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 3dzv_1_A DATA FIRST_RESID 2 DATA SEQUENCE KTSVKFETIF PLTTAPLIQC ITNEITCESX ANALLYIDAK PIXADDPREF DATA SEQUENCE PQXFQQTSAL VLNLGHLSQE REQSLLAASD YARQVNKLTV VDLVGYGASD DATA SEQUENCE IRNEVGEKLV HNQPTVVKGN LSEXRTFCQL VSHXXXXXXX PLDQSEEAIE DATA SEQUENCE ELIQALRQQT QKFPQTVFLA TGIQDVLVSQ EQVIVLQNGV PELDCFTGTG DATA SEQUENCE DLVGALVAAL LGEGNAPXTA AVAAVSYFNL CGEKAKTKSQ GLADFRQNTL DATA SEQUENCE NQLSLLXKEK DWFEAVKGRV L 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.637 176.600 0.061 0.000 0.988 2 K CA 0.000 56.322 56.287 0.058 0.000 0.838 2 K CB 0.000 32.524 32.500 0.040 0.000 1.064 3 T N -0.660 113.931 114.554 0.062 0.000 2.889 3 T HA 0.204 4.554 4.350 -0.000 0.000 0.315 3 T C 0.665 175.365 174.700 0.000 0.000 1.291 3 T CA -0.101 62.025 62.100 0.044 0.000 1.028 3 T CB 1.560 70.483 68.868 0.092 0.000 1.235 3 T HN 0.412 nan 8.240 nan 0.000 0.491 4 S N 1.950 117.630 115.700 -0.033 0.000 2.522 4 S HA 0.119 4.589 4.470 -0.000 0.000 0.227 4 S C 0.717 175.239 174.600 -0.129 0.000 0.986 4 S CA 0.121 58.283 58.200 -0.064 0.000 0.929 4 S CB -0.193 62.975 63.200 -0.054 0.000 0.769 4 S HN 0.542 nan 8.310 nan 0.000 0.529 5 V N 2.782 122.575 119.914 -0.200 0.000 2.439 5 V HA 0.452 4.572 4.120 -0.000 0.000 0.271 5 V C 0.940 176.735 176.094 -0.499 0.000 1.040 5 V CA 0.302 62.359 62.300 -0.405 0.000 1.002 5 V CB 0.048 31.512 31.823 -0.598 0.000 1.000 5 V HN 0.586 nan 8.190 nan 0.000 0.477 6 K N 5.258 125.426 120.400 -0.386 0.000 2.502 6 K HA 0.244 4.564 4.320 -0.000 0.000 0.244 6 K C 0.656 177.038 176.600 -0.364 0.000 1.249 6 K CA -0.216 55.887 56.287 -0.305 0.000 1.193 6 K CB -1.110 31.272 32.500 -0.196 0.000 1.674 6 K HN 0.605 nan 8.250 nan 0.000 0.302 7 F N 1.337 121.020 119.950 -0.445 0.000 2.184 7 F HA -0.232 4.295 4.527 -0.000 0.000 0.301 7 F C 1.991 177.395 175.800 -0.659 0.000 1.076 7 F CA 2.090 59.738 58.000 -0.586 0.000 1.295 7 F CB -0.261 38.127 39.000 -1.020 0.000 1.026 7 F HN 0.606 nan 8.300 nan 0.000 0.494 8 E N -0.599 119.210 120.200 -0.651 0.000 2.171 8 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 8 E C 2.084 178.690 176.600 0.010 0.000 0.997 8 E CA 1.881 58.108 56.400 -0.288 0.000 0.810 8 E CB -1.068 28.559 29.700 -0.122 0.000 0.738 8 E HN 0.492 nan 8.360 nan 0.000 0.467 9 T N -1.879 112.643 114.554 -0.053 0.000 3.060 9 T HA 0.140 4.490 4.350 -0.000 0.000 0.249 9 T C 1.620 176.295 174.700 -0.041 0.000 1.079 9 T CA -0.180 61.906 62.100 -0.022 0.000 1.013 9 T CB 0.001 68.828 68.868 -0.068 0.000 0.975 9 T HN -0.051 nan 8.240 nan 0.000 0.518 10 I N 0.587 121.120 120.570 -0.061 0.000 2.202 10 I HA 0.166 4.336 4.170 -0.000 0.000 0.242 10 I C 0.505 176.366 176.117 -0.427 0.000 1.091 10 I CA 0.807 61.938 61.300 -0.282 0.000 1.368 10 I CB -0.868 36.907 38.000 -0.375 0.000 1.058 10 I HN 0.231 nan 8.210 nan 0.000 0.410 11 F N 1.778 121.801 119.950 0.123 0.000 2.507 11 F HA 0.469 4.996 4.527 -0.000 0.000 0.327 11 F C -1.708 174.145 175.800 0.088 0.000 1.068 11 F CA -2.485 55.542 58.000 0.044 0.000 0.965 11 F CB 0.096 39.060 39.000 -0.059 0.000 1.192 11 F HN -0.098 nan 8.300 nan 0.000 0.476 12 P HA 0.292 nan 4.420 nan 0.000 0.276 12 P C -0.887 176.493 177.300 0.134 0.000 1.244 12 P CA -0.430 62.813 63.100 0.239 0.000 0.801 12 P CB 0.997 32.781 31.700 0.140 0.000 1.006 13 L N 1.481 122.785 121.223 0.134 0.000 2.456 13 L HA 0.134 4.474 4.340 -0.000 0.000 0.272 13 L C 1.612 178.503 176.870 0.036 0.000 1.189 13 L CA 0.240 55.103 54.840 0.038 0.000 0.846 13 L CB 0.214 42.296 42.059 0.039 0.000 1.111 13 L HN 0.595 nan 8.230 nan 0.000 0.475 14 T N -4.677 109.883 114.554 0.010 0.000 3.003 14 T HA -0.023 4.327 4.350 -0.000 0.000 0.261 14 T C 1.188 175.889 174.700 0.002 0.000 1.003 14 T CA 0.365 62.472 62.100 0.012 0.000 0.917 14 T CB 0.104 68.978 68.868 0.010 0.000 1.084 14 T HN 0.699 nan 8.240 nan 0.000 0.522 15 T N -0.417 114.132 114.554 -0.007 0.000 3.086 15 T HA 0.569 4.919 4.350 -0.000 0.000 0.250 15 T C 1.243 175.937 174.700 -0.010 0.000 1.074 15 T CA 0.362 62.455 62.100 -0.012 0.000 0.988 15 T CB -0.549 68.306 68.868 -0.022 0.000 0.988 15 T HN 1.091 nan 8.240 nan 0.000 0.530 16 A N 2.739 125.557 122.820 -0.002 0.000 2.312 16 A HA -0.056 4.264 4.320 -0.000 0.000 0.286 16 A C -1.834 175.742 177.584 -0.012 0.000 1.425 16 A CA 0.169 52.205 52.037 -0.001 0.000 0.748 16 A CB -1.876 17.125 19.000 0.003 0.000 1.126 16 A HN 0.598 nan 8.150 nan 0.000 0.368 17 P HA 0.387 nan 4.420 nan 0.000 0.275 17 P C -0.278 177.000 177.300 -0.038 0.000 1.227 17 P CA -0.383 62.697 63.100 -0.033 0.000 0.781 17 P CB 1.024 32.699 31.700 -0.042 0.000 0.906 18 L N 5.014 126.209 121.223 -0.047 0.000 2.278 18 L HA 0.301 4.641 4.340 -0.000 0.000 0.287 18 L C -0.473 176.348 176.870 -0.081 0.000 1.072 18 L CA -0.195 54.612 54.840 -0.054 0.000 0.819 18 L CB -0.443 41.587 42.059 -0.048 0.000 1.176 18 L HN 0.205 nan 8.230 nan 0.000 0.435 19 I N 5.273 125.796 120.570 -0.079 0.000 2.382 19 I HA 0.301 4.471 4.170 -0.000 0.000 0.285 19 I C -0.003 176.051 176.117 -0.105 0.000 1.007 19 I CA -0.342 60.900 61.300 -0.097 0.000 1.142 19 I CB 1.371 39.326 38.000 -0.074 0.000 1.289 19 I HN 0.659 nan 8.210 nan 0.000 0.453 20 Q N 5.203 124.913 119.800 -0.149 0.000 2.274 20 Q HA 0.345 4.685 4.340 -0.000 0.000 0.256 20 Q C -1.278 174.650 176.000 -0.120 0.000 0.927 20 Q CA -0.296 55.422 55.803 -0.142 0.000 0.939 20 Q CB 1.312 29.915 28.738 -0.225 0.000 1.201 20 Q HN 0.707 nan 8.270 nan 0.000 0.426 21 C N 6.184 125.441 119.300 -0.072 0.000 2.264 21 C HA 0.460 4.920 4.460 -0.000 0.000 0.322 21 C C 0.133 175.112 174.990 -0.018 0.000 1.210 21 C CA -0.756 58.231 59.018 -0.051 0.000 1.539 21 C CB -0.484 27.231 27.740 -0.042 0.000 2.167 21 C HN 0.775 nan 8.230 nan 0.000 0.463 22 I N 3.724 124.286 120.570 -0.013 0.000 2.268 22 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 22 I C 0.630 176.762 176.117 0.025 0.000 1.125 22 I CA 0.764 62.082 61.300 0.031 0.000 1.236 22 I CB 0.190 38.221 38.000 0.051 0.000 1.469 22 I HN 0.642 nan 8.210 nan 0.000 0.512 23 T N 3.725 118.293 114.554 0.024 0.000 2.864 23 T HA 0.366 4.716 4.350 -0.000 0.000 0.289 23 T C -0.458 174.258 174.700 0.027 0.000 1.082 23 T CA -0.757 61.352 62.100 0.016 0.000 1.009 23 T CB 1.492 70.356 68.868 -0.006 0.000 1.234 23 T HN 0.655 nan 8.240 nan 0.000 0.526 24 N N 0.474 119.189 118.700 0.025 0.000 2.444 24 N HA 0.158 4.898 4.740 -0.000 0.000 0.255 24 N C 0.791 176.284 175.510 -0.028 0.000 1.255 24 N CA -0.111 52.955 53.050 0.027 0.000 0.933 24 N CB 0.316 38.832 38.487 0.049 0.000 1.143 24 N HN 0.813 nan 8.380 nan 0.000 0.453 25 E N 0.365 120.506 120.200 -0.097 0.000 2.481 25 E HA -0.056 4.294 4.350 -0.000 0.000 0.195 25 E C 0.721 177.246 176.600 -0.126 0.000 1.047 25 E CA 0.214 56.541 56.400 -0.122 0.000 0.867 25 E CB -0.148 29.447 29.700 -0.175 0.000 0.858 25 E HN 0.559 nan 8.360 nan 0.000 0.513 26 I N 2.039 122.536 120.570 -0.122 0.000 2.339 26 I HA -0.116 4.054 4.170 -0.000 0.000 0.245 26 I C 2.372 178.473 176.117 -0.027 0.000 1.096 26 I CA 1.693 62.947 61.300 -0.077 0.000 1.408 26 I CB -1.331 36.638 38.000 -0.052 0.000 1.092 26 I HN 0.277 nan 8.210 nan 0.000 0.423 27 T N -2.080 112.464 114.554 -0.016 0.000 3.085 27 T HA 0.048 4.398 4.350 -0.000 0.000 0.264 27 T C 1.761 176.458 174.700 -0.005 0.000 1.019 27 T CA 0.246 62.350 62.100 0.006 0.000 0.910 27 T CB -1.015 67.860 68.868 0.012 0.000 1.059 27 T HN 0.435 nan 8.240 nan 0.000 0.542 28 C N 0.431 119.720 119.300 -0.019 0.000 2.435 28 C HA 0.095 4.555 4.460 -0.000 0.000 0.279 28 C C 2.383 177.356 174.990 -0.028 0.000 1.321 28 C CA 0.773 59.777 59.018 -0.023 0.000 1.752 28 C CB -1.306 26.421 27.740 -0.023 0.000 1.959 28 C HN 0.662 nan 8.230 nan 0.000 0.500 29 E N 1.696 121.882 120.200 -0.023 0.000 2.051 29 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 29 E C 1.253 177.826 176.600 -0.046 0.000 0.991 29 E CA 1.042 57.424 56.400 -0.030 0.000 0.799 29 E CB 0.042 29.731 29.700 -0.018 0.000 0.748 29 E HN 0.671 nan 8.360 nan 0.000 0.449 33 N N 1.587 120.112 118.700 -0.291 0.000 2.084 33 N HA -0.109 4.631 4.740 -0.000 0.000 0.190 33 N C 1.983 176.939 175.510 -0.923 0.000 1.030 33 N CA 1.917 54.568 53.050 -0.666 0.000 0.849 33 N CB -0.557 37.536 38.487 -0.657 0.000 1.012 33 N HN 0.649 nan 8.380 nan 0.000 0.423 34 A N 1.718 124.267 122.820 -0.453 0.000 1.884 34 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 34 A C 2.443 179.975 177.584 -0.087 0.000 1.197 34 A CA 1.347 53.289 52.037 -0.157 0.000 0.637 34 A CB -1.018 17.990 19.000 0.014 0.000 0.827 34 A HN 0.261 nan 8.150 nan 0.000 0.450 35 L N -0.962 120.203 121.223 -0.097 0.000 2.083 35 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 35 L C 2.598 179.449 176.870 -0.033 0.000 1.083 35 L CA 1.077 55.893 54.840 -0.040 0.000 0.752 35 L CB -0.445 41.585 42.059 -0.049 0.000 0.899 35 L HN 0.393 nan 8.230 nan 0.000 0.433 36 L N -1.842 119.320 121.223 -0.103 0.000 2.109 36 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 36 L C 2.534 179.467 176.870 0.104 0.000 1.086 36 L CA 0.823 55.645 54.840 -0.030 0.000 0.760 36 L CB -0.509 41.509 42.059 -0.069 0.000 0.910 36 L HN 0.208 nan 8.230 nan 0.000 0.437 37 Y N 0.306 120.613 120.300 0.011 0.000 2.403 37 Y HA -0.146 4.404 4.550 -0.000 0.000 0.291 37 Y C 2.068 177.965 175.900 -0.005 0.000 1.143 37 Y CA 0.490 58.590 58.100 -0.000 0.000 1.257 37 Y CB -0.714 37.744 38.460 -0.002 0.000 0.984 37 Y HN 0.304 nan 8.280 nan 0.000 0.550 38 I N -3.786 116.876 120.570 0.153 0.000 3.914 38 I HA 0.261 4.431 4.170 -0.000 0.000 0.333 38 I C -0.117 176.060 176.117 0.100 0.000 1.449 38 I CA 0.073 61.429 61.300 0.093 0.000 1.135 38 I CB 0.053 38.119 38.000 0.110 0.000 1.073 38 I HN -0.119 nan 8.210 nan 0.000 0.401 39 D N 1.645 122.095 120.400 0.083 0.000 2.907 39 D HA -0.158 4.482 4.640 -0.000 0.000 0.226 39 D C 0.561 176.888 176.300 0.045 0.000 1.141 39 D CA 0.923 54.960 54.000 0.062 0.000 0.779 39 D CB -0.653 40.185 40.800 0.063 0.000 1.095 39 D HN 0.682 nan 8.370 nan 0.000 0.430 40 A N -0.096 122.746 122.820 0.036 0.000 2.242 40 A HA 0.554 4.874 4.320 -0.000 0.000 0.304 40 A C 0.224 177.807 177.584 -0.002 0.000 1.100 40 A CA -0.310 51.734 52.037 0.011 0.000 0.860 40 A CB 1.243 20.247 19.000 0.005 0.000 1.168 40 A HN -0.020 nan 8.150 nan 0.000 0.503 41 K N 2.191 122.583 120.400 -0.015 0.000 2.449 41 K HA 0.517 4.837 4.320 -0.000 0.000 0.257 41 K C -3.029 173.552 176.600 -0.032 0.000 0.989 41 K CA -1.556 54.720 56.287 -0.019 0.000 0.916 41 K CB 1.424 33.915 32.500 -0.015 0.000 1.136 41 K HN 0.722 nan 8.250 nan 0.000 0.439 42 P HA 0.463 nan 4.420 nan 0.000 0.279 42 P C -0.524 176.755 177.300 -0.036 0.000 1.239 42 P CA -0.532 62.542 63.100 -0.044 0.000 0.789 42 P CB 1.113 32.782 31.700 -0.053 0.000 0.933 46 D N 0.964 121.484 120.400 0.201 0.000 2.562 46 D HA 0.083 4.723 4.640 -0.000 0.000 0.246 46 D C -0.573 175.869 176.300 0.235 0.000 1.347 46 D CA 0.039 54.221 54.000 0.303 0.000 0.800 46 D CB 0.346 41.260 40.800 0.190 0.000 1.111 46 D HN 0.373 nan 8.370 nan 0.000 0.508 47 D N 1.779 122.235 120.400 0.094 0.000 2.325 47 D HA 0.136 4.776 4.640 -0.000 0.000 0.251 47 D C -1.540 174.441 176.300 -0.531 0.000 1.196 47 D CA -1.741 52.180 54.000 -0.131 0.000 0.866 47 D CB 2.267 43.017 40.800 -0.084 0.000 1.101 47 D HN -0.120 nan 8.370 nan 0.000 0.476 48 P HA -0.102 nan 4.420 nan 0.000 0.218 48 P C 1.072 177.808 177.300 -0.939 0.000 1.146 48 P CA 0.981 63.090 63.100 -1.653 0.000 0.813 48 P CB 0.238 31.428 31.700 -0.850 0.000 0.778 49 R N -0.194 120.016 120.500 -0.483 0.000 2.193 49 R HA -0.111 4.229 4.340 -0.000 0.000 0.229 49 R C 1.796 177.982 176.300 -0.189 0.000 1.110 49 R CA 1.026 56.962 56.100 -0.274 0.000 0.988 49 R CB -0.459 29.739 30.300 -0.169 0.000 0.871 49 R HN 0.415 nan 8.270 nan 0.000 0.458 50 E N -0.388 119.722 120.200 -0.150 0.000 2.442 50 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 50 E C 1.162 177.868 176.600 0.178 0.000 1.030 50 E CA 0.063 56.484 56.400 0.036 0.000 0.869 50 E CB 0.135 29.903 29.700 0.112 0.000 0.857 50 E HN 0.183 nan 8.360 nan 0.000 0.505 51 F N 1.137 121.022 119.950 -0.108 0.000 2.095 51 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 51 F C -0.523 175.185 175.800 -0.154 0.000 1.104 51 F CA 0.479 58.377 58.000 -0.170 0.000 1.232 51 F CB -2.173 36.445 39.000 -0.637 0.000 0.987 51 F HN 0.059 nan 8.300 nan 0.000 0.475 52 P HA -0.170 nan 4.420 nan 0.000 0.215 52 P C 0.564 177.968 177.300 0.174 0.000 1.157 52 P CA 1.459 64.581 63.100 0.037 0.000 0.874 52 P CB -0.047 31.640 31.700 -0.023 0.000 0.790 56 Q N 0.397 120.344 119.800 0.245 0.000 2.226 56 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 56 Q C 1.384 177.423 176.000 0.066 0.000 0.975 56 Q CA 1.537 57.418 55.803 0.130 0.000 0.866 56 Q CB 0.004 28.811 28.738 0.115 0.000 0.915 56 Q HN 0.381 nan 8.270 nan 0.000 0.440 57 Q N -0.366 119.466 119.800 0.054 0.000 2.391 57 Q HA 0.037 4.377 4.340 -0.000 0.000 0.211 57 Q C 0.865 176.848 176.000 -0.029 0.000 0.908 57 Q CA 0.637 56.448 55.803 0.014 0.000 0.920 57 Q CB 0.564 29.314 28.738 0.021 0.000 1.056 57 Q HN 0.366 nan 8.270 nan 0.000 0.523 58 T N -1.559 112.951 114.554 -0.074 0.000 2.904 58 T HA 0.370 4.720 4.350 -0.000 0.000 0.290 58 T C 1.023 175.645 174.700 -0.131 0.000 1.018 58 T CA -0.331 61.687 62.100 -0.138 0.000 1.075 58 T CB 1.518 70.223 68.868 -0.272 0.000 0.986 58 T HN -0.081 nan 8.240 nan 0.000 0.523 59 S N 0.864 116.492 115.700 -0.121 0.000 2.483 59 S HA 0.565 5.035 4.470 -0.000 0.000 0.221 59 S C 0.775 175.300 174.600 -0.125 0.000 1.030 59 S CA -0.035 58.104 58.200 -0.103 0.000 0.925 59 S CB 0.091 63.245 63.200 -0.077 0.000 0.795 59 S HN 1.191 nan 8.310 nan 0.000 0.511 60 A N 0.641 123.369 122.820 -0.154 0.000 2.610 60 A HA 0.773 5.093 4.320 -0.000 0.000 0.291 60 A C -2.191 175.269 177.584 -0.207 0.000 1.086 60 A CA -0.615 51.324 52.037 -0.163 0.000 0.677 60 A CB 1.103 20.029 19.000 -0.122 0.000 1.278 60 A HN 0.195 nan 8.150 nan 0.000 0.414 61 L N 0.650 121.751 121.223 -0.202 0.000 2.408 61 L HA 0.762 5.102 4.340 -0.000 0.000 0.268 61 L C -1.318 175.464 176.870 -0.146 0.000 0.986 61 L CA -0.473 54.236 54.840 -0.218 0.000 0.820 61 L CB 2.099 43.994 42.059 -0.274 0.000 1.303 61 L HN 0.517 nan 8.230 nan 0.000 0.411 62 V N 6.212 126.052 119.914 -0.123 0.000 2.370 62 V HA 0.451 4.571 4.120 -0.000 0.000 0.283 62 V C -0.218 175.833 176.094 -0.072 0.000 1.023 62 V CA -0.444 61.800 62.300 -0.093 0.000 0.857 62 V CB 1.454 33.230 31.823 -0.079 0.000 0.985 62 V HN 0.571 nan 8.190 nan 0.000 0.443 63 L N 5.368 126.553 121.223 -0.063 0.000 2.301 63 L HA 0.502 4.842 4.340 -0.000 0.000 0.278 63 L C 0.063 176.914 176.870 -0.032 0.000 1.022 63 L CA -0.136 54.684 54.840 -0.034 0.000 0.854 63 L CB 0.929 42.972 42.059 -0.027 0.000 1.226 63 L HN 0.587 nan 8.230 nan 0.000 0.429 64 N N 2.820 121.511 118.700 -0.014 0.000 2.419 64 N HA 0.132 4.872 4.740 -0.000 0.000 0.277 64 N C 0.331 175.851 175.510 0.017 0.000 1.006 64 N CA -0.506 52.538 53.050 -0.010 0.000 0.923 64 N CB 2.106 40.586 38.487 -0.011 0.000 1.140 64 N HN 0.457 nan 8.380 nan 0.000 0.488 65 L N 3.438 124.674 121.223 0.022 0.000 2.599 65 L HA 0.305 4.645 4.340 -0.000 0.000 0.230 65 L C 1.153 178.054 176.870 0.052 0.000 1.141 65 L CA 0.199 55.066 54.840 0.044 0.000 0.877 65 L CB -0.762 41.333 42.059 0.061 0.000 1.009 65 L HN 0.622 nan 8.230 nan 0.000 0.447 66 G N -1.681 107.152 108.800 0.055 0.000 2.491 66 G HA2 0.100 4.060 3.960 -0.000 0.000 0.238 66 G HA3 0.100 4.060 3.960 -0.000 0.000 0.238 66 G C -0.359 174.625 174.900 0.140 0.000 1.277 66 G CA 0.119 45.268 45.100 0.081 0.000 0.851 66 G HN 0.585 nan 8.290 nan 0.000 0.573 67 H N -1.235 117.843 119.070 0.014 0.000 2.672 67 H HA -0.166 4.390 4.556 -0.000 0.000 0.325 67 H C 0.316 175.653 175.328 0.015 0.000 1.158 67 H CA 0.050 56.106 56.048 0.013 0.000 1.134 67 H CB -1.157 28.613 29.762 0.013 0.000 1.553 67 H HN 0.436 nan 8.280 nan 0.000 0.419 68 L N 1.570 122.751 121.223 -0.070 0.000 2.483 68 L HA 0.366 4.706 4.340 -0.000 0.000 0.276 68 L C 0.570 177.372 176.870 -0.113 0.000 1.213 68 L CA 1.490 56.297 54.840 -0.055 0.000 0.843 68 L CB 0.760 42.796 42.059 -0.039 0.000 1.107 68 L HN 0.674 nan 8.230 nan 0.000 0.487 69 S N 1.680 117.352 115.700 -0.047 0.000 2.636 69 S HA 0.360 4.830 4.470 -0.000 0.000 0.268 69 S C 0.299 174.893 174.600 -0.010 0.000 1.159 69 S CA -0.521 57.654 58.200 -0.042 0.000 0.815 69 S CB 0.828 64.013 63.200 -0.026 0.000 1.130 69 S HN 0.578 nan 8.310 nan 0.000 0.471 70 Q N 0.564 120.359 119.800 -0.008 0.000 2.077 70 Q HA -0.125 4.215 4.340 -0.000 0.000 0.206 70 Q C 2.171 178.176 176.000 0.008 0.000 0.989 70 Q CA 2.208 58.011 55.803 -0.001 0.000 0.853 70 Q CB -0.492 28.244 28.738 -0.004 0.000 0.907 70 Q HN 0.739 nan 8.270 nan 0.000 0.418 71 E N 0.666 120.874 120.200 0.013 0.000 2.047 71 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 71 E C 1.948 178.569 176.600 0.035 0.000 0.987 71 E CA 1.122 57.534 56.400 0.019 0.000 0.799 71 E CB -0.058 29.655 29.700 0.022 0.000 0.752 71 E HN 0.357 nan 8.360 nan 0.000 0.449 72 R N -0.149 120.379 120.500 0.045 0.000 2.115 72 R HA -0.078 4.262 4.340 -0.000 0.000 0.230 72 R C 2.666 179.001 176.300 0.059 0.000 1.111 72 R CA 1.508 57.645 56.100 0.062 0.000 0.976 72 R CB -0.387 29.954 30.300 0.069 0.000 0.870 72 R HN 0.501 nan 8.270 nan 0.000 0.445 73 E N 0.761 120.986 120.200 0.041 0.000 2.051 73 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 73 E C 1.953 178.583 176.600 0.050 0.000 0.991 73 E CA 1.026 57.450 56.400 0.041 0.000 0.799 73 E CB 0.214 29.928 29.700 0.024 0.000 0.748 73 E HN 0.209 nan 8.360 nan 0.000 0.449 74 Q N 0.279 120.102 119.800 0.038 0.000 2.061 74 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 74 Q C 2.430 178.470 176.000 0.067 0.000 0.984 74 Q CA 1.616 57.439 55.803 0.034 0.000 0.846 74 Q CB -0.306 28.433 28.738 0.003 0.000 0.902 74 Q HN 0.218 nan 8.270 nan 0.000 0.421 75 S N 1.143 116.897 115.700 0.090 0.000 2.356 75 S HA -0.088 4.382 4.470 -0.000 0.000 0.223 75 S C 2.169 176.913 174.600 0.241 0.000 1.032 75 S CA 0.852 59.165 58.200 0.189 0.000 1.005 75 S CB -0.305 63.011 63.200 0.194 0.000 0.867 75 S HN 0.245 nan 8.310 nan 0.000 0.449 76 L N 1.002 122.316 121.223 0.151 0.000 2.017 76 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 76 L C 2.306 179.252 176.870 0.127 0.000 1.073 76 L CA 1.180 56.095 54.840 0.124 0.000 0.745 76 L CB -0.532 41.577 42.059 0.084 0.000 0.894 76 L HN 0.287 nan 8.230 nan 0.000 0.432 77 L N -0.867 120.424 121.223 0.113 0.000 2.093 77 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 77 L C 2.846 179.796 176.870 0.133 0.000 1.085 77 L CA 0.979 55.882 54.840 0.105 0.000 0.755 77 L CB -0.758 41.349 42.059 0.079 0.000 0.904 77 L HN 0.240 nan 8.230 nan 0.000 0.435 78 A N 0.311 123.231 122.820 0.165 0.000 1.877 78 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 78 A C 2.541 180.313 177.584 0.314 0.000 1.186 78 A CA 1.848 54.013 52.037 0.213 0.000 0.620 78 A CB -0.752 18.360 19.000 0.185 0.000 0.822 78 A HN 0.386 nan 8.150 nan 0.000 0.443 79 A N -0.946 122.094 122.820 0.366 0.000 1.933 79 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 79 A C 2.481 180.163 177.584 0.163 0.000 1.175 79 A CA 2.162 54.284 52.037 0.142 0.000 0.628 79 A CB -0.898 18.103 19.000 0.002 0.000 0.814 79 A HN 0.589 nan 8.150 nan 0.000 0.444 80 S N -0.334 115.448 115.700 0.137 0.000 2.355 80 S HA -0.183 4.287 4.470 -0.000 0.000 0.222 80 S C 1.724 176.388 174.600 0.107 0.000 1.031 80 S CA 1.692 59.952 58.200 0.100 0.000 0.993 80 S CB -0.485 62.763 63.200 0.079 0.000 0.859 80 S HN 0.550 nan 8.310 nan 0.000 0.453 81 D N -0.284 120.192 120.400 0.127 0.000 2.097 81 D HA -0.085 4.555 4.640 -0.000 0.000 0.195 81 D C 1.640 178.014 176.300 0.123 0.000 0.989 81 D CA 1.221 55.292 54.000 0.119 0.000 0.827 81 D CB -0.547 40.327 40.800 0.124 0.000 0.966 81 D HN 0.529 nan 8.370 nan 0.000 0.456 82 Y N 1.410 121.699 120.300 -0.019 0.000 2.200 82 Y HA -0.100 4.450 4.550 -0.000 0.000 0.290 82 Y C 2.238 178.112 175.900 -0.043 0.000 1.137 82 Y CA 1.269 59.300 58.100 -0.115 0.000 1.163 82 Y CB -0.476 37.783 38.460 -0.336 0.000 0.988 82 Y HN -0.056 nan 8.280 nan 0.000 0.518 83 A N 0.164 123.058 122.820 0.123 0.000 1.908 83 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 83 A C 2.247 179.834 177.584 0.005 0.000 1.181 83 A CA 1.989 54.126 52.037 0.167 0.000 0.627 83 A CB -0.681 18.425 19.000 0.178 0.000 0.818 83 A HN 0.440 nan 8.150 nan 0.000 0.445 84 R N -0.376 120.123 120.500 -0.002 0.000 2.073 84 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 84 R C 2.468 178.732 176.300 -0.060 0.000 1.134 84 R CA 2.257 58.344 56.100 -0.022 0.000 0.952 84 R CB -1.082 29.221 30.300 0.005 0.000 0.850 84 R HN 0.451 nan 8.270 nan 0.000 0.433 85 Q N -0.258 119.485 119.800 -0.096 0.000 2.096 85 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 85 Q C 1.786 177.677 176.000 -0.181 0.000 0.982 85 Q CA 1.740 57.464 55.803 -0.132 0.000 0.850 85 Q CB -0.549 28.098 28.738 -0.152 0.000 0.901 85 Q HN 0.551 nan 8.270 nan 0.000 0.422 86 V N -2.983 116.773 119.914 -0.263 0.000 3.376 86 V HA 0.356 4.476 4.120 -0.000 0.000 0.313 86 V C 0.199 176.235 176.094 -0.097 0.000 1.393 86 V CA 0.331 62.510 62.300 -0.201 0.000 1.125 86 V CB -0.713 30.936 31.823 -0.290 0.000 1.037 86 V HN 0.598 nan 8.190 nan 0.000 0.440 87 N N 1.001 119.655 118.700 -0.076 0.000 2.725 87 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 87 N C 0.043 175.526 175.510 -0.046 0.000 1.031 87 N CA 1.321 54.340 53.050 -0.052 0.000 0.720 87 N CB -0.680 37.779 38.487 -0.047 0.000 0.930 87 N HN 0.727 nan 8.380 nan 0.000 0.543 88 K N 1.059 121.440 120.400 -0.032 0.000 2.322 88 K HA 0.309 4.629 4.320 -0.000 0.000 0.283 88 K C 0.371 176.926 176.600 -0.075 0.000 1.042 88 K CA -0.314 55.941 56.287 -0.053 0.000 0.958 88 K CB 0.476 32.950 32.500 -0.043 0.000 0.984 88 K HN 0.200 nan 8.250 nan 0.000 0.473 89 L N 3.720 124.887 121.223 -0.092 0.000 2.499 89 L HA 0.133 4.473 4.340 -0.000 0.000 0.273 89 L C -0.048 176.754 176.870 -0.114 0.000 1.195 89 L CA 0.560 55.342 54.840 -0.096 0.000 0.882 89 L CB 0.486 42.488 42.059 -0.095 0.000 1.133 89 L HN 0.691 nan 8.230 nan 0.000 0.483 90 T N 2.430 116.918 114.554 -0.110 0.000 2.971 90 T HA 0.409 4.759 4.350 -0.000 0.000 0.304 90 T C -0.615 174.007 174.700 -0.130 0.000 1.038 90 T CA -0.472 61.559 62.100 -0.116 0.000 1.007 90 T CB 1.996 70.808 68.868 -0.094 0.000 1.055 90 T HN 0.141 nan 8.240 nan 0.000 0.451 91 V N 3.537 123.375 119.914 -0.127 0.000 2.370 91 V HA 0.458 4.578 4.120 -0.000 0.000 0.283 91 V C -0.079 175.933 176.094 -0.136 0.000 1.023 91 V CA -0.711 61.506 62.300 -0.139 0.000 0.857 91 V CB 1.610 33.361 31.823 -0.120 0.000 0.985 91 V HN 0.714 nan 8.190 nan 0.000 0.443 92 V N 4.064 123.876 119.914 -0.170 0.000 2.370 92 V HA 0.390 4.510 4.120 -0.000 0.000 0.279 92 V C -0.306 175.691 176.094 -0.162 0.000 1.029 92 V CA -0.322 61.883 62.300 -0.158 0.000 0.870 92 V CB 1.734 33.441 31.823 -0.194 0.000 0.984 92 V HN 0.860 nan 8.190 nan 0.000 0.451 93 D N 4.674 125.007 120.400 -0.112 0.000 2.414 93 D HA 0.322 4.962 4.640 -0.000 0.000 0.232 93 D C 0.053 176.315 176.300 -0.064 0.000 1.070 93 D CA -0.327 53.616 54.000 -0.095 0.000 0.839 93 D CB 1.520 42.274 40.800 -0.076 0.000 1.079 93 D HN 0.416 nan 8.370 nan 0.000 0.521 94 L N 4.106 125.284 121.223 -0.074 0.000 2.873 94 L HA 0.184 4.524 4.340 -0.000 0.000 0.236 94 L C 0.114 177.021 176.870 0.061 0.000 1.375 94 L CA -0.495 54.340 54.840 -0.008 0.000 1.239 94 L CB 0.114 42.114 42.059 -0.100 0.000 1.603 94 L HN 0.119 nan 8.230 nan 0.000 0.430 95 V N 1.436 121.373 119.914 0.038 0.000 2.509 95 V HA 0.081 4.201 4.120 -0.000 0.000 0.297 95 V C 1.459 177.596 176.094 0.072 0.000 1.014 95 V CA 1.158 63.483 62.300 0.042 0.000 1.127 95 V CB 0.289 32.128 31.823 0.027 0.000 0.925 95 V HN 0.914 nan 8.190 nan 0.000 0.480 96 G N 3.992 112.839 108.800 0.078 0.000 2.179 96 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 96 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 96 G C 0.061 175.017 174.900 0.093 0.000 0.977 96 G CA 0.196 45.338 45.100 0.070 0.000 0.641 96 G HN 0.887 nan 8.290 nan 0.000 0.533 97 Y N 0.966 121.283 120.300 0.030 0.000 2.717 97 Y HA 0.304 4.854 4.550 -0.000 0.000 0.330 97 Y C 1.689 177.621 175.900 0.053 0.000 1.217 97 Y CA 2.026 60.159 58.100 0.055 0.000 1.506 97 Y CB 0.591 39.101 38.460 0.082 0.000 1.268 97 Y HN 1.290 nan 8.280 nan 0.000 0.561 98 G N 2.697 111.336 108.800 -0.270 0.000 2.234 98 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.235 98 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.235 98 G C 1.110 175.960 174.900 -0.084 0.000 0.997 98 G CA 0.281 45.317 45.100 -0.107 0.000 0.623 98 G HN 1.269 nan 8.290 nan 0.000 0.514 99 A N -0.109 122.670 122.820 -0.069 0.000 1.930 99 A HA 0.520 4.840 4.320 -0.000 0.000 0.217 99 A C 1.594 179.141 177.584 -0.062 0.000 1.175 99 A CA 2.605 54.616 52.037 -0.044 0.000 0.627 99 A CB -0.299 18.687 19.000 -0.024 0.000 0.815 99 A HN 2.280 nan 8.150 nan 0.000 0.443 100 S N -2.916 112.724 115.700 -0.099 0.000 2.588 100 S HA 0.414 4.884 4.470 -0.000 0.000 0.269 100 S C -0.464 174.064 174.600 -0.120 0.000 1.157 100 S CA -0.212 57.935 58.200 -0.087 0.000 0.824 100 S CB 0.780 63.942 63.200 -0.064 0.000 1.126 100 S HN 0.033 nan 8.310 nan 0.000 0.464 101 D N 0.588 120.935 120.400 -0.089 0.000 2.144 101 D HA -0.040 4.600 4.640 -0.000 0.000 0.199 101 D C 1.694 177.946 176.300 -0.080 0.000 0.984 101 D CA 1.078 55.026 54.000 -0.087 0.000 0.834 101 D CB -0.257 40.511 40.800 -0.053 0.000 0.955 101 D HN 0.444 nan 8.370 nan 0.000 0.465 102 I N 1.063 121.596 120.570 -0.062 0.000 2.252 102 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 102 I C 2.162 178.253 176.117 -0.043 0.000 1.102 102 I CA 1.180 62.455 61.300 -0.042 0.000 1.385 102 I CB -0.167 37.813 38.000 -0.033 0.000 1.064 102 I HN -0.182 nan 8.210 nan 0.000 0.414 103 R N 0.287 120.746 120.500 -0.067 0.000 2.083 103 R HA -0.192 4.148 4.340 -0.000 0.000 0.237 103 R C 2.052 178.298 176.300 -0.089 0.000 1.137 103 R CA 1.823 57.886 56.100 -0.062 0.000 0.951 103 R CB -0.424 29.827 30.300 -0.081 0.000 0.851 103 R HN 0.420 nan 8.270 nan 0.000 0.434 104 N N 0.577 119.131 118.700 -0.244 0.000 2.120 104 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 104 N C 1.486 177.014 175.510 0.029 0.000 1.024 104 N CA 1.379 54.227 53.050 -0.337 0.000 0.852 104 N CB -0.201 38.025 38.487 -0.434 0.000 1.003 104 N HN 0.328 nan 8.380 nan 0.000 0.424 105 E N 0.060 120.263 120.200 0.005 0.000 2.051 105 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 105 E C 1.943 178.593 176.600 0.084 0.000 0.991 105 E CA 0.991 57.421 56.400 0.049 0.000 0.799 105 E CB -0.010 29.699 29.700 0.016 0.000 0.748 105 E HN 0.061 nan 8.360 nan 0.000 0.449 106 V N 0.615 120.572 119.914 0.070 0.000 2.307 106 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 106 V C 2.332 178.502 176.094 0.127 0.000 1.045 106 V CA 1.957 64.306 62.300 0.082 0.000 1.024 106 V CB -1.085 30.774 31.823 0.059 0.000 0.651 106 V HN 0.441 nan 8.190 nan 0.000 0.449 107 G N -0.447 108.466 108.800 0.188 0.000 2.476 107 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 107 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 107 G C 1.466 176.527 174.900 0.270 0.000 1.164 107 G CA 1.137 46.396 45.100 0.265 0.000 0.768 107 G HN 0.562 nan 8.290 nan 0.000 0.560 108 E N 0.172 120.591 120.200 0.366 0.000 2.118 108 E HA -0.092 4.258 4.350 -0.000 0.000 0.195 108 E C 2.555 179.297 176.600 0.236 0.000 0.992 108 E CA 1.081 57.693 56.400 0.353 0.000 0.804 108 E CB -0.037 29.841 29.700 0.296 0.000 0.741 108 E HN 0.405 nan 8.360 nan 0.000 0.458 109 K N 0.257 120.759 120.400 0.170 0.000 2.097 109 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 109 K C 2.108 178.791 176.600 0.139 0.000 1.050 109 K CA 0.833 57.207 56.287 0.144 0.000 0.938 109 K CB -0.039 32.521 32.500 0.099 0.000 0.718 109 K HN 0.108 nan 8.250 nan 0.000 0.442 110 L N 0.490 121.767 121.223 0.090 0.000 2.017 110 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 110 L C 2.290 179.140 176.870 -0.034 0.000 1.073 110 L CA 0.975 55.833 54.840 0.029 0.000 0.745 110 L CB -0.616 41.441 42.059 -0.002 0.000 0.894 110 L HN -0.018 nan 8.230 nan 0.000 0.432 111 V N -0.735 119.135 119.914 -0.074 0.000 2.515 111 V HA -0.285 3.835 4.120 -0.000 0.000 0.250 111 V C 2.406 178.347 176.094 -0.256 0.000 1.058 111 V CA 1.876 64.009 62.300 -0.278 0.000 1.064 111 V CB -0.840 30.776 31.823 -0.344 0.000 0.675 111 V HN 0.498 nan 8.190 nan 0.000 0.461 112 H N 0.837 119.884 119.070 -0.038 0.000 2.456 112 H HA -0.075 4.481 4.556 -0.000 0.000 0.296 112 H C 1.948 177.352 175.328 0.126 0.000 1.079 112 H CA 1.484 57.627 56.048 0.159 0.000 1.322 112 H CB 0.007 29.883 29.762 0.190 0.000 1.388 112 H HN 0.304 nan 8.280 nan 0.000 0.538 113 N N 1.276 120.012 118.700 0.060 0.000 2.521 113 N HA -0.072 4.668 4.740 -0.000 0.000 0.188 113 N C -0.473 175.011 175.510 -0.044 0.000 1.146 113 N CA 0.636 53.688 53.050 0.005 0.000 0.893 113 N CB 0.075 38.589 38.487 0.045 0.000 0.975 113 N HN 0.489 nan 8.380 nan 0.000 0.451 114 Q N -0.913 118.839 119.800 -0.080 0.000 2.456 114 Q HA -0.126 4.214 4.340 -0.000 0.000 0.325 114 Q C -2.313 173.627 176.000 -0.100 0.000 1.453 114 Q CA 0.246 56.011 55.803 -0.063 0.000 0.848 114 Q CB -1.632 27.117 28.738 0.018 0.000 1.123 114 Q HN 0.376 nan 8.270 nan 0.000 0.374 115 P HA 0.084 nan 4.420 nan 0.000 0.274 115 P C 0.795 177.987 177.300 -0.179 0.000 1.256 115 P CA -0.104 62.898 63.100 -0.163 0.000 0.795 115 P CB 0.571 32.151 31.700 -0.200 0.000 1.038 116 T N -1.135 113.327 114.554 -0.154 0.000 2.777 116 T HA 0.031 4.381 4.350 -0.000 0.000 0.266 116 T C 0.847 175.431 174.700 -0.192 0.000 1.040 116 T CA 1.013 63.027 62.100 -0.143 0.000 1.141 116 T CB -0.181 68.617 68.868 -0.116 0.000 0.868 116 T HN 0.245 nan 8.240 nan 0.000 0.444 117 V N 1.267 121.042 119.914 -0.231 0.000 2.760 117 V HA 0.520 4.640 4.120 -0.000 0.000 0.309 117 V C -0.796 175.076 176.094 -0.369 0.000 1.077 117 V CA -1.010 61.119 62.300 -0.284 0.000 0.910 117 V CB 2.503 34.213 31.823 -0.189 0.000 1.008 117 V HN -0.003 nan 8.190 nan 0.000 0.424 118 V N 4.088 123.677 119.914 -0.542 0.000 2.555 118 V HA 0.660 4.780 4.120 -0.000 0.000 0.302 118 V C -0.227 175.668 176.094 -0.332 0.000 1.038 118 V CA -0.662 61.322 62.300 -0.527 0.000 0.887 118 V CB 1.876 33.206 31.823 -0.822 0.000 0.991 118 V HN 0.896 nan 8.190 nan 0.000 0.434 119 K N 2.386 122.646 120.400 -0.233 0.000 2.502 119 K HA 0.825 5.145 4.320 -0.000 0.000 0.257 119 K C -0.520 176.011 176.600 -0.115 0.000 0.938 119 K CA -0.181 56.025 56.287 -0.136 0.000 0.819 119 K CB 2.558 34.985 32.500 -0.123 0.000 1.333 119 K HN 0.959 nan 8.250 nan 0.000 0.434 120 G N 1.380 110.140 108.800 -0.067 0.000 2.488 120 G HA2 0.184 4.144 3.960 -0.000 0.000 0.301 120 G HA3 0.184 4.144 3.960 -0.000 0.000 0.301 120 G C -1.623 173.268 174.900 -0.015 0.000 1.339 120 G CA -0.870 44.203 45.100 -0.044 0.000 0.803 120 G HN 0.745 nan 8.290 nan 0.000 0.482 121 N N -1.075 117.626 118.700 0.001 0.000 2.405 121 N HA 0.416 5.156 4.740 -0.000 0.000 0.269 121 N C 1.203 176.728 175.510 0.025 0.000 1.249 121 N CA -0.747 52.311 53.050 0.012 0.000 0.974 121 N CB 0.747 39.241 38.487 0.012 0.000 1.204 121 N HN 0.304 nan 8.380 nan 0.000 0.565 122 L N -0.410 120.830 121.223 0.028 0.000 2.042 122 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 122 L C 2.418 179.308 176.870 0.034 0.000 1.076 122 L CA 1.701 56.560 54.840 0.032 0.000 0.749 122 L CB -1.003 41.075 42.059 0.032 0.000 0.893 122 L HN 0.817 nan 8.230 nan 0.000 0.432 123 S N -1.296 114.425 115.700 0.035 0.000 2.355 123 S HA -0.101 4.369 4.470 -0.000 0.000 0.222 123 S C 0.983 175.627 174.600 0.073 0.000 1.031 123 S CA 0.503 58.726 58.200 0.038 0.000 0.993 123 S CB -0.180 63.041 63.200 0.035 0.000 0.859 123 S HN 0.487 nan 8.310 nan 0.000 0.453 127 T N 1.857 116.482 114.554 0.118 0.000 2.746 127 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 127 T C 1.310 176.158 174.700 0.247 0.000 1.039 127 T CA 1.767 63.979 62.100 0.187 0.000 1.142 127 T CB -0.309 68.725 68.868 0.277 0.000 0.866 127 T HN 0.109 nan 8.240 nan 0.000 0.444 128 F N 1.515 121.466 119.950 0.002 0.000 2.126 128 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 128 F C 2.032 177.801 175.800 -0.051 0.000 1.096 128 F CA 0.648 58.516 58.000 -0.219 0.000 1.255 128 F CB -0.508 38.198 39.000 -0.490 0.000 0.997 128 F HN 0.134 nan 8.300 nan 0.000 0.479 129 C N 1.862 121.158 119.300 -0.007 0.000 2.546 129 C HA 0.027 4.487 4.460 -0.000 0.000 0.275 129 C C 0.673 175.618 174.990 -0.075 0.000 1.393 129 C CA 0.148 59.119 59.018 -0.078 0.000 1.703 129 C CB -1.957 25.777 27.740 -0.011 0.000 1.710 129 C HN 0.570 nan 8.230 nan 0.000 0.581 130 Q N -0.755 119.015 119.800 -0.050 0.000 2.487 130 Q HA -0.187 4.153 4.340 -0.000 0.000 0.279 130 Q C -0.439 175.555 176.000 -0.012 0.000 1.228 130 Q CA 0.874 56.662 55.803 -0.025 0.000 0.873 130 Q CB -1.847 26.863 28.738 -0.047 0.000 1.260 130 Q HN 0.661 nan 8.270 nan 0.000 0.471 131 L N -0.528 120.692 121.223 -0.004 0.000 2.352 131 L HA 0.545 4.885 4.340 -0.000 0.000 0.269 131 L C 0.993 177.841 176.870 -0.037 0.000 1.034 131 L CA -1.175 53.659 54.840 -0.011 0.000 0.806 131 L CB 1.190 43.243 42.059 -0.009 0.000 1.244 131 L HN -0.155 nan 8.230 nan 0.000 0.447 132 V N 0.490 120.367 119.914 -0.061 0.000 2.924 132 V HA 0.082 4.202 4.120 -0.000 0.000 0.305 132 V C 0.442 176.299 176.094 -0.396 0.000 1.073 132 V CA -0.066 62.141 62.300 -0.156 0.000 1.098 132 V CB 1.418 33.213 31.823 -0.048 0.000 1.000 132 V HN 0.760 nan 8.190 nan 0.000 0.484 133 S N 2.067 117.534 115.700 -0.387 0.000 2.542 133 S HA 0.474 4.944 4.470 -0.000 0.000 0.245 133 S C -0.426 174.001 174.600 -0.288 0.000 1.325 133 S CA -0.717 57.284 58.200 -0.331 0.000 1.176 133 S CB -0.291 62.844 63.200 -0.109 0.000 1.045 133 S HN 0.850 nan 8.310 nan 0.000 0.481 143 L N -0.170 121.097 121.223 0.074 0.000 2.081 143 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 143 L C 1.261 178.197 176.870 0.109 0.000 1.080 143 L CA 1.644 56.529 54.840 0.076 0.000 0.754 143 L CB -0.384 41.714 42.059 0.065 0.000 0.893 143 L HN 0.435 nan 8.230 nan 0.000 0.433 144 D N -1.183 119.301 120.400 0.140 0.000 2.348 144 D HA -0.118 4.522 4.640 -0.000 0.000 0.216 144 D C 2.086 178.430 176.300 0.073 0.000 0.970 144 D CA 0.502 54.575 54.000 0.120 0.000 0.889 144 D CB 0.122 40.972 40.800 0.083 0.000 0.912 144 D HN 0.245 nan 8.370 nan 0.000 0.524 145 Q N -0.070 119.766 119.800 0.060 0.000 2.360 145 Q HA 0.068 4.408 4.340 -0.000 0.000 0.202 145 Q C 1.012 177.037 176.000 0.043 0.000 0.915 145 Q CA -0.184 55.648 55.803 0.047 0.000 0.943 145 Q CB -0.007 28.755 28.738 0.041 0.000 1.064 145 Q HN 0.491 nan 8.270 nan 0.000 0.511 146 S N 0.191 115.918 115.700 0.045 0.000 2.584 146 S HA 0.104 4.574 4.470 -0.000 0.000 0.270 146 S C 0.984 175.605 174.600 0.034 0.000 1.346 146 S CA -0.546 57.676 58.200 0.036 0.000 1.018 146 S CB 0.748 63.968 63.200 0.033 0.000 0.899 146 S HN 0.231 nan 8.310 nan 0.000 0.542 147 E N 0.782 120.999 120.200 0.028 0.000 2.209 147 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 147 E C 1.796 178.412 176.600 0.027 0.000 0.993 147 E CA 1.138 57.554 56.400 0.027 0.000 0.819 147 E CB -0.255 29.459 29.700 0.022 0.000 0.745 147 E HN 0.877 nan 8.360 nan 0.000 0.477 148 E N 0.101 120.317 120.200 0.027 0.000 2.028 148 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 148 E C 1.969 178.590 176.600 0.036 0.000 0.988 148 E CA 0.897 57.314 56.400 0.027 0.000 0.799 148 E CB 0.025 29.739 29.700 0.024 0.000 0.755 148 E HN 0.167 nan 8.360 nan 0.000 0.447 149 A N 1.227 124.074 122.820 0.046 0.000 1.933 149 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 149 A C 2.037 179.648 177.584 0.045 0.000 1.175 149 A CA 1.040 53.112 52.037 0.058 0.000 0.628 149 A CB -0.445 18.603 19.000 0.079 0.000 0.814 149 A HN 0.246 nan 8.150 nan 0.000 0.444 150 I N 0.023 120.617 120.570 0.040 0.000 2.163 150 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 150 I C 2.565 178.700 176.117 0.030 0.000 1.085 150 I CA 1.619 62.941 61.300 0.035 0.000 1.347 150 I CB -1.732 36.289 38.000 0.036 0.000 1.044 150 I HN 0.390 nan 8.210 nan 0.000 0.408 151 E N 0.066 120.282 120.200 0.027 0.000 2.106 151 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 151 E C 2.121 178.733 176.600 0.019 0.000 0.984 151 E CA 1.138 57.552 56.400 0.022 0.000 0.806 151 E CB -0.194 29.518 29.700 0.020 0.000 0.750 151 E HN 0.610 nan 8.360 nan 0.000 0.458 152 E N -0.458 119.756 120.200 0.023 0.000 2.051 152 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 152 E C 2.257 178.865 176.600 0.013 0.000 0.991 152 E CA 1.462 57.875 56.400 0.021 0.000 0.799 152 E CB -0.221 29.499 29.700 0.033 0.000 0.748 152 E HN 0.318 nan 8.360 nan 0.000 0.449 153 L N 0.952 122.186 121.223 0.018 0.000 2.093 153 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 153 L C 2.112 178.983 176.870 0.002 0.000 1.085 153 L CA 1.329 56.176 54.840 0.012 0.000 0.755 153 L CB -0.268 41.804 42.059 0.022 0.000 0.904 153 L HN 0.211 nan 8.230 nan 0.000 0.435 154 I N -0.813 119.763 120.570 0.010 0.000 2.226 154 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 154 I C 2.578 178.691 176.117 -0.007 0.000 1.100 154 I CA 1.609 62.913 61.300 0.007 0.000 1.374 154 I CB -0.230 37.779 38.000 0.016 0.000 1.057 154 I HN 0.454 nan 8.210 nan 0.000 0.413 155 Q N 0.558 120.355 119.800 -0.006 0.000 2.083 155 Q HA -0.179 4.161 4.340 -0.000 0.000 0.198 155 Q C 2.348 178.330 176.000 -0.029 0.000 0.969 155 Q CA 1.593 57.388 55.803 -0.013 0.000 0.838 155 Q CB -0.070 28.664 28.738 -0.006 0.000 0.900 155 Q HN 0.546 nan 8.270 nan 0.000 0.436 156 A N 0.650 123.452 122.820 -0.031 0.000 1.908 156 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 156 A C 1.991 179.520 177.584 -0.091 0.000 1.181 156 A CA 1.264 53.272 52.037 -0.048 0.000 0.627 156 A CB -0.741 18.239 19.000 -0.034 0.000 0.818 156 A HN 0.438 nan 8.150 nan 0.000 0.445 157 L N -1.288 119.872 121.223 -0.104 0.000 2.141 157 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 157 L C 2.796 179.557 176.870 -0.182 0.000 1.094 157 L CA 0.736 55.449 54.840 -0.213 0.000 0.763 157 L CB -0.417 41.556 42.059 -0.144 0.000 0.908 157 L HN 0.270 nan 8.230 nan 0.000 0.437 158 R N 0.125 120.576 120.500 -0.081 0.000 2.115 158 R HA -0.125 4.215 4.340 -0.000 0.000 0.230 158 R C 2.151 178.421 176.300 -0.049 0.000 1.111 158 R CA 1.102 57.176 56.100 -0.043 0.000 0.976 158 R CB -0.362 29.927 30.300 -0.018 0.000 0.870 158 R HN 0.506 nan 8.270 nan 0.000 0.445 159 Q N -0.058 119.704 119.800 -0.064 0.000 2.167 159 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 159 Q C 2.055 178.010 176.000 -0.075 0.000 0.970 159 Q CA 1.025 56.791 55.803 -0.062 0.000 0.855 159 Q CB 0.139 28.843 28.738 -0.058 0.000 0.911 159 Q HN 0.238 nan 8.270 nan 0.000 0.438 160 Q N -0.511 119.220 119.800 -0.115 0.000 2.083 160 Q HA -0.096 4.244 4.340 -0.000 0.000 0.198 160 Q C 2.271 178.302 176.000 0.052 0.000 0.969 160 Q CA 1.835 57.595 55.803 -0.072 0.000 0.838 160 Q CB -0.405 28.148 28.738 -0.309 0.000 0.900 160 Q HN 0.554 nan 8.270 nan 0.000 0.436 161 T N -1.335 113.231 114.554 0.020 0.000 2.962 161 T HA -0.133 4.217 4.350 -0.000 0.000 0.270 161 T C 1.738 176.495 174.700 0.096 0.000 1.088 161 T CA 0.984 63.203 62.100 0.197 0.000 1.127 161 T CB -0.059 68.919 68.868 0.184 0.000 0.883 161 T HN 0.243 nan 8.240 nan 0.000 0.493 162 Q N 1.065 120.871 119.800 0.008 0.000 2.084 162 Q HA -0.036 4.304 4.340 -0.000 0.000 0.202 162 Q C 2.405 178.344 176.000 -0.101 0.000 0.978 162 Q CA 1.332 57.115 55.803 -0.034 0.000 0.844 162 Q CB -0.158 28.552 28.738 -0.046 0.000 0.898 162 Q HN 0.596 nan 8.270 nan 0.000 0.426 163 K N -0.293 119.976 120.400 -0.218 0.000 2.228 163 K HA -0.026 4.294 4.320 -0.000 0.000 0.202 163 K C 0.010 176.237 176.600 -0.621 0.000 1.051 163 K CA 0.614 56.594 56.287 -0.513 0.000 0.960 163 K CB 0.324 32.276 32.500 -0.913 0.000 0.743 163 K HN 0.077 nan 8.250 nan 0.000 0.458 164 F N 1.056 121.083 119.950 0.129 0.000 2.523 164 F HA 0.249 4.776 4.527 -0.000 0.000 0.322 164 F C -2.002 173.877 175.800 0.132 0.000 1.361 164 F CA -2.534 55.555 58.000 0.148 0.000 1.151 164 F CB 1.168 40.334 39.000 0.275 0.000 1.391 164 F HN -0.122 nan 8.300 nan 0.000 0.566 165 P HA -0.112 nan 4.420 nan 0.000 0.234 165 P C 0.479 177.837 177.300 0.097 0.000 1.167 165 P CA 1.061 64.229 63.100 0.114 0.000 0.763 165 P CB 0.402 32.132 31.700 0.050 0.000 0.835 166 Q N -0.627 119.232 119.800 0.098 0.000 2.188 166 Q HA 0.203 4.543 4.340 -0.000 0.000 0.212 166 Q C -0.051 175.959 176.000 0.017 0.000 0.846 166 Q CA 0.360 56.190 55.803 0.045 0.000 0.989 166 Q CB 0.461 29.213 28.738 0.023 0.000 1.114 166 Q HN 0.119 nan 8.270 nan 0.000 0.488 167 T N 0.464 115.045 114.554 0.046 0.000 2.824 167 T HA 0.480 4.830 4.350 -0.000 0.000 0.282 167 T C -0.221 174.431 174.700 -0.081 0.000 0.993 167 T CA -0.405 61.635 62.100 -0.100 0.000 0.967 167 T CB 2.472 71.217 68.868 -0.205 0.000 0.960 167 T HN -0.185 nan 8.240 nan 0.000 0.441 168 V N 3.756 123.566 119.914 -0.175 0.000 2.481 168 V HA 0.515 4.635 4.120 -0.000 0.000 0.286 168 V C -0.713 175.226 176.094 -0.257 0.000 1.042 168 V CA -0.684 61.567 62.300 -0.080 0.000 0.928 168 V CB 0.683 32.473 31.823 -0.054 0.000 0.986 168 V HN 0.748 nan 8.190 nan 0.000 0.462 169 F N 4.889 124.820 119.950 -0.032 0.000 2.443 169 F HA 0.667 5.194 4.527 -0.000 0.000 0.335 169 F C -0.187 175.588 175.800 -0.040 0.000 1.104 169 F CA -0.684 57.283 58.000 -0.055 0.000 1.013 169 F CB 1.729 40.710 39.000 -0.031 0.000 1.136 169 F HN 0.295 nan 8.300 nan 0.000 0.470 170 L N 3.655 124.925 121.223 0.079 0.000 2.376 170 L HA 0.853 5.193 4.340 -0.000 0.000 0.275 170 L C -1.006 175.890 176.870 0.042 0.000 0.987 170 L CA -0.694 54.175 54.840 0.047 0.000 0.828 170 L CB 1.209 43.267 42.059 -0.001 0.000 1.249 170 L HN 0.620 nan 8.230 nan 0.000 0.409 171 A N 3.028 125.879 122.820 0.053 0.000 2.287 171 A HA 0.736 5.056 4.320 -0.000 0.000 0.317 171 A C -0.052 177.553 177.584 0.036 0.000 1.220 171 A CA -0.078 51.982 52.037 0.039 0.000 0.835 171 A CB 0.621 19.649 19.000 0.047 0.000 1.180 171 A HN 0.798 nan 8.150 nan 0.000 0.500 172 T N 0.106 114.674 114.554 0.024 0.000 2.928 172 T HA 0.854 5.204 4.350 -0.000 0.000 0.284 172 T C 0.363 175.083 174.700 0.032 0.000 1.008 172 T CA 0.083 62.200 62.100 0.028 0.000 1.057 172 T CB 1.719 70.592 68.868 0.009 0.000 1.018 172 T HN 1.971 nan 8.240 nan 0.000 0.493 173 G N 0.867 109.692 108.800 0.042 0.000 2.335 173 G HA2 0.364 4.324 3.960 -0.000 0.000 0.291 173 G HA3 0.364 4.324 3.960 -0.000 0.000 0.291 173 G C 0.311 175.241 174.900 0.051 0.000 1.261 173 G CA -0.391 44.734 45.100 0.042 0.000 0.871 173 G HN 0.685 nan 8.290 nan 0.000 0.491 174 I N 0.549 121.146 120.570 0.045 0.000 2.113 174 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 174 I C 1.435 177.584 176.117 0.053 0.000 1.064 174 I CA 1.521 62.848 61.300 0.046 0.000 1.320 174 I CB -0.221 37.801 38.000 0.038 0.000 1.028 174 I HN 0.309 nan 8.210 nan 0.000 0.406 175 Q N 1.216 121.047 119.800 0.052 0.000 2.274 175 Q HA 0.292 4.632 4.340 -0.000 0.000 0.260 175 Q C -1.066 174.970 176.000 0.060 0.000 0.974 175 Q CA -0.694 55.144 55.803 0.057 0.000 0.876 175 Q CB 1.776 30.544 28.738 0.051 0.000 1.297 175 Q HN 0.148 nan 8.270 nan 0.000 0.446 176 D N 1.549 121.990 120.400 0.069 0.000 2.168 176 D HA 0.314 4.954 4.640 -0.000 0.000 0.246 176 D C -0.819 175.522 176.300 0.067 0.000 1.050 176 D CA -0.319 53.723 54.000 0.069 0.000 0.857 176 D CB 2.131 42.981 40.800 0.083 0.000 1.169 176 D HN 0.122 nan 8.370 nan 0.000 0.453 177 V N 2.953 122.904 119.914 0.061 0.000 2.357 177 V HA 0.303 4.423 4.120 -0.000 0.000 0.284 177 V C -0.334 175.802 176.094 0.070 0.000 1.018 177 V CA -0.745 61.592 62.300 0.061 0.000 0.841 177 V CB 1.198 33.053 31.823 0.053 0.000 0.991 177 V HN 0.290 nan 8.190 nan 0.000 0.437 178 L N 6.118 127.384 121.223 0.072 0.000 2.313 178 L HA 0.722 5.062 4.340 -0.000 0.000 0.283 178 L C -0.303 176.617 176.870 0.083 0.000 1.013 178 L CA -0.261 54.626 54.840 0.078 0.000 0.816 178 L CB 1.915 44.014 42.059 0.067 0.000 1.236 178 L HN 0.378 nan 8.230 nan 0.000 0.419 179 V N 1.700 121.685 119.914 0.117 0.000 2.638 179 V HA 0.818 4.938 4.120 -0.000 0.000 0.306 179 V C -0.186 176.006 176.094 0.163 0.000 1.052 179 V CA -0.383 61.987 62.300 0.117 0.000 0.885 179 V CB 1.964 33.844 31.823 0.094 0.000 0.999 179 V HN 0.901 nan 8.190 nan 0.000 0.424 180 S N 3.273 119.042 115.700 0.115 0.000 2.811 180 S HA 0.444 4.914 4.470 -0.000 0.000 0.311 180 S C 0.270 174.924 174.600 0.092 0.000 1.152 180 S CA -0.683 57.589 58.200 0.120 0.000 0.864 180 S CB 2.046 65.288 63.200 0.071 0.000 1.226 180 S HN 0.435 nan 8.310 nan 0.000 0.541 181 Q N 0.177 120.026 119.800 0.083 0.000 2.291 181 Q HA -0.006 4.334 4.340 -0.000 0.000 0.205 181 Q C 0.997 177.018 176.000 0.035 0.000 0.970 181 Q CA 1.538 57.374 55.803 0.056 0.000 0.876 181 Q CB -0.241 28.527 28.738 0.051 0.000 0.935 181 Q HN 0.754 nan 8.270 nan 0.000 0.455 182 E N -0.549 119.670 120.200 0.032 0.000 2.290 182 E HA 0.098 4.448 4.350 -0.000 0.000 0.197 182 E C 0.090 176.701 176.600 0.018 0.000 0.948 182 E CA 0.356 56.767 56.400 0.019 0.000 0.895 182 E CB 0.565 30.271 29.700 0.010 0.000 0.865 182 E HN 0.170 nan 8.360 nan 0.000 0.486 183 Q N -0.129 119.686 119.800 0.026 0.000 2.416 183 Q HA 0.561 4.901 4.340 -0.000 0.000 0.281 183 Q C -1.432 174.589 176.000 0.035 0.000 1.067 183 Q CA -0.777 55.041 55.803 0.025 0.000 0.809 183 Q CB 3.307 32.055 28.738 0.018 0.000 1.418 183 Q HN -0.123 nan 8.270 nan 0.000 0.411 184 V N 2.860 122.794 119.914 0.033 0.000 2.409 184 V HA 0.547 4.667 4.120 -0.000 0.000 0.291 184 V C -0.632 175.487 176.094 0.041 0.000 1.020 184 V CA -0.441 61.882 62.300 0.039 0.000 0.848 184 V CB 1.379 33.222 31.823 0.033 0.000 0.990 184 V HN 0.600 nan 8.190 nan 0.000 0.430 185 I N 4.869 125.468 120.570 0.049 0.000 2.498 185 I HA 0.551 4.721 4.170 -0.000 0.000 0.290 185 I C -0.746 175.409 176.117 0.063 0.000 1.032 185 I CA -0.889 60.445 61.300 0.056 0.000 1.073 185 I CB 2.384 40.420 38.000 0.061 0.000 1.251 185 I HN 0.270 nan 8.210 nan 0.000 0.426 186 V N 6.922 126.874 119.914 0.064 0.000 2.417 186 V HA 0.487 4.607 4.120 -0.000 0.000 0.291 186 V C -0.079 176.062 176.094 0.079 0.000 1.024 186 V CA -0.551 61.789 62.300 0.066 0.000 0.861 186 V CB 1.715 33.571 31.823 0.055 0.000 0.985 186 V HN 0.466 nan 8.190 nan 0.000 0.436 187 L N 4.445 125.721 121.223 0.089 0.000 2.334 187 L HA 0.605 4.945 4.340 -0.000 0.000 0.273 187 L C -0.120 176.804 176.870 0.090 0.000 1.013 187 L CA -0.450 54.453 54.840 0.104 0.000 0.816 187 L CB 1.969 44.107 42.059 0.132 0.000 1.278 187 L HN 0.643 nan 8.230 nan 0.000 0.431 188 Q N 1.703 121.556 119.800 0.088 0.000 2.366 188 Q HA 0.304 4.644 4.340 -0.000 0.000 0.356 188 Q C -1.003 175.042 176.000 0.073 0.000 0.866 188 Q CA -0.178 55.668 55.803 0.073 0.000 1.109 188 Q CB 0.952 29.724 28.738 0.058 0.000 1.361 188 Q HN 0.615 nan 8.270 nan 0.000 0.404 189 N N -0.294 118.461 118.700 0.092 0.000 2.563 189 N HA 0.816 5.556 4.740 -0.000 0.000 0.288 189 N C -0.012 175.554 175.510 0.094 0.000 1.246 189 N CA 0.123 53.227 53.050 0.090 0.000 0.946 189 N CB 1.351 39.904 38.487 0.110 0.000 1.213 189 N HN 0.256 nan 8.380 nan 0.000 0.578 190 G N -1.321 107.532 108.800 0.087 0.000 2.631 190 G HA2 0.061 4.021 3.960 -0.000 0.000 0.504 190 G HA3 0.061 4.021 3.960 -0.000 0.000 0.504 190 G C -1.180 173.768 174.900 0.079 0.000 1.306 190 G CA -0.430 44.729 45.100 0.098 0.000 0.897 190 G HN 1.084 nan 8.290 nan 0.000 0.520 191 V N -3.770 116.198 119.914 0.090 0.000 3.078 191 V HA 0.858 4.978 4.120 -0.000 0.000 0.311 191 V C -1.877 174.229 176.094 0.020 0.000 1.138 191 V CA -1.086 61.235 62.300 0.036 0.000 1.007 191 V CB 1.824 33.650 31.823 0.004 0.000 1.045 191 V HN 0.611 nan 8.190 nan 0.000 0.432 192 P HA 0.009 nan 4.420 nan 0.000 0.222 192 P C 1.044 178.315 177.300 -0.048 0.000 1.147 192 P CA 1.062 64.147 63.100 -0.024 0.000 0.790 192 P CB 0.240 31.919 31.700 -0.036 0.000 0.780 193 E N -0.525 119.577 120.200 -0.164 0.000 2.333 193 E HA -0.081 4.269 4.350 -0.000 0.000 0.198 193 E C 1.644 178.313 176.600 0.114 0.000 1.007 193 E CA 0.553 56.801 56.400 -0.254 0.000 0.845 193 E CB -0.969 28.129 29.700 -1.004 0.000 0.766 193 E HN 0.271 nan 8.360 nan 0.000 0.507 194 L N 0.649 122.000 121.223 0.214 0.000 2.549 194 L HA -0.131 4.209 4.340 -0.000 0.000 0.229 194 L C 0.885 177.774 176.870 0.030 0.000 1.158 194 L CA 0.601 55.591 54.840 0.251 0.000 0.842 194 L CB -0.014 42.200 42.059 0.259 0.000 0.952 194 L HN 0.038 nan 8.230 nan 0.000 0.452 195 D N -1.550 118.870 120.400 0.033 0.000 2.339 195 D HA 0.051 4.691 4.640 -0.000 0.000 0.217 195 D C 1.070 177.379 176.300 0.015 0.000 1.050 195 D CA 0.354 54.351 54.000 -0.005 0.000 0.856 195 D CB 0.256 41.061 40.800 0.009 0.000 0.922 195 D HN 0.302 nan 8.370 nan 0.000 0.518 196 C N 0.649 120.000 119.300 0.085 0.000 2.994 196 C HA 0.346 4.806 4.460 -0.000 0.000 0.284 196 C C 0.116 175.288 174.990 0.303 0.000 1.404 196 C CA -0.794 58.315 59.018 0.151 0.000 1.775 196 C CB -1.669 26.149 27.740 0.130 0.000 2.458 196 C HN 0.170 nan 8.230 nan 0.000 0.593 197 F N -1.931 118.109 119.950 0.149 0.000 2.613 197 F HA 0.681 5.208 4.527 -0.000 0.000 0.314 197 F C -0.357 175.504 175.800 0.101 0.000 1.075 197 F CA -0.901 57.171 58.000 0.121 0.000 0.945 197 F CB 0.460 39.538 39.000 0.131 0.000 1.310 197 F HN -0.241 nan 8.300 nan 0.000 0.467 198 T N 0.890 115.584 114.554 0.234 0.000 2.884 198 T HA 0.460 4.810 4.350 -0.000 0.000 0.298 198 T C 0.868 175.607 174.700 0.065 0.000 0.998 198 T CA 1.065 63.218 62.100 0.088 0.000 1.124 198 T CB 0.232 69.161 68.868 0.102 0.000 0.931 198 T HN 1.886 nan 8.240 nan 0.000 0.531 199 G N 2.802 111.577 108.800 -0.041 0.000 2.159 199 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.227 199 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.227 199 G C 1.050 175.876 174.900 -0.123 0.000 0.986 199 G CA 1.039 46.117 45.100 -0.037 0.000 0.651 199 G HN 1.105 nan 8.290 nan 0.000 0.523 200 T N -1.743 112.656 114.554 -0.259 0.000 2.746 200 T HA 0.105 4.455 4.350 -0.000 0.000 0.267 200 T C 2.536 176.994 174.700 -0.402 0.000 1.039 200 T CA 2.050 63.963 62.100 -0.312 0.000 1.142 200 T CB -0.755 67.969 68.868 -0.241 0.000 0.866 200 T HN 1.247 nan 8.240 nan 0.000 0.444 201 G N 1.740 110.395 108.800 -0.241 0.000 2.446 201 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 201 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 201 G C 1.363 176.149 174.900 -0.191 0.000 1.168 201 G CA 1.050 46.033 45.100 -0.196 0.000 0.771 201 G HN 0.467 nan 8.290 nan 0.000 0.551 202 D N 0.591 120.903 120.400 -0.147 0.000 2.104 202 D HA -0.096 4.544 4.640 -0.000 0.000 0.194 202 D C 2.639 178.855 176.300 -0.141 0.000 0.994 202 D CA 0.597 54.530 54.000 -0.111 0.000 0.830 202 D CB -0.348 40.413 40.800 -0.066 0.000 0.959 202 D HN 0.278 nan 8.370 nan 0.000 0.452 203 L N 0.391 121.499 121.223 -0.191 0.000 2.093 203 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 203 L C 2.525 179.227 176.870 -0.281 0.000 1.085 203 L CA 0.528 55.251 54.840 -0.195 0.000 0.755 203 L CB -0.492 41.486 42.059 -0.134 0.000 0.904 203 L HN -0.035 nan 8.230 nan 0.000 0.435 204 V N 0.670 120.314 119.914 -0.450 0.000 2.343 204 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 204 V C 2.715 178.718 176.094 -0.151 0.000 1.051 204 V CA 2.000 64.103 62.300 -0.328 0.000 1.036 204 V CB -1.206 30.410 31.823 -0.346 0.000 0.654 204 V HN 0.564 nan 8.190 nan 0.000 0.451 205 G N -0.314 108.400 108.800 -0.144 0.000 2.476 205 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 205 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 205 G C 1.759 176.609 174.900 -0.083 0.000 1.164 205 G CA 1.167 46.206 45.100 -0.103 0.000 0.768 205 G HN 0.624 nan 8.290 nan 0.000 0.560 206 A N 0.368 123.141 122.820 -0.079 0.000 1.930 206 A HA 0.162 4.482 4.320 -0.000 0.000 0.217 206 A C 2.453 180.019 177.584 -0.029 0.000 1.175 206 A CA 1.173 53.176 52.037 -0.056 0.000 0.627 206 A CB -0.349 18.620 19.000 -0.052 0.000 0.815 206 A HN 0.355 nan 8.150 nan 0.000 0.443 207 L N -0.450 120.769 121.223 -0.007 0.000 2.046 207 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 207 L C 2.542 179.433 176.870 0.034 0.000 1.077 207 L CA 1.135 56.009 54.840 0.057 0.000 0.747 207 L CB -0.694 41.444 42.059 0.133 0.000 0.896 207 L HN 0.248 nan 8.230 nan 0.000 0.432 208 V N 0.326 120.240 119.914 0.001 0.000 2.287 208 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 208 V C 2.815 178.882 176.094 -0.045 0.000 1.053 208 V CA 1.965 64.253 62.300 -0.020 0.000 1.027 208 V CB -1.036 30.762 31.823 -0.041 0.000 0.646 208 V HN 0.505 nan 8.190 nan 0.000 0.447 209 A N -0.030 122.756 122.820 -0.057 0.000 1.908 209 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 209 A C 2.439 179.986 177.584 -0.062 0.000 1.181 209 A CA 2.328 54.322 52.037 -0.071 0.000 0.627 209 A CB -0.855 18.097 19.000 -0.081 0.000 0.818 209 A HN 0.611 nan 8.150 nan 0.000 0.445 210 A N -0.225 122.571 122.820 -0.039 0.000 1.883 210 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 210 A C 2.181 179.736 177.584 -0.048 0.000 1.186 210 A CA 1.585 53.605 52.037 -0.029 0.000 0.624 210 A CB -0.604 18.403 19.000 0.013 0.000 0.822 210 A HN 0.488 nan 8.150 nan 0.000 0.444 211 L N -0.766 120.424 121.223 -0.055 0.000 2.056 211 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 211 L C 2.577 179.390 176.870 -0.095 0.000 1.078 211 L CA 0.843 55.622 54.840 -0.100 0.000 0.749 211 L CB -0.637 41.354 42.059 -0.114 0.000 0.901 211 L HN 0.369 nan 8.230 nan 0.000 0.433 212 L N -0.095 121.079 121.223 -0.082 0.000 2.042 212 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 212 L C 2.632 179.453 176.870 -0.081 0.000 1.076 212 L CA 1.576 56.366 54.840 -0.083 0.000 0.749 212 L CB -1.075 40.933 42.059 -0.085 0.000 0.893 212 L HN 0.340 nan 8.230 nan 0.000 0.432 213 G N -0.690 108.063 108.800 -0.079 0.000 2.422 213 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 213 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 213 G C 1.435 176.294 174.900 -0.067 0.000 1.140 213 G CA 0.691 45.746 45.100 -0.075 0.000 0.775 213 G HN 0.345 nan 8.290 nan 0.000 0.545 214 E N 0.080 120.237 120.200 -0.071 0.000 2.268 214 E HA 0.172 4.522 4.350 -0.000 0.000 0.195 214 E C 1.804 178.361 176.600 -0.073 0.000 0.995 214 E CA 1.274 57.632 56.400 -0.071 0.000 0.836 214 E CB -0.309 29.337 29.700 -0.090 0.000 0.763 214 E HN 0.442 nan 8.360 nan 0.000 0.491 215 G N -0.543 108.210 108.800 -0.078 0.000 2.227 215 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.168 215 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.168 215 G C -0.218 174.632 174.900 -0.082 0.000 1.006 215 G CA -0.132 44.924 45.100 -0.073 0.000 0.684 215 G HN 0.182 nan 8.290 nan 0.000 0.489 216 N N 1.096 119.737 118.700 -0.098 0.000 2.482 216 N HA 0.511 5.251 4.740 -0.000 0.000 0.260 216 N C 0.808 176.262 175.510 -0.092 0.000 1.236 216 N CA 0.561 53.547 53.050 -0.106 0.000 0.938 216 N CB 1.218 39.626 38.487 -0.131 0.000 1.128 216 N HN 0.603 nan 8.380 nan 0.000 0.448 217 A N 2.536 125.301 122.820 -0.091 0.000 2.466 217 A HA 0.254 4.574 4.320 -0.000 0.000 0.238 217 A C -1.823 175.714 177.584 -0.078 0.000 1.074 217 A CA -0.691 51.299 52.037 -0.079 0.000 0.774 217 A CB -0.466 18.488 19.000 -0.076 0.000 1.015 217 A HN 0.433 nan 8.150 nan 0.000 0.498 221 A N 1.721 124.492 122.820 -0.082 0.000 1.883 221 A HA 0.247 4.567 4.320 -0.000 0.000 0.217 221 A C 2.442 180.020 177.584 -0.011 0.000 1.186 221 A CA 2.587 54.588 52.037 -0.060 0.000 0.624 221 A CB -1.124 17.836 19.000 -0.068 0.000 0.822 221 A HN 0.700 nan 8.150 nan 0.000 0.444 222 A N -0.781 122.032 122.820 -0.012 0.000 1.873 222 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 222 A C 2.259 179.888 177.584 0.075 0.000 1.186 222 A CA 1.802 53.850 52.037 0.018 0.000 0.616 222 A CB -0.975 18.026 19.000 0.000 0.000 0.823 222 A HN 0.404 nan 8.150 nan 0.000 0.442 223 V N -0.169 119.786 119.914 0.069 0.000 2.295 223 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 223 V C 3.052 179.312 176.094 0.276 0.000 1.049 223 V CA 1.974 64.358 62.300 0.139 0.000 1.024 223 V CB -1.184 30.677 31.823 0.064 0.000 0.648 223 V HN 0.612 nan 8.190 nan 0.000 0.447 224 A N -0.175 122.781 122.820 0.226 0.000 1.898 224 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 224 A C 2.407 180.269 177.584 0.463 0.000 1.181 224 A CA 1.939 54.238 52.037 0.437 0.000 0.620 224 A CB -0.724 18.408 19.000 0.220 0.000 0.819 224 A HN 0.548 nan 8.150 nan 0.000 0.442 225 A N -0.503 122.490 122.820 0.288 0.000 1.877 225 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 225 A C 2.234 180.017 177.584 0.331 0.000 1.186 225 A CA 1.815 54.028 52.037 0.294 0.000 0.620 225 A CB -1.011 18.082 19.000 0.156 0.000 0.822 225 A HN 0.380 nan 8.150 nan 0.000 0.443 226 V N -0.042 120.028 119.914 0.261 0.000 2.343 226 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 226 V C 2.822 179.115 176.094 0.332 0.000 1.051 226 V CA 2.366 64.816 62.300 0.250 0.000 1.036 226 V CB -0.812 31.119 31.823 0.181 0.000 0.654 226 V HN 0.563 nan 8.190 nan 0.000 0.451 227 S N -1.284 114.653 115.700 0.395 0.000 2.356 227 S HA -0.221 4.249 4.470 -0.000 0.000 0.223 227 S C 1.875 176.748 174.600 0.454 0.000 1.032 227 S CA 1.851 60.310 58.200 0.432 0.000 1.005 227 S CB -0.463 63.069 63.200 0.554 0.000 0.867 227 S HN 0.658 nan 8.310 nan 0.000 0.449 228 Y N 1.192 121.717 120.300 0.376 0.000 2.145 228 Y HA -0.159 4.391 4.550 -0.000 0.000 0.286 228 Y C 2.045 177.982 175.900 0.061 0.000 1.145 228 Y CA 1.375 59.525 58.100 0.084 0.000 1.148 228 Y CB -0.603 37.852 38.460 -0.008 0.000 0.981 228 Y HN 0.269 nan 8.280 nan 0.000 0.507 229 F N 0.932 120.926 119.950 0.074 0.000 2.134 229 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 229 F C 2.009 177.788 175.800 -0.036 0.000 1.097 229 F CA 1.970 59.958 58.000 -0.020 0.000 1.264 229 F CB -0.490 38.555 39.000 0.076 0.000 1.001 229 F HN 0.029 nan 8.300 nan 0.000 0.479 230 N N 0.543 119.358 118.700 0.191 0.000 2.244 230 N HA -0.100 4.639 4.740 -0.000 0.000 0.183 230 N C 1.933 177.439 175.510 -0.007 0.000 1.016 230 N CA 1.197 54.315 53.050 0.113 0.000 0.866 230 N CB -0.434 38.167 38.487 0.190 0.000 0.980 230 N HN 0.357 nan 8.380 nan 0.000 0.430 231 L N -0.298 120.907 121.223 -0.030 0.000 2.217 231 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 231 L C 2.102 178.845 176.870 -0.211 0.000 1.107 231 L CA 0.413 55.218 54.840 -0.059 0.000 0.783 231 L CB -0.207 41.885 42.059 0.055 0.000 0.919 231 L HN 0.181 nan 8.230 nan 0.000 0.442 232 C N 0.018 119.071 119.300 -0.413 0.000 2.429 232 C HA -0.110 4.350 4.460 -0.000 0.000 0.277 232 C C 2.896 177.674 174.990 -0.353 0.000 1.262 232 C CA 0.962 59.691 59.018 -0.482 0.000 1.733 232 C CB -1.477 25.863 27.740 -0.668 0.000 2.010 232 C HN 0.699 nan 8.230 nan 0.000 0.483 233 G N 0.166 108.777 108.800 -0.315 0.000 2.421 233 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 233 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 233 G C 1.490 176.449 174.900 0.098 0.000 1.171 233 G CA 0.805 45.860 45.100 -0.076 0.000 0.775 233 G HN 0.675 nan 8.290 nan 0.000 0.543 234 E N 0.039 120.255 120.200 0.027 0.000 2.058 234 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 234 E C 2.559 179.173 176.600 0.024 0.000 0.997 234 E CA 0.827 57.251 56.400 0.040 0.000 0.801 234 E CB -0.073 29.637 29.700 0.018 0.000 0.746 234 E HN 0.173 nan 8.360 nan 0.000 0.450 235 K N 0.378 120.758 120.400 -0.033 0.000 2.057 235 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 235 K C 2.117 178.699 176.600 -0.029 0.000 1.049 235 K CA 1.092 57.350 56.287 -0.048 0.000 0.931 235 K CB -0.259 32.180 32.500 -0.102 0.000 0.714 235 K HN 0.078 nan 8.250 nan 0.000 0.440 236 A N 1.434 124.227 122.820 -0.045 0.000 1.902 236 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 236 A C 2.137 179.825 177.584 0.172 0.000 1.181 236 A CA 1.895 53.910 52.037 -0.036 0.000 0.623 236 A CB -0.394 18.441 19.000 -0.274 0.000 0.818 236 A HN 0.324 nan 8.150 nan 0.000 0.443 237 K N -0.335 120.243 120.400 0.297 0.000 2.063 237 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 237 K C 2.155 178.808 176.600 0.089 0.000 1.048 237 K CA 2.043 58.461 56.287 0.219 0.000 0.928 237 K CB -0.372 32.184 32.500 0.092 0.000 0.713 237 K HN 0.645 nan 8.250 nan 0.000 0.442 238 T N -1.114 113.472 114.554 0.052 0.000 2.881 238 T HA -0.083 4.267 4.350 -0.000 0.000 0.270 238 T C 1.341 176.050 174.700 0.015 0.000 1.068 238 T CA 1.076 63.188 62.100 0.020 0.000 1.131 238 T CB -0.076 68.794 68.868 0.004 0.000 0.871 238 T HN 0.241 nan 8.240 nan 0.000 0.479 239 K N 0.819 121.230 120.400 0.018 0.000 2.374 239 K HA 0.321 4.641 4.320 -0.000 0.000 0.196 239 K C 0.015 176.623 176.600 0.013 0.000 1.023 239 K CA -0.122 56.166 56.287 0.001 0.000 1.103 239 K CB 0.640 33.125 32.500 -0.025 0.000 0.848 239 K HN 0.219 nan 8.250 nan 0.000 0.528 240 S N 0.966 116.694 115.700 0.047 0.000 2.536 240 S HA 0.315 4.785 4.470 -0.000 0.000 0.298 240 S C -0.905 173.725 174.600 0.051 0.000 1.083 240 S CA -0.726 57.514 58.200 0.067 0.000 0.995 240 S CB 2.440 65.745 63.200 0.176 0.000 1.058 240 S HN 0.073 nan 8.310 nan 0.000 0.488 241 Q N 1.101 120.923 119.800 0.037 0.000 2.275 241 Q HA 0.542 4.882 4.340 -0.000 0.000 0.266 241 Q C -0.400 175.617 176.000 0.027 0.000 1.002 241 Q CA -0.244 55.573 55.803 0.023 0.000 0.761 241 Q CB 1.714 30.457 28.738 0.009 0.000 1.255 241 Q HN 1.135 nan 8.270 nan 0.000 0.446 242 G N 1.618 110.435 108.800 0.029 0.000 2.675 242 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.686 242 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.686 242 G C 0.041 174.988 174.900 0.079 0.000 1.215 242 G CA -0.607 44.515 45.100 0.037 0.000 0.777 242 G HN 0.620 nan 8.290 nan 0.000 0.638 243 L N 1.264 122.537 121.223 0.083 0.000 2.095 243 L HA 0.090 4.430 4.340 -0.000 0.000 0.204 243 L C 3.343 180.292 176.870 0.132 0.000 1.080 243 L CA 1.976 56.910 54.840 0.156 0.000 0.759 243 L CB -0.728 41.415 42.059 0.140 0.000 0.914 243 L HN 0.960 nan 8.230 nan 0.000 0.439 244 A N 0.138 122.990 122.820 0.054 0.000 1.892 244 A HA -0.333 3.987 4.320 -0.000 0.000 0.218 244 A C 1.954 179.506 177.584 -0.054 0.000 1.188 244 A CA 2.452 54.480 52.037 -0.014 0.000 0.631 244 A CB -0.751 18.244 19.000 -0.009 0.000 0.822 244 A HN 0.448 nan 8.150 nan 0.000 0.447 245 D N -1.680 118.716 120.400 -0.007 0.000 2.117 245 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 245 D C 1.647 177.930 176.300 -0.028 0.000 0.982 245 D CA 1.431 55.418 54.000 -0.022 0.000 0.828 245 D CB -0.266 40.538 40.800 0.007 0.000 0.967 245 D HN 0.379 nan 8.370 nan 0.000 0.464 246 F N 1.365 121.258 119.950 -0.095 0.000 2.126 246 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 246 F C 2.312 177.994 175.800 -0.197 0.000 1.096 246 F CA 1.705 59.648 58.000 -0.095 0.000 1.255 246 F CB -0.352 38.634 39.000 -0.023 0.000 0.997 246 F HN -0.153 nan 8.300 nan 0.000 0.479 247 R N 0.217 120.417 120.500 -0.499 0.000 2.070 247 R HA -0.263 4.077 4.340 -0.000 0.000 0.233 247 R C 2.383 178.258 176.300 -0.708 0.000 1.137 247 R CA 1.981 57.437 56.100 -1.073 0.000 0.945 247 R CB -0.698 28.941 30.300 -1.102 0.000 0.845 247 R HN 0.416 nan 8.270 nan 0.000 0.430 248 Q N 0.783 120.335 119.800 -0.414 0.000 2.077 248 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 248 Q C 1.587 177.417 176.000 -0.283 0.000 0.989 248 Q CA 2.276 57.914 55.803 -0.275 0.000 0.853 248 Q CB -0.235 28.397 28.738 -0.177 0.000 0.907 248 Q HN 0.410 nan 8.270 nan 0.000 0.418 249 N N -0.973 117.543 118.700 -0.307 0.000 2.216 249 N HA -0.080 4.660 4.740 -0.000 0.000 0.183 249 N C 1.586 176.882 175.510 -0.357 0.000 1.017 249 N CA 1.621 54.503 53.050 -0.280 0.000 0.861 249 N CB -0.376 37.989 38.487 -0.205 0.000 0.986 249 N HN 0.319 nan 8.380 nan 0.000 0.428 250 T N 2.113 116.348 114.554 -0.531 0.000 2.684 250 T HA -0.024 4.326 4.350 -0.000 0.000 0.267 250 T C 2.130 176.621 174.700 -0.348 0.000 1.036 250 T CA 0.739 62.520 62.100 -0.531 0.000 1.148 250 T CB -0.217 68.249 68.868 -0.670 0.000 0.863 250 T HN 0.150 nan 8.240 nan 0.000 0.436 251 L N 0.941 122.013 121.223 -0.253 0.000 2.093 251 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 251 L C 2.608 179.407 176.870 -0.119 0.000 1.085 251 L CA 1.020 55.831 54.840 -0.048 0.000 0.755 251 L CB -0.569 41.526 42.059 0.059 0.000 0.904 251 L HN 0.239 nan 8.230 nan 0.000 0.435 252 N N -0.351 118.209 118.700 -0.234 0.000 2.120 252 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 252 N C 1.926 177.279 175.510 -0.262 0.000 1.024 252 N CA 1.100 53.974 53.050 -0.293 0.000 0.852 252 N CB 0.041 38.381 38.487 -0.245 0.000 1.003 252 N HN 0.159 nan 8.380 nan 0.000 0.424 253 Q N 0.257 119.904 119.800 -0.256 0.000 2.226 253 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 253 Q C 2.123 177.960 176.000 -0.273 0.000 0.975 253 Q CA 0.586 56.226 55.803 -0.271 0.000 0.866 253 Q CB -0.361 28.185 28.738 -0.320 0.000 0.915 253 Q HN 0.512 nan 8.270 nan 0.000 0.440 254 L N 0.693 121.795 121.223 -0.203 0.000 2.081 254 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 254 L C 2.330 179.196 176.870 -0.007 0.000 1.080 254 L CA 1.757 56.572 54.840 -0.042 0.000 0.754 254 L CB -0.574 41.574 42.059 0.147 0.000 0.893 254 L HN 0.254 nan 8.230 nan 0.000 0.433 255 S N -1.697 113.945 115.700 -0.096 0.000 2.528 255 S HA 0.094 4.564 4.470 -0.000 0.000 0.219 255 S C 1.614 176.148 174.600 -0.110 0.000 0.985 255 S CA 0.036 58.176 58.200 -0.100 0.000 0.914 255 S CB 0.088 63.186 63.200 -0.170 0.000 0.776 255 S HN 0.366 nan 8.310 nan 0.000 0.526 256 L N -0.343 120.801 121.223 -0.131 0.000 2.433 256 L HA 0.423 4.763 4.340 -0.000 0.000 0.200 256 L C 1.093 177.902 176.870 -0.101 0.000 1.059 256 L CA -0.212 54.561 54.840 -0.112 0.000 0.835 256 L CB -0.375 41.610 42.059 -0.124 0.000 1.076 256 L HN 0.258 nan 8.230 nan 0.000 0.481 260 E N 2.196 122.478 120.200 0.136 0.000 2.220 260 E HA 0.055 4.405 4.350 -0.000 0.000 0.272 260 E C 1.063 177.792 176.600 0.214 0.000 1.099 260 E CA 0.404 56.889 56.400 0.141 0.000 0.907 260 E CB 1.013 30.784 29.700 0.120 0.000 1.022 260 E HN 0.307 nan 8.360 nan 0.000 0.428 261 K N 3.401 123.880 120.400 0.132 0.000 2.228 261 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 261 K C 0.820 177.422 176.600 0.002 0.000 1.045 261 K CA 2.190 58.556 56.287 0.131 0.000 0.931 261 K CB -0.562 31.984 32.500 0.077 0.000 0.727 261 K HN 0.600 nan 8.250 nan 0.000 0.458 262 D N -1.870 118.417 120.400 -0.189 0.000 2.720 262 D HA -0.043 4.597 4.640 -0.000 0.000 0.285 262 D C 1.297 177.159 176.300 -0.730 0.000 1.359 262 D CA -0.159 53.431 54.000 -0.684 0.000 0.818 262 D CB -1.114 39.437 40.800 -0.414 0.000 1.108 262 D HN 0.716 nan 8.370 nan 0.000 0.474 263 W N 1.396 122.472 121.300 -0.373 0.000 2.325 263 W HA -0.214 4.446 4.660 -0.000 0.000 0.299 263 W C 0.935 177.316 176.519 -0.229 0.000 1.215 263 W CA 0.712 57.945 57.345 -0.187 0.000 1.244 263 W CB -1.505 27.978 29.460 0.038 0.000 1.140 263 W HN 0.027 nan 8.180 nan 0.000 0.523 264 F N 1.207 120.540 119.950 -1.029 0.000 2.699 264 F HA 0.186 4.713 4.527 -0.000 0.000 0.298 264 F C 1.807 177.214 175.800 -0.655 0.000 1.154 264 F CA 0.979 58.230 58.000 -1.249 0.000 1.457 264 F CB -1.323 36.562 39.000 -1.858 0.000 1.106 264 F HN -0.133 nan 8.300 nan 0.000 0.585 265 E N 1.222 121.002 120.200 -0.699 0.000 2.265 265 E HA -0.044 4.306 4.350 -0.000 0.000 0.196 265 E C 2.147 178.635 176.600 -0.188 0.000 0.996 265 E CA 0.979 57.174 56.400 -0.342 0.000 0.832 265 E CB -0.300 29.199 29.700 -0.336 0.000 0.756 265 E HN 0.490 nan 8.360 nan 0.000 0.491 266 A N -0.074 122.650 122.820 -0.159 0.000 2.238 266 A HA 0.080 4.400 4.320 -0.000 0.000 0.208 266 A C 0.640 178.201 177.584 -0.039 0.000 1.177 266 A CA -0.108 51.891 52.037 -0.064 0.000 0.804 266 A CB 0.163 19.154 19.000 -0.014 0.000 0.823 266 A HN 0.022 nan 8.150 nan 0.000 0.482 267 V N 1.267 121.125 119.914 -0.095 0.000 2.540 267 V HA 0.050 4.170 4.120 -0.000 0.000 0.297 267 V C 0.233 176.329 176.094 0.003 0.000 1.024 267 V CA 0.521 62.787 62.300 -0.056 0.000 1.105 267 V CB 0.479 32.175 31.823 -0.212 0.000 0.938 267 V HN 0.395 nan 8.190 nan 0.000 0.482 268 K N 3.604 124.030 120.400 0.044 0.000 2.307 268 K HA 0.740 5.060 4.320 -0.000 0.000 0.263 268 K C 0.098 176.743 176.600 0.076 0.000 0.973 268 K CA -0.247 56.071 56.287 0.051 0.000 0.846 268 K CB 1.939 34.466 32.500 0.045 0.000 1.100 268 K HN 0.979 nan 8.250 nan 0.000 0.438 269 G N 0.389 109.236 108.800 0.078 0.000 2.404 269 G HA2 0.169 4.129 3.960 -0.000 0.000 0.298 269 G HA3 0.169 4.129 3.960 -0.000 0.000 0.298 269 G C -1.651 173.296 174.900 0.078 0.000 1.577 269 G CA -0.782 44.368 45.100 0.084 0.000 0.847 269 G HN 0.264 nan 8.290 nan 0.000 0.598 270 R N -0.910 119.630 120.500 0.066 0.000 2.474 270 R HA 0.732 5.072 4.340 -0.000 0.000 0.295 270 R C 0.106 176.440 176.300 0.056 0.000 0.980 270 R CA -0.638 55.495 56.100 0.056 0.000 0.934 270 R CB 1.654 31.980 30.300 0.044 0.000 1.101 270 R HN 0.739 nan 8.270 nan 0.000 0.469 271 V N 5.414 125.358 119.914 0.049 0.000 2.408 271 V HA 0.315 4.435 4.120 -0.000 0.000 0.267 271 V C 0.659 176.773 176.094 0.033 0.000 1.047 271 V CA -0.097 62.227 62.300 0.040 0.000 0.937 271 V CB 0.503 32.346 31.823 0.033 0.000 0.999 271 V HN 0.582 nan 8.190 nan 0.000 0.472 272 L N 0.000 121.242 121.223 0.032 0.000 2.949 272 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 272 L CA 0.000 54.856 54.840 0.027 0.000 0.813 272 L CB 0.000 42.075 42.059 0.027 0.000 0.961 272 L HN 0.000 nan 8.230 nan 0.000 0.502