.161 117.846 115.700 -0.025 0.000 2.603 111 S HA 0.174 4.644 4.470 -0.000 0.000 0.232 111 S C 0.491 175.083 174.600 -0.013 0.000 1.016 111 S CA -0.208 57.984 58.200 -0.014 0.000 0.976 111 S CB 0.339 63.530 63.200 -0.015 0.000 0.921 111 S HN 0.646 nan 8.310 nan 0.000 0.516 112 T N 3.423 117.968 114.554 -0.015 0.000 3.390 112 T HA 0.567 4.917 4.350 -0.000 0.000 0.351 112 T C -0.705 173.993 174.700 -0.003 0.000 1.759 112 T CA -0.810 61.283 62.100 -0.011 0.000 1.561 112 T CB -0.961 67.899 68.868 -0.015 0.000 1.011 112 T HN 0.331 nan 8.240 nan 0.000 0.689 113 L N 2.023 123.247 121.223 0.002 0.000 2.289 113 L HA 0.772 5.112 4.340 -0.000 0.000 0.285 113 L C -2.634 174.246 176.870 0.016 0.000 1.049 113 L CA -2.624 52.226 54.840 0.016 0.000 0.804 113 L CB -0.483 41.589 42.059 0.023 0.000 1.195 113 L HN 0.050 nan 8.230 nan 0.000 0.428 114 P HA 0.336 nan 4.420 nan 0.000 0.265 114 P C 0.949 178.277 177.300 0.047 0.000 1.222 114 P CA 0.719 63.852 63.100 0.054 0.000 0.767 114 P CB 0.937 32.688 31.700 0.085 0.000 0.801 115 G N 2.654 111.437 108.800 -0.029 0.000 2.232 115 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.226 115 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.226 115 G C 0.906 175.658 174.900 -0.245 0.000 0.996 115 G CA 0.161 45.158 45.100 -0.172 0.000 0.626 115 G HN 1.048 nan 8.290 nan 0.000 0.509 116 G N -1.919 106.787 108.800 -0.157 0.000 2.241 116 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.244 116 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.244 116 G C 1.647 176.461 174.900 -0.142 0.000 0.998 116 G CA 2.220 47.242 45.100 -0.130 0.000 0.621 116 G HN 2.272 nan 8.290 nan 0.000 0.519 117 V N -4.451 115.324 119.914 -0.231 0.000 3.221 117 V HA 0.432 4.552 4.120 -0.000 0.000 0.254 117 V C 1.019 177.107 176.094 -0.011 0.000 1.586 117 V CA -0.081 62.127 62.300 -0.154 0.000 1.074 117 V CB -0.425 31.274 31.823 -0.207 0.000 0.912 117 V HN 0.385 nan 8.190 nan 0.000 0.426 118 Y N 2.557 122.863 120.300 0.010 0.000 2.537 118 Y HA 0.573 5.123 4.550 -0.000 0.000 0.339 118 Y C 1.108 177.016 175.900 0.013 0.000 1.066 118 Y CA -0.091 58.016 58.100 0.012 0.000 1.357 118 Y CB 0.834 39.301 38.460 0.011 0.000 1.175 118 Y HN 0.331 nan 8.280 nan 0.000 0.525 119 A N 6.880 129.812 122.820 0.187 0.000 2.915 119 A HA 0.322 4.642 4.320 -0.000 0.000 0.292 119 A C -0.138 177.501 177.584 0.092 0.000 1.632 119 A CA -0.144 51.958 52.037 0.108 0.000 1.337 119 A CB -0.465 18.587 19.000 0.086 0.000 1.111 119 A HN 0.792 nan 8.150 nan 0.000 0.569 120 L N 3.292 124.571 121.223 0.093 0.000 2.511 120 L HA 0.281 4.621 4.340 -0.000 0.000 0.252 120 L C -0.473 176.427 176.870 0.051 0.000 1.542 120 L CA -0.015 54.863 54.840 0.063 0.000 0.822 120 L CB 0.092 42.184 42.059 0.054 0.000 1.050 120 L HN 1.004 nan 8.230 nan 0.000 0.516 121 N N -0.294 118.433 118.700 0.044 0.000 2.976 121 N HA 0.504 5.244 4.740 -0.000 0.000 0.220 121 N C -0.177 175.355 175.510 0.038 0.000 1.428 121 N CA -0.281 52.790 53.050 0.036 0.000 0.748 121 N CB 1.491 39.997 38.487 0.031 0.000 1.484 121 N HN 0.289 nan 8.380 nan 0.000 0.578 122 G N 0.694 109.517 108.800 0.038 0.000 2.612 122 G HA2 0.175 4.135 3.960 -0.000 0.000 0.686 122 G HA3 0.175 4.135 3.960 -0.000 0.000 0.686 122 G C -0.618 174.327 174.900 0.075 0.000 1.274 122 G CA -0.463 44.666 45.100 0.049 0.000 0.849 122 G HN 1.120 nan 8.290 nan 0.000 0.595 123 T N -2.126 112.488 114.554 0.100 0.000 2.883 123 T HA 0.804 5.154 4.350 -0.000 0.000 0.296 123 T C -0.341 174.544 174.700 0.309 0.000 1.117 123 T CA -0.783 61.421 62.100 0.173 0.000 1.006 123 T CB 2.187 71.162 68.868 0.178 0.000 1.191 123 T HN 1.090 nan 8.240 nan 0.000 0.508 124 I N 1.724 122.486 120.570 0.319 0.000 2.509 124 I HA 0.495 4.665 4.170 -0.000 0.000 0.293 124 I C -0.865 175.367 176.117 0.192 0.000 1.020 124 I CA -1.032 60.470 61.300 0.336 0.000 1.088 124 I CB 2.199 40.331 38.000 0.219 0.000 1.267 124 I HN 0.568 nan 8.210 nan 0.000 0.430 125 N N 3.929 122.628 118.700 -0.002 0.000 2.284 125 N HA 0.819 5.559 4.740 -0.000 0.000 0.300 125 N C -1.258 174.184 175.510 -0.112 0.000 1.047 125 N CA -0.480 52.429 53.050 -0.235 0.000 0.821 125 N CB 2.389 40.440 38.487 -0.726 0.000 1.337 125 N HN 0.716 nan 8.380 nan 0.000 0.482 126 A N 0.723 123.502 122.820 -0.069 0.000 2.515 126 A HA 0.800 5.120 4.320 -0.000 0.000 0.298 126 A C -1.343 176.217 177.584 -0.040 0.000 1.059 126 A CA -0.671 51.351 52.037 -0.024 0.000 0.698 126 A CB 1.530 20.548 19.000 0.031 0.000 1.289 126 A HN 0.425 nan 8.150 nan 0.000 0.404 127 V N 0.589 120.489 119.914 -0.023 0.000 3.120 127 V HA 0.776 4.896 4.120 -0.000 0.000 0.303 127 V C -1.005 175.103 176.094 0.024 0.000 1.238 127 V CA -0.200 62.092 62.300 -0.014 0.000 1.008 127 V CB 2.588 34.399 31.823 -0.020 0.000 1.064 127 V HN 1.024 nan 8.190 nan 0.000 0.434 128 T N 6.117 120.689 114.554 0.030 0.000 2.788 128 T HA 0.486 4.836 4.350 -0.000 0.000 0.296 128 T C -0.978 173.786 174.700 0.107 0.000 1.009 128 T CA 0.050 62.183 62.100 0.054 0.000 0.949 128 T CB 0.558 69.430 68.868 0.006 0.000 0.946 128 T HN 0.529 nan 8.240 nan 0.000 0.453 129 F N 3.005 122.940 119.950 -0.026 0.000 2.410 129 F HA 0.311 4.837 4.527 -0.000 0.000 0.349 129 F C 1.186 176.983 175.800 -0.004 0.000 1.117 129 F CA -0.959 57.030 58.000 -0.018 0.000 1.104 129 F CB 1.256 40.246 39.000 -0.018 0.000 1.122 129 F HN 0.502 nan 8.300 nan 0.000 0.483 130 Q N 4.184 123.613 119.800 -0.618 0.000 2.387 130 Q HA 0.190 4.529 4.340 -0.000 0.000 0.211 130 Q C 0.598 176.173 176.000 -0.709 0.000 0.952 130 Q CA 0.213 55.700 55.803 -0.528 0.000 0.957 130 Q CB 0.109 28.645 28.738 -0.338 0.000 1.002 130 Q HN 0.888 nan 8.270 nan 0.000 0.502 131 G N -0.037 108.017 108.800 -1.244 0.000 3.209 131 G HA2 0.461 4.421 3.960 -0.000 0.000 0.236 131 G HA3 0.461 4.421 3.960 -0.000 0.000 0.236 131 G C -0.663 174.254 174.900 0.028 0.000 1.329 131 G CA -0.532 44.248 45.100 -0.533 0.000 1.015 131 G HN 0.202 nan 8.290 nan 0.000 0.571 132 S N -0.882 114.968 115.700 0.250 0.000 2.722 132 S HA 0.402 4.872 4.470 -0.000 0.000 0.292 132 S C 1.261 176.073 174.600 0.354 0.000 1.135 132 S CA -0.579 57.801 58.200 0.300 0.000 1.003 132 S CB 1.610 64.953 63.200 0.237 0.000 1.067 132 S HN 0.613 nan 8.310 nan 0.000 0.546 133 L N 2.023 123.410 121.223 0.274 0.000 2.011 133 L HA -0.202 4.138 4.340 -0.000 0.000 0.225 133 L C 2.538 179.480 176.870 0.120 0.000 1.084 133 L CA 2.863 57.783 54.840 0.134 0.000 0.791 133 L CB -1.638 40.469 42.059 0.082 0.000 0.898 133 L HN 1.022 nan 8.230 nan 0.000 0.440 134 S N -1.806 113.993 115.700 0.165 0.000 2.537 134 S HA -0.144 4.326 4.470 -0.000 0.000 0.240 134 S C 1.570 176.248 174.600 0.129 0.000 0.981 134 S CA 1.114 59.401 58.200 0.145 0.000 0.948 134 S CB -0.675 62.596 63.200 0.118 0.000 0.759 134 S HN 0.703 nan 8.310 nan 0.000 0.531 135 E N 0.350 120.664 120.200 0.191 0.000 2.442 135 E HA 0.236 4.586 4.350 -0.000 0.000 0.195 135 E C -0.085 176.558 176.600 0.071 0.000 1.030 135 E CA -0.199 56.339 56.400 0.230 0.000 0.869 135 E CB -0.042 29.904 29.700 0.410 0.000 0.857 135 E HN 0.540 nan 8.360 nan 0.000 0.505 136 L N 1.678 122.779 121.223 -0.203 0.000 2.490 136 L HA -0.026 4.314 4.340 -0.000 0.000 0.274 136 L C 1.743 178.489 176.870 -0.206 0.000 1.201 136 L CA 0.204 54.728 54.840 -0.527 0.000 0.869 136 L CB 0.766 42.502 42.059 -0.539 0.000 1.123 136 L HN 0.153 nan 8.230 nan 0.000 0.484 137 T N -2.524 111.920 114.554 -0.184 0.000 3.067 137 T HA 0.033 4.383 4.350 -0.000 0.000 0.257 137 T C 0.264 174.923 174.700 -0.068 0.000 1.105 137 T CA 0.057 62.111 62.100 -0.076 0.000 1.104 137 T CB 0.116 68.962 68.868 -0.037 0.000 0.925 137 T HN 0.543 nan 8.240 nan 0.000 0.498 138 D N 0.811 121.153 120.400 -0.097 0.000 2.891 138 D HA 0.260 4.900 4.640 -0.000 0.000 0.224 138 D C 0.026 176.294 176.300 -0.053 0.000 1.321 138 D CA -0.705 53.263 54.000 -0.053 0.000 0.929 138 D CB 2.191 42.964 40.800 -0.045 0.000 1.551 138 D HN 0.075 nan 8.370 nan 0.000 0.574 139 V N 1.480 121.405 119.914 0.018 0.000 3.085 139 V HA 0.342 4.462 4.120 -0.000 0.000 0.345 139 V C 0.679 176.861 176.094 0.147 0.000 1.397 139 V CA -0.140 62.195 62.300 0.059 0.000 1.165 139 V CB -0.582 31.331 31.823 0.151 0.000 1.153 139 V HN 0.455 nan 8.190 nan 0.000 0.495 140 S N -0.933 114.824 115.700 0.095 0.000 2.603 140 S HA 0.355 4.824 4.470 -0.000 0.000 0.268 140 S C 0.806 175.471 174.600 0.108 0.000 1.317 140 S CA 0.041 58.312 58.200 0.117 0.000 1.012 140 S CB 0.966 64.205 63.200 0.065 0.000 0.926 140 S HN 0.420 nan 8.310 nan 0.000 0.539 141 Y N 2.347 122.666 120.300 0.032 0.000 2.069 141 Y HA -0.272 4.278 4.550 -0.000 0.000 0.278 141 Y C 2.109 178.016 175.900 0.011 0.000 1.175 141 Y CA 2.596 60.707 58.100 0.019 0.000 1.134 141 Y CB -0.508 37.955 38.460 0.004 0.000 0.965 141 Y HN 0.715 nan 8.280 nan 0.000 0.498 142 N N -0.348 118.401 118.700 0.082 0.000 2.300 142 N HA -0.059 4.681 4.740 -0.000 0.000 0.179 142 N C 2.012 177.494 175.510 -0.047 0.000 1.016 142 N CA 1.088 54.133 53.050 -0.008 0.000 0.876 142 N CB -0.726 37.812 38.487 0.086 0.000 0.979 142 N HN 0.535 nan 8.380 nan 0.000 0.432 143 G N 1.656 110.443 108.800 -0.023 0.000 2.432 143 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.219 143 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.219 143 G C 1.675 176.536 174.900 -0.064 0.000 1.135 143 G CA 0.206 45.286 45.100 -0.034 0.000 0.767 143 G HN 0.201 nan 8.290 nan 0.000 0.550 144 L N 0.233 121.402 121.223 -0.090 0.000 2.127 144 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 144 L C 2.784 179.599 176.870 -0.092 0.000 1.089 144 L CA 0.588 55.363 54.840 -0.108 0.000 0.757 144 L CB -0.326 41.653 42.059 -0.134 0.000 0.899 144 L HN 0.154 nan 8.230 nan 0.000 0.434 145 M N -1.235 118.306 119.600 -0.100 0.000 2.530 145 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 145 M C 1.901 178.174 176.300 -0.045 0.000 1.067 145 M CA 1.238 56.491 55.300 -0.078 0.000 1.071 145 M CB -1.071 31.480 32.600 -0.081 0.000 1.405 145 M HN 0.107 nan 8.290 nan 0.000 0.478 146 S N -0.301 115.377 115.700 -0.037 0.000 2.539 146 S HA 0.308 4.778 4.470 -0.000 0.000 0.221 146 S C 1.828 176.432 174.600 0.007 0.000 0.987 146 S CA 0.350 58.541 58.200 -0.015 0.000 0.929 146 S CB 0.201 63.392 63.200 -0.015 0.000 0.832 146 S HN 0.504 nan 8.310 nan 0.000 0.492 147 A N 1.299 124.122 122.820 0.004 0.000 2.076 147 A HA 0.013 4.333 4.320 -0.000 0.000 0.220 147 A C 1.322 179.022 177.584 0.193 0.000 1.160 147 A CA 1.449 53.527 52.037 0.068 0.000 0.653 147 A CB -0.152 18.847 19.000 -0.003 0.000 0.801 147 A HN 0.401 nan 8.150 nan 0.000 0.455 148 T N -3.926 110.687 114.554 0.098 0.000 2.883 148 T HA 0.557 4.907 4.350 -0.000 0.000 0.301 148 T C 0.315 175.027 174.700 0.020 0.000 1.158 148 T CA 0.095 62.235 62.100 0.068 0.000 1.007 148 T CB 1.726 70.621 68.868 0.045 0.000 1.186 148 T HN 0.437 nan 8.240 nan 0.000 0.499 149 A N 2.630 125.452 122.820 0.003 0.000 2.267 149 A HA 0.318 4.638 4.320 -0.000 0.000 0.213 149 A C 0.620 178.188 177.584 -0.028 0.000 1.192 149 A CA -0.085 51.946 52.037 -0.011 0.000 0.851 149 A CB -0.177 18.817 19.000 -0.010 0.000 0.881 149 A HN 0.708 nan 8.150 nan 0.000 0.494 150 N N 0.911 119.590 118.700 -0.035 0.000 2.416 150 N HA 0.098 4.837 4.740 -0.000 0.000 0.265 150 N C 0.628 176.097 175.510 -0.068 0.000 1.195 150 N CA -0.220 52.798 53.050 -0.054 0.000 0.943 150 N CB 1.150 39.600 38.487 -0.062 0.000 1.115 150 N HN 0.203 nan 8.380 nan 0.000 0.481 151 I N 2.352 122.878 120.570 -0.073 0.000 2.361 151 I HA -0.174 3.996 4.170 -0.000 0.000 0.251 151 I C 1.121 177.161 176.117 -0.128 0.000 1.133 151 I CA 1.239 62.487 61.300 -0.086 0.000 1.413 151 I CB -0.152 37.802 38.000 -0.077 0.000 1.073 151 I HN 0.400 nan 8.210 nan 0.000 0.424 152 N N 0.651 119.262 118.700 -0.150 0.000 2.449 152 N HA -0.013 4.727 4.740 -0.000 0.000 0.191 152 N C 0.132 175.507 175.510 -0.225 0.000 1.161 152 N CA 0.440 53.355 53.050 -0.225 0.000 0.863 152 N CB -0.016 38.325 38.487 -0.244 0.000 0.980 152 N HN 0.421 nan 8.380 nan 0.000 0.458 153 D N 0.347 120.657 120.400 -0.151 0.000 2.571 153 D HA 0.085 4.725 4.640 -0.000 0.000 0.239 153 D C 0.127 176.374 176.300 -0.088 0.000 1.267 153 D CA 0.165 54.094 54.000 -0.117 0.000 0.823 153 D CB 0.792 41.545 40.800 -0.078 0.000 1.056 153 D HN 0.396 nan 8.370 nan 0.000 0.494 154 K N -0.258 120.080 120.400 -0.105 0.000 2.532 154 K HA 0.673 4.993 4.320 -0.000 0.000 0.265 154 K C -1.547 174.998 176.600 -0.091 0.000 0.948 154 K CA -0.928 55.310 56.287 -0.081 0.000 0.842 154 K CB 2.591 35.052 32.500 -0.064 0.000 1.392 154 K HN -0.128 nan 8.250 nan 0.000 0.436 155 I N 0.501 121.029 120.570 -0.070 0.000 2.680 155 I HA 0.522 4.692 4.170 -0.000 0.000 0.291 155 I C -1.362 174.730 176.117 -0.041 0.000 1.244 155 I CA 0.036 61.305 61.300 -0.052 0.000 1.042 155 I CB 2.405 40.385 38.000 -0.034 0.000 1.277 155 I HN 0.875 nan 8.210 nan 0.000 0.423 156 G N 4.138 112.922 108.800 -0.026 0.000 2.495 156 G HA2 0.408 4.368 3.960 -0.000 0.000 0.318 156 G HA3 0.408 4.368 3.960 -0.000 0.000 0.318 156 G C -0.490 174.431 174.900 0.034 0.000 1.257 156 G CA -0.570 44.518 45.100 -0.019 0.000 0.962 156 G HN 0.692 nan 8.290 nan 0.000 0.483 157 N N -0.548 118.199 118.700 0.078 0.000 2.714 157 N HA -0.166 4.574 4.740 -0.000 0.000 0.252 157 N C 0.332 175.909 175.510 0.112 0.000 1.014 157 N CA 0.671 53.806 53.050 0.142 0.000 0.735 157 N CB -0.915 37.648 38.487 0.127 0.000 0.924 157 N HN 0.393 nan 8.380 nan 0.000 0.540 158 V N 0.991 120.971 119.914 0.110 0.000 2.614 158 V HA 0.130 4.250 4.120 -0.000 0.000 0.291 158 V C 1.405 177.564 176.094 0.107 0.000 1.049 158 V CA -0.570 61.789 62.300 0.097 0.000 1.038 158 V CB 1.120 33.000 31.823 0.095 0.000 0.980 158 V HN 0.172 nan 8.190 nan 0.000 0.481 159 L N 4.521 125.797 121.223 0.088 0.000 2.455 159 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 159 L C 1.530 178.450 176.870 0.083 0.000 1.174 159 L CA 0.079 54.968 54.840 0.082 0.000 0.869 159 L CB 0.651 42.750 42.059 0.066 0.000 1.130 159 L HN 0.509 nan 8.230 nan 0.000 0.474 160 V N 4.218 124.182 119.914 0.083 0.000 2.453 160 V HA -0.250 3.870 4.120 -0.000 0.000 0.252 160 V C 2.101 178.223 176.094 0.046 0.000 1.068 160 V CA 2.524 64.864 62.300 0.067 0.000 1.070 160 V CB -0.402 31.453 31.823 0.053 0.000 0.664 160 V HN 1.092 nan 8.190 nan 0.000 0.461 161 G N -1.629 107.201 108.800 0.050 0.000 2.421 161 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 161 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 161 G C 1.432 176.363 174.900 0.051 0.000 1.143 161 G CA 0.715 45.843 45.100 0.047 0.000 0.784 161 G HN 0.585 nan 8.290 nan 0.000 0.541 162 E N -0.402 119.834 120.200 0.061 0.000 2.076 162 E HA 0.300 4.650 4.350 -0.000 0.000 0.190 162 E C 1.429 178.069 176.600 0.066 0.000 0.979 162 E CA 0.303 56.742 56.400 0.065 0.000 0.807 162 E CB 0.049 29.792 29.700 0.072 0.000 0.761 162 E HN 0.438 nan 8.360 nan 0.000 0.454 163 G N 0.415 109.256 108.800 0.068 0.000 2.746 163 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.685 163 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.685 163 G C -0.372 174.577 174.900 0.081 0.000 1.350 163 G CA -0.437 44.703 45.100 0.068 0.000 0.837 163 G HN 0.382 nan 8.290 nan 0.000 0.564 164 V N -2.592 117.368 119.914 0.076 0.000 2.864 164 V HA 0.956 5.076 4.120 -0.000 0.000 0.314 164 V C 0.248 176.360 176.094 0.031 0.000 1.073 164 V CA -0.390 61.959 62.300 0.081 0.000 0.956 164 V CB 2.008 33.885 31.823 0.090 0.000 1.023 164 V HN 1.296 nan 8.190 nan 0.000 0.435 165 T N 2.318 116.880 114.554 0.014 0.000 2.792 165 T HA 0.608 4.958 4.350 -0.000 0.000 0.280 165 T C -0.457 174.180 174.700 -0.105 0.000 0.990 165 T CA -0.358 61.653 62.100 -0.148 0.000 0.960 165 T CB 1.593 70.207 68.868 -0.423 0.000 0.939 165 T HN 0.643 nan 8.240 nan 0.000 0.439 166 V N 4.661 124.457 119.914 -0.197 0.000 2.370 166 V HA 0.507 4.627 4.120 -0.000 0.000 0.279 166 V C -0.415 175.542 176.094 -0.227 0.000 1.029 166 V CA -0.754 61.439 62.300 -0.179 0.000 0.870 166 V CB 1.218 32.843 31.823 -0.331 0.000 0.984 166 V HN 0.642 nan 8.190 nan 0.000 0.451 167 L N 4.902 126.063 121.223 -0.103 0.000 2.333 167 L HA 0.601 4.941 4.340 -0.000 0.000 0.280 167 L C 0.222 177.065 176.870 -0.045 0.000 1.004 167 L CA 0.320 55.097 54.840 -0.105 0.000 0.820 167 L CB 2.127 44.194 42.059 0.013 0.000 1.247 167 L HN 0.581 nan 8.230 nan 0.000 0.416 168 S N 5.864 121.525 115.700 -0.064 0.000 2.455 168 S HA 0.539 5.009 4.470 -0.000 0.000 0.278 168 S C -0.228 174.370 174.600 -0.003 0.000 1.216 168 S CA -0.329 57.853 58.200 -0.030 0.000 1.055 168 S CB -0.066 63.115 63.200 -0.030 0.000 0.939 168 S HN 0.490 nan 8.310 nan 0.000 0.494 169 L N 5.468 126.689 121.223 -0.003 0.000 2.325 169 L HA 0.501 4.841 4.340 -0.000 0.000 0.278 169 L C -1.741 175.108 176.870 -0.035 0.000 1.023 169 L CA -2.335 52.506 54.840 0.001 0.000 0.811 169 L CB 1.075 43.130 42.059 -0.007 0.000 1.249 169 L HN 0.399 nan 8.230 nan 0.000 0.431 170 P HA 0.009 nan 4.420 nan 0.000 0.266 170 P C -0.419 176.736 177.300 -0.242 0.000 1.193 170 P CA -0.033 62.925 63.100 -0.236 0.000 0.770 170 P CB 0.456 31.790 31.700 -0.610 0.000 0.836 171 T N -2.123 112.279 114.554 -0.254 0.000 3.514 171 T HA 0.468 4.818 4.350 -0.000 0.000 0.259 171 T C -0.167 174.374 174.700 -0.265 0.000 1.466 171 T CA -0.621 61.353 62.100 -0.210 0.000 1.562 171 T CB -0.753 68.031 68.868 -0.140 0.000 0.924 171 T HN 0.730 nan 8.240 nan 0.000 0.678 172 S N 0.288 115.773 115.700 -0.358 0.000 2.922 172 S HA -0.077 4.393 4.470 -0.000 0.000 0.854 172 S C -1.086 173.275 174.600 -0.398 0.000 0.921 172 S CA -0.793 57.209 58.200 -0.329 0.000 1.418 172 S CB -0.861 62.208 63.200 -0.218 0.000 1.015 172 S HN 0.638 nan 8.310 nan 0.000 0.230 173 Y N 1.609 121.874 120.300 -0.058 0.000 2.699 173 Y HA 0.500 5.050 4.550 -0.000 0.000 0.326 173 Y C 1.114 176.977 175.900 -0.061 0.000 1.141 173 Y CA -0.388 57.676 58.100 -0.061 0.000 1.246 173 Y CB 0.668 39.092 38.460 -0.059 0.000 1.426 173 Y HN 0.809 nan 8.280 nan 0.000 0.559 174 D N 0.831 121.328 120.400 0.162 0.000 2.772 174 D HA -0.184 4.456 4.640 -0.000 0.000 0.233 174 D C -1.007 175.326 176.300 0.055 0.000 1.143 174 D CA 0.756 54.803 54.000 0.077 0.000 0.700 174 D CB -1.044 39.791 40.800 0.060 0.000 1.076 174 D HN 0.275 nan 8.370 nan 0.000 0.430 175 L N -0.162 121.091 121.223 0.051 0.000 2.439 175 L HA 0.471 4.811 4.340 -0.000 0.000 0.261 175 L C 1.780 178.733 176.870 0.137 0.000 1.153 175 L CA -0.039 54.816 54.840 0.024 0.000 0.808 175 L CB 0.906 42.935 42.059 -0.050 0.000 1.126 175 L HN 0.031 nan 8.230 nan 0.000 0.460 176 G N -0.174 108.779 108.800 0.256 0.000 2.528 176 G HA2 0.300 4.260 3.960 -0.000 0.000 0.289 176 G HA3 0.300 4.260 3.960 -0.000 0.000 0.289 176 G C -1.038 174.021 174.900 0.265 0.000 1.192 176 G CA -0.363 44.900 45.100 0.272 0.000 0.921 176 G HN 0.287 nan 8.290 nan 0.000 0.512 177 Y N -0.935 119.413 120.300 0.080 0.000 2.457 177 Y HA 0.297 4.846 4.550 -0.000 0.000 0.341 177 Y C 0.843 176.774 175.900 0.051 0.000 1.240 177 Y CA 0.169 58.306 58.100 0.061 0.000 1.437 177 Y CB 1.150 39.614 38.460 0.006 0.000 1.328 177 Y HN 0.146 nan 8.280 nan 0.000 0.588 178 V N 4.199 124.154 119.914 0.069 0.000 2.513 178 V HA 0.381 4.501 4.120 -0.000 0.000 0.299 178 V C -0.171 175.946 176.094 0.038 0.000 1.035 178 V CA -1.210 61.020 62.300 -0.117 0.000 0.889 178 V CB 1.613 33.124 31.823 -0.520 0.000 0.988 178 V HN 0.555 nan 8.190 nan 0.000 0.440 179 R N 2.978 123.456 120.500 -0.038 0.000 2.537 179 R HA 0.230 4.570 4.340 -0.000 0.000 0.280 179 R C 0.545 176.726 176.300 -0.198 0.000 1.058 179 R CA 0.303 56.232 56.100 -0.284 0.000 1.057 179 R CB 0.197 30.350 30.300 -0.245 0.000 0.973 179 R HN 0.702 nan 8.270 nan 0.000 0.438 180 L N 3.352 124.453 121.223 -0.203 0.000 2.591 180 L HA 0.209 4.549 4.340 -0.000 0.000 0.228 180 L C 1.043 177.881 176.870 -0.054 0.000 1.133 180 L CA 0.683 55.464 54.840 -0.099 0.000 0.880 180 L CB 0.024 42.047 42.059 -0.062 0.000 1.033 180 L HN 1.087 nan 8.230 nan 0.000 0.450 181 G N 0.833 109.587 108.800 -0.077 0.000 2.182 181 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 181 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 181 G C -0.066 174.809 174.900 -0.042 0.000 1.042 181 G CA 0.235 45.310 45.100 -0.042 0.000 0.775 181 G HN 0.547 nan 8.290 nan 0.000 0.501 182 D N 0.310 120.667 120.400 -0.071 0.000 2.362 182 D HA 0.371 5.011 4.640 -0.000 0.000 0.242 182 D C -2.046 174.223 176.300 -0.051 0.000 1.132 182 D CA -1.340 52.625 54.000 -0.059 0.000 0.907 182 D CB 1.417 42.168 40.800 -0.082 0.000 1.195 182 D HN 0.257 nan 8.370 nan 0.000 0.429 183 P HA 0.207 nan 4.420 nan 0.000 0.274 183 P C -0.044 177.234 177.300 -0.037 0.000 1.237 183 P CA -0.426 62.655 63.100 -0.033 0.000 0.793 183 P CB 1.057 32.743 31.700 -0.024 0.000 0.977 184 I N -1.693 118.858 120.570 -0.033 0.000 2.797 184 I HA 0.623 4.792 4.170 -0.000 0.000 0.307 184 I C -2.628 173.475 176.117 -0.023 0.000 1.033 184 I CA -3.425 57.857 61.300 -0.030 0.000 1.071 184 I CB 1.301 39.282 38.000 -0.031 0.000 1.255 184 I HN 0.039 nan 8.210 nan 0.000 0.445 185 P HA 0.400 nan 4.420 nan 0.000 0.267 185 P C -0.897 176.394 177.300 -0.014 0.000 1.209 185 P CA 0.087 63.177 63.100 -0.016 0.000 0.763 185 P CB 0.774 32.465 31.700 -0.014 0.000 0.816 186 A N 3.076 125.889 122.820 -0.013 0.000 2.608 186 A HA 0.796 5.116 4.320 -0.000 0.000 0.292 186 A C -1.336 176.242 177.584 -0.010 0.000 1.066 186 A CA -0.645 51.385 52.037 -0.012 0.000 0.676 186 A CB 1.130 20.122 19.000 -0.013 0.000 1.277 186 A HN 0.552 nan 8.150 nan 0.000 0.413 187 I N -1.643 118.922 120.570 -0.009 0.000 2.752 187 I HA 0.914 5.084 4.170 -0.000 0.000 0.295 187 I C -0.157 175.956 176.117 -0.007 0.000 1.219 187 I CA -0.751 60.544 61.300 -0.007 0.000 1.030 187 I CB 2.126 40.122 38.000 -0.007 0.000 1.259 187 I HN 1.132 nan 8.210 nan 0.000 0.423 188 G N 3.788 112.584 108.800 -0.006 0.000 2.692 188 G HA2 0.503 4.463 3.960 -0.000 0.000 0.291 188 G HA3 0.503 4.463 3.960 -0.000 0.000 0.291 188 G C -0.125 174.771 174.900 -0.005 0.000 1.423 188 G CA -0.869 44.227 45.100 -0.006 0.000 0.843 188 G HN 0.704 nan 8.290 nan 0.000 0.486 189 L N -0.428 120.792 121.223 -0.005 0.000 2.201 189 L HA 0.053 4.393 4.340 -0.000 0.000 0.212 189 L C 0.841 177.709 176.870 -0.004 0.000 1.105 189 L CA 0.666 55.504 54.840 -0.005 0.000 0.775 189 L CB 0.080 42.136 42.059 -0.005 0.000 0.913 189 L HN 0.394 nan 8.230 nan 0.000 0.440 190 D N -0.076 120.321 120.400 -0.005 0.000 2.312 190 D HA 0.101 4.741 4.640 -0.000 0.000 0.252 190 D C -1.738 174.559 176.300 -0.004 0.000 1.150 190 D CA -2.017 51.981 54.000 -0.005 0.000 0.870 190 D CB 1.795 42.592 40.800 -0.005 0.000 1.153 190 D HN -0.123 nan 8.370 nan 0.000 0.457 191 P HA 0.014 nan 4.420 nan 0.000 0.229 191 P C 0.452 177.750 177.300 -0.002 0.000 1.160 191 P CA 0.829 63.927 63.100 -0.003 0.000 0.777 191 P CB 0.309 32.008 31.700 -0.002 0.000 0.814 192 K N -1.204 119.194 120.400 -0.002 0.000 2.458 192 K HA 0.134 4.454 4.320 -0.000 0.000 0.194 192 K C 0.930 177.528 176.600 -0.003 0.000 1.024 192 K CA -0.177 56.109 56.287 -0.002 0.000 1.108 192 K CB -0.156 32.343 32.500 -0.001 0.000 0.846 192 K HN 0.214 nan 8.250 nan 0.000 0.518 193 M N 2.139 121.736 119.600 -0.004 0.000 2.248 193 M HA 0.030 4.510 4.480 -0.000 0.000 0.345 193 M C -0.897 175.400 176.300 -0.006 0.000 1.243 193 M CA 0.674 55.971 55.300 -0.005 0.000 1.090 193 M CB 0.533 33.130 32.600 -0.006 0.000 1.683 193 M HN -0.206 nan 8.290 nan 0.000 0.450 194 V N 4.168 124.078 119.914 -0.006 0.000 2.709 194 V HA 0.839 4.959 4.120 -0.000 0.000 0.308 194 V C -0.696 175.391 176.094 -0.011 0.000 1.062 194 V CA -0.895 61.400 62.300 -0.007 0.000 0.901 194 V CB 1.655 33.475 31.823 -0.005 0.000 1.003 194 V HN 0.966 nan 8.190 nan 0.000 0.425 195 A N 2.792 125.603 122.820 -0.014 0.000 2.402 195 A HA 0.917 5.237 4.320 -0.000 0.000 0.291 195 A C -0.306 177.263 177.584 -0.025 0.000 1.051 195 A CA -0.186 51.840 52.037 -0.019 0.000 0.716 195 A CB 1.784 20.773 19.000 -0.018 0.000 1.223 195 A HN 1.072 nan 8.150 nan 0.000 0.425 196 T N -1.967 112.569 114.554 -0.031 0.000 2.865 196 T HA 0.610 4.960 4.350 -0.000 0.000 0.294 196 T C -0.702 173.965 174.700 -0.055 0.000 1.119 196 T CA -0.746 61.330 62.100 -0.040 0.000 1.007 196 T CB 1.404 70.253 68.868 -0.032 0.000 1.225 196 T HN 1.220 nan 8.240 nan 0.000 0.515 197 C N 2.425 121.682 119.300 -0.071 0.000 2.264 197 C HA 0.639 5.099 4.460 -0.000 0.000 0.324 197 C C -0.635 174.295 174.990 -0.100 0.000 1.267 197 C CA -0.437 58.528 59.018 -0.089 0.000 1.618 197 C CB -1.184 26.492 27.740 -0.107 0.000 2.278 197 C HN 0.873 nan 8.230 nan 0.000 0.499 198 D N 3.071 123.415 120.400 -0.092 0.000 2.294 198 D HA 0.298 4.938 4.640 -0.000 0.000 0.250 198 D C -0.022 176.238 176.300 -0.067 0.000 1.058 198 D CA 0.036 53.992 54.000 -0.073 0.000 0.950 198 D CB 1.399 42.160 40.800 -0.065 0.000 1.158 198 D HN 0.587 nan 8.370 nan 0.000 0.453 199 S N -0.085 115.587 115.700 -0.047 0.000 2.515 199 S HA 0.185 4.655 4.470 -0.000 0.000 0.285 199 S C 1.018 175.624 174.600 0.011 0.000 1.265 199 S CA -0.313 57.852 58.200 -0.058 0.000 1.079 199 S CB 0.362 63.511 63.200 -0.085 0.000 0.877 199 S HN 0.537 nan 8.310 nan 0.000 0.493 200 S N 0.883 116.594 115.700 0.018 0.000 2.882 200 S HA 0.127 4.597 4.470 -0.000 0.000 0.258 200 S C -0.373 174.282 174.600 0.092 0.000 1.081 200 S CA -0.497 57.748 58.200 0.076 0.000 0.886 200 S CB -0.470 62.748 63.200 0.032 0.000 0.855 200 S HN 0.553 nan 8.310 nan 0.000 0.467 201 D N 3.322 123.770 120.400 0.079 0.000 2.548 201 D HA 0.247 4.887 4.640 -0.000 0.000 0.231 201 D C 0.184 176.564 176.300 0.134 0.000 1.142 201 D CA 0.709 54.773 54.000 0.107 0.000 0.866 201 D CB 0.003 40.882 40.800 0.131 0.000 1.190 201 D HN 0.176 nan 8.370 nan 0.000 0.469 202 R N -0.593 119.975 120.500 0.113 0.000 3.184 202 R HA -0.105 4.235 4.340 -0.000 0.000 0.257 202 R C -2.439 173.906 176.300 0.076 0.000 0.999 202 R CA 0.015 56.173 56.100 0.098 0.000 0.670 202 R CB -1.923 28.465 30.300 0.146 0.000 1.197 202 R HN 0.462 nan 8.270 nan 0.000 0.419 203 P HA 0.055 nan 4.420 nan 0.000 0.272 203 P C -0.259 177.027 177.300 -0.023 0.000 1.223 203 P CA -0.027 63.092 63.100 0.031 0.000 0.784 203 P CB 0.705 32.430 31.700 0.041 0.000 0.923 204 R N 1.510 121.976 120.500 -0.057 0.000 2.407 204 R HA 0.534 4.874 4.340 -0.000 0.000 0.303 204 R C -1.366 174.827 176.300 -0.178 0.000 0.981 204 R CA -0.726 55.289 56.100 -0.142 0.000 0.905 204 R CB 0.924 31.133 30.300 -0.152 0.000 1.099 204 R HN 0.273 nan 8.270 nan 0.000 0.459 205 V N 5.306 125.073 119.914 -0.244 0.000 2.531 205 V HA 0.382 4.502 4.120 -0.000 0.000 0.301 205 V C -1.326 174.612 176.094 -0.259 0.000 1.034 205 V CA -0.683 61.514 62.300 -0.170 0.000 0.865 205 V CB 1.630 33.401 31.823 -0.088 0.000 0.995 205 V HN 0.696 nan 8.190 nan 0.000 0.424 206 Y N 1.738 122.019 120.300 -0.032 0.000 2.360 206 Y HA 0.615 5.165 4.550 -0.000 0.000 0.337 206 Y C 0.679 176.545 175.900 -0.057 0.000 1.039 206 Y CA -0.536 57.544 58.100 -0.034 0.000 1.109 206 Y CB 2.192 40.640 38.460 -0.020 0.000 1.201 206 Y HN 0.487 nan 8.280 nan 0.000 0.458 207 T N 5.233 119.833 114.554 0.077 0.000 2.792 207 T HA 0.601 4.951 4.350 -0.000 0.000 0.280 207 T C -0.578 174.082 174.700 -0.067 0.000 0.990 207 T CA -0.521 61.571 62.100 -0.014 0.000 0.960 207 T CB 0.289 69.135 68.868 -0.036 0.000 0.939 207 T HN 0.379 nan 8.240 nan 0.000 0.439 208 I N 2.796 123.272 120.570 -0.157 0.000 2.410 208 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 208 I C 0.155 176.071 176.117 -0.335 0.000 1.009 208 I CA -0.701 60.423 61.300 -0.294 0.000 1.111 208 I CB 1.969 39.670 38.000 -0.498 0.000 1.262 208 I HN 0.456 nan 8.210 nan 0.000 0.443 209 T N 5.679 120.070 114.554 -0.272 0.000 2.875 209 T HA 0.245 4.595 4.350 -0.000 0.000 0.307 209 T C 1.138 175.668 174.700 -0.283 0.000 1.013 209 T CA -0.264 61.700 62.100 -0.226 0.000 0.970 209 T CB 1.198 69.984 68.868 -0.137 0.000 0.986 209 T HN 0.763 nan 8.240 nan 0.000 0.536 210 A N 2.996 125.607 122.820 -0.348 0.000 2.015 210 A HA 0.538 4.858 4.320 -0.000 0.000 0.219 210 A C 1.211 178.728 177.584 -0.112 0.000 1.163 210 A CA 0.702 52.554 52.037 -0.308 0.000 0.646 210 A CB 0.067 18.962 19.000 -0.175 0.000 0.806 210 A HN 0.889 nan 8.150 nan 0.000 0.448 211 A N -0.956 121.813 122.820 -0.087 0.000 2.566 211 A HA 0.540 4.860 4.320 -0.000 0.000 0.297 211 A C -1.897 175.685 177.584 -0.004 0.000 1.059 211 A CA -0.245 51.788 52.037 -0.005 0.000 0.691 211 A CB 1.044 20.072 19.000 0.047 0.000 1.282 211 A HN 0.049 nan 8.150 nan 0.000 0.401 212 D N 2.143 122.573 120.400 0.051 0.000 2.405 212 D HA 0.373 5.013 4.640 -0.000 0.000 0.264 212 D C -0.659 175.688 176.300 0.079 0.000 1.240 212 D CA 0.243 54.264 54.000 0.035 0.000 0.893 212 D CB 0.174 40.986 40.800 0.020 0.000 1.198 212 D HN 0.475 nan 8.370 nan 0.000 0.514 213 D N 1.914 122.361 120.400 0.079 0.000 2.716 213 D HA -0.282 4.357 4.640 -0.000 0.000 0.239 213 D C -0.549 175.836 176.300 0.141 0.000 1.125 213 D CA 0.446 54.505 54.000 0.098 0.000 0.681 213 D CB -1.546 39.300 40.800 0.077 0.000 1.070 213 D HN 0.481 nan 8.370 nan 0.000 0.432 214 Y N 1.327 121.678 120.300 0.085 0.000 2.442 214 Y HA 0.192 4.742 4.550 -0.000 0.000 0.330 214 Y C 0.445 176.440 175.900 0.159 0.000 1.129 214 Y CA 0.124 58.295 58.100 0.119 0.000 1.365 214 Y CB 0.646 39.201 38.460 0.158 0.000 1.233 214 Y HN -0.075 nan 8.280 nan 0.000 0.529 215 Q N 7.643 127.013 119.800 -0.718 0.000 2.331 215 Q HA 0.187 4.527 4.340 -0.000 0.000 0.257 215 Q C -1.269 174.220 176.000 -0.851 0.000 0.957 215 Q CA -0.425 55.053 55.803 -0.543 0.000 0.923 215 Q CB 1.402 29.948 28.738 -0.320 0.000 1.212 215 Q HN 0.719 nan 8.270 nan 0.000 0.443 216 F N 1.379 120.851 119.950 -0.796 0.000 2.422 216 F HA 0.573 5.100 4.527 -0.000 0.000 0.333 216 F C -0.487 174.956 175.800 -0.595 0.000 1.095 216 F CA -0.587 56.890 58.000 -0.873 0.000 1.038 216 F CB 1.677 39.633 39.000 -1.741 0.000 1.156 216 F HN 0.357 nan 8.300 nan 0.000 0.483 217 S N 4.066 118.794 115.700 -1.619 0.000 2.592 217 S HA 0.626 5.096 4.470 -0.000 0.000 0.275 217 S C -1.470 172.538 174.600 -0.987 0.000 1.169 217 S CA -0.356 57.179 58.200 -1.107 0.000 0.958 217 S CB 1.057 63.935 63.200 -0.536 0.000 1.095 217 S HN 1.030 nan 8.310 nan 0.000 0.471 218 S N 2.757 118.043 115.700 -0.691 0.000 2.567 218 S HA 0.495 4.965 4.470 -0.000 0.000 0.270 218 S C -1.903 172.628 174.600 -0.116 0.000 1.152 218 S CA -0.622 57.376 58.200 -0.337 0.000 0.835 218 S CB 1.464 64.519 63.200 -0.243 0.000 1.115 218 S HN 0.700 nan 8.310 nan 0.000 0.459 219 Q N 1.810 121.581 119.800 -0.047 0.000 2.340 219 Q HA 0.217 4.557 4.340 -0.000 0.000 0.249 219 Q C -0.471 175.578 176.000 0.081 0.000 0.957 219 Q CA -0.084 55.737 55.803 0.030 0.000 0.882 219 Q CB 0.482 29.236 28.738 0.026 0.000 1.235 219 Q HN 0.758 nan 8.270 nan 0.000 0.439 220 Y N 1.579 121.896 120.300 0.029 0.000 2.546 220 Y HA -0.069 4.481 4.550 -0.000 0.000 0.351 220 Y C -0.299 175.627 175.900 0.045 0.000 1.266 220 Y CA 0.810 58.940 58.100 0.050 0.000 1.487 220 Y CB 0.669 39.156 38.460 0.044 0.000 1.365 220 Y HN 0.475 nan 8.280 nan 0.000 0.642 221 Q N 2.780 121.840 119.800 -1.233 0.000 2.378 221 Q HA 0.151 4.491 4.340 -0.000 0.000 0.262 221 Q C -1.388 173.975 176.000 -1.063 0.000 0.978 221 Q CA -0.757 54.544 55.803 -0.837 0.000 0.918 221 Q CB 2.093 30.632 28.738 -0.331 0.000 1.415 221 Q HN 0.800 nan 8.270 nan 0.000 0.409 222 S N -0.036 115.298 115.700 -0.609 0.000 2.537 222 S HA 0.359 4.829 4.470 -0.000 0.000 0.286 222 S C 1.132 175.644 174.600 -0.147 0.000 1.299 222 S CA 1.877 59.948 58.200 -0.215 0.000 1.067 222 S CB 0.120 63.334 63.200 0.023 0.000 0.864 222 S HN 0.943 nan 8.310 nan 0.000 0.494 223 G N 2.775 111.536 108.800 -0.066 0.000 2.217 223 G HA2 0.054 4.014 3.960 -0.000 0.000 0.246 223 G HA3 0.054 4.014 3.960 -0.000 0.000 0.246 223 G C 1.072 175.946 174.900 -0.044 0.000 0.990 223 G CA 0.211 45.288 45.100 -0.038 0.000 0.627 223 G HN 2.111 nan 8.290 nan 0.000 0.522 224 G N -2.330 106.418 108.800 -0.087 0.000 2.707 224 G HA2 0.297 4.257 3.960 -0.000 0.000 0.686 224 G HA3 0.297 4.257 3.960 -0.000 0.000 0.686 224 G C -0.513 174.372 174.900 -0.025 0.000 1.315 224 G CA 0.016 45.093 45.100 -0.037 0.000 0.832 224 G HN 1.509 nan 8.290 nan 0.000 0.573 225 V N 1.035 120.970 119.914 0.036 0.000 2.495 225 V HA 0.738 4.858 4.120 -0.000 0.000 0.298 225 V C 0.596 176.734 176.094 0.072 0.000 1.031 225 V CA -0.164 62.180 62.300 0.074 0.000 0.871 225 V CB 1.896 33.827 31.823 0.179 0.000 0.988 225 V HN 1.051 nan 8.190 nan 0.000 0.432 226 T N 6.540 121.130 114.554 0.060 0.000 2.859 226 T HA 0.750 5.100 4.350 -0.000 0.000 0.281 226 T C -0.298 174.445 174.700 0.071 0.000 1.005 226 T CA -0.189 61.941 62.100 0.050 0.000 1.025 226 T CB 1.092 69.978 68.868 0.030 0.000 0.977 226 T HN 0.666 nan 8.240 nan 0.000 0.458 227 I N -1.156 119.458 120.570 0.073 0.000 2.969 227 I HA 0.700 4.870 4.170 -0.000 0.000 0.307 227 I C -0.920 175.232 176.117 0.060 0.000 1.149 227 I CA -0.956 60.399 61.300 0.091 0.000 1.008 227 I CB 2.626 40.721 38.000 0.159 0.000 1.232 227 I HN 0.345 nan 8.210 nan 0.000 0.435 228 T N 4.422 118.995 114.554 0.032 0.000 2.874 228 T HA 0.275 4.624 4.350 -0.000 0.000 0.321 228 T C 0.660 175.357 174.700 -0.005 0.000 1.075 228 T CA -0.275 61.814 62.100 -0.019 0.000 0.966 228 T CB 1.153 69.982 68.868 -0.065 0.000 1.001 228 T HN 0.603 nan 8.240 nan 0.000 0.476 229 L N 4.265 125.501 121.223 0.021 0.000 2.079 229 L HA 0.175 4.515 4.340 -0.000 0.000 0.210 229 L C 0.201 177.152 176.870 0.136 0.000 1.081 229 L CA 1.851 56.731 54.840 0.067 0.000 0.752 229 L CB -0.206 41.965 42.059 0.187 0.000 0.896 229 L HN 0.726 nan 8.230 nan 0.000 0.433 230 F N -3.885 116.054 119.950 -0.019 0.000 2.773 230 F HA 0.612 5.139 4.527 -0.000 0.000 0.314 230 F C -0.810 174.983 175.800 -0.012 0.000 1.160 230 F CA -0.854 57.128 58.000 -0.030 0.000 0.920 230 F CB 0.648 39.624 39.000 -0.041 0.000 1.323 230 F HN -0.342 nan 8.300 nan 0.000 0.457 231 S N 1.208 117.023 115.700 0.192 0.000 2.614 231 S HA 0.879 5.349 4.470 -0.000 0.000 0.275 231 S C -1.455 173.268 174.600 0.205 0.000 1.161 231 S CA 0.166 58.405 58.200 0.066 0.000 0.969 231 S CB 1.106 64.295 63.200 -0.018 0.000 1.059 231 S HN 1.649 nan 8.310 nan 0.000 0.482 232 A N 4.040 126.978 122.820 0.195 0.000 2.475 232 A HA 0.691 5.011 4.320 -0.000 0.000 0.301 232 A C -0.800 176.790 177.584 0.010 0.000 1.059 232 A CA -0.925 51.178 52.037 0.110 0.000 0.710 232 A CB 1.158 20.229 19.000 0.119 0.000 1.288 232 A HN 0.841 nan 8.150 nan 0.000 0.408 233 N N 0.272 118.962 118.700 -0.018 0.000 2.472 233 N HA 0.597 5.337 4.740 -0.000 0.000 0.277 233 N C -0.530 174.880 175.510 -0.166 0.000 1.081 233 N CA -0.040 52.984 53.050 -0.043 0.000 0.973 233 N CB 0.796 39.291 38.487 0.012 0.000 1.105 233 N HN 0.661 nan 8.380 nan 0.000 0.470 234 I N -2.000 118.441 120.570 -0.216 0.000 3.102 234 I HA 0.552 4.722 4.170 -0.000 0.000 0.310 234 I C -1.572 174.482 176.117 -0.105 0.000 1.246 234 I CA -1.007 60.000 61.300 -0.488 0.000 0.979 234 I CB 2.596 40.134 38.000 -0.770 0.000 1.267 234 I HN 0.189 nan 8.210 nan 0.000 0.451 235 D N 2.283 122.721 120.400 0.063 0.000 2.498 235 D HA 0.758 5.398 4.640 -0.000 0.000 0.247 235 D C -1.134 175.241 176.300 0.125 0.000 1.070 235 D CA -0.263 53.814 54.000 0.128 0.000 0.842 235 D CB 2.495 43.408 40.800 0.189 0.000 1.361 235 D HN 0.916 nan 8.370 nan 0.000 0.484 236 A N 1.928 124.793 122.820 0.074 0.000 2.517 236 A HA 0.536 4.855 4.320 -0.000 0.000 0.297 236 A C -0.321 177.266 177.584 0.005 0.000 1.050 236 A CA -0.496 51.572 52.037 0.051 0.000 0.694 236 A CB 0.971 19.999 19.000 0.046 0.000 1.277 236 A HN 0.562 nan 8.150 nan 0.000 0.400 237 I N 0.395 120.951 120.570 -0.023 0.000 4.338 237 I HA 0.123 4.293 4.170 -0.000 0.000 0.315 237 I C 1.058 177.158 176.117 -0.029 0.000 1.262 237 I CA 1.039 62.284 61.300 -0.091 0.000 1.298 237 I CB 0.873 38.724 38.000 -0.247 0.000 1.257 237 I HN 0.808 nan 8.210 nan 0.000 0.444 238 T N -1.541 113.034 114.554 0.035 0.000 2.773 238 T HA 0.398 4.748 4.350 -0.000 0.000 0.278 238 T C 0.221 174.971 174.700 0.085 0.000 1.011 238 T CA -0.548 61.592 62.100 0.066 0.000 1.014 238 T CB 1.202 70.139 68.868 0.115 0.000 1.293 238 T HN 0.112 nan 8.240 nan 0.000 0.554 239 S N 0.692 116.459 115.700 0.111 0.000 2.599 239 S HA 0.301 4.771 4.470 -0.000 0.000 0.303 239 S C 0.067 174.814 174.600 0.246 0.000 1.267 239 S CA -0.397 57.904 58.200 0.169 0.000 1.055 239 S CB -1.104 62.199 63.200 0.171 0.000 0.790 239 S HN 1.161 nan 8.310 nan 0.000 0.500 240 L N -0.408 120.920 121.223 0.174 0.000 2.403 240 L HA 0.957 5.297 4.340 -0.000 0.000 0.253 240 L C -0.612 176.305 176.870 0.079 0.000 1.045 240 L CA -1.057 53.780 54.840 -0.004 0.000 0.845 240 L CB 1.936 43.989 42.059 -0.011 0.000 1.447 240 L HN 0.819 nan 8.230 nan 0.000 0.411 241 S N -0.153 115.544 115.700 -0.004 0.000 2.569 241 S HA 0.840 5.310 4.470 -0.000 0.000 0.280 241 S C -0.895 173.741 174.600 0.060 0.000 1.111 241 S CA -0.682 57.574 58.200 0.094 0.000 0.887 241 S CB 1.781 65.093 63.200 0.187 0.000 1.095 241 S HN 0.655 nan 8.310 nan 0.000 0.476 242 I N 1.520 122.147 120.570 0.095 0.000 2.447 242 I HA 0.672 4.842 4.170 -0.000 0.000 0.287 242 I C 0.440 176.638 176.117 0.136 0.000 1.023 242 I CA -0.543 60.822 61.300 0.108 0.000 1.083 242 I CB 1.904 39.997 38.000 0.155 0.000 1.245 242 I HN 0.951 nan 8.210 nan 0.000 0.434 243 G N 2.984 111.835 108.800 0.083 0.000 2.816 243 G HA2 0.881 4.841 3.960 -0.000 0.000 0.288 243 G HA3 0.881 4.841 3.960 -0.000 0.000 0.288 243 G C -0.436 174.470 174.900 0.010 0.000 1.334 243 G CA -0.477 44.677 45.100 0.091 0.000 0.978 243 G HN 1.012 nan 8.290 nan 0.000 0.493 244 G N -0.933 107.890 108.800 0.038 0.000 2.409 244 G HA2 0.471 4.431 3.960 -0.000 0.000 0.421 244 G HA3 0.471 4.431 3.960 -0.000 0.000 0.421 244 G C -0.650 174.280 174.900 0.050 0.000 1.259 244 G CA 0.309 45.391 45.100 -0.030 0.000 1.011 244 G HN 1.629 nan 8.290 nan 0.000 0.497 245 E N -1.493 118.700 120.200 -0.012 0.000 2.390 245 E HA 0.663 5.013 4.350 -0.000 0.000 0.280 245 E C -1.472 175.158 176.600 0.051 0.000 0.992 245 E CA -1.183 55.290 56.400 0.122 0.000 0.790 245 E CB 1.640 31.407 29.700 0.112 0.000 1.248 245 E HN 0.686 nan 8.360 nan 0.000 0.447 246 L N 1.634 122.967 121.223 0.183 0.000 2.334 246 L HA 0.620 4.960 4.340 -0.000 0.000 0.276 246 L C -0.779 176.086 176.870 -0.008 0.000 1.014 246 L CA -1.383 53.479 54.840 0.036 0.000 0.815 246 L CB 1.996 44.149 42.059 0.157 0.000 1.268 246 L HN 0.441 nan 8.230 nan 0.000 0.428 247 V N 2.423 122.195 119.914 -0.238 0.000 2.417 247 V HA 0.455 4.575 4.120 -0.000 0.000 0.291 247 V C -0.575 175.225 176.094 -0.490 0.000 1.024 247 V CA -0.502 61.671 62.300 -0.212 0.000 0.861 247 V CB 1.486 33.184 31.823 -0.209 0.000 0.985 247 V HN 0.362 nan 8.190 nan 0.000 0.436 248 F N 2.468 122.270 119.950 -0.248 0.000 2.492 248 F HA 0.637 5.163 4.527 -0.000 0.000 0.327 248 F C 0.373 176.073 175.800 -0.166 0.000 1.079 248 F CA -0.443 57.413 58.000 -0.240 0.000 0.967 248 F CB 1.514 40.333 39.000 -0.301 0.000 1.169 248 F HN 0.480 nan 8.300 nan 0.000 0.472 249 H N -0.290 118.919 119.070 0.232 0.000 2.637 249 H HA 0.615 5.171 4.556 -0.000 0.000 0.363 249 H C -0.793 174.676 175.328 0.236 0.000 1.131 249 H CA -0.858 55.297 56.048 0.178 0.000 1.183 249 H CB 2.401 32.238 29.762 0.126 0.000 1.637 249 H HN 0.592 nan 8.280 nan 0.000 0.531 250 T N 0.623 115.356 114.554 0.298 0.000 2.942 250 T HA 0.175 4.525 4.350 -0.000 0.000 0.327 250 T C 0.072 174.830 174.700 0.096 0.000 1.360 250 T CA -0.511 61.727 62.100 0.230 0.000 1.055 250 T CB 1.614 70.636 68.868 0.257 0.000 1.261 250 T HN 0.518 nan 8.240 nan 0.000 0.485 251 S N 1.280 117.026 115.700 0.076 0.000 2.511 251 S HA 0.268 4.738 4.470 -0.000 0.000 0.214 251 S C 0.498 175.094 174.600 -0.007 0.000 0.997 251 S CA -0.092 58.118 58.200 0.017 0.000 0.908 251 S CB 0.346 63.573 63.200 0.044 0.000 0.803 251 S HN 0.584 nan 8.310 nan 0.000 0.504 252 V N 3.462 123.400 119.914 0.040 0.000 2.607 252 V HA 0.233 4.353 4.120 -0.000 0.000 0.289 252 V C 0.130 176.232 176.094 0.013 0.000 1.053 252 V CA -0.533 61.815 62.300 0.080 0.000 0.996 252 V CB 0.718 32.618 31.823 0.130 0.000 0.995 252 V HN 0.434 nan 8.190 nan 0.000 0.476 253 H N 2.485 121.599 119.070 0.073 0.000 2.488 253 H HA 0.388 4.944 4.556 -0.000 0.000 0.347 253 H C 1.208 176.575 175.328 0.064 0.000 1.174 253 H CA 0.545 56.630 56.048 0.062 0.000 1.307 253 H CB 1.572 31.359 29.762 0.041 0.000 1.517 253 H HN 0.936 nan 8.280 nan 0.000 0.554 254 G N 1.791 110.692 108.800 0.169 0.000 2.148 254 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.254 254 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.254 254 G C 0.140 175.103 174.900 0.106 0.000 0.981 254 G CA 0.012 45.182 45.100 0.118 0.000 0.670 254 G HN 0.423 nan 8.290 nan 0.000 0.528 255 L N 0.288 121.576 121.223 0.110 0.000 2.371 255 L HA 0.689 5.029 4.340 -0.000 0.000 0.272 255 L C 0.672 177.573 176.870 0.051 0.000 1.124 255 L CA -0.038 54.874 54.840 0.119 0.000 0.816 255 L CB 1.526 43.693 42.059 0.179 0.000 1.129 255 L HN 0.367 nan 8.230 nan 0.000 0.448 256 A N 4.247 127.087 122.820 0.034 0.000 2.414 256 A HA 0.836 5.155 4.320 -0.000 0.000 0.306 256 A C -0.958 176.577 177.584 -0.082 0.000 1.054 256 A CA -0.560 51.455 52.037 -0.037 0.000 0.724 256 A CB 1.451 20.441 19.000 -0.018 0.000 1.267 256 A HN 0.624 nan 8.150 nan 0.000 0.418 257 L N 1.427 122.539 121.223 -0.186 0.000 2.334 257 L HA 0.566 4.906 4.340 -0.000 0.000 0.273 257 L C -1.032 175.719 176.870 -0.198 0.000 1.013 257 L CA -0.918 53.772 54.840 -0.251 0.000 0.816 257 L CB 2.004 43.743 42.059 -0.534 0.000 1.278 257 L HN 0.576 nan 8.230 nan 0.000 0.431 258 D N 1.935 122.243 120.400 -0.155 0.000 2.505 258 D HA 0.666 5.306 4.640 -0.000 0.000 0.249 258 D C -0.891 175.334 176.300 -0.125 0.000 1.082 258 D CA -0.133 53.792 54.000 -0.125 0.000 0.839 258 D CB 2.528 43.283 40.800 -0.075 0.000 1.317 258 D HN 0.594 nan 8.370 nan 0.000 0.497 259 A N 1.590 124.322 122.820 -0.146 0.000 2.393 259 A HA 0.767 5.087 4.320 -0.000 0.000 0.306 259 A C -0.598 176.900 177.584 -0.144 0.000 1.050 259 A CA -0.545 51.420 52.037 -0.120 0.000 0.724 259 A CB 1.652 20.566 19.000 -0.143 0.000 1.248 259 A HN 0.351 nan 8.150 nan 0.000 0.424 260 T N 2.732 117.225 114.554 -0.102 0.000 2.916 260 T HA 0.502 4.852 4.350 -0.000 0.000 0.298 260 T C -0.600 173.965 174.700 -0.225 0.000 1.031 260 T CA -0.360 61.607 62.100 -0.222 0.000 0.993 260 T CB 1.049 69.738 68.868 -0.298 0.000 1.045 260 T HN 0.477 nan 8.240 nan 0.000 0.454 261 I N 2.922 123.320 120.570 -0.287 0.000 2.392 261 I HA 0.440 4.610 4.170 -0.000 0.000 0.295 261 I C -0.932 174.975 176.117 -0.350 0.000 0.985 261 I CA -0.746 60.464 61.300 -0.150 0.000 1.221 261 I CB 1.259 39.258 38.000 -0.002 0.000 1.366 261 I HN 0.673 nan 8.210 nan 0.000 0.467 262 Y N 5.546 125.814 120.300 -0.054 0.000 2.409 262 Y HA 0.515 5.064 4.550 -0.000 0.000 0.343 262 Y C -0.214 175.659 175.900 -0.044 0.000 0.973 262 Y CA -0.754 57.316 58.100 -0.050 0.000 1.064 262 Y CB 1.842 40.264 38.460 -0.064 0.000 1.207 262 Y HN 0.253 nan 8.280 nan 0.000 0.452 263 L N 5.207 126.497 121.223 0.112 0.000 2.298 263 L HA 0.498 4.838 4.340 -0.000 0.000 0.284 263 L C -0.907 175.997 176.870 0.056 0.000 1.013 263 L CA -0.621 54.254 54.840 0.059 0.000 0.824 263 L CB 0.875 42.952 42.059 0.030 0.000 1.221 263 L HN 0.486 nan 8.230 nan 0.000 0.418 264 I N 2.115 122.708 120.570 0.038 0.000 2.437 264 I HA 0.441 4.611 4.170 -0.000 0.000 0.298 264 I C 0.894 177.027 176.117 0.025 0.000 0.984 264 I CA -0.196 61.118 61.300 0.023 0.000 1.214 264 I CB 1.558 39.556 38.000 -0.004 0.000 1.365 264 I HN 0.531 nan 8.210 nan 0.000 0.469 265 G N 2.710 111.526 108.800 0.028 0.000 2.547 265 G HA2 0.239 4.199 3.960 -0.000 0.000 0.291 265 G HA3 0.239 4.199 3.960 -0.000 0.000 0.291 265 G C 0.307 175.271 174.900 0.105 0.000 1.211 265 G CA -0.366 44.775 45.100 0.067 0.000 0.950 265 G HN 0.582 nan 8.290 nan 0.000 0.504 266 F N 0.578 120.547 119.950 0.031 0.000 2.250 266 F HA -0.122 4.405 4.527 -0.000 0.000 0.301 266 F C 2.139 177.913 175.800 -0.043 0.000 1.077 266 F CA 1.901 59.863 58.000 -0.063 0.000 1.348 266 F CB 0.254 39.115 39.000 -0.232 0.000 1.040 266 F HN 0.425 nan 8.300 nan 0.000 0.509 267 D N -1.123 119.320 120.400 0.072 0.000 2.319 267 D HA 0.161 4.801 4.640 -0.000 0.000 0.230 267 D C 1.843 178.130 176.300 -0.022 0.000 1.094 267 D CA 0.717 54.740 54.000 0.039 0.000 0.856 267 D CB -0.493 40.482 40.800 0.293 0.000 0.915 267 D HN 0.386 nan 8.370 nan 0.000 0.517 268 G N 0.236 109.002 108.800 -0.058 0.000 2.205 268 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.261 268 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.261 268 G C 0.578 175.463 174.900 -0.026 0.000 0.980 268 G CA 0.669 45.735 45.100 -0.057 0.000 0.632 268 G HN 0.834 nan 8.290 nan 0.000 0.533 269 T N -0.842 113.717 114.554 0.008 0.000 2.868 269 T HA 0.551 4.901 4.350 -0.000 0.000 0.292 269 T C 0.419 175.126 174.700 0.011 0.000 1.028 269 T CA 0.651 62.759 62.100 0.013 0.000 1.059 269 T CB 1.501 70.391 68.868 0.037 0.000 0.991 269 T HN 0.355 nan 8.240 nan 0.000 0.531 270 T N 2.423 116.989 114.554 0.019 0.000 2.794 270 T HA 0.321 4.671 4.350 -0.000 0.000 0.296 270 T C 1.262 175.984 174.700 0.037 0.000 0.949 270 T CA -0.705 61.425 62.100 0.050 0.000 1.101 270 T CB 1.060 69.988 68.868 0.101 0.000 0.905 270 T HN 0.541 nan 8.240 nan 0.000 0.516 271 V N 3.627 123.558 119.914 0.028 0.000 2.672 271 V HA 0.264 4.384 4.120 -0.000 0.000 0.242 271 V C 0.601 176.699 176.094 0.006 0.000 1.059 271 V CA 0.693 62.992 62.300 -0.003 0.000 1.081 271 V CB 0.127 31.934 31.823 -0.027 0.000 0.752 271 V HN 0.709 nan 8.190 nan 0.000 0.472 272 I N 0.644 121.226 120.570 0.021 0.000 2.686 272 I HA 0.454 4.624 4.170 -0.000 0.000 0.295 272 I C -0.572 175.530 176.117 -0.025 0.000 1.114 272 I CA -0.002 61.297 61.300 -0.002 0.000 1.038 272 I CB 2.092 40.086 38.000 -0.010 0.000 1.238 272 I HN 0.256 nan 8.210 nan 0.000 0.420 273 T N 3.068 117.569 114.554 -0.089 0.000 2.886 273 T HA 0.762 5.112 4.350 -0.000 0.000 0.292 273 T C -0.561 174.005 174.700 -0.224 0.000 1.012 273 T CA -0.852 61.093 62.100 -0.258 0.000 0.982 273 T CB 2.551 71.250 68.868 -0.281 0.000 1.018 273 T HN 0.462 nan 8.240 nan 0.000 0.451 274 R N 1.377 121.708 120.500 -0.281 0.000 2.621 274 R HA 0.769 5.109 4.340 -0.000 0.000 0.284 274 R C -0.570 175.590 176.300 -0.233 0.000 0.998 274 R CA -0.785 55.198 56.100 -0.195 0.000 0.895 274 R CB 1.898 32.123 30.300 -0.124 0.000 1.195 274 R HN 1.008 nan 8.270 nan 0.000 0.450 275 A N 1.959 124.665 122.820 -0.190 0.000 2.363 275 A HA 0.430 4.750 4.320 -0.000 0.000 0.270 275 A C 0.647 178.101 177.584 -0.216 0.000 1.121 275 A CA -0.325 51.596 52.037 -0.193 0.000 0.800 275 A CB 0.623 19.534 19.000 -0.147 0.000 1.052 275 A HN 0.460 nan 8.150 nan 0.000 0.493 276 V N 1.203 120.949 119.914 -0.280 0.000 3.484 276 V HA 0.413 4.532 4.120 -0.000 0.000 0.252 276 V C 0.912 176.797 176.094 -0.349 0.000 1.282 276 V CA 1.236 63.289 62.300 -0.411 0.000 1.104 276 V CB 0.089 31.487 31.823 -0.707 0.000 0.868 276 V HN 1.118 nan 8.190 nan 0.000 0.457 277 A N -0.519 122.139 122.820 -0.269 0.000 2.427 277 A HA 0.778 5.098 4.320 -0.000 0.000 0.298 277 A C -0.692 176.790 177.584 -0.169 0.000 1.036 277 A CA -0.254 51.651 52.037 -0.221 0.000 0.701 277 A CB 1.991 20.840 19.000 -0.253 0.000 1.250 277 A HN 0.041 nan 8.150 nan 0.000 0.412 278 S N 1.688 117.305 115.700 -0.138 0.000 2.756 278 S HA 0.496 4.966 4.470 -0.000 0.000 0.303 278 S C -0.346 174.200 174.600 -0.091 0.000 1.135 278 S CA 0.300 58.438 58.200 -0.105 0.000 1.066 278 S CB 0.637 63.784 63.200 -0.087 0.000 1.008 278 S HN 1.435 nan 8.310 nan 0.000 0.482 279 D N 3.277 123.627 120.400 -0.084 0.000 2.708 279 D HA -0.207 4.433 4.640 -0.000 0.000 0.236 279 D C -0.438 175.814 176.300 -0.081 0.000 1.146 279 D CA 0.700 54.660 54.000 -0.067 0.000 0.662 279 D CB -1.143 39.630 40.800 -0.045 0.000 1.059 279 D HN 0.487 nan 8.370 nan 0.000 0.428 280 N N 0.297 118.924 118.700 -0.121 0.000 2.405 280 N HA 0.357 5.096 4.740 -0.000 0.000 0.260 280 N C 0.301 175.731 175.510 -0.133 0.000 1.152 280 N CA 0.696 53.663 53.050 -0.138 0.000 0.948 280 N CB 0.639 39.006 38.487 -0.201 0.000 1.111 280 N HN 0.369 nan 8.380 nan 0.000 0.485 281 G N 3.311 112.061 108.800 -0.083 0.000 2.403 281 G HA2 0.393 4.353 3.960 -0.000 0.000 0.259 281 G HA3 0.393 4.353 3.960 -0.000 0.000 0.259 281 G C 0.028 174.890 174.900 -0.063 0.000 1.244 281 G CA -0.458 44.608 45.100 -0.057 0.000 0.849 281 G HN 0.594 nan 8.290 nan 0.000 0.532 282 L N 1.803 122.997 121.223 -0.049 0.000 2.275 282 L HA 0.324 4.664 4.340 -0.000 0.000 0.288 282 L C 0.519 177.390 176.870 0.001 0.000 1.046 282 L CA -0.553 54.268 54.840 -0.032 0.000 0.805 282 L CB 1.638 43.682 42.059 -0.024 0.000 1.193 282 L HN 0.359 nan 8.230 nan 0.000 0.426 283 T N 1.428 115.988 114.554 0.010 0.000 2.845 283 T HA 0.151 4.501 4.350 -0.000 0.000 0.288 283 T C 0.338 175.034 174.700 -0.006 0.000 0.980 283 T CA -0.202 61.902 62.100 0.007 0.000 1.071 283 T CB 1.275 70.156 68.868 0.023 0.000 0.941 283 T HN 0.517 nan 8.240 nan 0.000 0.487 284 T N 2.227 116.733 114.554 -0.081 0.000 2.926 284 T HA 0.400 4.750 4.350 -0.000 0.000 0.307 284 T C 1.393 176.073 174.700 -0.034 0.000 1.059 284 T CA 1.079 63.108 62.100 -0.119 0.000 1.122 284 T CB 0.176 68.819 68.868 -0.377 0.000 0.972 284 T HN 0.964 nan 8.240 nan 0.000 0.545 285 G N 2.448 111.237 108.800 -0.019 0.000 2.258 285 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.274 285 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.274 285 G C 0.068 174.963 174.900 -0.007 0.000 1.021 285 G CA 1.035 46.123 45.100 -0.020 0.000 0.798 285 G HN 1.018 nan 8.290 nan 0.000 0.507 286 I N -5.333 115.264 120.570 0.045 0.000 3.279 286 I HA 0.711 4.880 4.170 -0.000 0.000 0.315 286 I C -0.932 175.309 176.117 0.207 0.000 1.187 286 I CA -1.724 59.624 61.300 0.079 0.000 0.953 286 I CB 1.521 39.557 38.000 0.061 0.000 1.279 286 I HN -0.167 nan 8.210 nan 0.000 0.465 287 D N 2.946 123.467 120.400 0.202 0.000 2.325 287 D HA 0.222 4.862 4.640 -0.000 0.000 0.251 287 D C -0.871 175.512 176.300 0.139 0.000 1.196 287 D CA 0.166 54.310 54.000 0.240 0.000 0.866 287 D CB 0.554 41.458 40.800 0.172 0.000 1.101 287 D HN 0.447 nan 8.370 nan 0.000 0.476 288 N N 3.086 121.865 118.700 0.132 0.000 2.437 288 N HA 0.234 4.974 4.740 -0.000 0.000 0.259 288 N C -0.227 175.348 175.510 0.108 0.000 0.983 288 N CA -0.347 52.761 53.050 0.096 0.000 0.937 288 N CB 1.743 40.281 38.487 0.085 0.000 1.122 288 N HN 0.257 nan 8.380 nan 0.000 0.499 289 L N 2.158 123.426 121.223 0.075 0.000 2.292 289 L HA 0.473 4.813 4.340 -0.000 0.000 0.284 289 L C 0.456 177.376 176.870 0.083 0.000 1.065 289 L CA -0.227 54.665 54.840 0.085 0.000 0.806 289 L CB 1.300 43.395 42.059 0.061 0.000 1.175 289 L HN 0.349 nan 8.230 nan 0.000 0.431 290 M N 6.730 126.417 119.600 0.145 0.000 2.016 290 M HA 0.381 4.861 4.480 -0.000 0.000 0.315 290 M C -2.546 173.869 176.300 0.192 0.000 0.930 290 M CA -1.662 53.710 55.300 0.120 0.000 0.899 290 M CB 1.591 34.310 32.600 0.198 0.000 1.401 290 M HN 0.223 nan 8.290 nan 0.000 0.386 291 P HA 0.314 nan 4.420 nan 0.000 0.281 291 P C -1.373 176.045 177.300 0.196 0.000 1.249 291 P CA -0.146 63.070 63.100 0.193 0.000 0.810 291 P CB 0.823 32.580 31.700 0.094 0.000 1.008 292 F N 1.149 121.109 119.950 0.018 0.000 2.467 292 F HA 0.385 4.912 4.527 -0.000 0.000 0.336 292 F C 1.007 176.816 175.800 0.016 0.000 1.123 292 F CA -0.286 57.725 58.000 0.018 0.000 0.964 292 F CB 1.300 40.318 39.000 0.031 0.000 1.136 292 F HN 0.193 nan 8.300 nan 0.000 0.447 293 N N 4.703 123.481 118.700 0.131 0.000 2.687 293 N HA 0.266 5.006 4.740 -0.000 0.000 0.275 293 N C -1.521 174.026 175.510 0.062 0.000 1.789 293 N CA -0.005 53.096 53.050 0.085 0.000 0.806 293 N CB 0.862 39.375 38.487 0.043 0.000 1.256 293 N HN 0.448 nan 8.380 nan 0.000 0.500 294 L N 0.749 122.027 121.223 0.092 0.000 2.295 294 L HA 0.619 4.959 4.340 -0.000 0.000 0.285 294 L C -0.047 176.869 176.870 0.077 0.000 1.035 294 L CA -0.882 53.998 54.840 0.066 0.000 0.806 294 L CB 2.015 44.119 42.059 0.075 0.000 1.214 294 L HN -0.241 nan 8.230 nan 0.000 0.426 295 V N 4.727 124.677 119.914 0.060 0.000 2.407 295 V HA 0.383 4.503 4.120 -0.000 0.000 0.291 295 V C -0.145 175.984 176.094 0.059 0.000 1.018 295 V CA -0.421 61.926 62.300 0.078 0.000 0.842 295 V CB 2.042 33.904 31.823 0.065 0.000 0.996 295 V HN 0.433 nan 8.190 nan 0.000 0.426 296 I N 7.749 128.362 120.570 0.071 0.000 2.306 296 I HA 0.386 4.556 4.170 -0.000 0.000 0.288 296 I C -2.105 174.047 176.117 0.059 0.000 1.036 296 I CA -2.807 58.523 61.300 0.050 0.000 1.221 296 I CB 1.223 39.248 38.000 0.042 0.000 1.385 296 I HN 0.373 nan 8.210 nan 0.000 0.472 297 P HA 0.174 nan 4.420 nan 0.000 0.277 297 P C 0.704 178.022 177.300 0.031 0.000 1.240 297 P CA -0.137 62.984 63.100 0.036 0.000 0.798 297 P CB 1.231 32.941 31.700 0.018 0.000 0.979 298 T N 1.478 116.053 114.554 0.035 0.000 2.653 298 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 298 T C 1.594 176.302 174.700 0.014 0.000 1.035 298 T CA 2.187 64.304 62.100 0.028 0.000 1.154 298 T CB -0.935 67.953 68.868 0.033 0.000 0.862 298 T HN 0.615 nan 8.240 nan 0.000 0.441 299 N N 1.673 120.380 118.700 0.012 0.000 2.348 299 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 299 N C 1.388 176.901 175.510 0.005 0.000 1.019 299 N CA 0.975 54.031 53.050 0.009 0.000 0.880 299 N CB -0.329 38.163 38.487 0.008 0.000 0.965 299 N HN 0.552 nan 8.380 nan 0.000 0.437 300 E N 0.259 120.461 120.200 0.003 0.000 2.385 300 E HA 0.180 4.530 4.350 -0.000 0.000 0.194 300 E C 0.196 176.789 176.600 -0.011 0.000 1.013 300 E CA -0.040 56.359 56.400 -0.002 0.000 0.866 300 E CB 0.307 30.006 29.700 -0.001 0.000 0.832 300 E HN 0.404 nan 8.360 nan 0.000 0.500 301 I N 2.460 123.022 120.570 -0.013 0.000 2.308 301 I HA -0.011 4.159 4.170 -0.000 0.000 0.293 301 I C 1.409 177.491 176.117 -0.058 0.000 1.078 301 I CA -0.029 61.251 61.300 -0.033 0.000 1.292 301 I CB 0.986 38.972 38.000 -0.024 0.000 1.423 301 I HN 0.021 nan 8.210 nan 0.000 0.493 302 T N 1.742 116.241 114.554 -0.092 0.000 3.067 302 T HA 0.050 4.400 4.350 -0.000 0.000 0.257 302 T C 0.457 174.963 174.700 -0.324 0.000 1.105 302 T CA 0.139 62.162 62.100 -0.127 0.000 1.104 302 T CB 0.025 68.836 68.868 -0.095 0.000 0.925 302 T HN 0.725 nan 8.240 nan 0.000 0.498 303 Q N -0.411 119.156 119.800 -0.389 0.000 2.472 303 Q HA 0.542 4.882 4.340 -0.000 0.000 0.281 303 Q C -3.475 172.399 176.000 -0.210 0.000 0.997 303 Q CA -2.387 53.057 55.803 -0.598 0.000 0.828 303 Q CB 0.773 28.673 28.738 -1.397 0.000 1.443 303 Q HN -0.130 nan 8.270 nan 0.000 0.390 304 P HA -0.036 nan 4.420 nan 0.000 0.261 304 P C -0.649 176.692 177.300 0.070 0.000 1.173 304 P CA 0.284 63.422 63.100 0.062 0.000 0.760 304 P CB 0.280 32.114 31.700 0.222 0.000 0.783 305 I N 3.387 123.985 120.570 0.048 0.000 2.395 305 I HA 0.095 4.265 4.170 -0.000 0.000 0.289 305 I C 1.519 177.682 176.117 0.076 0.000 1.023 305 I CA 0.375 61.704 61.300 0.048 0.000 1.350 305 I CB 0.894 38.908 38.000 0.024 0.000 1.409 305 I HN 0.424 nan 8.210 nan 0.000 0.507 306 T N 0.406 115.010 114.554 0.083 0.000 3.040 306 T HA 0.236 4.586 4.350 -0.000 0.000 0.266 306 T C 0.368 175.085 174.700 0.029 0.000 1.005 306 T CA -0.067 62.087 62.100 0.089 0.000 0.906 306 T CB 0.125 69.096 68.868 0.173 0.000 1.082 306 T HN 0.625 nan 8.240 nan 0.000 0.531 307 S N 0.302 116.007 115.700 0.007 0.000 2.567 307 S HA 0.713 5.182 4.470 -0.000 0.000 0.270 307 S C -1.532 173.063 174.600 -0.009 0.000 1.152 307 S CA -1.054 57.137 58.200 -0.014 0.000 0.835 307 S CB 1.680 64.872 63.200 -0.012 0.000 1.115 307 S HN 0.462 nan 8.310 nan 0.000 0.459 308 I N 1.327 121.895 120.570 -0.004 0.000 2.582 308 I HA 0.718 4.888 4.170 -0.000 0.000 0.292 308 I C -1.482 174.605 176.117 -0.051 0.000 1.066 308 I CA -0.693 60.614 61.300 0.012 0.000 1.053 308 I CB 1.816 39.847 38.000 0.051 0.000 1.241 308 I HN 1.025 nan 8.210 nan 0.000 0.421 309 K N 6.394 126.722 120.400 -0.121 0.000 2.508 309 K HA 0.594 4.914 4.320 -0.000 0.000 0.260 309 K C -2.169 174.227 176.600 -0.339 0.000 0.949 309 K CA -0.933 55.138 56.287 -0.359 0.000 0.834 309 K CB 2.471 34.840 32.500 -0.218 0.000 1.365 309 K HN 0.459 nan 8.250 nan 0.000 0.437 310 L N 1.219 122.043 121.223 -0.665 0.000 2.313 310 L HA 0.460 4.800 4.340 -0.000 0.000 0.283 310 L C -0.963 175.849 176.870 -0.097 0.000 1.013 310 L CA -0.045 54.622 54.840 -0.288 0.000 0.816 310 L CB 1.705 43.606 42.059 -0.263 0.000 1.236 310 L HN 0.909 nan 8.230 nan 0.000 0.419 311 E N 4.826 125.068 120.200 0.071 0.000 2.183 311 E HA 0.592 4.942 4.350 -0.000 0.000 0.271 311 E C -1.428 175.221 176.600 0.081 0.000 0.919 311 E CA -0.593 55.866 56.400 0.097 0.000 0.781 311 E CB 1.389 31.229 29.700 0.233 0.000 1.140 311 E HN 0.657 nan 8.360 nan 0.000 0.402 312 I N 3.956 124.572 120.570 0.078 0.000 2.499 312 I HA 0.289 4.459 4.170 -0.000 0.000 0.288 312 I C -0.965 175.172 176.117 0.034 0.000 1.048 312 I CA -1.058 60.276 61.300 0.056 0.000 1.062 312 I CB 2.045 40.124 38.000 0.132 0.000 1.238 312 I HN 0.286 nan 8.210 nan 0.000 0.426 313 V N 4.927 124.838 119.914 -0.006 0.000 2.384 313 V HA 0.356 4.476 4.120 -0.000 0.000 0.287 313 V C 0.076 176.165 176.094 -0.008 0.000 1.020 313 V CA -0.303 61.997 62.300 -0.001 0.000 0.850 313 V CB 1.825 33.646 31.823 -0.004 0.000 0.987 313 V HN 0.719 nan 8.190 nan 0.000 0.436 314 T N 4.389 118.959 114.554 0.028 0.000 2.767 314 T HA 0.601 4.951 4.350 -0.000 0.000 0.284 314 T C 0.005 174.774 174.700 0.115 0.000 0.973 314 T CA -0.343 61.816 62.100 0.100 0.000 0.996 314 T CB 1.221 70.201 68.868 0.187 0.000 0.927 314 T HN 0.880 nan 8.240 nan 0.000 0.456 315 S N 2.768 118.533 115.700 0.109 0.000 2.627 315 S HA 0.733 5.203 4.470 -0.000 0.000 0.283 315 S C -1.205 173.497 174.600 0.170 0.000 1.127 315 S CA -1.059 57.214 58.200 0.122 0.000 0.863 315 S CB 2.178 65.422 63.200 0.073 0.000 1.121 315 S HN 0.545 nan 8.310 nan 0.000 0.479 316 K N 1.428 121.975 120.400 0.245 0.000 2.664 316 K HA 0.351 4.671 4.320 -0.000 0.000 0.234 316 K C 0.998 177.740 176.600 0.237 0.000 0.980 316 K CA -0.228 56.201 56.287 0.237 0.000 0.996 316 K CB 1.097 33.772 32.500 0.291 0.000 1.190 316 K HN 0.812 nan 8.250 nan 0.000 0.479 317 S N 1.736 117.521 115.700 0.141 0.000 2.359 317 S HA -0.149 4.321 4.470 -0.000 0.000 0.222 317 S C 1.370 176.016 174.600 0.077 0.000 1.038 317 S CA 1.209 59.476 58.200 0.112 0.000 1.051 317 S CB -0.402 62.838 63.200 0.066 0.000 0.944 317 S HN 0.628 nan 8.310 nan 0.000 0.433 318 G N 1.799 110.613 108.800 0.024 0.000 3.943 318 G HA2 0.556 4.516 3.960 -0.000 0.000 0.275 318 G HA3 0.556 4.516 3.960 -0.000 0.000 0.275 318 G C 0.130 174.956 174.900 -0.123 0.000 1.234 318 G CA -0.147 44.934 45.100 -0.032 0.000 1.522 318 G HN 0.705 nan 8.290 nan 0.000 0.636 319 G N -0.210 108.432 108.800 -0.265 0.000 2.509 319 G HA2 0.648 4.608 3.960 -0.000 0.000 0.328 319 G HA3 0.648 4.608 3.960 -0.000 0.000 0.328 319 G C -0.461 173.825 174.900 -1.024 0.000 1.194 319 G CA -0.707 44.021 45.100 -0.619 0.000 0.967 319 G HN 0.593 nan 8.290 nan 0.000 0.488 320 Q N -0.754 118.539 119.800 -0.845 0.000 2.456 320 Q HA 0.683 5.022 4.340 -0.000 0.000 0.284 320 Q C -0.351 175.513 176.000 -0.226 0.000 1.061 320 Q CA -1.077 54.422 55.803 -0.505 0.000 0.799 320 Q CB 1.855 30.467 28.738 -0.210 0.000 1.445 320 Q HN 0.905 nan 8.270 nan 0.000 0.411 321 A N 0.458 123.301 122.820 0.038 0.000 2.609 321 A HA 0.326 4.646 4.320 -0.000 0.000 0.232 321 A C 1.330 178.953 177.584 0.065 0.000 1.041 321 A CA 1.476 53.600 52.037 0.145 0.000 0.753 321 A CB -1.100 17.962 19.000 0.103 0.000 0.966 321 A HN 1.744 nan 8.150 nan 0.000 0.510 322 G N 1.701 110.553 108.800 0.087 0.000 2.317 322 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.227 322 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.227 322 G C 0.173 175.101 174.900 0.047 0.000 1.042 322 G CA 0.427 45.555 45.100 0.047 0.000 0.623 322 G HN 0.930 nan 8.290 nan 0.000 0.509 323 D N 1.159 121.587 120.400 0.046 0.000 2.478 323 D HA 0.439 5.079 4.640 -0.000 0.000 0.234 323 D C 0.626 176.981 176.300 0.092 0.000 1.154 323 D CA 0.680 54.708 54.000 0.047 0.000 0.874 323 D CB 0.760 41.561 40.800 0.002 0.000 1.198 323 D HN 0.416 nan 8.370 nan 0.000 0.455 324 Q N 1.169 121.010 119.800 0.069 0.000 2.282 324 Q HA 0.487 4.827 4.340 -0.000 0.000 0.260 324 Q C -1.008 175.043 176.000 0.084 0.000 0.964 324 Q CA -0.349 55.485 55.803 0.051 0.000 0.880 324 Q CB 1.302 30.047 28.738 0.012 0.000 1.286 324 Q HN 0.365 nan 8.270 nan 0.000 0.445 325 M N 2.259 121.903 119.600 0.072 0.000 2.227 325 M HA 0.589 5.069 4.480 -0.000 0.000 0.335 325 M C -0.978 175.345 176.300 0.038 0.000 1.053 325 M CA -0.567 54.824 55.300 0.151 0.000 0.973 325 M CB 1.982 34.744 32.600 0.271 0.000 1.623 325 M HN 0.783 nan 8.290 nan 0.000 0.434 326 S N 3.377 119.156 115.700 0.131 0.000 2.552 326 S HA 0.832 5.302 4.470 -0.000 0.000 0.272 326 S C -1.952 172.821 174.600 0.289 0.000 1.150 326 S CA -0.872 57.340 58.200 0.021 0.000 0.849 326 S CB 1.773 64.924 63.200 -0.081 0.000 1.113 326 S HN 0.957 nan 8.310 nan 0.000 0.458 327 W N 0.481 121.985 121.300 0.340 0.000 3.059 327 W HA 0.704 5.363 4.660 -0.000 0.000 0.329 327 W C -1.239 175.432 176.519 0.252 0.000 1.246 327 W CA -0.542 56.983 57.345 0.300 0.000 1.190 327 W CB 0.844 30.526 29.460 0.369 0.000 1.423 327 W HN 1.121 nan 8.180 nan 0.000 0.571 328 S N 1.312 117.405 115.700 0.654 0.000 2.536 328 S HA 0.903 5.373 4.470 -0.000 0.000 0.298 328 S C -0.924 173.869 174.600 0.321 0.000 1.083 328 S CA -0.253 58.215 58.200 0.447 0.000 0.995 328 S CB 1.988 65.336 63.200 0.246 0.000 1.058 328 S HN 1.256 nan 8.310 nan 0.000 0.488 329 A N 1.813 124.754 122.820 0.202 0.000 2.515 329 A HA 0.912 5.232 4.320 -0.000 0.000 0.296 329 A C -0.563 176.930 177.584 -0.152 0.000 1.094 329 A CA -0.774 51.108 52.037 -0.259 0.000 0.718 329 A CB 1.828 20.488 19.000 -0.567 0.000 1.307 329 A HN 0.945 nan 8.150 nan 0.000 0.408 330 S N -1.029 114.501 115.700 -0.284 0.000 2.533 330 S HA 0.885 5.355 4.470 -0.000 0.000 0.271 330 S C -0.352 174.134 174.600 -0.189 0.000 1.143 330 S CA 0.014 58.118 58.200 -0.159 0.000 0.891 330 S CB 2.020 65.154 63.200 -0.110 0.000 1.105 330 S HN 2.176 nan 8.310 nan 0.000 0.468 331 G N 0.979 109.696 108.800 -0.139 0.000 2.377 331 G HA2 0.516 4.476 3.960 -0.000 0.000 0.297 331 G HA3 0.516 4.476 3.960 -0.000 0.000 0.297 331 G C -1.732 173.073 174.900 -0.158 0.000 1.547 331 G CA -0.545 44.471 45.100 -0.139 0.000 0.833 331 G HN 0.661 nan 8.290 nan 0.000 0.583 332 S N -0.579 115.021 115.700 -0.166 0.000 2.536 332 S HA 0.810 5.280 4.470 -0.000 0.000 0.287 332 S C -0.437 174.021 174.600 -0.237 0.000 1.101 332 S CA -0.668 57.416 58.200 -0.194 0.000 0.950 332 S CB 1.522 64.641 63.200 -0.134 0.000 1.056 332 S HN 0.628 nan 8.310 nan 0.000 0.481 333 L N 1.524 122.583 121.223 -0.273 0.000 2.341 333 L HA 0.918 5.258 4.340 -0.000 0.000 0.267 333 L C -0.345 176.437 176.870 -0.148 0.000 1.009 333 L CA -1.088 53.584 54.840 -0.279 0.000 0.819 333 L CB 1.792 43.629 42.059 -0.371 0.000 1.323 333 L HN 0.729 nan 8.230 nan 0.000 0.425 334 A N 1.742 124.510 122.820 -0.087 0.000 2.335 334 A HA 0.708 5.028 4.320 -0.000 0.000 0.304 334 A C -0.867 176.726 177.584 0.015 0.000 1.118 334 A CA -0.465 51.557 52.037 -0.025 0.000 0.757 334 A CB 1.405 20.393 19.000 -0.019 0.000 1.188 334 A HN 0.362 nan 8.150 nan 0.000 0.460 335 V N 2.758 122.712 119.914 0.066 0.000 2.350 335 V HA 0.428 4.548 4.120 -0.000 0.000 0.276 335 V C 0.165 176.314 176.094 0.092 0.000 1.028 335 V CA -0.173 62.184 62.300 0.095 0.000 0.860 335 V CB 1.262 33.166 31.823 0.136 0.000 0.990 335 V HN 0.863 nan 8.190 nan 0.000 0.453 336 T N 6.642 121.190 114.554 -0.010 0.000 2.756 336 T HA 0.505 4.855 4.350 -0.000 0.000 0.290 336 T C -0.134 174.402 174.700 -0.272 0.000 0.985 336 T CA -0.263 61.766 62.100 -0.118 0.000 0.955 336 T CB 0.530 69.309 68.868 -0.147 0.000 0.930 336 T HN 0.319 nan 8.240 nan 0.000 0.451 337 I N 4.476 124.952 120.570 -0.156 0.000 2.291 337 I HA 0.177 4.347 4.170 -0.000 0.000 0.290 337 I C 0.657 176.678 176.117 -0.160 0.000 1.050 337 I CA -0.839 60.383 61.300 -0.129 0.000 1.245 337 I CB 0.022 38.047 38.000 0.041 0.000 1.405 337 I HN 0.559 nan 8.210 nan 0.000 0.478 338 H N 5.297 124.399 119.070 0.053 0.000 3.107 338 H HA 0.067 4.623 4.556 -0.000 0.000 0.301 338 H C 1.474 176.822 175.328 0.033 0.000 0.981 338 H CA 0.968 57.038 56.048 0.037 0.000 1.443 338 H CB 0.449 30.228 29.762 0.028 0.000 1.479 338 H HN 0.946 nan 8.280 nan 0.000 0.564 339 G N 2.863 111.743 108.800 0.133 0.000 2.166 339 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 339 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 339 G C 1.555 176.513 174.900 0.096 0.000 0.986 339 G CA 0.747 45.904 45.100 0.096 0.000 0.683 339 G HN 0.858 nan 8.290 nan 0.000 0.527 340 G N 0.105 108.947 108.800 0.070 0.000 2.448 340 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.219 340 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.219 340 G C 1.272 176.206 174.900 0.057 0.000 1.127 340 G CA 1.274 46.412 45.100 0.063 0.000 0.766 340 G HN 0.513 nan 8.290 nan 0.000 0.552 341 N N -0.816 117.909 118.700 0.042 0.000 2.322 341 N HA 0.076 4.816 4.740 -0.000 0.000 0.194 341 N C -0.429 175.102 175.510 0.035 0.000 1.126 341 N CA -0.486 52.572 53.050 0.014 0.000 0.845 341 N CB -0.105 38.368 38.487 -0.024 0.000 0.976 341 N HN 0.430 nan 8.380 nan 0.000 0.475 342 Y N 2.495 122.778 120.300 -0.028 0.000 2.496 342 Y HA 0.193 4.743 4.550 -0.000 0.000 0.334 342 Y C -2.114 173.761 175.900 -0.041 0.000 1.080 342 Y CA -2.179 55.900 58.100 -0.036 0.000 1.355 342 Y CB 0.561 38.992 38.460 -0.048 0.000 1.193 342 Y HN 0.005 nan 8.280 nan 0.000 0.523 343 P HA 0.061 nan 4.420 nan 0.000 0.256 343 P C 0.508 177.738 177.300 -0.117 0.000 1.173 343 P CA 2.046 64.987 63.100 -0.265 0.000 0.768 343 P CB 0.312 31.806 31.700 -0.344 0.000 0.758 344 G N 3.200 112.015 108.800 0.025 0.000 2.259 344 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 344 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 344 G C 1.130 176.140 174.900 0.184 0.000 1.001 344 G CA 0.282 45.454 45.100 0.120 0.000 0.627 344 G HN 0.624 nan 8.290 nan 0.000 0.501 345 A N -0.346 122.568 122.820 0.157 0.000 1.968 345 A HA 0.610 4.929 4.320 -0.000 0.000 0.217 345 A C 2.181 179.879 177.584 0.190 0.000 1.169 345 A CA 1.925 54.030 52.037 0.114 0.000 0.638 345 A CB -0.153 18.894 19.000 0.079 0.000 0.812 345 A HN 0.878 nan 8.150 nan 0.000 0.446 346 L N -2.386 118.938 121.223 0.168 0.000 3.066 346 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 346 L C 0.537 177.544 176.870 0.228 0.000 1.101 346 L CA -0.122 54.819 54.840 0.169 0.000 1.022 346 L CB 0.422 42.562 42.059 0.135 0.000 1.600 346 L HN 0.427 nan 8.230 nan 0.000 0.559 347 R N 0.391 120.988 120.500 0.161 0.000 2.807 347 R HA 0.612 4.952 4.340 -0.000 0.000 0.276 347 R C -2.938 173.420 176.300 0.096 0.000 0.979 347 R CA -1.716 54.455 56.100 0.118 0.000 0.928 347 R CB 1.226 31.536 30.300 0.017 0.000 1.191 347 R HN -0.294 nan 8.270 nan 0.000 0.471 348 P HA 0.253 nan 4.420 nan 0.000 0.302 348 P C -0.876 176.521 177.300 0.161 0.000 1.307 348 P CA -0.582 62.551 63.100 0.054 0.000 0.754 348 P CB 0.945 32.644 31.700 -0.002 0.000 1.298 349 V N -0.772 119.236 119.914 0.156 0.000 2.760 349 V HA 0.349 4.469 4.120 -0.000 0.000 0.309 349 V C -0.298 175.857 176.094 0.102 0.000 1.077 349 V CA -0.290 62.096 62.300 0.144 0.000 0.910 349 V CB 2.217 34.146 31.823 0.178 0.000 1.008 349 V HN 0.537 nan 8.190 nan 0.000 0.424 350 T N 6.223 120.813 114.554 0.060 0.000 2.792 350 T HA 0.628 4.978 4.350 -0.000 0.000 0.280 350 T C -0.567 174.166 174.700 0.055 0.000 0.990 350 T CA -0.301 61.845 62.100 0.076 0.000 0.960 350 T CB 0.782 69.706 68.868 0.092 0.000 0.939 350 T HN 0.339 nan 8.240 nan 0.000 0.439 351 L N 3.416 124.646 121.223 0.013 0.000 2.307 351 L HA 0.673 5.013 4.340 -0.000 0.000 0.284 351 L C -0.585 176.298 176.870 0.022 0.000 1.023 351 L CA -1.111 53.703 54.840 -0.042 0.000 0.810 351 L CB 1.719 43.711 42.059 -0.113 0.000 1.231 351 L HN 0.319 nan 8.230 nan 0.000 0.423 352 V N 2.834 122.780 119.914 0.054 0.000 2.349 352 V HA 0.563 4.683 4.120 -0.000 0.000 0.284 352 V C 0.234 176.412 176.094 0.139 0.000 1.014 352 V CA -0.440 61.934 62.300 0.123 0.000 0.826 352 V CB 1.433 33.394 31.823 0.229 0.000 1.009 352 V HN 0.868 nan 8.190 nan 0.000 0.431 353 A N 5.407 128.299 122.820 0.120 0.000 2.312 353 A HA 0.971 5.291 4.320 -0.000 0.000 0.328 353 A C -0.983 176.834 177.584 0.389 0.000 1.158 353 A CA -0.472 51.667 52.037 0.171 0.000 0.821 353 A CB 1.083 20.159 19.000 0.128 0.000 1.170 353 A HN 1.049 nan 8.150 nan 0.000 0.490 354 Y N -0.631 119.878 120.300 0.349 0.000 2.553 354 Y HA 0.768 5.318 4.550 -0.000 0.000 0.347 354 Y C -0.543 175.413 175.900 0.094 0.000 1.019 354 Y CA -0.987 57.276 58.100 0.272 0.000 1.032 354 Y CB 1.325 39.882 38.460 0.162 0.000 1.284 354 Y HN 0.879 nan 8.280 nan 0.000 0.466 355 E N 0.926 121.140 120.200 0.024 0.000 2.412 355 E HA 0.614 4.964 4.350 -0.000 0.000 0.279 355 E C -0.685 175.866 176.600 -0.082 0.000 0.984 355 E CA -1.352 54.946 56.400 -0.169 0.000 0.788 355 E CB 1.492 30.864 29.700 -0.546 0.000 1.277 355 E HN 0.534 nan 8.360 nan 0.000 0.455 356 R N -1.084 119.384 120.500 -0.054 0.000 3.878 356 R HA -0.092 4.248 4.340 -0.000 0.000 0.330 356 R C -0.609 175.708 176.300 0.028 0.000 1.186 356 R CA 0.777 56.862 56.100 -0.024 0.000 0.885 356 R CB -3.041 27.229 30.300 -0.051 0.000 1.377 356 R HN 0.473 nan 8.270 nan 0.000 0.523 357 V N 0.929 120.893 119.914 0.083 0.000 2.546 357 V HA 0.588 4.708 4.120 -0.000 0.000 0.284 357 V C 1.382 177.510 176.094 0.057 0.000 1.050 357 V CA -0.466 61.879 62.300 0.075 0.000 0.981 357 V CB 1.727 33.609 31.823 0.099 0.000 0.990 357 V HN 0.375 nan 8.190 nan 0.000 0.474 358 A N 3.605 126.445 122.820 0.034 0.000 2.520 358 A HA 0.316 4.635 4.320 -0.000 0.000 0.245 358 A C 0.794 178.398 177.584 0.033 0.000 1.072 358 A CA 0.092 52.146 52.037 0.029 0.000 0.761 358 A CB -0.372 18.641 19.000 0.021 0.000 1.004 358 A HN 0.873 nan 8.150 nan 0.000 0.499 359 T N 1.866 116.441 114.554 0.035 0.000 2.946 359 T HA 0.369 4.719 4.350 -0.000 0.000 0.312 359 T C 1.609 176.326 174.700 0.029 0.000 1.066 359 T CA 1.721 63.844 62.100 0.039 0.000 1.138 359 T CB 0.344 69.230 68.868 0.030 0.000 1.014 359 T HN 2.080 nan 8.240 nan 0.000 0.544 360 G N 2.643 111.463 108.800 0.032 0.000 2.179 360 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 360 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 360 G C 0.455 175.362 174.900 0.011 0.000 0.977 360 G CA 0.233 45.346 45.100 0.022 0.000 0.641 360 G HN 0.802 nan 8.290 nan 0.000 0.533 361 S N -1.084 114.620 115.700 0.007 0.000 2.608 361 S HA 0.551 5.021 4.470 -0.000 0.000 0.261 361 S C 0.441 175.022 174.600 -0.031 0.000 1.314 361 S CA -0.056 58.136 58.200 -0.013 0.000 0.992 361 S CB 2.020 65.205 63.200 -0.024 0.000 0.935 361 S HN 0.715 nan 8.310 nan 0.000 0.564 362 V N 2.182 122.069 119.914 -0.045 0.000 2.357 362 V HA 0.314 4.434 4.120 -0.000 0.000 0.284 362 V C -0.373 175.662 176.094 -0.099 0.000 1.018 362 V CA -0.611 61.655 62.300 -0.058 0.000 0.841 362 V CB 1.450 33.252 31.823 -0.035 0.000 0.991 362 V HN 0.608 nan 8.190 nan 0.000 0.437 363 V N 4.648 124.467 119.914 -0.159 0.000 2.364 363 V HA 0.301 4.421 4.120 -0.000 0.000 0.272 363 V C 0.552 176.571 176.094 -0.124 0.000 1.036 363 V CA -0.011 62.165 62.300 -0.208 0.000 0.880 363 V CB 1.695 33.270 31.823 -0.412 0.000 0.991 363 V HN 0.945 nan 8.190 nan 0.000 0.460 364 T N 5.469 119.985 114.554 -0.065 0.000 2.767 364 T HA 0.515 4.865 4.350 -0.000 0.000 0.288 364 T C -0.215 174.497 174.700 0.021 0.000 0.963 364 T CA -0.221 61.870 62.100 -0.015 0.000 1.019 364 T CB 1.300 70.163 68.868 -0.009 0.000 0.923 364 T HN 0.348 nan 8.240 nan 0.000 0.468 365 V N 2.605 122.562 119.914 0.072 0.000 2.495 365 V HA 0.851 4.971 4.120 -0.000 0.000 0.298 365 V C -0.113 176.052 176.094 0.118 0.000 1.031 365 V CA -0.865 61.514 62.300 0.131 0.000 0.871 365 V CB 1.450 33.413 31.823 0.234 0.000 0.988 365 V HN 1.058 nan 8.190 nan 0.000 0.432 366 A N 3.275 126.143 122.820 0.078 0.000 2.437 366 A HA 0.976 5.296 4.320 -0.000 0.000 0.293 366 A C -0.171 177.425 177.584 0.019 0.000 1.038 366 A CA 0.119 52.183 52.037 0.045 0.000 0.708 366 A CB 1.814 20.825 19.000 0.019 0.000 1.251 366 A HN 1.302 nan 8.150 nan 0.000 0.409 367 G N -0.422 108.394 108.800 0.026 0.000 2.663 367 G HA2 0.668 4.628 3.960 -0.000 0.000 0.299 367 G HA3 0.668 4.628 3.960 -0.000 0.000 0.299 367 G C -1.810 173.095 174.900 0.009 0.000 1.372 367 G CA -0.423 44.671 45.100 -0.011 0.000 0.781 367 G HN 1.284 nan 8.290 nan 0.000 0.491 368 V N -0.034 119.870 119.914 -0.016 0.000 2.760 368 V HA 0.718 4.837 4.120 -0.000 0.000 0.309 368 V C -0.415 175.654 176.094 -0.042 0.000 1.077 368 V CA -0.750 61.548 62.300 -0.004 0.000 0.910 368 V CB 1.963 33.777 31.823 -0.014 0.000 1.008 368 V HN 0.787 nan 8.190 nan 0.000 0.424 369 S N 3.672 119.354 115.700 -0.029 0.000 2.502 369 S HA 0.592 5.062 4.470 -0.000 0.000 0.304 369 S C -0.738 173.657 174.600 -0.342 0.000 1.097 369 S CA -0.809 57.262 58.200 -0.215 0.000 1.045 369 S CB 1.280 64.422 63.200 -0.096 0.000 1.019 369 S HN 0.745 nan 8.310 nan 0.000 0.481 370 N N 1.829 120.208 118.700 -0.535 0.000 2.342 370 N HA 0.637 5.377 4.740 -0.000 0.000 0.293 370 N C -1.474 173.713 175.510 -0.539 0.000 1.026 370 N CA -0.224 52.630 53.050 -0.327 0.000 0.857 370 N CB 1.365 39.776 38.487 -0.127 0.000 1.256 370 N HN 0.389 nan 8.380 nan 0.000 0.484 371 F N -0.201 119.757 119.950 0.013 0.000 2.620 371 F HA 0.412 4.939 4.527 -0.000 0.000 0.320 371 F C 0.476 176.266 175.800 -0.017 0.000 1.069 371 F CA -0.903 57.086 58.000 -0.019 0.000 0.953 371 F CB 1.614 40.578 39.000 -0.060 0.000 1.322 371 F HN 0.113 nan 8.300 nan 0.000 0.479 372 E N 2.083 122.386 120.200 0.172 0.000 2.166 372 E HA 0.702 5.052 4.350 -0.000 0.000 0.275 372 E C -1.291 175.399 176.600 0.149 0.000 0.941 372 E CA -0.584 55.870 56.400 0.091 0.000 0.784 372 E CB 2.245 31.796 29.700 -0.248 0.000 1.115 372 E HN 0.427 nan 8.360 nan 0.000 0.399 373 L N 2.852 124.198 121.223 0.205 0.000 2.376 373 L HA 0.580 4.920 4.340 -0.000 0.000 0.258 373 L C -0.764 176.263 176.870 0.262 0.000 1.013 373 L CA -0.836 54.079 54.840 0.124 0.000 0.822 373 L CB 2.017 43.840 42.059 -0.394 0.000 1.388 373 L HN 0.440 nan 8.230 nan 0.000 0.413 374 I N 3.342 124.096 120.570 0.307 0.000 2.382 374 I HA 0.343 4.513 4.170 -0.000 0.000 0.286 374 I C -2.177 174.168 176.117 0.380 0.000 1.002 374 I CA -1.859 59.606 61.300 0.275 0.000 1.135 374 I CB 2.133 40.251 38.000 0.197 0.000 1.288 374 I HN 0.283 nan 8.210 nan 0.000 0.448 375 P HA 0.021 nan 4.420 nan 0.000 0.269 375 P C -0.987 176.357 177.300 0.073 0.000 1.215 375 P CA -0.260 62.961 63.100 0.203 0.000 0.780 375 P CB 0.432 32.186 31.700 0.090 0.000 0.898 376 N N 2.282 120.951 118.700 -0.051 0.000 2.317 376 N HA 0.105 4.845 4.740 -0.000 0.000 0.245 376 N C -1.969 173.524 175.510 -0.029 0.000 1.294 376 N CA -1.775 51.255 53.050 -0.033 0.000 0.924 376 N CB -1.601 36.841 38.487 -0.075 0.000 1.186 376 N HN 0.165 nan 8.380 nan 0.000 0.495 377 P HA -0.150 nan 4.420 nan 0.000 0.216 377 P C 0.870 178.154 177.300 -0.027 0.000 1.153 377 P CA 1.505 64.596 63.100 -0.015 0.000 0.858 377 P CB 0.182 31.876 31.700 -0.011 0.000 0.789 378 E N -0.846 119.329 120.200 -0.042 0.000 2.046 378 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 378 E C 1.959 178.527 176.600 -0.054 0.000 0.982 378 E CA 0.848 57.222 56.400 -0.044 0.000 0.800 378 E CB -1.052 28.618 29.700 -0.049 0.000 0.756 378 E HN 0.176 nan 8.360 nan 0.000 0.449 379 L N 0.992 122.164 121.223 -0.085 0.000 2.201 379 L HA -0.018 4.321 4.340 -0.000 0.000 0.212 379 L C 2.143 178.983 176.870 -0.050 0.000 1.105 379 L CA 1.292 56.074 54.840 -0.098 0.000 0.775 379 L CB -0.651 41.285 42.059 -0.204 0.000 0.913 379 L HN 0.023 nan 8.230 nan 0.000 0.440 380 A N -1.083 121.718 122.820 -0.032 0.000 2.070 380 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 380 A C 2.259 179.839 177.584 -0.008 0.000 1.159 380 A CA 1.460 53.494 52.037 -0.006 0.000 0.656 380 A CB -0.459 18.542 19.000 0.002 0.000 0.800 380 A HN 0.450 nan 8.150 nan 0.000 0.453 381 K N -0.497 119.894 120.400 -0.015 0.000 2.283 381 K HA -0.044 4.276 4.320 -0.000 0.000 0.202 381 K C 0.454 177.049 176.600 -0.008 0.000 1.048 381 K CA 1.125 57.405 56.287 -0.011 0.000 0.948 381 K CB -0.014 32.478 32.500 -0.014 0.000 0.742 381 K HN 0.445 nan 8.250 nan 0.000 0.458 382 N N 0.039 118.734 118.700 -0.009 0.000 2.143 382 N HA 0.021 4.761 4.740 -0.000 0.000 0.222 382 N C -0.929 174.585 175.510 0.006 0.000 1.264 382 N CA -0.066 52.982 53.050 -0.003 0.000 0.897 382 N CB 0.933 39.416 38.487 -0.007 0.000 1.092 382 N HN -0.000 nan 8.380 nan 0.000 0.516 383 L N 2.258 123.487 121.223 0.011 0.000 2.318 383 L HA 0.450 4.790 4.340 -0.000 0.000 0.277 383 L C -0.512 176.374 176.870 0.027 0.000 1.008 383 L CA -0.872 53.987 54.840 0.032 0.000 0.846 383 L CB 1.012 43.104 42.059 0.055 0.000 1.220 383 L HN -0.290 nan 8.230 nan 0.000 0.423 384 V N 4.196 124.121 119.914 0.018 0.000 2.740 384 V HA 0.375 4.495 4.120 -0.000 0.000 0.303 384 V C 0.777 176.865 176.094 -0.010 0.000 1.054 384 V CA 0.256 62.556 62.300 0.001 0.000 1.106 384 V CB 1.149 32.971 31.823 -0.002 0.000 0.957 384 V HN 0.942 nan 8.190 nan 0.000 0.486 385 T N 2.086 116.615 114.554 -0.042 0.000 2.908 385 T HA 0.818 5.168 4.350 -0.000 0.000 0.290 385 T C -0.736 173.867 174.700 -0.162 0.000 1.034 385 T CA -0.825 61.220 62.100 -0.090 0.000 1.010 385 T CB 2.497 71.314 68.868 -0.084 0.000 1.068 385 T HN 0.662 nan 8.240 nan 0.000 0.481 386 E N -0.269 119.776 120.200 -0.258 0.000 2.446 386 E HA 0.384 4.734 4.350 -0.000 0.000 0.276 386 E C -0.446 175.916 176.600 -0.397 0.000 0.969 386 E CA -0.850 55.389 56.400 -0.269 0.000 0.800 386 E CB 1.719 31.338 29.700 -0.135 0.000 1.341 386 E HN 0.711 nan 8.360 nan 0.000 0.460 387 Y N 0.714 120.963 120.300 -0.085 0.000 2.373 387 Y HA 0.148 4.698 4.550 -0.000 0.000 0.293 387 Y C 1.046 176.950 175.900 0.007 0.000 1.129 387 Y CA 1.263 59.356 58.100 -0.011 0.000 1.226 387 Y CB 0.481 38.954 38.460 0.021 0.000 1.000 387 Y HN 0.671 nan 8.280 nan 0.000 0.549 388 G N 1.099 109.947 108.800 0.080 0.000 2.895 388 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.686 388 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.686 388 G C -0.567 174.430 174.900 0.162 0.000 1.108 388 G CA -0.631 44.529 45.100 0.099 0.000 0.761 388 G HN 0.544 nan 8.290 nan 0.000 0.611 389 R N 1.010 121.589 120.500 0.132 0.000 2.489 389 R HA 0.135 4.475 4.340 -0.000 0.000 0.287 389 R C 0.079 176.491 176.300 0.187 0.000 0.902 389 R CA 0.212 56.395 56.100 0.138 0.000 1.136 389 R CB 0.135 30.492 30.300 0.094 0.000 0.872 389 R HN 1.240 nan 8.270 nan 0.000 0.421 390 F N 3.722 123.694 119.950 0.037 0.000 2.427 390 F HA 0.240 4.766 4.527 -0.000 0.000 0.352 390 F C -0.483 175.329 175.800 0.021 0.000 1.100 390 F CA -0.940 57.074 58.000 0.024 0.000 1.191 390 F CB 1.089 40.096 39.000 0.013 0.000 1.128 390 F HN 0.739 nan 8.300 nan 0.000 0.533 391 D N 8.911 128.982 120.400 -0.548 0.000 2.429 391 D HA 0.210 4.850 4.640 -0.000 0.000 0.255 391 D C -1.697 174.238 176.300 -0.608 0.000 1.257 391 D CA -1.648 52.043 54.000 -0.515 0.000 0.890 391 D CB 1.205 41.897 40.800 -0.181 0.000 1.267 391 D HN 0.291 nan 8.370 nan 0.000 0.521 392 P HA -0.174 nan 4.420 nan 0.000 0.222 392 P C 1.107 178.299 177.300 -0.180 0.000 1.159 392 P CA 1.518 64.303 63.100 -0.525 0.000 0.920 392 P CB 0.243 31.706 31.700 -0.395 0.000 0.793 393 G N -1.691 107.022 108.800 -0.145 0.000 3.126 393 G HA2 0.291 4.251 3.960 -0.000 0.000 0.224 393 G HA3 0.291 4.251 3.960 -0.000 0.000 0.224 393 G C 1.595 176.511 174.900 0.027 0.000 1.142 393 G CA 0.551 45.632 45.100 -0.031 0.000 0.759 393 G HN 0.407 nan 8.290 nan 0.000 0.550 394 A N 0.900 123.711 122.820 -0.016 0.000 1.908 394 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 394 A C 2.192 179.852 177.584 0.126 0.000 1.181 394 A CA 2.145 54.225 52.037 0.072 0.000 0.627 394 A CB -0.259 18.762 19.000 0.035 0.000 0.818 394 A HN 0.398 nan 8.150 nan 0.000 0.445 395 M N 0.326 119.945 119.600 0.031 0.000 2.175 395 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 395 M C 1.465 177.823 176.300 0.097 0.000 1.063 395 M CA 1.585 56.898 55.300 0.021 0.000 1.119 395 M CB -0.809 31.770 32.600 -0.035 0.000 1.377 395 M HN 0.395 nan 8.290 nan 0.000 0.415 396 N N -0.946 117.816 118.700 0.104 0.000 2.166 396 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 396 N C 1.752 177.349 175.510 0.145 0.000 1.019 396 N CA 1.435 54.551 53.050 0.109 0.000 0.856 396 N CB -0.604 37.941 38.487 0.097 0.000 0.993 396 N HN 0.523 nan 8.380 nan 0.000 0.426 397 Y N 1.861 122.202 120.300 0.067 0.000 2.242 397 Y HA -0.136 4.413 4.550 -0.000 0.000 0.291 397 Y C 2.335 178.312 175.900 0.129 0.000 1.137 397 Y CA 1.442 59.596 58.100 0.090 0.000 1.181 397 Y CB -0.408 38.104 38.460 0.086 0.000 0.989 397 Y HN -0.011 nan 8.280 nan 0.000 0.527 398 T N 0.165 114.871 114.554 0.252 0.000 2.746 398 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 398 T C 1.792 176.575 174.700 0.139 0.000 1.039 398 T CA 1.786 64.030 62.100 0.240 0.000 1.142 398 T CB -0.145 68.935 68.868 0.353 0.000 0.866 398 T HN 0.263 nan 8.240 nan 0.000 0.444 399 K N 0.446 120.916 120.400 0.117 0.000 2.057 399 K HA -0.014 4.306 4.320 -0.000 0.000 0.207 399 K C 2.190 178.801 176.600 0.018 0.000 1.049 399 K CA 0.882 57.217 56.287 0.081 0.000 0.931 399 K CB -0.345 32.200 32.500 0.075 0.000 0.714 399 K HN 0.143 nan 8.250 nan 0.000 0.440 400 L N 1.288 122.490 121.223 -0.034 0.000 1.994 400 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 400 L C 1.900 178.706 176.870 -0.107 0.000 1.071 400 L CA 1.575 56.363 54.840 -0.086 0.000 0.745 400 L CB -0.357 41.611 42.059 -0.151 0.000 0.892 400 L HN 0.073 nan 8.230 nan 0.000 0.431 401 I N -0.202 120.264 120.570 -0.173 0.000 2.118 401 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 401 I C 2.582 178.699 176.117 0.000 0.000 1.070 401 I CA 1.678 62.923 61.300 -0.091 0.000 1.327 401 I CB -1.380 36.587 38.000 -0.056 0.000 1.034 401 I HN 0.322 nan 8.210 nan 0.000 0.405 402 L N 0.315 121.553 121.223 0.025 0.000 2.141 402 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 402 L C 2.676 179.550 176.870 0.007 0.000 1.094 402 L CA 1.507 56.366 54.840 0.031 0.000 0.763 402 L CB -0.655 41.437 42.059 0.053 0.000 0.908 402 L HN 0.312 nan 8.230 nan 0.000 0.437 403 S N -0.472 115.229 115.700 0.002 0.000 2.423 403 S HA -0.160 4.310 4.470 -0.000 0.000 0.231 403 S C 1.674 176.269 174.600 -0.009 0.000 1.014 403 S CA 1.015 59.212 58.200 -0.006 0.000 0.965 403 S CB -0.089 63.108 63.200 -0.004 0.000 0.785 403 S HN 0.292 nan 8.310 nan 0.000 0.495 404 E N 1.107 121.302 120.200 -0.007 0.000 2.419 404 E HA 0.278 4.628 4.350 -0.000 0.000 0.190 404 E C 1.591 178.194 176.600 0.006 0.000 1.040 404 E CA -0.246 56.154 56.400 -0.001 0.000 0.900 404 E CB -0.279 29.422 29.700 0.001 0.000 1.054 404 E HN 0.455 nan 8.360 nan 0.000 0.462 405 R N 0.626 121.124 120.500 -0.002 0.000 2.134 405 R HA -0.254 4.086 4.340 -0.000 0.000 0.248 405 R C 0.897 177.174 176.300 -0.038 0.000 1.143 405 R CA 1.931 58.022 56.100 -0.015 0.000 0.957 405 R CB 0.203 30.485 30.300 -0.030 0.000 0.867 405 R HN 0.116 nan 8.270 nan 0.000 0.441 406 E N -0.512 119.664 120.200 -0.040 0.000 2.072 406 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 406 E C 2.079 178.658 176.600 -0.036 0.000 0.982 406 E CA 1.097 57.466 56.400 -0.052 0.000 0.803 406 E CB -0.159 29.513 29.700 -0.047 0.000 0.755 406 E HN 0.201 nan 8.360 nan 0.000 0.453 407 R N 0.097 120.588 120.500 -0.014 0.000 2.092 407 R HA 0.027 4.366 4.340 -0.000 0.000 0.231 407 R C 1.822 178.134 176.300 0.020 0.000 1.119 407 R CA 0.896 56.997 56.100 0.001 0.000 0.970 407 R CB -0.145 30.161 30.300 0.010 0.000 0.864 407 R HN 0.162 nan 8.270 nan 0.000 0.440 408 L N -1.025 120.221 121.223 0.040 0.000 2.418 408 L HA 0.214 4.554 4.340 -0.000 0.000 0.218 408 L C 0.933 177.852 176.870 0.082 0.000 1.125 408 L CA 0.504 55.405 54.840 0.102 0.000 0.835 408 L CB 0.140 42.292 42.059 0.156 0.000 0.953 408 L HN 0.523 nan 8.230 nan 0.000 0.454 409 G N 1.357 110.144 108.800 -0.023 0.000 2.246 409 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.273 409 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.273 409 G C 0.061 174.782 174.900 -0.297 0.000 1.055 409 G CA -0.160 44.858 45.100 -0.137 0.000 0.851 409 G HN 0.296 nan 8.290 nan 0.000 0.500 410 I N 0.580 121.022 120.570 -0.213 0.000 2.322 410 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 410 I C 0.848 176.718 176.117 -0.411 0.000 1.060 410 I CA -0.020 61.136 61.300 -0.239 0.000 1.309 410 I CB 0.611 38.610 38.000 -0.001 0.000 1.415 410 I HN 0.078 nan 8.210 nan 0.000 0.492 411 K N 3.437 123.280 120.400 -0.929 0.000 2.139 411 K HA 0.417 4.737 4.320 -0.000 0.000 0.243 411 K C 0.977 177.325 176.600 -0.420 0.000 0.983 411 K CA -0.580 55.147 56.287 -0.935 0.000 0.890 411 K CB 1.368 32.847 32.500 -1.702 0.000 1.090 411 K HN 0.585 nan 8.250 nan 0.000 0.445 412 T N -3.220 111.169 114.554 -0.276 0.000 3.037 412 T HA 0.070 4.420 4.350 -0.000 0.000 0.252 412 T C 0.634 175.317 174.700 -0.027 0.000 1.073 412 T CA -0.179 61.882 62.100 -0.065 0.000 1.091 412 T CB -0.086 68.745 68.868 -0.063 0.000 0.935 412 T HN 0.363 nan 8.240 nan 0.000 0.488 413 V N -1.380 118.444 119.914 -0.150 0.000 2.531 413 V HA 0.839 4.959 4.120 -0.000 0.000 0.301 413 V C -1.862 174.174 176.094 -0.097 0.000 1.034 413 V CA -1.604 60.676 62.300 -0.034 0.000 0.865 413 V CB 0.930 32.729 31.823 -0.041 0.000 0.995 413 V HN 0.353 nan 8.190 nan 0.000 0.424 414 W N 3.229 124.465 121.300 -0.106 0.000 2.950 414 W HA 0.755 5.415 4.660 -0.000 0.000 0.340 414 W C -2.924 173.587 176.519 -0.012 0.000 1.139 414 W CA -2.642 54.671 57.345 -0.054 0.000 1.188 414 W CB 1.464 30.905 29.460 -0.031 0.000 1.426 414 W HN 0.320 nan 8.180 nan 0.000 0.531 415 P HA 0.149 nan 4.420 nan 0.000 0.281 415 P C 0.859 178.299 177.300 0.234 0.000 1.252 415 P CA 0.239 63.450 63.100 0.185 0.000 0.778 415 P CB 0.995 32.784 31.700 0.149 0.000 0.895 416 T N 2.277 116.933 114.554 0.169 0.000 2.737 416 T HA -0.209 4.140 4.350 -0.000 0.000 0.269 416 T C 1.761 176.566 174.700 0.175 0.000 1.040 416 T CA 1.335 63.534 62.100 0.165 0.000 1.142 416 T CB -0.311 68.619 68.868 0.104 0.000 0.861 416 T HN 0.432 nan 8.240 nan 0.000 0.456 417 R N 0.740 121.327 120.500 0.145 0.000 2.091 417 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 417 R C 2.403 178.793 176.300 0.150 0.000 1.136 417 R CA 1.626 57.800 56.100 0.122 0.000 0.959 417 R CB -0.088 30.273 30.300 0.103 0.000 0.856 417 R HN 0.489 nan 8.270 nan 0.000 0.437 418 E N -1.048 119.278 120.200 0.210 0.000 2.106 418 E HA -0.228 4.121 4.350 -0.000 0.000 0.192 418 E C 1.619 178.418 176.600 0.331 0.000 0.984 418 E CA 1.093 57.658 56.400 0.275 0.000 0.806 418 E CB -0.121 29.774 29.700 0.327 0.000 0.750 418 E HN 0.360 nan 8.360 nan 0.000 0.458 419 Y N 1.422 121.802 120.300 0.133 0.000 2.181 419 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 419 Y C 2.339 178.177 175.900 -0.103 0.000 1.146 419 Y CA 1.691 59.635 58.100 -0.260 0.000 1.164 419 Y CB -0.483 37.677 38.460 -0.500 0.000 0.982 419 Y HN -0.087 nan 8.280 nan 0.000 0.515 420 T N 0.339 114.840 114.554 -0.089 0.000 2.746 420 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 420 T C 1.365 176.016 174.700 -0.082 0.000 1.039 420 T CA 1.678 63.701 62.100 -0.129 0.000 1.142 420 T CB -0.330 68.536 68.868 -0.003 0.000 0.866 420 T HN 0.375 nan 8.240 nan 0.000 0.444 421 D N 0.563 120.980 120.400 0.029 0.000 2.117 421 D HA -0.054 4.586 4.640 -0.000 0.000 0.197 421 D C 1.689 178.049 176.300 0.099 0.000 0.987 421 D CA 0.681 54.728 54.000 0.077 0.000 0.829 421 D CB -0.498 40.377 40.800 0.125 0.000 0.961 421 D HN 0.373 nan 8.370 nan 0.000 0.460 422 F N 1.930 121.847 119.950 -0.055 0.000 2.161 422 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 422 F C 2.227 177.966 175.800 -0.102 0.000 1.089 422 F CA 1.358 59.338 58.000 -0.034 0.000 1.282 422 F CB 0.023 38.951 39.000 -0.120 0.000 1.010 422 F HN -0.204 nan 8.300 nan 0.000 0.485 423 R N 0.239 120.523 120.500 -0.360 0.000 2.092 423 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 423 R C 2.184 178.363 176.300 -0.201 0.000 1.119 423 R CA 1.759 57.617 56.100 -0.403 0.000 0.970 423 R CB -0.421 29.631 30.300 -0.415 0.000 0.864 423 R HN 0.420 nan 8.270 nan 0.000 0.440 424 E N -0.289 119.839 120.200 -0.120 0.000 2.031 424 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 424 E C 1.586 178.144 176.600 -0.071 0.000 0.994 424 E CA 1.114 57.475 56.400 -0.066 0.000 0.800 424 E CB -0.171 29.517 29.700 -0.019 0.000 0.752 424 E HN 0.301 nan 8.360 nan 0.000 0.447 425 Y N -0.409 119.817 120.300 -0.123 0.000 2.556 425 Y HA -0.229 4.321 4.550 -0.000 0.000 0.290 425 Y C 1.703 177.518 175.900 -0.142 0.000 1.149 425 Y CA 1.166 59.202 58.100 -0.107 0.000 1.329 425 Y CB 0.037 38.462 38.460 -0.058 0.000 0.975 425 Y HN 0.074 nan 8.280 nan 0.000 0.561 426 F N -0.997 118.764 119.950 -0.316 0.000 2.274 426 F HA -0.001 4.526 4.527 0.000 0.000 0.288 426 F C 1.869 177.526 175.800 -0.239 0.000 1.069 426 F CA 0.818 58.621 58.000 -0.327 0.000 1.343 426 F CB -0.205 38.483 39.000 -0.519 0.000 1.089 426 F HN -0.155 nan 8.300 nan 0.000 0.517 427 M N 0.479 120.038 119.600 -0.069 0.000 2.700 427 M HA -0.029 4.451 4.480 -0.000 0.000 0.249 427 M C -0.255 175.921 176.300 -0.206 0.000 1.082 427 M CA 1.060 56.288 55.300 -0.120 0.000 1.077 427 M CB -0.376 32.197 32.600 -0.045 0.000 1.477 427 M HN 0.125 nan 8.290 nan 0.000 0.529 428 E N 0.000 120.033 120.200 -0.279 0.000 2.725 428 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 428 E CA 0.000 56.227 56.400 -0.289 0.000 0.976 428 E CB 0.000 29.522 29.700 -0.296 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440