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 3mj4_1_C DATA FIRST_RESID 28 DATA SEQUENCE KGFDYLIVGA GFAGSVLAER LASSGQRVLI VDRRPHIGGN AYDCYDDAGV DATA SEQUENCE LIHPYGPHIF HTNSKDVFEY LSRFTEWRPY QHRVLASVDG QLLPIPINLD DATA SEQUENCE TVNRLYGLNL TSFQVEEFFA SVAEKVEQVR TSEDVVVSKV GRDLYNKFFR DATA SEQUENCE GYTRKQWGLD PSELDASVTA RVPTRTNRDN RYFADTYQAM PLHGYTRMFQ DATA SEQUENCE NMLSSPNIKV MLNTDYREIA DFIPFQHMIY TGPVDAFFDF CYGKLPYRSL DATA SEQUENCE EFRHETHDTE QLLPTGTVNY PNDYAYTRVS EFKHITGQRH HQTSVVYEYP DATA SEQUENCE RAEGDPYYPV PRPENAELYK KYEALADAAQ DVTFVGRLAT YRYYNMDQVV DATA SEQUENCE AQALATFRRL QGQ 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 28 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.546 176.600 -0.090 0.000 0.988 28 K CA 0.000 56.248 56.287 -0.064 0.000 0.838 28 K CB 0.000 32.466 32.500 -0.056 0.000 1.064 29 G N 0.467 109.164 108.800 -0.172 0.000 2.523 29 G HA2 -0.274 3.686 3.960 0.001 0.000 0.271 29 G HA3 -0.274 3.686 3.960 0.001 0.000 0.271 29 G C -0.789 173.823 174.900 -0.479 0.000 1.146 29 G CA 0.172 45.089 45.100 -0.306 0.000 0.961 29 G HN 0.307 nan 8.290 nan 0.000 0.549 30 F N 1.203 121.216 119.950 0.106 0.000 2.532 30 F HA 0.519 5.047 4.527 0.001 0.000 0.321 30 F C 1.015 176.880 175.800 0.109 0.000 1.089 30 F CA -0.516 57.553 58.000 0.114 0.000 0.926 30 F CB 2.042 41.121 39.000 0.132 0.000 1.168 30 F HN 0.341 nan 8.300 nan 0.000 0.459 31 D N 0.856 121.420 120.400 0.272 0.000 2.084 31 D HA -0.157 4.484 4.640 0.001 0.000 0.194 31 D C -0.261 176.022 176.300 -0.030 0.000 0.990 31 D CA 2.008 56.056 54.000 0.081 0.000 0.826 31 D CB -0.095 40.767 40.800 0.103 0.000 0.971 31 D HN 0.328 nan 8.370 nan 0.000 0.453 32 Y N -0.493 119.942 120.300 0.226 0.000 2.393 32 Y HA 0.394 4.945 4.550 0.001 0.000 0.341 32 Y C -0.289 175.634 175.900 0.038 0.000 0.988 32 Y CA -1.246 56.953 58.100 0.166 0.000 1.078 32 Y CB 1.871 40.391 38.460 0.100 0.000 1.203 32 Y HN -0.217 nan 8.280 nan 0.000 0.453 33 L N 5.530 126.786 121.223 0.054 0.000 2.264 33 L HA 0.506 4.847 4.340 0.001 0.000 0.287 33 L C -1.029 175.723 176.870 -0.197 0.000 1.039 33 L CA -0.480 54.199 54.840 -0.268 0.000 0.829 33 L CB -0.114 41.429 42.059 -0.860 0.000 1.211 33 L HN 0.455 nan 8.230 nan 0.000 0.427 34 I N 6.147 126.617 120.570 -0.166 0.000 2.312 34 I HA 0.225 4.396 4.170 0.001 0.000 0.291 34 I C -0.303 175.688 176.117 -0.211 0.000 1.031 34 I CA -0.718 60.486 61.300 -0.160 0.000 1.293 34 I CB 1.309 39.226 38.000 -0.138 0.000 1.403 34 I HN 0.223 nan 8.210 nan 0.000 0.484 35 V N 5.740 125.509 119.914 -0.241 0.000 2.348 35 V HA 0.683 4.804 4.120 0.001 0.000 0.270 35 V C 0.612 176.526 176.094 -0.300 0.000 1.037 35 V CA -0.251 61.889 62.300 -0.267 0.000 0.872 35 V CB 0.389 32.003 31.823 -0.348 0.000 1.002 35 V HN 1.108 nan 8.190 nan 0.000 0.464 36 G N 4.116 112.773 108.800 -0.239 0.000 3.069 36 G HA2 0.305 4.266 3.960 0.001 0.000 0.686 36 G HA3 0.305 4.266 3.960 0.001 0.000 0.686 36 G C -0.122 174.649 174.900 -0.215 0.000 1.161 36 G CA -0.226 44.729 45.100 -0.242 0.000 0.804 36 G HN 1.408 nan 8.290 nan 0.000 0.608 37 A N 1.460 124.140 122.820 -0.232 0.000 2.574 37 A HA 0.773 5.093 4.320 0.001 0.000 0.283 37 A C 1.534 178.941 177.584 -0.296 0.000 1.270 37 A CA 1.237 53.138 52.037 -0.227 0.000 0.945 37 A CB -0.157 18.705 19.000 -0.230 0.000 1.127 37 A HN 2.186 nan 8.150 nan 0.000 0.522 38 G N -0.918 107.720 108.800 -0.269 0.000 2.468 38 G HA2 0.324 4.285 3.960 0.001 0.000 0.264 38 G HA3 0.324 4.285 3.960 0.001 0.000 0.264 38 G C 0.701 175.585 174.900 -0.026 0.000 1.460 38 G CA -0.243 44.685 45.100 -0.287 0.000 1.060 38 G HN 0.178 nan 8.290 nan 0.000 0.543 39 F N 0.839 120.884 119.950 0.159 0.000 2.026 39 F HA -0.118 4.410 4.527 0.001 0.000 0.296 39 F C 3.190 179.033 175.800 0.073 0.000 1.133 39 F CA 2.025 60.150 58.000 0.208 0.000 1.188 39 F CB -0.488 38.601 39.000 0.148 0.000 0.968 39 F HN 0.356 nan 8.300 nan 0.000 0.476 40 A N 0.315 123.267 122.820 0.219 0.000 1.909 40 A HA -0.289 4.032 4.320 0.001 0.000 0.221 40 A C 2.427 180.022 177.584 0.019 0.000 1.223 40 A CA 2.479 54.563 52.037 0.079 0.000 0.658 40 A CB -1.742 17.273 19.000 0.025 0.000 0.831 40 A HN 0.492 nan 8.150 nan 0.000 0.462 41 G N -2.225 106.563 108.800 -0.020 0.000 2.453 41 G HA2 0.079 4.040 3.960 0.001 0.000 0.215 41 G HA3 0.079 4.040 3.960 0.001 0.000 0.215 41 G C 1.747 176.610 174.900 -0.063 0.000 1.147 41 G CA 1.113 46.170 45.100 -0.072 0.000 0.802 41 G HN 0.503 nan 8.290 nan 0.000 0.535 42 S N 0.118 115.812 115.700 -0.011 0.000 2.371 42 S HA -0.067 4.404 4.470 0.001 0.000 0.224 42 S C 2.524 177.088 174.600 -0.061 0.000 1.029 42 S CA 0.958 59.147 58.200 -0.019 0.000 0.978 42 S CB -0.122 63.146 63.200 0.113 0.000 0.833 42 S HN 0.168 nan 8.310 nan 0.000 0.466 43 V N 2.158 122.075 119.914 0.005 0.000 2.261 43 V HA -0.161 3.960 4.120 0.001 0.000 0.246 43 V C 2.228 178.253 176.094 -0.116 0.000 1.047 43 V CA 1.542 63.849 62.300 0.012 0.000 1.015 43 V CB -0.725 31.150 31.823 0.086 0.000 0.642 43 V HN 0.376 nan 8.190 nan 0.000 0.446 44 L N 0.022 121.174 121.223 -0.120 0.000 2.013 44 L HA -0.246 4.095 4.340 0.001 0.000 0.212 44 L C 2.739 179.473 176.870 -0.227 0.000 1.073 44 L CA 1.851 56.581 54.840 -0.184 0.000 0.753 44 L CB -0.789 41.192 42.059 -0.130 0.000 0.890 44 L HN 0.376 nan 8.230 nan 0.000 0.432 45 A N -0.609 122.109 122.820 -0.170 0.000 1.873 45 A HA -0.302 4.019 4.320 0.001 0.000 0.218 45 A C 2.320 179.801 177.584 -0.172 0.000 1.193 45 A CA 2.162 54.104 52.037 -0.159 0.000 0.629 45 A CB -0.667 18.254 19.000 -0.131 0.000 0.826 45 A HN 0.469 nan 8.150 nan 0.000 0.447 46 E N -0.230 119.859 120.200 -0.185 0.000 2.051 46 E HA -0.212 4.139 4.350 0.001 0.000 0.192 46 E C 2.290 178.769 176.600 -0.201 0.000 0.991 46 E CA 1.067 57.359 56.400 -0.179 0.000 0.799 46 E CB -0.270 29.296 29.700 -0.223 0.000 0.748 46 E HN 0.432 nan 8.360 nan 0.000 0.449 47 R N 0.230 120.512 120.500 -0.363 0.000 2.082 47 R HA -0.138 4.203 4.340 0.001 0.000 0.234 47 R C 2.499 178.410 176.300 -0.648 0.000 1.136 47 R CA 0.743 56.364 56.100 -0.798 0.000 0.935 47 R CB -1.190 28.092 30.300 -1.697 0.000 0.842 47 R HN 0.226 nan 8.270 nan 0.000 0.430 48 L N 0.764 121.718 121.223 -0.447 0.000 2.043 48 L HA -0.128 4.213 4.340 0.001 0.000 0.212 48 L C 2.409 179.259 176.870 -0.033 0.000 1.075 48 L CA 1.977 56.734 54.840 -0.139 0.000 0.752 48 L CB -1.272 40.624 42.059 -0.273 0.000 0.891 48 L HN 0.205 nan 8.230 nan 0.000 0.432 49 A N -1.420 121.360 122.820 -0.067 0.000 2.014 49 A HA -0.137 4.184 4.320 0.001 0.000 0.218 49 A C 2.488 180.080 177.584 0.013 0.000 1.163 49 A CA 1.489 53.523 52.037 -0.004 0.000 0.652 49 A CB -0.587 18.400 19.000 -0.022 0.000 0.808 49 A HN 0.536 nan 8.150 nan 0.000 0.449 50 S N 0.460 116.153 115.700 -0.012 0.000 2.406 50 S HA -0.097 4.374 4.470 0.001 0.000 0.228 50 S C 1.668 176.307 174.600 0.064 0.000 1.020 50 S CA 1.332 59.546 58.200 0.023 0.000 0.965 50 S CB -0.752 62.459 63.200 0.017 0.000 0.798 50 S HN 0.867 nan 8.310 nan 0.000 0.488 51 S N 0.221 115.979 115.700 0.096 0.000 2.859 51 S HA 0.496 4.966 4.470 0.001 0.000 0.245 51 S C 1.434 176.106 174.600 0.120 0.000 1.008 51 S CA 0.226 58.512 58.200 0.144 0.000 1.089 51 S CB -0.897 62.452 63.200 0.249 0.000 0.798 51 S HN 1.435 nan 8.310 nan 0.000 0.477 52 G N 0.500 109.357 108.800 0.094 0.000 2.212 52 G HA2 -0.283 3.678 3.960 0.001 0.000 0.266 52 G HA3 -0.283 3.678 3.960 0.001 0.000 0.266 52 G C 0.104 175.072 174.900 0.112 0.000 0.978 52 G CA 0.232 45.386 45.100 0.090 0.000 0.632 52 G HN 0.598 nan 8.290 nan 0.000 0.537 53 Q N 0.211 120.098 119.800 0.146 0.000 2.395 53 Q HA 0.296 4.637 4.340 0.001 0.000 0.271 53 Q C 0.707 176.818 176.000 0.186 0.000 1.026 53 Q CA 0.298 56.223 55.803 0.202 0.000 0.900 53 Q CB 0.518 29.436 28.738 0.301 0.000 1.266 53 Q HN 0.531 nan 8.270 nan 0.000 0.430 54 R N 0.776 121.410 120.500 0.223 0.000 2.229 54 R HA 0.439 4.780 4.340 0.001 0.000 0.328 54 R C -0.790 175.716 176.300 0.343 0.000 1.009 54 R CA -0.320 55.934 56.100 0.257 0.000 0.864 54 R CB 0.897 31.341 30.300 0.240 0.000 1.085 54 R HN 0.271 nan 8.270 nan 0.000 0.453 55 V N 5.038 125.096 119.914 0.240 0.000 2.604 55 V HA 0.365 4.486 4.120 0.001 0.000 0.305 55 V C -0.920 175.067 176.094 -0.179 0.000 1.043 55 V CA -0.925 61.426 62.300 0.084 0.000 0.888 55 V CB 1.931 33.767 31.823 0.023 0.000 0.995 55 V HN 0.481 nan 8.190 nan 0.000 0.429 56 L N 6.126 127.086 121.223 -0.438 0.000 2.353 56 L HA 0.627 4.968 4.340 0.001 0.000 0.270 56 L C -0.690 175.951 176.870 -0.381 0.000 1.003 56 L CA 0.062 54.484 54.840 -0.696 0.000 0.862 56 L CB 1.034 42.265 42.059 -1.379 0.000 1.221 56 L HN 0.681 nan 8.230 nan 0.000 0.430 57 I N 4.871 125.281 120.570 -0.267 0.000 2.385 57 I HA 0.575 4.746 4.170 0.001 0.000 0.294 57 I C -1.164 174.830 176.117 -0.205 0.000 0.988 57 I CA -0.515 60.658 61.300 -0.210 0.000 1.265 57 I CB 1.633 39.533 38.000 -0.166 0.000 1.388 57 I HN 0.470 nan 8.210 nan 0.000 0.480 58 V N 7.314 127.112 119.914 -0.194 0.000 2.823 58 V HA 0.592 4.713 4.120 0.001 0.000 0.312 58 V C -1.235 174.762 176.094 -0.162 0.000 1.072 58 V CA -0.317 61.883 62.300 -0.166 0.000 0.937 58 V CB 2.102 33.838 31.823 -0.146 0.000 1.013 58 V HN 0.806 nan 8.190 nan 0.000 0.430 59 D N 3.328 123.631 120.400 -0.162 0.000 2.857 59 D HA 0.322 4.963 4.640 0.001 0.000 0.227 59 D C 0.615 176.813 176.300 -0.170 0.000 1.192 59 D CA -0.529 53.359 54.000 -0.186 0.000 0.857 59 D CB 2.354 43.000 40.800 -0.256 0.000 1.645 59 D HN 0.688 nan 8.370 nan 0.000 0.482 60 R N 2.103 122.513 120.500 -0.151 0.000 2.235 60 R HA 0.083 4.423 4.340 0.001 0.000 0.213 60 R C 0.342 176.540 176.300 -0.170 0.000 1.059 60 R CA 0.239 56.264 56.100 -0.125 0.000 0.997 60 R CB 0.264 30.514 30.300 -0.083 0.000 0.884 60 R HN 0.165 nan 8.270 nan 0.000 0.462 61 R N 1.417 121.759 120.500 -0.264 0.000 2.577 61 R HA 0.175 4.516 4.340 0.001 0.000 0.269 61 R C -1.849 174.204 176.300 -0.411 0.000 1.084 61 R CA -1.866 54.005 56.100 -0.382 0.000 1.163 61 R CB 0.504 30.422 30.300 -0.637 0.000 1.100 61 R HN 0.041 nan 8.270 nan 0.000 0.547 62 P HA 0.064 nan 4.420 nan 0.000 0.261 62 P C -1.222 175.919 177.300 -0.266 0.000 1.352 62 P CA 0.404 63.348 63.100 -0.259 0.000 0.891 62 P CB 0.144 31.765 31.700 -0.131 0.000 1.383 63 H N -1.314 117.571 119.070 -0.308 0.000 2.990 63 H HA 0.587 5.143 4.556 0.001 0.000 0.343 63 H C 0.151 175.266 175.328 -0.356 0.000 1.270 63 H CA -1.372 54.447 56.048 -0.382 0.000 1.118 63 H CB 0.325 29.591 29.762 -0.826 0.000 1.861 63 H HN -0.184 nan 8.280 nan 0.000 0.544 64 I N -2.157 118.363 120.570 -0.083 0.000 3.223 64 I HA 0.695 4.865 4.170 0.001 0.000 0.317 64 I C 0.994 176.949 176.117 -0.270 0.000 1.050 64 I CA -0.356 60.828 61.300 -0.194 0.000 1.069 64 I CB 1.022 38.918 38.000 -0.173 0.000 1.406 64 I HN 1.088 nan 8.210 nan 0.000 0.596 65 G N 0.508 108.863 108.800 -0.742 0.000 2.194 65 G HA2 -0.017 3.944 3.960 0.001 0.000 0.236 65 G HA3 -0.017 3.944 3.960 0.001 0.000 0.236 65 G C 0.902 175.284 174.900 -0.863 0.000 0.987 65 G CA 0.226 44.441 45.100 -1.475 0.000 0.635 65 G HN 2.110 nan 8.290 nan 0.000 0.520 66 G N 0.678 109.190 108.800 -0.480 0.000 2.596 66 G HA2 -0.349 3.612 3.960 0.001 0.000 0.295 66 G HA3 -0.349 3.612 3.960 0.001 0.000 0.295 66 G C 0.715 175.367 174.900 -0.414 0.000 1.240 66 G CA 0.943 45.811 45.100 -0.388 0.000 0.985 66 G HN 1.187 nan 8.290 nan 0.000 0.555 67 N N 1.316 119.788 118.700 -0.380 0.000 2.573 67 N HA 0.235 4.975 4.740 0.001 0.000 0.187 67 N C 2.012 177.240 175.510 -0.470 0.000 1.107 67 N CA 1.555 54.402 53.050 -0.338 0.000 0.918 67 N CB -0.237 38.247 38.487 -0.005 0.000 0.966 67 N HN 0.936 nan 8.380 nan 0.000 0.448 68 A N -0.872 121.601 122.820 -0.578 0.000 2.308 68 A HA 0.044 4.365 4.320 0.001 0.000 0.217 68 A C 0.219 177.520 177.584 -0.471 0.000 1.216 68 A CA -0.469 51.087 52.037 -0.801 0.000 0.864 68 A CB -0.505 18.045 19.000 -0.750 0.000 0.902 68 A HN 0.319 nan 8.150 nan 0.000 0.499 69 Y N 2.882 122.945 120.300 -0.396 0.000 2.805 69 Y HA 0.238 4.789 4.550 0.001 0.000 0.331 69 Y C -0.033 175.744 175.900 -0.206 0.000 1.241 69 Y CA -0.257 57.657 58.100 -0.310 0.000 1.546 69 Y CB 0.173 38.403 38.460 -0.382 0.000 1.248 69 Y HN 0.538 nan 8.280 nan 0.000 0.559 70 D N 4.714 124.624 120.400 -0.816 0.000 2.450 70 D HA 0.648 5.289 4.640 0.001 0.000 0.238 70 D C -0.854 174.857 176.300 -0.982 0.000 1.020 70 D CA -0.428 53.150 54.000 -0.704 0.000 1.010 70 D CB 1.295 41.959 40.800 -0.226 0.000 1.342 70 D HN 0.773 nan 8.370 nan 0.000 0.530 71 C N -2.759 116.133 119.300 -0.679 0.000 3.197 71 C HA 0.533 4.994 4.460 0.001 0.000 0.343 71 C C -1.613 173.084 174.990 -0.488 0.000 1.291 71 C CA -1.271 57.429 59.018 -0.529 0.000 1.191 71 C CB -0.470 27.028 27.740 -0.403 0.000 1.444 71 C HN 0.614 nan 8.230 nan 0.000 0.468 72 Y N 2.627 122.816 120.300 -0.186 0.000 2.335 72 Y HA 0.449 5.000 4.550 0.001 0.000 0.331 72 Y C 1.161 176.973 175.900 -0.146 0.000 1.094 72 Y CA 1.047 59.059 58.100 -0.147 0.000 1.253 72 Y CB 0.704 39.113 38.460 -0.085 0.000 1.203 72 Y HN 0.863 nan 8.280 nan 0.000 0.508 73 D N 0.150 120.515 120.400 -0.058 0.000 2.478 73 D HA 0.029 4.670 4.640 0.001 0.000 0.274 73 D C 0.298 176.589 176.300 -0.016 0.000 1.234 73 D CA -0.336 53.611 54.000 -0.088 0.000 1.069 73 D CB 0.386 41.083 40.800 -0.171 0.000 1.113 73 D HN 0.393 nan 8.370 nan 0.000 0.571 74 D N -1.090 119.293 120.400 -0.030 0.000 2.263 74 D HA -0.007 4.634 4.640 0.001 0.000 0.208 74 D C 1.293 177.607 176.300 0.023 0.000 0.971 74 D CA 1.422 55.422 54.000 -0.001 0.000 0.867 74 D CB -0.271 40.525 40.800 -0.008 0.000 0.929 74 D HN 0.504 nan 8.370 nan 0.000 0.492 75 A N -0.800 122.029 122.820 0.016 0.000 2.308 75 A HA 0.504 4.825 4.320 0.001 0.000 0.217 75 A C 1.683 179.368 177.584 0.169 0.000 1.216 75 A CA 0.679 52.752 52.037 0.061 0.000 0.864 75 A CB -0.010 18.981 19.000 -0.015 0.000 0.902 75 A HN 0.173 nan 8.150 nan 0.000 0.499 76 G N -1.087 107.798 108.800 0.142 0.000 2.143 76 G HA2 -0.203 3.758 3.960 0.001 0.000 0.249 76 G HA3 -0.203 3.758 3.960 0.001 0.000 0.249 76 G C 0.152 175.239 174.900 0.313 0.000 0.981 76 G CA 0.214 45.464 45.100 0.250 0.000 0.665 76 G HN 0.802 nan 8.290 nan 0.000 0.528 77 V N 1.292 121.213 119.914 0.012 0.000 2.498 77 V HA 0.552 4.672 4.120 0.001 0.000 0.279 77 V C 0.888 176.868 176.094 -0.188 0.000 1.048 77 V CA -0.728 61.497 62.300 -0.125 0.000 0.967 77 V CB 1.618 33.251 31.823 -0.316 0.000 0.988 77 V HN 0.439 nan 8.190 nan 0.000 0.473 78 L N 7.684 128.715 121.223 -0.320 0.000 2.418 78 L HA 0.470 4.810 4.340 0.001 0.000 0.274 78 L C -0.218 176.291 176.870 -0.601 0.000 1.135 78 L CA 0.768 55.198 54.840 -0.683 0.000 0.870 78 L CB -0.167 41.490 42.059 -0.670 0.000 1.154 78 L HN 0.671 nan 8.230 nan 0.000 0.462 79 I N 0.858 120.982 120.570 -0.743 0.000 3.264 79 I HA 0.536 4.707 4.170 0.001 0.000 0.315 79 I C -1.155 174.475 176.117 -0.812 0.000 1.154 79 I CA -0.864 59.675 61.300 -1.269 0.000 0.962 79 I CB 2.274 39.568 38.000 -1.177 0.000 1.265 79 I HN 0.577 nan 8.210 nan 0.000 0.463 80 H N 1.498 119.893 119.070 -1.124 0.000 2.725 80 H HA 0.313 4.870 4.556 0.001 0.000 0.283 80 H C -2.190 172.978 175.328 -0.267 0.000 1.110 80 H CA -1.948 53.881 56.048 -0.365 0.000 1.289 80 H CB 1.200 31.052 29.762 0.150 0.000 1.400 80 H HN 0.432 nan 8.280 nan 0.000 0.493 81 P HA -0.205 nan 4.420 nan 0.000 0.217 81 P C 0.055 176.951 177.300 -0.673 0.000 1.148 81 P CA 1.442 64.254 63.100 -0.481 0.000 0.828 81 P CB 0.077 31.381 31.700 -0.660 0.000 0.783 82 Y N -1.148 119.059 120.300 -0.155 0.000 2.625 82 Y HA 0.523 5.073 4.550 0.001 0.000 0.285 82 Y C 1.322 177.040 175.900 -0.304 0.000 1.168 82 Y CA -0.009 57.978 58.100 -0.188 0.000 1.250 82 Y CB -0.108 38.486 38.460 0.224 0.000 1.130 82 Y HN -0.077 nan 8.280 nan 0.000 0.526 83 G N 1.047 109.604 108.800 -0.404 0.000 2.629 83 G HA2 -0.130 3.831 3.960 0.001 0.000 0.686 83 G HA3 -0.130 3.831 3.960 0.001 0.000 0.686 83 G C -3.144 172.008 174.900 0.420 0.000 1.232 83 G CA -1.583 43.503 45.100 -0.024 0.000 0.803 83 G HN -0.078 nan 8.290 nan 0.000 0.638 84 P HA 0.201 nan 4.420 nan 0.000 0.267 84 P C -0.560 177.008 177.300 0.447 0.000 1.209 84 P CA 0.491 63.920 63.100 0.549 0.000 0.763 84 P CB 0.280 32.052 31.700 0.121 0.000 0.816 85 H N 2.779 122.229 119.070 0.634 0.000 2.581 85 H HA 0.426 4.983 4.556 0.001 0.000 0.308 85 H C -0.048 175.607 175.328 0.545 0.000 1.040 85 H CA -0.359 55.934 56.048 0.409 0.000 1.231 85 H CB 0.208 30.052 29.762 0.137 0.000 1.396 85 H HN 0.255 nan 8.280 nan 0.000 0.467 86 I N 4.101 124.968 120.570 0.495 0.000 2.307 86 I HA 0.081 4.252 4.170 0.001 0.000 0.289 86 I C -0.254 176.233 176.117 0.616 0.000 1.021 86 I CA -0.437 61.185 61.300 0.537 0.000 1.224 86 I CB 0.162 38.353 38.000 0.318 0.000 1.376 86 I HN 0.433 nan 8.210 nan 0.000 0.470 87 F N 7.755 128.039 119.950 0.556 0.000 2.495 87 F HA 0.345 4.873 4.527 0.001 0.000 0.365 87 F C 0.352 176.355 175.800 0.337 0.000 1.090 87 F CA 0.203 58.466 58.000 0.439 0.000 1.235 87 F CB 0.002 39.328 39.000 0.544 0.000 1.119 87 F HN 0.635 nan 8.300 nan 0.000 0.562 88 H N 1.378 119.891 119.070 -0.928 0.000 3.085 88 H HA 0.599 5.156 4.556 0.001 0.000 0.356 88 H C -1.301 173.507 175.328 -0.866 0.000 1.178 88 H CA -1.069 54.520 56.048 -0.766 0.000 1.214 88 H CB 1.772 31.126 29.762 -0.679 0.000 1.881 88 H HN 0.565 nan 8.280 nan 0.000 0.538 89 T N 1.280 115.514 114.554 -0.534 0.000 2.942 89 T HA 0.222 4.572 4.350 0.001 0.000 0.327 89 T C -0.318 174.353 174.700 -0.048 0.000 1.360 89 T CA -0.787 61.102 62.100 -0.352 0.000 1.055 89 T CB 1.287 69.980 68.868 -0.293 0.000 1.261 89 T HN 0.775 nan 8.240 nan 0.000 0.485 90 N N 1.297 119.986 118.700 -0.018 0.000 2.353 90 N HA 0.066 4.807 4.740 0.001 0.000 0.185 90 N C 0.412 176.017 175.510 0.159 0.000 1.098 90 N CA 0.132 53.218 53.050 0.061 0.000 0.872 90 N CB 0.591 39.084 38.487 0.011 0.000 0.970 90 N HN 0.475 nan 8.380 nan 0.000 0.467 91 S N 1.090 116.858 115.700 0.113 0.000 2.400 91 S HA 0.130 4.601 4.470 0.001 0.000 0.295 91 S C 1.260 175.889 174.600 0.047 0.000 1.113 91 S CA -0.522 57.732 58.200 0.089 0.000 1.064 91 S CB 0.965 64.194 63.200 0.048 0.000 0.990 91 S HN 0.119 nan 8.310 nan 0.000 0.502 92 K N 3.772 124.217 120.400 0.075 0.000 2.074 92 K HA -0.163 4.158 4.320 0.001 0.000 0.209 92 K C 0.885 177.466 176.600 -0.033 0.000 1.048 92 K CA 2.018 58.267 56.287 -0.063 0.000 0.926 92 K CB -0.085 32.470 32.500 0.091 0.000 0.713 92 K HN 0.665 nan 8.250 nan 0.000 0.444 93 D N 0.170 120.587 120.400 0.027 0.000 2.084 93 D HA -0.147 4.494 4.640 0.001 0.000 0.196 93 D C 2.062 178.415 176.300 0.089 0.000 0.985 93 D CA 1.208 55.236 54.000 0.047 0.000 0.826 93 D CB -0.409 40.414 40.800 0.038 0.000 0.978 93 D HN 0.029 nan 8.370 nan 0.000 0.456 94 V N 1.245 121.220 119.914 0.101 0.000 2.252 94 V HA -0.281 3.839 4.120 0.001 0.000 0.249 94 V C 2.277 178.518 176.094 0.245 0.000 1.056 94 V CA 1.737 64.148 62.300 0.186 0.000 1.022 94 V CB -0.697 31.233 31.823 0.178 0.000 0.641 94 V HN 0.127 nan 8.190 nan 0.000 0.445 95 F N 0.590 120.527 119.950 -0.022 0.000 2.095 95 F HA -0.234 4.294 4.527 0.001 0.000 0.298 95 F C 2.536 178.304 175.800 -0.054 0.000 1.104 95 F CA 2.276 60.202 58.000 -0.124 0.000 1.232 95 F CB -0.075 38.549 39.000 -0.627 0.000 0.987 95 F HN 0.168 nan 8.300 nan 0.000 0.475 96 E N -1.086 119.054 120.200 -0.100 0.000 2.110 96 E HA -0.275 4.076 4.350 0.001 0.000 0.193 96 E C 1.909 178.442 176.600 -0.111 0.000 0.988 96 E CA 1.369 57.687 56.400 -0.137 0.000 0.804 96 E CB -0.396 29.279 29.700 -0.042 0.000 0.745 96 E HN 0.635 nan 8.360 nan 0.000 0.458 97 Y N 0.742 120.975 120.300 -0.111 0.000 2.145 97 Y HA -0.212 4.339 4.550 0.001 0.000 0.286 97 Y C 1.871 177.666 175.900 -0.176 0.000 1.145 97 Y CA 1.079 59.112 58.100 -0.111 0.000 1.148 97 Y CB -0.242 38.219 38.460 0.002 0.000 0.981 97 Y HN 0.006 nan 8.280 nan 0.000 0.507 98 L N 0.021 121.137 121.223 -0.179 0.000 2.265 98 L HA -0.155 4.186 4.340 0.001 0.000 0.215 98 L C 2.356 179.031 176.870 -0.325 0.000 1.117 98 L CA 1.706 56.436 54.840 -0.182 0.000 0.782 98 L CB -1.121 41.006 42.059 0.112 0.000 0.914 98 L HN 0.204 nan 8.230 nan 0.000 0.441 99 S N -1.050 114.475 115.700 -0.293 0.000 2.507 99 S HA -0.074 4.397 4.470 0.001 0.000 0.235 99 S C 1.892 176.195 174.600 -0.496 0.000 0.988 99 S CA 0.439 58.466 58.200 -0.289 0.000 0.944 99 S CB -0.206 62.898 63.200 -0.160 0.000 0.762 99 S HN 0.449 nan 8.310 nan 0.000 0.526 100 R N 0.062 120.075 120.500 -0.813 0.000 2.189 100 R HA 0.033 4.374 4.340 0.001 0.000 0.218 100 R C 0.765 176.472 176.300 -0.989 0.000 1.074 100 R CA 1.079 56.564 56.100 -1.025 0.000 0.991 100 R CB -0.200 29.197 30.300 -1.506 0.000 0.883 100 R HN 0.497 nan 8.270 nan 0.000 0.457 101 F N -1.594 118.128 119.950 -0.380 0.000 2.728 101 F HA 0.269 4.797 4.527 0.001 0.000 0.314 101 F C 0.651 176.217 175.800 -0.391 0.000 1.094 101 F CA -0.422 57.364 58.000 -0.357 0.000 1.217 101 F CB 1.032 39.799 39.000 -0.388 0.000 1.056 101 F HN -0.232 nan 8.300 nan 0.000 0.577 102 T N -0.110 114.188 114.554 -0.427 0.000 2.889 102 T HA 0.325 4.676 4.350 0.001 0.000 0.315 102 T C -0.931 173.311 174.700 -0.764 0.000 1.291 102 T CA -0.489 61.270 62.100 -0.569 0.000 1.028 102 T CB 1.757 70.172 68.868 -0.756 0.000 1.235 102 T HN 0.042 nan 8.240 nan 0.000 0.491 103 E N 1.045 120.890 120.200 -0.592 0.000 2.359 103 E HA 0.492 4.843 4.350 0.001 0.000 0.255 103 E C -1.049 175.163 176.600 -0.646 0.000 1.191 103 E CA -0.591 55.500 56.400 -0.515 0.000 0.952 103 E CB 0.973 30.527 29.700 -0.243 0.000 1.152 103 E HN 0.508 nan 8.360 nan 0.000 0.496 104 W N 0.352 121.618 121.300 -0.058 0.000 2.819 104 W HA 0.398 5.059 4.660 0.001 0.000 0.337 104 W C -0.194 176.348 176.519 0.038 0.000 1.077 104 W CA -0.778 56.583 57.345 0.026 0.000 1.226 104 W CB 1.251 30.815 29.460 0.174 0.000 1.419 104 W HN 0.097 nan 8.180 nan 0.000 0.502 105 R N 3.369 124.066 120.500 0.327 0.000 2.288 105 R HA 0.384 4.725 4.340 0.001 0.000 0.326 105 R C -2.632 173.857 176.300 0.315 0.000 0.959 105 R CA -1.836 54.401 56.100 0.230 0.000 0.834 105 R CB 1.106 31.482 30.300 0.127 0.000 1.157 105 R HN 0.111 nan 8.270 nan 0.000 0.470 106 P HA -0.043 nan 4.420 nan 0.000 0.263 106 P C -1.595 175.907 177.300 0.338 0.000 1.195 106 P CA 0.483 63.741 63.100 0.263 0.000 0.762 106 P CB 0.104 31.912 31.700 0.181 0.000 0.799 107 Y N 2.074 122.481 120.300 0.177 0.000 2.482 107 Y HA 0.302 4.853 4.550 0.001 0.000 0.334 107 Y C -1.272 174.743 175.900 0.191 0.000 1.091 107 Y CA -0.573 57.637 58.100 0.184 0.000 1.027 107 Y CB 1.877 40.472 38.460 0.226 0.000 1.306 107 Y HN 0.288 nan 8.280 nan 0.000 0.446 108 Q N 5.154 124.679 119.800 -0.459 0.000 2.523 108 Q HA 0.174 4.515 4.340 0.001 0.000 0.251 108 Q C -1.223 174.386 176.000 -0.652 0.000 1.033 108 Q CA -0.876 54.694 55.803 -0.388 0.000 0.746 108 Q CB 0.881 29.522 28.738 -0.162 0.000 1.189 108 Q HN 0.708 nan 8.270 nan 0.000 0.508 109 H N 2.180 120.748 119.070 -0.837 0.000 3.115 109 H HA -0.003 4.554 4.556 0.001 0.000 0.324 109 H C -0.606 174.534 175.328 -0.313 0.000 1.007 109 H CA 1.217 56.944 56.048 -0.536 0.000 1.385 109 H CB 0.435 30.135 29.762 -0.102 0.000 1.351 109 H HN 0.371 nan 8.280 nan 0.000 0.592 110 R N 3.142 123.300 120.500 -0.570 0.000 2.621 110 R HA 0.528 4.869 4.340 0.001 0.000 0.292 110 R C -1.309 174.640 176.300 -0.585 0.000 0.969 110 R CA -1.005 54.830 56.100 -0.442 0.000 0.887 110 R CB 2.080 32.220 30.300 -0.265 0.000 1.180 110 R HN 0.320 nan 8.270 nan 0.000 0.450 111 V N 4.064 123.719 119.914 -0.432 0.000 2.604 111 V HA 0.467 4.588 4.120 0.001 0.000 0.305 111 V C -0.917 175.021 176.094 -0.259 0.000 1.043 111 V CA -0.925 61.125 62.300 -0.417 0.000 0.888 111 V CB 1.914 33.434 31.823 -0.505 0.000 0.995 111 V HN 0.430 nan 8.190 nan 0.000 0.429 112 L N 3.431 124.500 121.223 -0.255 0.000 2.346 112 L HA 0.851 5.191 4.340 0.001 0.000 0.276 112 L C 0.250 176.992 176.870 -0.214 0.000 1.006 112 L CA -0.525 54.196 54.840 -0.198 0.000 0.817 112 L CB 1.585 43.529 42.059 -0.192 0.000 1.272 112 L HN 0.817 nan 8.230 nan 0.000 0.421 113 A N 1.703 124.435 122.820 -0.147 0.000 2.317 113 A HA 0.618 4.939 4.320 0.001 0.000 0.327 113 A C -0.120 177.338 177.584 -0.211 0.000 1.178 113 A CA -0.429 51.502 52.037 -0.177 0.000 0.817 113 A CB 1.008 19.987 19.000 -0.036 0.000 1.189 113 A HN 0.629 nan 8.150 nan 0.000 0.489 114 S N 2.167 117.672 115.700 -0.325 0.000 2.411 114 S HA 0.491 4.962 4.470 0.001 0.000 0.304 114 S C -0.645 173.828 174.600 -0.212 0.000 1.098 114 S CA -0.335 57.714 58.200 -0.252 0.000 1.068 114 S CB -0.651 62.367 63.200 -0.303 0.000 1.032 114 S HN 0.682 nan 8.310 nan 0.000 0.511 115 V N 5.018 124.794 119.914 -0.231 0.000 2.588 115 V HA 0.406 4.527 4.120 0.001 0.000 0.304 115 V C -0.243 175.738 176.094 -0.189 0.000 1.042 115 V CA -0.782 61.335 62.300 -0.305 0.000 0.877 115 V CB 1.662 33.120 31.823 -0.609 0.000 0.996 115 V HN 0.878 nan 8.190 nan 0.000 0.425 116 D N 3.841 124.154 120.400 -0.146 0.000 2.811 116 D HA -0.192 4.449 4.640 0.001 0.000 0.231 116 D C 1.318 177.581 176.300 -0.062 0.000 1.157 116 D CA 2.098 56.042 54.000 -0.093 0.000 0.716 116 D CB -1.112 39.631 40.800 -0.095 0.000 1.077 116 D HN 1.475 nan 8.370 nan 0.000 0.428 117 G N -1.269 107.502 108.800 -0.049 0.000 2.217 117 G HA2 -0.336 3.625 3.960 0.001 0.000 0.246 117 G HA3 -0.336 3.625 3.960 0.001 0.000 0.246 117 G C 0.296 175.180 174.900 -0.026 0.000 0.990 117 G CA 0.570 45.657 45.100 -0.022 0.000 0.627 117 G HN 0.514 nan 8.290 nan 0.000 0.522 118 Q N -0.706 119.064 119.800 -0.051 0.000 2.195 118 Q HA 0.759 5.100 4.340 0.001 0.000 0.250 118 Q C -0.215 175.745 176.000 -0.067 0.000 0.988 118 Q CA -0.779 54.994 55.803 -0.050 0.000 0.911 118 Q CB 1.691 30.399 28.738 -0.051 0.000 1.258 118 Q HN 0.277 nan 8.270 nan 0.000 0.475 119 L N 2.564 123.749 121.223 -0.063 0.000 2.301 119 L HA 0.352 4.692 4.340 0.001 0.000 0.278 119 L C -1.290 175.541 176.870 -0.064 0.000 1.022 119 L CA -0.568 54.222 54.840 -0.084 0.000 0.854 119 L CB 0.574 42.579 42.059 -0.090 0.000 1.226 119 L HN 0.245 nan 8.230 nan 0.000 0.429 120 L N 4.976 126.176 121.223 -0.039 0.000 2.333 120 L HA 0.641 4.982 4.340 0.001 0.000 0.269 120 L C -2.238 174.617 176.870 -0.025 0.000 1.010 120 L CA -2.659 52.179 54.840 -0.002 0.000 0.818 120 L CB 1.152 43.272 42.059 0.102 0.000 1.306 120 L HN 0.206 nan 8.230 nan 0.000 0.430 121 P HA 0.216 nan 4.420 nan 0.000 0.267 121 P C -0.810 176.413 177.300 -0.130 0.000 1.209 121 P CA 0.152 63.193 63.100 -0.100 0.000 0.763 121 P CB 0.543 32.180 31.700 -0.105 0.000 0.816 122 I N 6.028 126.528 120.570 -0.116 0.000 2.509 122 I HA 0.486 4.657 4.170 0.001 0.000 0.293 122 I C -2.557 173.523 176.117 -0.062 0.000 1.020 122 I CA -3.514 57.703 61.300 -0.138 0.000 1.088 122 I CB 1.803 39.733 38.000 -0.117 0.000 1.267 122 I HN 0.183 nan 8.210 nan 0.000 0.430 123 P HA 0.104 nan 4.420 nan 0.000 0.265 123 P C -0.462 176.713 177.300 -0.208 0.000 1.187 123 P CA 0.227 63.205 63.100 -0.203 0.000 0.766 123 P CB 0.161 31.727 31.700 -0.223 0.000 0.820 124 I N 2.767 123.179 120.570 -0.264 0.000 2.821 124 I HA -0.097 4.074 4.170 0.001 0.000 0.294 124 I C 1.211 177.270 176.117 -0.098 0.000 1.210 124 I CA 0.804 61.930 61.300 -0.290 0.000 1.430 124 I CB -0.342 37.472 38.000 -0.309 0.000 1.356 124 I HN 0.531 nan 8.210 nan 0.000 0.563 125 N N 5.906 124.566 118.700 -0.067 0.000 3.167 125 N HA 0.272 5.012 4.740 0.001 0.000 0.323 125 N C 0.401 175.910 175.510 -0.002 0.000 1.478 125 N CA -0.920 52.126 53.050 -0.006 0.000 0.753 125 N CB 0.574 39.026 38.487 -0.058 0.000 1.721 125 N HN 0.451 nan 8.380 nan 0.000 0.618 126 L N -0.243 120.957 121.223 -0.038 0.000 2.021 126 L HA -0.200 4.141 4.340 0.001 0.000 0.215 126 L C 0.581 177.394 176.870 -0.094 0.000 1.074 126 L CA 2.226 57.011 54.840 -0.090 0.000 0.760 126 L CB -0.432 41.560 42.059 -0.112 0.000 0.889 126 L HN 0.539 nan 8.230 nan 0.000 0.433 127 D N -1.041 119.310 120.400 -0.083 0.000 2.178 127 D HA -0.129 4.512 4.640 0.001 0.000 0.202 127 D C 2.023 178.276 176.300 -0.078 0.000 0.974 127 D CA 1.574 55.526 54.000 -0.080 0.000 0.841 127 D CB -0.065 40.690 40.800 -0.074 0.000 0.953 127 D HN 0.396 nan 8.370 nan 0.000 0.478 128 T N 0.750 115.255 114.554 -0.080 0.000 2.746 128 T HA -0.090 4.261 4.350 0.001 0.000 0.267 128 T C 2.322 176.976 174.700 -0.077 0.000 1.039 128 T CA 0.800 62.849 62.100 -0.085 0.000 1.142 128 T CB -0.287 68.475 68.868 -0.177 0.000 0.866 128 T HN -0.007 nan 8.240 nan 0.000 0.444 129 V N 2.366 122.241 119.914 -0.065 0.000 2.270 129 V HA -0.151 3.970 4.120 0.001 0.000 0.245 129 V C 2.500 178.528 176.094 -0.110 0.000 1.043 129 V CA 1.467 63.728 62.300 -0.066 0.000 1.014 129 V CB -0.679 31.092 31.823 -0.087 0.000 0.645 129 V HN 0.387 nan 8.190 nan 0.000 0.447 130 N N 0.636 119.264 118.700 -0.120 0.000 2.043 130 N HA -0.166 4.575 4.740 0.001 0.000 0.193 130 N C 1.964 177.431 175.510 -0.072 0.000 1.037 130 N CA 1.630 54.619 53.050 -0.101 0.000 0.851 130 N CB -0.399 38.029 38.487 -0.099 0.000 1.027 130 N HN 0.473 nan 8.380 nan 0.000 0.422 131 R N 0.102 120.558 120.500 -0.074 0.000 2.115 131 R HA -0.037 4.304 4.340 0.001 0.000 0.230 131 R C 2.080 178.336 176.300 -0.074 0.000 1.111 131 R CA 0.543 56.606 56.100 -0.061 0.000 0.976 131 R CB -0.373 29.895 30.300 -0.054 0.000 0.870 131 R HN 0.171 nan 8.270 nan 0.000 0.445 132 L N -0.425 120.719 121.223 -0.131 0.000 2.023 132 L HA -0.120 4.221 4.340 0.001 0.000 0.205 132 L C 1.470 178.219 176.870 -0.202 0.000 1.073 132 L CA 1.746 56.452 54.840 -0.224 0.000 0.745 132 L CB -0.238 41.592 42.059 -0.382 0.000 0.900 132 L HN 0.028 nan 8.230 nan 0.000 0.435 133 Y N 0.194 120.496 120.300 0.005 0.000 2.500 133 Y HA 0.416 4.967 4.550 0.001 0.000 0.270 133 Y C 1.710 177.590 175.900 -0.033 0.000 1.134 133 Y CA -0.050 58.046 58.100 -0.007 0.000 1.293 133 Y CB -0.437 38.010 38.460 -0.021 0.000 1.063 133 Y HN 0.282 nan 8.280 nan 0.000 0.534 134 G N 0.836 109.676 108.800 0.067 0.000 2.212 134 G HA2 -0.245 3.716 3.960 0.001 0.000 0.255 134 G HA3 -0.245 3.716 3.960 0.001 0.000 0.255 134 G C -0.127 174.773 174.900 0.000 0.000 1.062 134 G CA 0.089 45.203 45.100 0.023 0.000 0.815 134 G HN 0.253 nan 8.290 nan 0.000 0.497 135 L N -0.870 120.337 121.223 -0.026 0.000 2.472 135 L HA 0.565 4.906 4.340 0.001 0.000 0.256 135 L C 0.771 177.592 176.870 -0.081 0.000 1.111 135 L CA -1.071 53.723 54.840 -0.077 0.000 0.800 135 L CB 0.720 42.677 42.059 -0.170 0.000 1.286 135 L HN 0.063 nan 8.230 nan 0.000 0.479 136 N N 1.245 119.892 118.700 -0.088 0.000 2.646 136 N HA 0.305 5.046 4.740 0.001 0.000 0.303 136 N C -0.806 174.654 175.510 -0.085 0.000 1.921 136 N CA -0.125 52.880 53.050 -0.075 0.000 0.872 136 N CB 0.822 39.280 38.487 -0.049 0.000 1.327 136 N HN 0.394 nan 8.380 nan 0.000 0.492 137 L N 1.086 122.233 121.223 -0.126 0.000 2.483 137 L HA 0.122 4.462 4.340 0.001 0.000 0.276 137 L C 1.593 178.405 176.870 -0.097 0.000 1.213 137 L CA 0.200 54.966 54.840 -0.124 0.000 0.843 137 L CB 0.165 42.105 42.059 -0.199 0.000 1.107 137 L HN 0.195 nan 8.230 nan 0.000 0.487 138 T N -1.657 112.860 114.554 -0.060 0.000 2.847 138 T HA 0.151 4.502 4.350 0.001 0.000 0.279 138 T C 1.139 175.755 174.700 -0.141 0.000 0.984 138 T CA -0.610 61.448 62.100 -0.069 0.000 0.988 138 T CB 1.362 70.251 68.868 0.035 0.000 1.040 138 T HN 0.538 nan 8.240 nan 0.000 0.528 139 S N 0.063 115.598 115.700 -0.275 0.000 2.399 139 S HA -0.029 4.442 4.470 0.001 0.000 0.231 139 S C 1.482 175.892 174.600 -0.317 0.000 1.022 139 S CA 1.067 59.056 58.200 -0.352 0.000 0.983 139 S CB -0.713 62.184 63.200 -0.505 0.000 0.803 139 S HN 0.654 nan 8.310 nan 0.000 0.480 140 F N 1.824 121.757 119.950 -0.029 0.000 2.234 140 F HA -0.059 4.469 4.527 0.001 0.000 0.299 140 F C 2.525 178.311 175.800 -0.022 0.000 1.087 140 F CA 0.729 58.718 58.000 -0.019 0.000 1.340 140 F CB -0.699 38.292 39.000 -0.016 0.000 1.031 140 F HN 0.229 nan 8.300 nan 0.000 0.500 141 Q N -0.563 119.299 119.800 0.102 0.000 2.212 141 Q HA -0.067 4.273 4.340 0.001 0.000 0.199 141 Q C 2.442 178.435 176.000 -0.012 0.000 0.950 141 Q CA 0.923 56.754 55.803 0.046 0.000 0.863 141 Q CB -0.466 28.282 28.738 0.016 0.000 0.944 141 Q HN 0.317 nan 8.270 nan 0.000 0.465 142 V N 1.179 121.031 119.914 -0.104 0.000 2.568 142 V HA -0.303 3.818 4.120 0.001 0.000 0.253 142 V C 1.988 177.938 176.094 -0.240 0.000 1.072 142 V CA 2.120 64.267 62.300 -0.255 0.000 1.084 142 V CB -0.102 31.513 31.823 -0.348 0.000 0.676 142 V HN 0.372 nan 8.190 nan 0.000 0.469 143 E N -0.081 120.096 120.200 -0.038 0.000 2.051 143 E HA -0.244 4.106 4.350 0.001 0.000 0.192 143 E C 2.118 178.780 176.600 0.103 0.000 0.991 143 E CA 1.846 58.301 56.400 0.092 0.000 0.799 143 E CB -0.156 29.609 29.700 0.107 0.000 0.748 143 E HN 0.795 nan 8.360 nan 0.000 0.449 144 E N -0.143 120.104 120.200 0.078 0.000 2.051 144 E HA -0.211 4.140 4.350 0.001 0.000 0.192 144 E C 1.924 178.572 176.600 0.080 0.000 0.991 144 E CA 1.133 57.577 56.400 0.074 0.000 0.799 144 E CB -0.336 29.405 29.700 0.067 0.000 0.748 144 E HN 0.280 nan 8.360 nan 0.000 0.449 145 F N 1.357 121.254 119.950 -0.087 0.000 2.065 145 F HA -0.275 4.253 4.527 0.001 0.000 0.298 145 F C 1.889 177.687 175.800 -0.003 0.000 1.112 145 F CA 1.451 59.389 58.000 -0.104 0.000 1.212 145 F CB -0.327 38.540 39.000 -0.222 0.000 0.975 145 F HN -0.104 nan 8.300 nan 0.000 0.476 146 F N 0.961 120.895 119.950 -0.027 0.000 2.065 146 F HA -0.226 4.302 4.527 0.001 0.000 0.298 146 F C 2.724 178.421 175.800 -0.171 0.000 1.112 146 F CA 1.207 59.125 58.000 -0.136 0.000 1.212 146 F CB -1.808 37.197 39.000 0.008 0.000 0.975 146 F HN 0.116 nan 8.300 nan 0.000 0.476 147 A N -0.427 122.456 122.820 0.106 0.000 1.940 147 A HA -0.229 4.092 4.320 0.001 0.000 0.219 147 A C 2.335 179.894 177.584 -0.041 0.000 1.176 147 A CA 2.220 54.273 52.037 0.027 0.000 0.631 147 A CB -1.221 17.801 19.000 0.037 0.000 0.814 147 A HN 0.411 nan 8.150 nan 0.000 0.446 148 S N -0.694 114.952 115.700 -0.089 0.000 2.555 148 S HA 0.055 4.526 4.470 0.001 0.000 0.230 148 S C 1.248 175.752 174.600 -0.160 0.000 0.978 148 S CA 1.299 59.433 58.200 -0.109 0.000 0.934 148 S CB -0.320 62.824 63.200 -0.095 0.000 0.766 148 S HN 1.191 nan 8.310 nan 0.000 0.533 149 V N -3.153 116.638 119.914 -0.205 0.000 3.426 149 V HA 0.658 4.779 4.120 0.001 0.000 0.279 149 V C 0.738 176.766 176.094 -0.110 0.000 1.544 149 V CA -0.074 62.112 62.300 -0.190 0.000 1.017 149 V CB -0.658 30.974 31.823 -0.319 0.000 0.821 149 V HN 0.498 nan 8.190 nan 0.000 0.432 150 A N 1.417 124.184 122.820 -0.088 0.000 2.546 150 A HA 0.346 4.667 4.320 0.001 0.000 0.243 150 A C 0.288 177.829 177.584 -0.072 0.000 1.063 150 A CA 0.204 52.197 52.037 -0.072 0.000 0.757 150 A CB -0.324 18.640 19.000 -0.060 0.000 0.991 150 A HN 0.680 nan 8.150 nan 0.000 0.503 151 E N 1.313 121.465 120.200 -0.080 0.000 2.283 151 E HA 0.211 4.562 4.350 0.001 0.000 0.278 151 E C -0.186 176.367 176.600 -0.079 0.000 1.027 151 E CA -0.450 55.904 56.400 -0.077 0.000 0.843 151 E CB 1.040 30.688 29.700 -0.087 0.000 1.062 151 E HN 0.590 nan 8.360 nan 0.000 0.401 152 K N 2.268 122.629 120.400 -0.064 0.000 2.322 152 K HA 0.197 4.518 4.320 0.001 0.000 0.283 152 K C -1.088 175.473 176.600 -0.066 0.000 1.042 152 K CA -0.301 55.949 56.287 -0.060 0.000 0.958 152 K CB 0.670 33.142 32.500 -0.047 0.000 0.984 152 K HN 0.199 nan 8.250 nan 0.000 0.473 153 V N 5.242 125.114 119.914 -0.070 0.000 2.448 153 V HA 0.066 4.187 4.120 0.001 0.000 0.295 153 V C 0.350 176.409 176.094 -0.059 0.000 1.025 153 V CA -0.657 61.599 62.300 -0.073 0.000 0.859 153 V CB 1.393 33.160 31.823 -0.092 0.000 0.988 153 V HN 0.979 nan 8.190 nan 0.000 0.431 154 E N 2.783 122.951 120.200 -0.052 0.000 2.028 154 E HA -0.232 4.119 4.350 0.001 0.000 0.217 154 E C 0.846 177.420 176.600 -0.044 0.000 1.039 154 E CA 1.524 57.898 56.400 -0.043 0.000 0.882 154 E CB -0.051 29.626 29.700 -0.039 0.000 0.794 154 E HN 0.727 nan 8.360 nan 0.000 0.488 155 Q N 0.051 119.823 119.800 -0.047 0.000 2.394 155 Q HA 0.401 4.742 4.340 0.001 0.000 0.273 155 Q C -1.544 174.421 176.000 -0.058 0.000 1.089 155 Q CA -0.688 55.087 55.803 -0.047 0.000 0.812 155 Q CB 2.207 30.922 28.738 -0.039 0.000 1.353 155 Q HN 0.115 nan 8.270 nan 0.000 0.438 156 V N 5.364 125.241 119.914 -0.062 0.000 2.387 156 V HA 0.171 4.292 4.120 0.001 0.000 0.260 156 V C 0.790 176.842 176.094 -0.070 0.000 1.054 156 V CA 0.495 62.749 62.300 -0.076 0.000 0.967 156 V CB 0.406 32.180 31.823 -0.083 0.000 1.036 156 V HN 0.772 nan 8.190 nan 0.000 0.481 157 R N 2.161 122.617 120.500 -0.074 0.000 2.125 157 R HA 0.148 4.489 4.340 0.001 0.000 0.195 157 R C 1.098 177.350 176.300 -0.080 0.000 1.138 157 R CA 0.666 56.725 56.100 -0.067 0.000 1.123 157 R CB 0.135 30.401 30.300 -0.056 0.000 1.049 157 R HN 0.709 nan 8.270 nan 0.000 0.503 158 T N -1.988 112.512 114.554 -0.088 0.000 2.824 158 T HA 0.177 4.528 4.350 0.001 0.000 0.277 158 T C 1.129 175.759 174.700 -0.116 0.000 0.975 158 T CA -0.497 61.544 62.100 -0.097 0.000 0.966 158 T CB 1.786 70.603 68.868 -0.085 0.000 1.054 158 T HN -0.129 nan 8.240 nan 0.000 0.533 159 S N -0.644 114.984 115.700 -0.119 0.000 2.406 159 S HA -0.067 4.403 4.470 0.001 0.000 0.228 159 S C 1.857 176.397 174.600 -0.101 0.000 1.020 159 S CA 1.139 59.267 58.200 -0.120 0.000 0.965 159 S CB -0.604 62.520 63.200 -0.126 0.000 0.798 159 S HN 0.886 nan 8.310 nan 0.000 0.488 160 E N 0.874 121.027 120.200 -0.078 0.000 2.118 160 E HA -0.214 4.136 4.350 0.001 0.000 0.195 160 E C 1.032 177.443 176.600 -0.315 0.000 0.992 160 E CA 1.571 57.864 56.400 -0.179 0.000 0.804 160 E CB -0.064 29.531 29.700 -0.174 0.000 0.741 160 E HN 0.397 nan 8.360 nan 0.000 0.458 161 D N 0.260 120.528 120.400 -0.219 0.000 2.097 161 D HA -0.134 4.507 4.640 0.001 0.000 0.197 161 D C 2.172 178.345 176.300 -0.211 0.000 0.984 161 D CA 1.289 55.166 54.000 -0.206 0.000 0.826 161 D CB -0.395 40.317 40.800 -0.147 0.000 0.973 161 D HN 0.145 nan 8.370 nan 0.000 0.460 162 V N 0.855 120.649 119.914 -0.200 0.000 2.317 162 V HA -0.231 3.890 4.120 0.001 0.000 0.251 162 V C 2.564 178.496 176.094 -0.269 0.000 1.065 162 V CA 1.299 63.473 62.300 -0.210 0.000 1.049 162 V CB -0.651 31.048 31.823 -0.206 0.000 0.651 162 V HN 0.067 nan 8.190 nan 0.000 0.450 163 V N -1.228 118.488 119.914 -0.331 0.000 2.426 163 V HA -0.071 4.050 4.120 0.001 0.000 0.242 163 V C 2.345 178.278 176.094 -0.268 0.000 1.036 163 V CA 1.253 63.322 62.300 -0.385 0.000 1.044 163 V CB 0.327 31.839 31.823 -0.519 0.000 0.688 163 V HN 0.362 nan 8.190 nan 0.000 0.462 164 V N 1.224 120.953 119.914 -0.308 0.000 2.594 164 V HA -0.180 3.941 4.120 0.001 0.000 0.253 164 V C 2.435 178.418 176.094 -0.184 0.000 1.069 164 V CA 2.297 64.440 62.300 -0.263 0.000 1.082 164 V CB -0.266 31.332 31.823 -0.376 0.000 0.680 164 V HN 0.756 nan 8.190 nan 0.000 0.469 165 S N -1.967 113.622 115.700 -0.186 0.000 2.575 165 S HA 0.103 4.574 4.470 0.001 0.000 0.215 165 S C 1.537 176.050 174.600 -0.144 0.000 0.966 165 S CA 0.083 58.196 58.200 -0.144 0.000 0.911 165 S CB 0.080 63.202 63.200 -0.130 0.000 0.780 165 S HN 0.607 nan 8.310 nan 0.000 0.514 166 K N 0.760 121.046 120.400 -0.190 0.000 2.286 166 K HA 0.210 4.531 4.320 0.001 0.000 0.203 166 K C 1.564 177.982 176.600 -0.303 0.000 1.078 166 K CA 1.095 57.240 56.287 -0.238 0.000 0.957 166 K CB 0.390 32.714 32.500 -0.294 0.000 1.018 166 K HN 0.361 nan 8.250 nan 0.000 0.484 167 V N -2.867 116.887 119.914 -0.266 0.000 3.432 167 V HA 0.441 4.562 4.120 0.001 0.000 0.298 167 V C 0.473 176.563 176.094 -0.006 0.000 1.464 167 V CA 0.144 62.315 62.300 -0.216 0.000 1.046 167 V CB -0.004 31.660 31.823 -0.265 0.000 0.887 167 V HN 0.379 nan 8.190 nan 0.000 0.441 168 G N 1.478 110.257 108.800 -0.035 0.000 2.760 168 G HA2 -0.252 3.709 3.960 0.001 0.000 0.246 168 G HA3 -0.252 3.709 3.960 0.001 0.000 0.246 168 G C 0.165 175.114 174.900 0.082 0.000 1.359 168 G CA 0.497 45.595 45.100 -0.003 0.000 0.861 168 G HN 0.662 nan 8.290 nan 0.000 0.541 169 R N -0.197 120.352 120.500 0.082 0.000 2.057 169 R HA 0.024 4.365 4.340 0.001 0.000 0.229 169 R C 2.267 178.718 176.300 0.250 0.000 1.136 169 R CA 2.382 58.578 56.100 0.159 0.000 0.952 169 R CB -0.908 29.452 30.300 0.099 0.000 0.848 169 R HN 0.647 nan 8.270 nan 0.000 0.430 170 D N -0.281 120.245 120.400 0.211 0.000 2.123 170 D HA -0.141 4.499 4.640 0.001 0.000 0.196 170 D C 1.850 178.338 176.300 0.314 0.000 0.992 170 D CA 1.388 55.537 54.000 0.248 0.000 0.833 170 D CB -0.057 40.904 40.800 0.269 0.000 0.954 170 D HN 0.301 nan 8.370 nan 0.000 0.455 171 L N -0.557 120.896 121.223 0.382 0.000 2.141 171 L HA -0.141 4.200 4.340 0.001 0.000 0.209 171 L C 2.302 179.459 176.870 0.479 0.000 1.094 171 L CA 0.979 56.099 54.840 0.467 0.000 0.763 171 L CB -0.579 41.746 42.059 0.443 0.000 0.908 171 L HN 0.205 nan 8.230 nan 0.000 0.437 172 Y N 1.236 121.701 120.300 0.275 0.000 2.181 172 Y HA -0.222 4.329 4.550 0.001 0.000 0.288 172 Y C 2.385 178.440 175.900 0.258 0.000 1.146 172 Y CA 1.588 59.856 58.100 0.281 0.000 1.164 172 Y CB -0.264 38.272 38.460 0.127 0.000 0.982 172 Y HN 0.202 nan 8.280 nan 0.000 0.515 173 N N 0.700 119.436 118.700 0.060 0.000 2.188 173 N HA -0.137 4.604 4.740 0.001 0.000 0.184 173 N C 1.550 177.013 175.510 -0.079 0.000 1.018 173 N CA 1.654 54.650 53.050 -0.090 0.000 0.858 173 N CB -0.259 38.253 38.487 0.042 0.000 0.989 173 N HN 0.490 nan 8.380 nan 0.000 0.426 174 K N -0.772 119.623 120.400 -0.008 0.000 2.186 174 K HA 0.077 4.398 4.320 0.001 0.000 0.202 174 K C 1.036 177.378 176.600 -0.431 0.000 1.052 174 K CA 0.747 56.915 56.287 -0.199 0.000 0.965 174 K CB 0.101 32.480 32.500 -0.203 0.000 0.746 174 K HN 0.138 nan 8.250 nan 0.000 0.457 175 F N -1.948 117.949 119.950 -0.089 0.000 2.637 175 F HA 0.180 4.708 4.527 0.001 0.000 0.284 175 F C 1.402 176.939 175.800 -0.438 0.000 1.105 175 F CA 0.032 57.864 58.000 -0.279 0.000 1.356 175 F CB 0.385 39.179 39.000 -0.344 0.000 1.096 175 F HN -0.149 nan 8.300 nan 0.000 0.616 176 F N -0.569 119.408 119.950 0.046 0.000 2.490 176 F HA 0.242 4.769 4.527 0.001 0.000 0.280 176 F C 2.381 178.122 175.800 -0.098 0.000 1.030 176 F CA 0.210 58.212 58.000 0.004 0.000 1.367 176 F CB -0.496 38.546 39.000 0.069 0.000 1.131 176 F HN -0.374 nan 8.300 nan 0.000 0.632 177 R N 0.676 121.027 120.500 -0.248 0.000 2.080 177 R HA -0.112 4.228 4.340 0.001 0.000 0.236 177 R C 2.324 178.590 176.300 -0.057 0.000 1.137 177 R CA 1.934 57.843 56.100 -0.319 0.000 0.943 177 R CB -0.997 28.958 30.300 -0.574 0.000 0.846 177 R HN 0.367 nan 8.270 nan 0.000 0.431 178 G N -0.844 107.929 108.800 -0.046 0.000 2.403 178 G HA2 -0.303 3.658 3.960 0.001 0.000 0.216 178 G HA3 -0.303 3.658 3.960 0.001 0.000 0.216 178 G C 1.288 176.219 174.900 0.052 0.000 1.154 178 G CA 0.611 45.709 45.100 -0.003 0.000 0.784 178 G HN 0.473 nan 8.290 nan 0.000 0.538 179 Y N 1.785 122.068 120.300 -0.028 0.000 2.200 179 Y HA -0.129 4.422 4.550 0.001 0.000 0.290 179 Y C 3.097 179.040 175.900 0.072 0.000 1.137 179 Y CA 2.197 60.298 58.100 0.002 0.000 1.163 179 Y CB -0.185 38.254 38.460 -0.036 0.000 0.988 179 Y HN 0.192 nan 8.280 nan 0.000 0.518 180 T N 0.457 115.202 114.554 0.318 0.000 2.708 180 T HA -0.172 4.179 4.350 0.001 0.000 0.266 180 T C 1.879 176.732 174.700 0.255 0.000 1.037 180 T CA 1.694 64.011 62.100 0.362 0.000 1.146 180 T CB -0.248 68.820 68.868 0.333 0.000 0.865 180 T HN 0.304 nan 8.240 nan 0.000 0.435 181 R N 0.726 121.311 120.500 0.142 0.000 2.117 181 R HA -0.094 4.247 4.340 0.001 0.000 0.243 181 R C 2.557 178.890 176.300 0.054 0.000 1.143 181 R CA 1.456 57.616 56.100 0.100 0.000 0.968 181 R CB -0.160 30.174 30.300 0.055 0.000 0.863 181 R HN 0.296 nan 8.270 nan 0.000 0.444 182 K N 0.387 120.773 120.400 -0.023 0.000 2.001 182 K HA -0.224 4.097 4.320 0.001 0.000 0.208 182 K C 2.207 178.723 176.600 -0.140 0.000 1.048 182 K CA 1.640 57.869 56.287 -0.096 0.000 0.932 182 K CB -0.002 32.388 32.500 -0.184 0.000 0.715 182 K HN 0.003 nan 8.250 nan 0.000 0.437 183 Q N -1.056 118.596 119.800 -0.247 0.000 2.084 183 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 183 Q C 1.124 176.880 176.000 -0.406 0.000 0.978 183 Q CA 2.079 57.625 55.803 -0.428 0.000 0.844 183 Q CB 0.004 28.356 28.738 -0.644 0.000 0.898 183 Q HN 0.411 nan 8.270 nan 0.000 0.426 184 W N -2.090 119.177 121.300 -0.054 0.000 2.915 184 W HA 0.406 5.066 4.660 0.001 0.000 0.276 184 W C 1.356 177.890 176.519 0.026 0.000 1.215 184 W CA 0.268 57.610 57.345 -0.006 0.000 1.514 184 W CB 0.496 29.946 29.460 -0.016 0.000 1.017 184 W HN 0.306 nan 8.180 nan 0.000 0.598 185 G N 0.135 109.057 108.800 0.203 0.000 2.205 185 G HA2 -0.266 3.695 3.960 0.001 0.000 0.261 185 G HA3 -0.266 3.695 3.960 0.001 0.000 0.261 185 G C -0.044 174.942 174.900 0.143 0.000 0.980 185 G CA 0.483 45.669 45.100 0.142 0.000 0.632 185 G HN 0.019 nan 8.290 nan 0.000 0.533 186 L N 0.478 121.811 121.223 0.184 0.000 2.332 186 L HA 0.691 5.032 4.340 0.001 0.000 0.269 186 L C 0.429 177.364 176.870 0.109 0.000 1.016 186 L CA -1.337 53.576 54.840 0.121 0.000 0.809 186 L CB 0.842 42.954 42.059 0.088 0.000 1.280 186 L HN 0.227 nan 8.230 nan 0.000 0.447 187 D N 1.020 121.468 120.400 0.079 0.000 2.360 187 D HA 0.166 4.807 4.640 0.001 0.000 0.242 187 D C -1.635 174.709 176.300 0.074 0.000 1.184 187 D CA -0.900 53.152 54.000 0.087 0.000 0.930 187 D CB 1.236 42.087 40.800 0.084 0.000 1.161 187 D HN 0.277 nan 8.370 nan 0.000 0.447 188 P HA -0.126 nan 4.420 nan 0.000 0.219 188 P C 0.935 178.250 177.300 0.026 0.000 1.146 188 P CA 1.096 64.255 63.100 0.098 0.000 0.808 188 P CB 0.010 31.883 31.700 0.288 0.000 0.779 189 S N -0.396 115.330 115.700 0.044 0.000 2.423 189 S HA -0.126 4.345 4.470 0.001 0.000 0.231 189 S C 1.424 176.009 174.600 -0.026 0.000 1.014 189 S CA 0.890 59.087 58.200 -0.005 0.000 0.965 189 S CB -0.997 62.208 63.200 0.008 0.000 0.785 189 S HN 0.304 nan 8.310 nan 0.000 0.495 190 E N 0.720 120.908 120.200 -0.021 0.000 2.403 190 E HA 0.331 4.682 4.350 0.001 0.000 0.188 190 E C -0.427 176.125 176.600 -0.080 0.000 1.056 190 E CA -0.080 56.302 56.400 -0.031 0.000 0.892 190 E CB 0.016 29.716 29.700 -0.000 0.000 1.049 190 E HN 0.502 nan 8.360 nan 0.000 0.465 191 L N 0.852 122.001 121.223 -0.125 0.000 2.354 191 L HA 0.287 4.628 4.340 0.001 0.000 0.269 191 L C 0.286 177.048 176.870 -0.182 0.000 1.005 191 L CA -1.029 53.681 54.840 -0.217 0.000 0.819 191 L CB 1.968 43.798 42.059 -0.382 0.000 1.311 191 L HN -0.035 nan 8.230 nan 0.000 0.423 192 D N 1.009 121.294 120.400 -0.192 0.000 2.474 192 D HA -0.042 4.599 4.640 0.001 0.000 0.232 192 D C 0.717 176.923 176.300 -0.157 0.000 1.177 192 D CA 0.566 54.476 54.000 -0.150 0.000 0.876 192 D CB 1.573 42.285 40.800 -0.147 0.000 1.208 192 D HN 0.717 nan 8.370 nan 0.000 0.464 193 A N 2.300 125.049 122.820 -0.118 0.000 2.067 193 A HA -0.160 4.161 4.320 0.001 0.000 0.219 193 A C 2.067 179.586 177.584 -0.108 0.000 1.158 193 A CA 1.632 53.600 52.037 -0.114 0.000 0.661 193 A CB -0.417 18.526 19.000 -0.095 0.000 0.801 193 A HN 0.600 nan 8.150 nan 0.000 0.452 194 S N -0.662 114.978 115.700 -0.100 0.000 2.537 194 S HA -0.035 4.436 4.470 0.001 0.000 0.240 194 S C 1.479 176.029 174.600 -0.083 0.000 0.981 194 S CA 1.149 59.304 58.200 -0.076 0.000 0.948 194 S CB -0.481 62.681 63.200 -0.063 0.000 0.759 194 S HN 0.233 nan 8.310 nan 0.000 0.531 195 V N 2.386 122.221 119.914 -0.131 0.000 2.341 195 V HA -0.043 4.078 4.120 0.001 0.000 0.240 195 V C 3.014 179.092 176.094 -0.027 0.000 1.035 195 V CA 1.849 64.072 62.300 -0.128 0.000 1.033 195 V CB -1.156 30.464 31.823 -0.338 0.000 0.678 195 V HN 0.794 nan 8.190 nan 0.000 0.464 196 T N -1.499 113.025 114.554 -0.049 0.000 3.081 196 T HA 0.162 4.513 4.350 0.001 0.000 0.255 196 T C 1.680 176.328 174.700 -0.085 0.000 1.113 196 T CA 0.907 62.996 62.100 -0.019 0.000 1.082 196 T CB 0.038 68.830 68.868 -0.126 0.000 0.939 196 T HN 0.362 nan 8.240 nan 0.000 0.506 197 A N 1.953 124.719 122.820 -0.090 0.000 2.121 197 A HA 0.084 4.405 4.320 0.001 0.000 0.218 197 A C 2.502 180.060 177.584 -0.044 0.000 1.154 197 A CA 0.648 52.633 52.037 -0.087 0.000 0.679 197 A CB -0.552 18.401 19.000 -0.079 0.000 0.795 197 A HN 0.527 nan 8.150 nan 0.000 0.458 198 R N -0.573 119.922 120.500 -0.009 0.000 2.091 198 R HA -0.045 4.296 4.340 0.001 0.000 0.238 198 R C 0.017 176.315 176.300 -0.003 0.000 1.136 198 R CA 1.070 57.182 56.100 0.021 0.000 0.959 198 R CB -0.391 29.940 30.300 0.052 0.000 0.856 198 R HN 0.310 nan 8.270 nan 0.000 0.437 199 V N 4.366 124.287 119.914 0.012 0.000 2.389 199 V HA 0.127 4.247 4.120 0.001 0.000 0.264 199 V C -1.613 174.457 176.094 -0.039 0.000 1.049 199 V CA -1.569 60.715 62.300 -0.026 0.000 0.932 199 V CB 0.844 32.739 31.823 0.120 0.000 1.011 199 V HN 0.148 nan 8.190 nan 0.000 0.475 200 P HA 0.310 nan 4.420 nan 0.000 0.293 200 P C -0.322 176.915 177.300 -0.104 0.000 1.298 200 P CA -0.202 62.836 63.100 -0.102 0.000 0.757 200 P CB 0.660 32.297 31.700 -0.105 0.000 1.262 201 T N -0.175 114.307 114.554 -0.120 0.000 2.916 201 T HA 0.492 4.843 4.350 0.001 0.000 0.298 201 T C -0.248 174.410 174.700 -0.069 0.000 1.031 201 T CA -0.624 61.392 62.100 -0.140 0.000 0.993 201 T CB 1.421 70.122 68.868 -0.277 0.000 1.045 201 T HN 0.277 nan 8.240 nan 0.000 0.454 202 R N 0.567 121.063 120.500 -0.006 0.000 2.803 202 R HA 0.627 4.968 4.340 0.001 0.000 0.276 202 R C 0.932 177.316 176.300 0.140 0.000 0.978 202 R CA -0.807 55.312 56.100 0.031 0.000 0.939 202 R CB 1.361 31.644 30.300 -0.028 0.000 1.179 202 R HN 0.777 nan 8.270 nan 0.000 0.472 203 T N -3.082 111.523 114.554 0.085 0.000 3.023 203 T HA 0.022 4.373 4.350 0.001 0.000 0.253 203 T C 0.653 175.316 174.700 -0.062 0.000 1.038 203 T CA -0.277 61.853 62.100 0.050 0.000 0.962 203 T CB -0.197 68.693 68.868 0.038 0.000 1.018 203 T HN 0.578 nan 8.240 nan 0.000 0.521 204 N N 1.975 120.638 118.700 -0.063 0.000 2.443 204 N HA 0.248 4.989 4.740 0.001 0.000 0.294 204 N C 0.390 175.849 175.510 -0.085 0.000 1.289 204 N CA -0.941 52.051 53.050 -0.096 0.000 0.966 204 N CB 0.392 38.827 38.487 -0.087 0.000 1.122 204 N HN 0.153 nan 8.380 nan 0.000 0.569 205 R N -1.672 118.775 120.500 -0.088 0.000 2.546 205 R HA 0.191 4.532 4.340 0.001 0.000 0.320 205 R C -0.615 175.638 176.300 -0.078 0.000 1.021 205 R CA -0.489 55.562 56.100 -0.082 0.000 1.088 205 R CB -0.134 30.117 30.300 -0.081 0.000 1.278 205 R HN 0.552 nan 8.270 nan 0.000 0.557 206 D N 2.281 122.634 120.400 -0.078 0.000 2.401 206 D HA -0.049 4.592 4.640 0.001 0.000 0.254 206 D C 0.452 176.697 176.300 -0.093 0.000 1.192 206 D CA 0.302 54.253 54.000 -0.081 0.000 0.885 206 D CB 0.764 41.516 40.800 -0.079 0.000 1.147 206 D HN 0.220 nan 8.370 nan 0.000 0.478 207 N N 2.912 121.555 118.700 -0.095 0.000 2.205 207 N HA -0.016 4.725 4.740 0.001 0.000 0.201 207 N C -0.110 175.327 175.510 -0.122 0.000 1.128 207 N CA -0.290 52.696 53.050 -0.107 0.000 0.867 207 N CB 0.117 38.544 38.487 -0.100 0.000 0.996 207 N HN 0.164 nan 8.380 nan 0.000 0.503 208 R N -0.097 120.331 120.500 -0.120 0.000 2.643 208 R HA 0.075 4.416 4.340 0.001 0.000 0.270 208 R C 0.423 176.626 176.300 -0.162 0.000 1.061 208 R CA -0.406 55.614 56.100 -0.134 0.000 1.107 208 R CB 0.374 30.610 30.300 -0.107 0.000 0.999 208 R HN 0.047 nan 8.270 nan 0.000 0.460 209 Y N 1.331 121.391 120.300 -0.399 0.000 2.337 209 Y HA 0.104 4.654 4.550 0.001 0.000 0.293 209 Y C -0.204 175.272 175.900 -0.706 0.000 1.123 209 Y CA 0.940 58.687 58.100 -0.588 0.000 1.201 209 Y CB 0.429 38.427 38.460 -0.770 0.000 1.011 209 Y HN 0.400 nan 8.280 nan 0.000 0.545 210 F N -1.872 118.029 119.950 -0.081 0.000 2.538 210 F HA 0.574 5.102 4.527 0.002 0.000 0.325 210 F C 0.715 176.447 175.800 -0.112 0.000 1.066 210 F CA -0.652 57.254 58.000 -0.157 0.000 0.946 210 F CB 1.558 40.416 39.000 -0.236 0.000 1.199 210 F HN -0.232 nan 8.300 nan 0.000 0.473 211 A N 0.108 122.987 122.820 0.098 0.000 2.470 211 A HA 0.262 4.583 4.320 0.001 0.000 0.251 211 A C -0.232 177.352 177.584 -0.001 0.000 1.245 211 A CA -0.320 51.724 52.037 0.012 0.000 0.932 211 A CB -0.583 18.405 19.000 -0.020 0.000 1.037 211 A HN 0.699 nan 8.150 nan 0.000 0.522 212 D N -0.061 120.366 120.400 0.046 0.000 2.390 212 D HA 0.158 4.799 4.640 0.001 0.000 0.236 212 D C 1.259 177.483 176.300 -0.127 0.000 1.189 212 D CA 0.779 54.770 54.000 -0.016 0.000 0.887 212 D CB 0.548 41.361 40.800 0.021 0.000 1.198 212 D HN 0.096 nan 8.370 nan 0.000 0.444 213 T N -0.100 114.315 114.554 -0.232 0.000 2.812 213 T HA -0.104 4.247 4.350 0.001 0.000 0.264 213 T C 0.261 174.522 174.700 -0.731 0.000 1.042 213 T CA 1.096 62.891 62.100 -0.509 0.000 1.140 213 T CB -0.219 68.228 68.868 -0.700 0.000 0.870 213 T HN 0.330 nan 8.240 nan 0.000 0.445 214 Y N 1.761 121.855 120.300 -0.342 0.000 2.356 214 Y HA 0.502 5.053 4.550 0.001 0.000 0.334 214 Y C 0.126 175.786 175.900 -0.401 0.000 0.958 214 Y CA -0.995 56.748 58.100 -0.596 0.000 1.196 214 Y CB 0.697 38.490 38.460 -1.111 0.000 1.137 214 Y HN 0.018 nan 8.280 nan 0.000 0.485 215 Q N 3.151 122.862 119.800 -0.148 0.000 2.394 215 Q HA 0.820 5.161 4.340 0.001 0.000 0.261 215 Q C -1.106 174.981 176.000 0.144 0.000 1.023 215 Q CA -0.738 55.086 55.803 0.035 0.000 0.720 215 Q CB 2.054 30.832 28.738 0.067 0.000 1.241 215 Q HN 0.770 nan 8.270 nan 0.000 0.483 216 A N 2.680 125.677 122.820 0.295 0.000 2.612 216 A HA 0.808 5.129 4.320 0.001 0.000 0.293 216 A C -1.390 176.607 177.584 0.689 0.000 1.075 216 A CA -0.730 51.571 52.037 0.441 0.000 0.680 216 A CB 1.624 20.844 19.000 0.367 0.000 1.279 216 A HN 0.498 nan 8.150 nan 0.000 0.411 217 M N 0.972 120.948 119.600 0.626 0.000 2.578 217 M HA 0.416 4.897 4.480 0.001 0.000 0.321 217 M C -2.612 173.882 176.300 0.323 0.000 1.182 217 M CA -2.426 53.158 55.300 0.472 0.000 0.965 217 M CB 0.982 33.730 32.600 0.246 0.000 1.694 217 M HN 0.274 nan 8.290 nan 0.000 0.461 218 P HA 0.004 nan 4.420 nan 0.000 0.262 218 P C 0.822 177.934 177.300 -0.313 0.000 1.199 218 P CA -0.085 62.762 63.100 -0.422 0.000 0.763 218 P CB 0.214 31.580 31.700 -0.558 0.000 0.790 219 L N 4.299 125.298 121.223 -0.374 0.000 2.187 219 L HA -0.166 4.174 4.340 0.001 0.000 0.213 219 L C 1.058 177.640 176.870 -0.480 0.000 1.100 219 L CA 2.086 56.678 54.840 -0.414 0.000 0.765 219 L CB -0.719 41.004 42.059 -0.559 0.000 0.904 219 L HN 0.455 nan 8.230 nan 0.000 0.437 220 H N -0.844 118.150 119.070 -0.127 0.000 2.567 220 H HA 0.556 5.113 4.556 0.001 0.000 0.267 220 H C 0.852 176.111 175.328 -0.116 0.000 1.148 220 H CA 0.265 56.264 56.048 -0.080 0.000 1.031 220 H CB -0.163 29.562 29.762 -0.061 0.000 1.691 220 H HN 0.262 nan 8.280 nan 0.000 0.588 221 G N 0.019 108.744 108.800 -0.126 0.000 2.707 221 G HA2 -0.265 3.696 3.960 0.001 0.000 0.686 221 G HA3 -0.265 3.696 3.960 0.001 0.000 0.686 221 G C 0.177 174.947 174.900 -0.216 0.000 1.315 221 G CA -0.337 44.638 45.100 -0.208 0.000 0.832 221 G HN 0.261 nan 8.290 nan 0.000 0.573 222 Y N 0.461 120.731 120.300 -0.050 0.000 2.133 222 Y HA -0.103 4.448 4.550 0.001 0.000 0.287 222 Y C 3.443 179.437 175.900 0.156 0.000 1.134 222 Y CA 2.311 60.430 58.100 0.031 0.000 1.133 222 Y CB -0.648 37.861 38.460 0.082 0.000 0.987 222 Y HN 0.692 nan 8.280 nan 0.000 0.502 223 T N 0.418 115.090 114.554 0.197 0.000 2.624 223 T HA -0.283 4.068 4.350 0.001 0.000 0.266 223 T C 1.932 176.717 174.700 0.141 0.000 1.050 223 T CA 1.758 63.933 62.100 0.126 0.000 1.163 223 T CB -0.283 68.543 68.868 -0.070 0.000 0.861 223 T HN 0.230 nan 8.240 nan 0.000 0.443 224 R N 0.435 120.972 120.500 0.062 0.000 2.096 224 R HA 0.050 4.391 4.340 0.001 0.000 0.235 224 R C 2.487 178.786 176.300 -0.002 0.000 1.127 224 R CA 1.110 57.228 56.100 0.029 0.000 0.968 224 R CB -0.732 29.584 30.300 0.027 0.000 0.861 224 R HN 0.494 nan 8.270 nan 0.000 0.440 225 M N -0.268 119.307 119.600 -0.042 0.000 2.132 225 M HA -0.136 4.345 4.480 0.001 0.000 0.263 225 M C 1.606 177.772 176.300 -0.224 0.000 1.065 225 M CA 1.706 56.908 55.300 -0.163 0.000 1.122 225 M CB -0.137 32.294 32.600 -0.281 0.000 1.365 225 M HN -0.042 nan 8.290 nan 0.000 0.411 226 F N 0.910 120.766 119.950 -0.157 0.000 2.171 226 F HA -0.212 4.316 4.527 0.001 0.000 0.300 226 F C 2.535 178.225 175.800 -0.184 0.000 1.090 226 F CA 1.602 59.476 58.000 -0.210 0.000 1.293 226 F CB -0.666 38.216 39.000 -0.196 0.000 1.013 226 F HN 0.253 nan 8.300 nan 0.000 0.486 227 Q N 0.254 120.092 119.800 0.063 0.000 2.045 227 Q HA -0.234 4.107 4.340 0.001 0.000 0.206 227 Q C 2.062 178.029 176.000 -0.056 0.000 0.991 227 Q CA 1.793 57.597 55.803 0.002 0.000 0.851 227 Q CB -0.323 28.423 28.738 0.012 0.000 0.911 227 Q HN 0.362 nan 8.270 nan 0.000 0.418 228 N N 0.440 119.100 118.700 -0.067 0.000 2.061 228 N HA -0.211 4.529 4.740 0.001 0.000 0.193 228 N C 1.623 177.011 175.510 -0.203 0.000 1.030 228 N CA 1.369 54.381 53.050 -0.063 0.000 0.856 228 N CB -0.365 38.136 38.487 0.023 0.000 1.023 228 N HN 0.269 nan 8.380 nan 0.000 0.424 229 M N 0.287 119.609 119.600 -0.463 0.000 2.149 229 M HA -0.071 4.410 4.480 0.001 0.000 0.261 229 M C 0.923 176.968 176.300 -0.426 0.000 1.064 229 M CA 1.376 56.162 55.300 -0.857 0.000 1.102 229 M CB 0.069 32.114 32.600 -0.925 0.000 1.369 229 M HN 0.034 nan 8.290 nan 0.000 0.408 230 L N -0.349 120.739 121.223 -0.226 0.000 2.685 230 L HA 0.100 4.441 4.340 0.001 0.000 0.233 230 L C 1.858 178.671 176.870 -0.095 0.000 1.173 230 L CA -0.100 54.658 54.840 -0.137 0.000 0.961 230 L CB -0.311 41.697 42.059 -0.085 0.000 1.217 230 L HN 0.338 nan 8.230 nan 0.000 0.478 231 S N -2.289 113.356 115.700 -0.093 0.000 2.593 231 S HA -0.012 4.459 4.470 0.001 0.000 0.217 231 S C 1.059 175.642 174.600 -0.029 0.000 0.966 231 S CA -0.251 57.920 58.200 -0.048 0.000 0.914 231 S CB 0.002 63.181 63.200 -0.035 0.000 0.776 231 S HN 0.318 nan 8.310 nan 0.000 0.523 232 S N 2.637 118.317 115.700 -0.033 0.000 2.560 232 S HA 0.216 4.687 4.470 0.001 0.000 0.284 232 S C -1.404 173.198 174.600 0.003 0.000 1.327 232 S CA -1.019 57.175 58.200 -0.010 0.000 1.055 232 S CB 0.550 63.744 63.200 -0.011 0.000 0.868 232 S HN 0.133 nan 8.310 nan 0.000 0.506 233 P HA -0.107 nan 4.420 nan 0.000 0.217 233 P C 0.623 177.948 177.300 0.042 0.000 1.151 233 P CA 1.182 64.298 63.100 0.026 0.000 0.849 233 P CB 0.003 31.720 31.700 0.028 0.000 0.787 234 N N -0.727 118.000 118.700 0.045 0.000 2.515 234 N HA 0.039 4.780 4.740 0.001 0.000 0.191 234 N C 0.269 175.819 175.510 0.067 0.000 1.182 234 N CA 0.537 53.629 53.050 0.071 0.000 0.879 234 N CB -0.100 38.430 38.487 0.072 0.000 0.984 234 N HN 0.287 nan 8.380 nan 0.000 0.453 235 I N 1.282 121.870 120.570 0.030 0.000 2.382 235 I HA 0.211 4.382 4.170 0.001 0.000 0.286 235 I C -0.304 175.808 176.117 -0.009 0.000 1.002 235 I CA -0.847 60.450 61.300 -0.005 0.000 1.135 235 I CB 1.245 39.219 38.000 -0.044 0.000 1.288 235 I HN -0.401 nan 8.210 nan 0.000 0.448 236 K N 6.039 126.423 120.400 -0.028 0.000 2.185 236 K HA 0.584 4.905 4.320 0.001 0.000 0.269 236 K C -0.698 175.834 176.600 -0.113 0.000 0.987 236 K CA -0.737 55.528 56.287 -0.037 0.000 0.865 236 K CB 2.613 35.126 32.500 0.021 0.000 1.090 236 K HN 0.273 nan 8.250 nan 0.000 0.450 237 V N 4.138 124.003 119.914 -0.082 0.000 2.378 237 V HA 0.421 4.542 4.120 0.001 0.000 0.288 237 V C -0.299 175.740 176.094 -0.091 0.000 1.016 237 V CA -0.760 61.480 62.300 -0.100 0.000 0.840 237 V CB 1.439 33.215 31.823 -0.078 0.000 0.994 237 V HN 0.745 nan 8.190 nan 0.000 0.431 238 M N 6.537 126.068 119.600 -0.115 0.000 2.253 238 M HA 0.691 5.172 4.480 0.001 0.000 0.314 238 M C -1.839 174.396 176.300 -0.109 0.000 1.019 238 M CA -0.300 54.943 55.300 -0.095 0.000 0.932 238 M CB 1.461 34.003 32.600 -0.096 0.000 1.606 238 M HN 0.533 nan 8.290 nan 0.000 0.430 239 L N 3.406 124.571 121.223 -0.097 0.000 2.301 239 L HA 0.522 4.863 4.340 0.001 0.000 0.264 239 L C 0.504 177.310 176.870 -0.107 0.000 1.016 239 L CA -0.828 53.937 54.840 -0.125 0.000 0.821 239 L CB 1.757 43.736 42.059 -0.133 0.000 1.346 239 L HN 0.975 nan 8.230 nan 0.000 0.429 240 N N -0.109 118.511 118.700 -0.133 0.000 2.714 240 N HA -0.170 4.571 4.740 0.001 0.000 0.250 240 N C -0.926 174.537 175.510 -0.078 0.000 1.117 240 N CA 1.128 54.115 53.050 -0.105 0.000 0.719 240 N CB -0.625 37.814 38.487 -0.080 0.000 1.081 240 N HN 0.721 nan 8.380 nan 0.000 0.557 241 T N 0.437 114.939 114.554 -0.086 0.000 2.864 241 T HA 0.132 4.482 4.350 0.001 0.000 0.299 241 T C -0.867 173.793 174.700 -0.066 0.000 1.011 241 T CA -0.719 61.340 62.100 -0.068 0.000 0.975 241 T CB 1.344 70.173 68.868 -0.066 0.000 0.962 241 T HN 0.124 nan 8.240 nan 0.000 0.448 242 D N 1.910 122.269 120.400 -0.068 0.000 2.424 242 D HA -0.000 4.641 4.640 0.001 0.000 0.244 242 D C 1.182 177.417 176.300 -0.108 0.000 1.134 242 D CA -0.221 53.739 54.000 -0.067 0.000 0.881 242 D CB 0.771 41.505 40.800 -0.109 0.000 1.191 242 D HN 0.717 nan 8.370 nan 0.000 0.445 243 Y N 3.458 123.704 120.300 -0.090 0.000 2.384 243 Y HA -0.127 4.424 4.550 0.001 0.000 0.289 243 Y C 2.085 177.911 175.900 -0.123 0.000 1.152 243 Y CA 0.773 58.800 58.100 -0.122 0.000 1.258 243 Y CB -0.221 38.177 38.460 -0.103 0.000 0.979 243 Y HN 0.288 nan 8.280 nan 0.000 0.549 244 R N 0.973 120.912 120.500 -0.935 0.000 2.066 244 R HA -0.118 4.223 4.340 0.001 0.000 0.232 244 R C 2.080 178.188 176.300 -0.320 0.000 1.131 244 R CA 1.731 57.409 56.100 -0.704 0.000 0.955 244 R CB -0.358 29.525 30.300 -0.695 0.000 0.851 244 R HN 0.523 nan 8.270 nan 0.000 0.432 245 E N 0.374 120.437 120.200 -0.228 0.000 2.339 245 E HA -0.214 4.137 4.350 0.001 0.000 0.201 245 E C 1.414 177.952 176.600 -0.104 0.000 1.015 245 E CA 1.444 57.786 56.400 -0.096 0.000 0.841 245 E CB -0.152 29.518 29.700 -0.051 0.000 0.754 245 E HN 0.556 nan 8.360 nan 0.000 0.508 246 I N -5.331 115.074 120.570 -0.275 0.000 4.338 246 I HA 0.372 4.543 4.170 0.001 0.000 0.329 246 I C 1.714 177.441 176.117 -0.649 0.000 1.378 246 I CA -0.092 60.815 61.300 -0.655 0.000 1.170 246 I CB 0.800 38.546 38.000 -0.423 0.000 1.206 246 I HN -0.136 nan 8.210 nan 0.000 0.432 247 A N 0.768 123.419 122.820 -0.281 0.000 2.067 247 A HA -0.022 4.299 4.320 0.001 0.000 0.217 247 A C 1.541 179.132 177.584 0.011 0.000 1.156 247 A CA 1.346 53.376 52.037 -0.011 0.000 0.683 247 A CB -0.485 18.572 19.000 0.094 0.000 0.808 247 A HN 0.391 nan 8.150 nan 0.000 0.455 248 D N -1.287 119.067 120.400 -0.078 0.000 2.349 248 D HA 0.094 4.734 4.640 0.001 0.000 0.224 248 D C 0.699 177.094 176.300 0.159 0.000 1.029 248 D CA 0.818 54.848 54.000 0.051 0.000 0.879 248 D CB -0.027 40.836 40.800 0.105 0.000 0.906 248 D HN 0.739 nan 8.370 nan 0.000 0.528 249 F N -2.501 117.498 119.950 0.082 0.000 3.020 249 F HA 0.332 4.860 4.527 0.001 0.000 0.392 249 F C 0.031 175.891 175.800 0.101 0.000 1.018 249 F CA -0.581 57.459 58.000 0.065 0.000 1.045 249 F CB 0.066 39.092 39.000 0.042 0.000 1.261 249 F HN -0.314 nan 8.300 nan 0.000 0.549 250 I N 4.571 125.116 120.570 -0.041 0.000 2.325 250 I HA 0.365 4.535 4.170 0.001 0.000 0.291 250 I C -2.389 173.892 176.117 0.273 0.000 1.019 250 I CA -1.955 59.449 61.300 0.174 0.000 1.302 250 I CB 0.961 39.064 38.000 0.173 0.000 1.401 250 I HN -0.192 nan 8.210 nan 0.000 0.485 251 P HA 0.213 nan 4.420 nan 0.000 0.276 251 P C -1.114 176.314 177.300 0.214 0.000 1.253 251 P CA 0.012 63.149 63.100 0.062 0.000 0.766 251 P CB 0.135 31.839 31.700 0.006 0.000 0.845 252 F N 0.222 120.222 119.950 0.084 0.000 2.581 252 F HA 0.493 5.021 4.527 0.001 0.000 0.311 252 F C 0.868 176.686 175.800 0.029 0.000 1.113 252 F CA -1.028 57.033 58.000 0.101 0.000 0.935 252 F CB 0.962 40.040 39.000 0.130 0.000 1.232 252 F HN -0.011 nan 8.300 nan 0.000 0.445 253 Q N 1.086 120.948 119.800 0.103 0.000 1.994 253 Q HA -0.034 4.307 4.340 0.001 0.000 0.198 253 Q C -0.125 175.919 176.000 0.074 0.000 0.976 253 Q CA 1.738 57.540 55.803 -0.003 0.000 0.828 253 Q CB -0.347 28.363 28.738 -0.047 0.000 0.894 253 Q HN 0.878 nan 8.270 nan 0.000 0.432 254 H N -1.207 117.865 119.070 0.004 0.000 2.572 254 H HA 0.535 5.092 4.556 0.001 0.000 0.359 254 H C -1.110 174.354 175.328 0.226 0.000 1.134 254 H CA -0.537 55.537 56.048 0.044 0.000 1.187 254 H CB 1.389 31.028 29.762 -0.206 0.000 1.597 254 H HN 0.033 nan 8.280 nan 0.000 0.524 255 M N 5.736 125.349 119.600 0.022 0.000 2.336 255 M HA 0.436 4.917 4.480 0.001 0.000 0.342 255 M C -1.551 174.786 176.300 0.061 0.000 1.128 255 M CA -0.646 54.659 55.300 0.008 0.000 1.016 255 M CB 0.785 33.330 32.600 -0.091 0.000 1.665 255 M HN 0.590 nan 8.290 nan 0.000 0.445 256 I N 5.203 125.810 120.570 0.062 0.000 2.328 256 I HA 0.224 4.395 4.170 0.001 0.000 0.287 256 I C -1.484 174.539 176.117 -0.157 0.000 1.012 256 I CA -0.638 60.657 61.300 -0.009 0.000 1.195 256 I CB 0.947 38.963 38.000 0.027 0.000 1.350 256 I HN 0.630 nan 8.210 nan 0.000 0.464 257 Y N 5.988 126.020 120.300 -0.446 0.000 2.335 257 Y HA 0.273 4.823 4.550 0.001 0.000 0.339 257 Y C 1.079 176.785 175.900 -0.323 0.000 0.987 257 Y CA -0.582 57.197 58.100 -0.534 0.000 1.140 257 Y CB 1.395 39.271 38.460 -0.973 0.000 1.173 257 Y HN 0.614 nan 8.280 nan 0.000 0.486 258 T N 1.471 115.587 114.554 -0.729 0.000 3.182 258 T HA 0.432 4.783 4.350 0.001 0.000 0.277 258 T C 0.612 174.935 174.700 -0.628 0.000 1.013 258 T CA 0.068 61.871 62.100 -0.495 0.000 0.900 258 T CB -0.436 68.275 68.868 -0.262 0.000 1.098 258 T HN 0.720 nan 8.240 nan 0.000 0.543 259 G N 2.041 110.055 108.800 -1.310 0.000 2.537 259 G HA2 0.627 4.588 3.960 0.001 0.000 0.297 259 G HA3 0.627 4.588 3.960 0.001 0.000 0.297 259 G C -2.941 171.804 174.900 -0.259 0.000 1.310 259 G CA -1.993 42.660 45.100 -0.746 0.000 1.027 259 G HN 0.154 nan 8.290 nan 0.000 0.505 260 P HA 0.115 nan 4.420 nan 0.000 0.267 260 P C 1.260 178.761 177.300 0.336 0.000 1.205 260 P CA -0.344 62.857 63.100 0.170 0.000 0.765 260 P CB 1.070 32.815 31.700 0.076 0.000 0.828 261 V N 1.493 121.589 119.914 0.302 0.000 2.407 261 V HA -0.227 3.893 4.120 0.001 0.000 0.248 261 V C 1.819 177.840 176.094 -0.123 0.000 1.055 261 V CA 2.206 64.632 62.300 0.211 0.000 1.049 261 V CB -1.507 30.425 31.823 0.182 0.000 0.662 261 V HN 0.489 nan 8.190 nan 0.000 0.455 262 D N 2.002 122.137 120.400 -0.442 0.000 2.264 262 D HA -0.075 4.566 4.640 0.001 0.000 0.208 262 D C 1.895 177.641 176.300 -0.923 0.000 0.966 262 D CA 1.655 55.070 54.000 -0.975 0.000 0.864 262 D CB -0.051 40.280 40.800 -0.783 0.000 0.933 262 D HN 0.515 nan 8.370 nan 0.000 0.499 263 A N -0.061 122.308 122.820 -0.752 0.000 1.975 263 A HA 0.077 4.398 4.320 0.001 0.000 0.215 263 A C 1.963 179.325 177.584 -0.371 0.000 1.170 263 A CA 0.407 51.923 52.037 -0.869 0.000 0.656 263 A CB -1.134 17.694 19.000 -0.287 0.000 0.821 263 A HN 0.234 nan 8.150 nan 0.000 0.449 264 F N -0.539 119.162 119.950 -0.414 0.000 2.333 264 F HA -0.043 4.485 4.527 0.001 0.000 0.300 264 F C 0.505 175.888 175.800 -0.694 0.000 1.083 264 F CA 1.040 58.665 58.000 -0.625 0.000 1.395 264 F CB -0.019 38.344 39.000 -1.062 0.000 1.056 264 F HN 0.185 nan 8.300 nan 0.000 0.529 265 F N 0.936 120.898 119.950 0.019 0.000 2.963 265 F HA 0.207 4.735 4.527 0.001 0.000 0.321 265 F C 0.482 176.254 175.800 -0.045 0.000 1.234 265 F CA -0.722 57.290 58.000 0.020 0.000 1.296 265 F CB -0.571 38.513 39.000 0.139 0.000 0.981 265 F HN -0.094 nan 8.300 nan 0.000 0.507 266 D N 0.350 120.745 120.400 -0.008 0.000 2.845 266 D HA -0.311 4.329 4.640 0.001 0.000 0.229 266 D C 0.184 176.672 176.300 0.313 0.000 1.170 266 D CA 1.020 55.089 54.000 0.117 0.000 0.717 266 D CB -1.223 39.642 40.800 0.109 0.000 1.073 266 D HN 0.497 nan 8.370 nan 0.000 0.424 267 F N -2.967 117.098 119.950 0.193 0.000 3.074 267 F HA -0.384 4.144 4.527 0.002 0.000 0.289 267 F C 2.450 178.387 175.800 0.229 0.000 0.863 267 F CA 0.570 58.715 58.000 0.241 0.000 1.121 267 F CB -2.704 36.389 39.000 0.157 0.000 1.169 267 F HN 0.433 nan 8.300 nan 0.000 0.570 268 C N -1.398 118.045 119.300 0.238 0.000 2.376 268 C HA -0.277 4.184 4.460 0.001 0.000 0.275 268 C C 2.261 177.258 174.990 0.011 0.000 1.200 268 C CA 1.747 60.760 59.018 -0.009 0.000 1.756 268 C CB -1.373 26.175 27.740 -0.320 0.000 2.050 268 C HN 0.535 nan 8.230 nan 0.000 0.460 269 Y N 3.124 123.456 120.300 0.052 0.000 2.490 269 Y HA 0.447 4.998 4.550 0.001 0.000 0.281 269 Y C 1.647 177.623 175.900 0.126 0.000 1.174 269 Y CA 0.213 58.268 58.100 -0.075 0.000 1.295 269 Y CB -1.116 37.047 38.460 -0.496 0.000 1.062 269 Y HN 0.919 nan 8.280 nan 0.000 0.522 270 G N 0.393 109.448 108.800 0.424 0.000 2.612 270 G HA2 -0.152 3.809 3.960 0.001 0.000 0.686 270 G HA3 -0.152 3.809 3.960 0.001 0.000 0.686 270 G C -1.090 174.119 174.900 0.516 0.000 1.274 270 G CA -1.042 44.291 45.100 0.387 0.000 0.849 270 G HN 0.194 nan 8.290 nan 0.000 0.595 271 K N 0.119 120.756 120.400 0.394 0.000 2.297 271 K HA 0.601 4.922 4.320 0.001 0.000 0.286 271 K C 0.587 177.381 176.600 0.324 0.000 1.053 271 K CA -0.595 55.946 56.287 0.424 0.000 0.940 271 K CB 0.526 33.182 32.500 0.260 0.000 1.019 271 K HN 0.531 nan 8.250 nan 0.000 0.475 272 L N 7.717 129.105 121.223 0.276 0.000 2.562 272 L HA 0.160 4.500 4.340 0.001 0.000 0.271 272 L C -1.938 175.121 176.870 0.316 0.000 1.167 272 L CA -1.700 53.215 54.840 0.124 0.000 0.917 272 L CB 0.346 42.312 42.059 -0.155 0.000 1.187 272 L HN 0.609 nan 8.230 nan 0.000 0.482 273 P HA 0.068 nan 4.420 nan 0.000 0.266 273 P C -1.294 176.207 177.300 0.335 0.000 1.215 273 P CA 0.391 63.682 63.100 0.318 0.000 0.763 273 P CB 0.258 32.111 31.700 0.255 0.000 0.806 274 Y N 2.106 122.593 120.300 0.312 0.000 2.562 274 Y HA 0.638 5.189 4.550 0.001 0.000 0.343 274 Y C 0.747 176.801 175.900 0.257 0.000 1.025 274 Y CA -0.836 57.445 58.100 0.301 0.000 1.082 274 Y CB 2.032 40.638 38.460 0.244 0.000 1.264 274 Y HN 0.137 nan 8.280 nan 0.000 0.478 275 R N 0.628 121.396 120.500 0.446 0.000 2.637 275 R HA 0.708 5.049 4.340 0.001 0.000 0.291 275 R C -0.988 175.524 176.300 0.352 0.000 0.963 275 R CA -0.361 55.932 56.100 0.321 0.000 0.901 275 R CB 1.826 32.254 30.300 0.213 0.000 1.160 275 R HN 0.654 nan 8.270 nan 0.000 0.457 276 S N 2.487 118.355 115.700 0.280 0.000 2.715 276 S HA 0.742 5.213 4.470 0.001 0.000 0.307 276 S C -1.355 173.385 174.600 0.234 0.000 1.119 276 S CA -0.740 57.675 58.200 0.359 0.000 0.937 276 S CB 0.730 64.083 63.200 0.255 0.000 1.150 276 S HN 0.428 nan 8.310 nan 0.000 0.521 277 L N 1.555 122.896 121.223 0.197 0.000 2.370 277 L HA 0.632 4.973 4.340 0.001 0.000 0.266 277 L C -0.392 176.321 176.870 -0.260 0.000 1.002 277 L CA -0.655 54.032 54.840 -0.254 0.000 0.818 277 L CB 1.937 43.478 42.059 -0.863 0.000 1.325 277 L HN 0.658 nan 8.230 nan 0.000 0.418 278 E N 1.439 121.483 120.200 -0.261 0.000 2.179 278 E HA 0.506 4.857 4.350 0.001 0.000 0.275 278 E C -1.742 174.689 176.600 -0.282 0.000 0.945 278 E CA -0.606 55.691 56.400 -0.172 0.000 0.792 278 E CB 1.319 31.000 29.700 -0.031 0.000 1.125 278 E HN 0.364 nan 8.360 nan 0.000 0.397 279 F N 3.133 123.151 119.950 0.114 0.000 2.402 279 F HA 0.382 4.910 4.527 0.001 0.000 0.355 279 F C 0.476 176.277 175.800 0.001 0.000 1.123 279 F CA -0.883 57.127 58.000 0.017 0.000 1.021 279 F CB 1.392 40.334 39.000 -0.096 0.000 1.160 279 F HN 0.276 nan 8.300 nan 0.000 0.451 280 R N 3.961 124.602 120.500 0.236 0.000 2.215 280 R HA 0.280 4.621 4.340 0.001 0.000 0.336 280 R C -0.777 175.589 176.300 0.110 0.000 0.996 280 R CA -0.497 55.714 56.100 0.184 0.000 0.847 280 R CB 0.309 30.745 30.300 0.227 0.000 1.127 280 R HN 0.645 nan 8.270 nan 0.000 0.465 281 H N 3.073 122.270 119.070 0.212 0.000 2.487 281 H HA 0.292 4.849 4.556 0.001 0.000 0.333 281 H C -0.431 174.970 175.328 0.122 0.000 1.114 281 H CA -0.129 56.021 56.048 0.169 0.000 1.310 281 H CB 1.605 31.428 29.762 0.102 0.000 1.462 281 H HN 0.607 nan 8.280 nan 0.000 0.516 282 E N 0.987 121.329 120.200 0.238 0.000 2.356 282 E HA 0.293 4.644 4.350 0.001 0.000 0.275 282 E C -0.910 175.701 176.600 0.018 0.000 0.904 282 E CA -0.838 55.608 56.400 0.077 0.000 0.757 282 E CB 2.399 32.128 29.700 0.047 0.000 1.232 282 E HN 0.390 nan 8.360 nan 0.000 0.442 283 T N 1.802 116.285 114.554 -0.119 0.000 2.797 283 T HA 0.362 4.713 4.350 0.001 0.000 0.279 283 T C -0.804 173.748 174.700 -0.248 0.000 0.991 283 T CA -0.641 61.393 62.100 -0.109 0.000 0.979 283 T CB 0.522 69.343 68.868 -0.078 0.000 0.943 283 T HN 0.276 nan 8.240 nan 0.000 0.444 284 H N 1.595 120.663 119.070 -0.002 0.000 2.569 284 H HA 0.242 4.799 4.556 0.001 0.000 0.357 284 H C -0.442 174.877 175.328 -0.015 0.000 1.153 284 H CA -0.693 55.357 56.048 0.004 0.000 1.193 284 H CB 2.016 31.788 29.762 0.017 0.000 1.602 284 H HN 0.512 nan 8.280 nan 0.000 0.523 285 D N 2.230 122.695 120.400 0.107 0.000 3.085 285 D HA 0.102 4.742 4.640 0.001 0.000 0.243 285 D C -0.424 175.917 176.300 0.070 0.000 1.232 285 D CA 0.031 54.064 54.000 0.055 0.000 0.913 285 D CB -0.217 40.617 40.800 0.057 0.000 1.108 285 D HN 0.424 nan 8.370 nan 0.000 0.468 286 T N -1.347 113.250 114.554 0.072 0.000 2.907 286 T HA 0.265 4.616 4.350 0.001 0.000 0.290 286 T C 1.256 175.985 174.700 0.048 0.000 1.066 286 T CA -0.751 61.383 62.100 0.057 0.000 1.012 286 T CB 2.077 70.970 68.868 0.042 0.000 1.184 286 T HN -0.037 nan 8.240 nan 0.000 0.522 287 E N 0.157 120.384 120.200 0.045 0.000 2.072 287 E HA -0.046 4.305 4.350 0.001 0.000 0.190 287 E C 0.612 177.216 176.600 0.007 0.000 0.982 287 E CA 0.908 57.330 56.400 0.037 0.000 0.803 287 E CB 0.345 30.066 29.700 0.035 0.000 0.755 287 E HN 0.464 nan 8.360 nan 0.000 0.453 288 Q N 0.040 119.844 119.800 0.007 0.000 2.359 288 Q HA 0.230 4.570 4.340 0.001 0.000 0.274 288 Q C -0.503 175.506 176.000 0.016 0.000 1.074 288 Q CA -0.248 55.557 55.803 0.004 0.000 0.810 288 Q CB 1.900 30.636 28.738 -0.003 0.000 1.342 288 Q HN 0.071 nan 8.270 nan 0.000 0.427 289 L N 3.419 124.654 121.223 0.020 0.000 2.577 289 L HA 0.459 4.800 4.340 0.001 0.000 0.225 289 L C -0.956 175.896 176.870 -0.029 0.000 1.053 289 L CA 0.765 55.578 54.840 -0.045 0.000 0.866 289 L CB 0.901 42.877 42.059 -0.137 0.000 1.132 289 L HN 0.574 nan 8.230 nan 0.000 0.486 290 L N 0.334 121.572 121.223 0.026 0.000 2.323 290 L HA 0.468 4.809 4.340 0.001 0.000 0.265 290 L C -1.668 175.203 176.870 0.001 0.000 1.012 290 L CA -1.620 53.198 54.840 -0.036 0.000 0.820 290 L CB 1.517 43.492 42.059 -0.141 0.000 1.334 290 L HN -0.247 nan 8.230 nan 0.000 0.427 291 P HA -0.001 nan 4.420 nan 0.000 0.227 291 P C 0.265 177.461 177.300 -0.173 0.000 1.161 291 P CA 0.760 63.828 63.100 -0.053 0.000 0.788 291 P CB 0.320 31.985 31.700 -0.059 0.000 0.822 292 T N -5.104 109.219 114.554 -0.384 0.000 2.831 292 T HA 0.571 4.922 4.350 0.001 0.000 0.287 292 T C 1.474 175.678 174.700 -0.826 0.000 1.070 292 T CA -0.165 61.604 62.100 -0.552 0.000 1.010 292 T CB 0.927 69.579 68.868 -0.361 0.000 1.264 292 T HN -0.097 nan 8.240 nan 0.000 0.532 293 G N 0.025 108.479 108.800 -0.576 0.000 2.448 293 G HA2 0.260 4.221 3.960 0.001 0.000 0.219 293 G HA3 0.260 4.221 3.960 0.001 0.000 0.219 293 G C 0.288 175.060 174.900 -0.213 0.000 1.127 293 G CA 0.656 45.589 45.100 -0.279 0.000 0.766 293 G HN 0.856 nan 8.290 nan 0.000 0.552 294 T N -0.757 113.619 114.554 -0.297 0.000 2.952 294 T HA 0.507 4.858 4.350 0.001 0.000 0.305 294 T C -1.242 173.297 174.700 -0.268 0.000 1.064 294 T CA -0.456 61.508 62.100 -0.227 0.000 1.008 294 T CB 2.884 71.690 68.868 -0.104 0.000 1.078 294 T HN -0.106 nan 8.240 nan 0.000 0.459 295 V N 3.592 123.376 119.914 -0.217 0.000 2.487 295 V HA 0.493 4.614 4.120 0.001 0.000 0.298 295 V C -0.522 175.432 176.094 -0.234 0.000 1.028 295 V CA -0.990 61.151 62.300 -0.264 0.000 0.860 295 V CB 1.891 33.551 31.823 -0.272 0.000 0.991 295 V HN 0.753 nan 8.190 nan 0.000 0.427 296 N N 2.790 121.325 118.700 -0.275 0.000 2.498 296 N HA 0.461 5.201 4.740 0.001 0.000 0.287 296 N C -1.127 174.253 175.510 -0.216 0.000 1.097 296 N CA -0.246 52.745 53.050 -0.098 0.000 0.973 296 N CB 1.082 39.480 38.487 -0.147 0.000 1.153 296 N HN 0.571 nan 8.380 nan 0.000 0.472 297 Y N 1.469 121.888 120.300 0.198 0.000 2.919 297 Y HA 0.304 4.855 4.550 0.001 0.000 0.341 297 Y C -1.485 174.502 175.900 0.145 0.000 1.045 297 Y CA -1.698 56.489 58.100 0.145 0.000 1.218 297 Y CB 1.418 39.980 38.460 0.171 0.000 1.137 297 Y HN 0.540 nan 8.280 nan 0.000 0.577 298 P HA -0.152 nan 4.420 nan 0.000 0.216 298 P C 0.439 177.769 177.300 0.050 0.000 1.153 298 P CA 1.728 64.918 63.100 0.150 0.000 0.858 298 P CB 0.432 32.093 31.700 -0.064 0.000 0.789 299 N N -1.775 116.933 118.700 0.014 0.000 2.160 299 N HA 0.109 4.850 4.740 0.001 0.000 0.226 299 N C -0.411 175.062 175.510 -0.062 0.000 1.256 299 N CA 0.189 53.215 53.050 -0.041 0.000 0.890 299 N CB 1.108 39.544 38.487 -0.086 0.000 1.116 299 N HN 0.210 nan 8.380 nan 0.000 0.517 300 D N 0.131 120.519 120.400 -0.020 0.000 2.581 300 D HA 0.353 4.993 4.640 0.001 0.000 0.232 300 D C -0.474 175.683 176.300 -0.238 0.000 1.143 300 D CA -0.186 53.689 54.000 -0.208 0.000 0.881 300 D CB 1.973 42.626 40.800 -0.244 0.000 1.500 300 D HN -0.174 nan 8.370 nan 0.000 0.458 301 Y N -0.625 119.476 120.300 -0.332 0.000 2.503 301 Y HA -0.257 4.294 4.550 0.001 0.000 0.022 301 Y C 1.037 176.640 175.900 -0.496 0.000 1.698 301 Y CA 0.178 57.912 58.100 -0.610 0.000 1.422 301 Y CB -1.019 36.624 38.460 -1.362 0.000 2.067 301 Y HN 0.524 nan 8.280 nan 0.000 0.253 302 A N 0.657 123.310 122.820 -0.279 0.000 1.935 302 A HA 0.095 4.415 4.320 0.001 0.000 0.214 302 A C 0.298 177.806 177.584 -0.127 0.000 1.178 302 A CA 1.121 53.116 52.037 -0.070 0.000 0.640 302 A CB -0.607 18.501 19.000 0.180 0.000 0.825 302 A HN 0.697 nan 8.150 nan 0.000 0.447 303 Y N -0.088 120.049 120.300 -0.271 0.000 2.425 303 Y HA 0.388 4.939 4.550 0.001 0.000 0.331 303 Y C 1.449 177.222 175.900 -0.212 0.000 1.157 303 Y CA -0.214 57.559 58.100 -0.545 0.000 1.372 303 Y CB -0.372 37.559 38.460 -0.881 0.000 1.253 303 Y HN 0.088 nan 8.280 nan 0.000 0.536 304 T N 0.237 114.773 114.554 -0.030 0.000 2.904 304 T HA 0.041 4.392 4.350 0.001 0.000 0.267 304 T C 0.407 175.263 174.700 0.260 0.000 1.059 304 T CA 0.862 62.943 62.100 -0.032 0.000 1.137 304 T CB -0.183 68.500 68.868 -0.308 0.000 0.879 304 T HN 0.891 nan 8.240 nan 0.000 0.467 305 R N -0.720 119.924 120.500 0.241 0.000 2.709 305 R HA 0.593 4.934 4.340 0.001 0.000 0.270 305 R C -2.490 173.808 176.300 -0.003 0.000 1.038 305 R CA -0.981 55.266 56.100 0.244 0.000 0.872 305 R CB 1.297 31.695 30.300 0.164 0.000 1.259 305 R HN 0.028 nan 8.270 nan 0.000 0.473 306 V N 1.105 120.966 119.914 -0.088 0.000 2.604 306 V HA 0.619 4.739 4.120 0.001 0.000 0.305 306 V C -0.465 175.430 176.094 -0.333 0.000 1.043 306 V CA -0.737 61.302 62.300 -0.434 0.000 0.888 306 V CB 1.904 33.356 31.823 -0.618 0.000 0.995 306 V HN 0.843 nan 8.190 nan 0.000 0.429 307 S N 2.546 118.004 115.700 -0.403 0.000 2.542 307 S HA 0.578 5.049 4.470 0.001 0.000 0.293 307 S C -0.803 173.502 174.600 -0.491 0.000 1.089 307 S CA -0.708 57.254 58.200 -0.398 0.000 0.961 307 S CB 2.134 65.093 63.200 -0.401 0.000 1.062 307 S HN 0.858 nan 8.310 nan 0.000 0.483 308 E N 1.394 121.379 120.200 -0.359 0.000 2.165 308 E HA 0.369 4.720 4.350 0.001 0.000 0.266 308 E C -0.484 176.007 176.600 -0.180 0.000 0.889 308 E CA -0.472 55.807 56.400 -0.202 0.000 0.756 308 E CB 0.558 30.289 29.700 0.052 0.000 1.131 308 E HN 0.582 nan 8.360 nan 0.000 0.411 309 F N 3.308 123.225 119.950 -0.054 0.000 2.259 309 F HA -0.036 4.491 4.527 0.001 0.000 0.298 309 F C 1.960 177.689 175.800 -0.119 0.000 1.088 309 F CA 0.723 58.639 58.000 -0.140 0.000 1.358 309 F CB 0.080 38.938 39.000 -0.237 0.000 1.040 309 F HN 0.441 nan 8.300 nan 0.000 0.505 310 K N -0.525 119.912 120.400 0.062 0.000 2.152 310 K HA -0.192 4.129 4.320 0.001 0.000 0.206 310 K C 1.780 178.330 176.600 -0.083 0.000 1.048 310 K CA 1.270 57.540 56.287 -0.028 0.000 0.933 310 K CB -0.416 32.045 32.500 -0.064 0.000 0.721 310 K HN 0.376 nan 8.250 nan 0.000 0.447 311 H N 0.292 119.332 119.070 -0.051 0.000 2.387 311 H HA -0.074 4.483 4.556 0.001 0.000 0.299 311 H C 2.073 177.243 175.328 -0.264 0.000 1.099 311 H CA 1.382 57.399 56.048 -0.052 0.000 1.315 311 H CB 0.071 29.840 29.762 0.012 0.000 1.380 311 H HN 0.197 nan 8.280 nan 0.000 0.513 312 I N 0.221 120.678 120.570 -0.189 0.000 2.703 312 I HA -0.134 4.037 4.170 0.001 0.000 0.259 312 I C 2.435 178.317 176.117 -0.391 0.000 1.151 312 I CA 1.233 62.222 61.300 -0.518 0.000 1.470 312 I CB 0.105 38.041 38.000 -0.106 0.000 1.112 312 I HN 0.243 nan 8.210 nan 0.000 0.437 313 T N -2.708 111.752 114.554 -0.156 0.000 3.037 313 T HA 0.221 4.572 4.350 0.001 0.000 0.252 313 T C 1.655 176.319 174.700 -0.060 0.000 1.073 313 T CA 0.581 62.634 62.100 -0.078 0.000 1.091 313 T CB 0.472 69.314 68.868 -0.044 0.000 0.935 313 T HN 0.426 nan 8.240 nan 0.000 0.488 314 G N 1.243 110.002 108.800 -0.069 0.000 2.148 314 G HA2 -0.286 3.675 3.960 0.001 0.000 0.254 314 G HA3 -0.286 3.675 3.960 0.001 0.000 0.254 314 G C -0.149 174.755 174.900 0.007 0.000 0.981 314 G CA 0.282 45.370 45.100 -0.021 0.000 0.670 314 G HN 0.886 nan 8.290 nan 0.000 0.528 315 Q N -0.018 119.788 119.800 0.010 0.000 2.352 315 Q HA 0.412 4.753 4.340 0.001 0.000 0.260 315 Q C 0.550 176.590 176.000 0.067 0.000 0.976 315 Q CA -0.457 55.380 55.803 0.056 0.000 0.881 315 Q CB 0.413 29.193 28.738 0.069 0.000 1.235 315 Q HN 0.484 nan 8.270 nan 0.000 0.419 316 R N 3.406 123.962 120.500 0.094 0.000 2.338 316 R HA 0.293 4.634 4.340 0.001 0.000 0.317 316 R C -1.481 174.914 176.300 0.159 0.000 0.968 316 R CA -0.347 55.810 56.100 0.095 0.000 0.849 316 R CB 0.838 31.174 30.300 0.060 0.000 1.128 316 R HN 0.714 nan 8.270 nan 0.000 0.448 317 H N 2.334 121.434 119.070 0.049 0.000 3.064 317 H HA 0.052 4.609 4.556 0.001 0.000 0.352 317 H C -0.080 175.303 175.328 0.091 0.000 1.260 317 H CA -0.318 55.777 56.048 0.078 0.000 1.160 317 H CB 1.377 31.163 29.762 0.039 0.000 1.879 317 H HN 0.945 nan 8.280 nan 0.000 0.544 318 H N 0.764 119.845 119.070 0.018 0.000 2.495 318 H HA 0.175 4.732 4.556 0.001 0.000 0.287 318 H C -0.031 175.418 175.328 0.202 0.000 1.033 318 H CA 0.368 56.464 56.048 0.080 0.000 1.307 318 H CB 0.817 30.575 29.762 -0.006 0.000 1.401 318 H HN 0.349 nan 8.280 nan 0.000 0.555 319 Q N 0.078 119.895 119.800 0.028 0.000 2.699 319 Q HA 0.479 4.820 4.340 0.001 0.000 0.240 319 Q C -0.803 175.173 176.000 -0.040 0.000 1.033 319 Q CA -1.011 54.758 55.803 -0.057 0.000 0.938 319 Q CB 2.196 30.815 28.738 -0.199 0.000 1.312 319 Q HN 0.228 nan 8.270 nan 0.000 0.507 320 T N -0.231 114.283 114.554 -0.067 0.000 2.982 320 T HA 0.419 4.770 4.350 0.001 0.000 0.321 320 T C -1.637 173.069 174.700 0.009 0.000 1.229 320 T CA -0.477 61.595 62.100 -0.047 0.000 1.044 320 T CB 1.382 70.258 68.868 0.014 0.000 1.184 320 T HN 0.433 nan 8.240 nan 0.000 0.477 321 S N 2.525 118.239 115.700 0.023 0.000 2.478 321 S HA 0.711 5.181 4.470 0.001 0.000 0.312 321 S C 0.234 174.960 174.600 0.211 0.000 1.094 321 S CA -0.695 57.573 58.200 0.113 0.000 1.081 321 S CB 1.254 64.491 63.200 0.061 0.000 1.007 321 S HN 0.816 nan 8.310 nan 0.000 0.475 322 V N 1.127 121.152 119.914 0.185 0.000 3.345 322 V HA 0.966 5.087 4.120 0.001 0.000 0.308 322 V C -0.299 175.849 176.094 0.090 0.000 1.168 322 V CA -0.781 61.537 62.300 0.029 0.000 1.024 322 V CB 1.597 33.371 31.823 -0.081 0.000 1.211 322 V HN 0.619 nan 8.190 nan 0.000 0.461 323 V N 0.560 120.375 119.914 -0.164 0.000 2.789 323 V HA 0.534 4.654 4.120 0.001 0.000 0.300 323 V C -1.896 174.011 176.094 -0.312 0.000 1.184 323 V CA -0.391 61.834 62.300 -0.125 0.000 0.930 323 V CB 1.821 33.619 31.823 -0.040 0.000 1.041 323 V HN 0.857 nan 8.190 nan 0.000 0.430 324 Y N 4.005 124.204 120.300 -0.169 0.000 2.320 324 Y HA 0.559 5.110 4.550 0.001 0.000 0.334 324 Y C 0.721 176.516 175.900 -0.175 0.000 1.055 324 Y CA -0.252 57.652 58.100 -0.327 0.000 1.143 324 Y CB 1.517 39.654 38.460 -0.539 0.000 1.193 324 Y HN 0.569 nan 8.280 nan 0.000 0.477 325 E N 3.647 123.779 120.200 -0.113 0.000 2.081 325 E HA 0.228 4.579 4.350 0.001 0.000 0.276 325 E C -1.517 174.964 176.600 -0.198 0.000 0.950 325 E CA -0.631 55.706 56.400 -0.104 0.000 0.776 325 E CB 0.844 30.518 29.700 -0.043 0.000 1.094 325 E HN 0.499 nan 8.360 nan 0.000 0.402 326 Y N 2.787 123.043 120.300 -0.073 0.000 2.342 326 Y HA 0.298 4.848 4.550 0.001 0.000 0.334 326 Y C -2.106 173.727 175.900 -0.110 0.000 1.067 326 Y CA -2.919 55.157 58.100 -0.040 0.000 1.128 326 Y CB 0.680 39.135 38.460 -0.008 0.000 1.200 326 Y HN 0.402 nan 8.280 nan 0.000 0.464 327 P HA 0.342 nan 4.420 nan 0.000 0.278 327 P C -0.739 176.591 177.300 0.050 0.000 1.238 327 P CA -0.477 62.627 63.100 0.006 0.000 0.794 327 P CB 0.876 32.547 31.700 -0.049 0.000 0.955 328 R N 1.345 121.881 120.500 0.060 0.000 2.584 328 R HA 0.458 4.799 4.340 0.001 0.000 0.276 328 R C 0.575 176.937 176.300 0.103 0.000 1.046 328 R CA -0.816 55.329 56.100 0.075 0.000 0.906 328 R CB 1.805 32.148 30.300 0.072 0.000 1.215 328 R HN 0.426 nan 8.270 nan 0.000 0.449 329 A N 1.414 124.292 122.820 0.096 0.000 1.972 329 A HA -0.109 4.212 4.320 0.001 0.000 0.219 329 A C 0.369 178.027 177.584 0.123 0.000 1.169 329 A CA 1.501 53.608 52.037 0.115 0.000 0.635 329 A CB 0.045 19.102 19.000 0.096 0.000 0.810 329 A HN 0.555 nan 8.150 nan 0.000 0.446 330 E N -2.240 118.021 120.200 0.101 0.000 2.248 330 E HA 0.576 4.927 4.350 0.001 0.000 0.267 330 E C -0.017 176.637 176.600 0.090 0.000 0.877 330 E CA 0.619 57.073 56.400 0.090 0.000 0.759 330 E CB 1.832 31.571 29.700 0.065 0.000 1.182 330 E HN 0.668 nan 8.360 nan 0.000 0.418 331 G N 2.398 111.246 108.800 0.080 0.000 2.362 331 G HA2 0.018 3.979 3.960 0.001 0.000 0.288 331 G HA3 0.018 3.979 3.960 0.001 0.000 0.288 331 G C -1.357 173.548 174.900 0.008 0.000 1.305 331 G CA -1.048 44.095 45.100 0.072 0.000 0.910 331 G HN 0.470 nan 8.290 nan 0.000 0.518 332 D N 2.123 122.496 120.400 -0.045 0.000 2.601 332 D HA 0.280 4.921 4.640 0.001 0.000 0.229 332 D C -1.696 174.323 176.300 -0.468 0.000 1.140 332 D CA 0.357 54.197 54.000 -0.266 0.000 0.862 332 D CB 0.747 41.340 40.800 -0.344 0.000 1.192 332 D HN 0.249 nan 8.370 nan 0.000 0.480 333 P HA 0.051 nan 4.420 nan 0.000 0.276 333 P C -0.503 176.472 177.300 -0.543 0.000 1.264 333 P CA 0.241 62.989 63.100 -0.586 0.000 0.769 333 P CB 0.309 31.395 31.700 -1.023 0.000 0.840 334 Y N 2.102 122.433 120.300 0.051 0.000 2.583 334 Y HA 0.190 4.741 4.550 0.001 0.000 0.270 334 Y C 0.761 176.728 175.900 0.111 0.000 1.113 334 Y CA 0.170 58.254 58.100 -0.026 0.000 1.307 334 Y CB -0.033 38.276 38.460 -0.252 0.000 1.369 334 Y HN 0.157 nan 8.280 nan 0.000 0.506 335 Y N 2.086 122.706 120.300 0.533 0.000 2.353 335 Y HA 0.365 4.916 4.550 0.001 0.000 0.340 335 Y C -2.525 173.497 175.900 0.203 0.000 0.972 335 Y CA -3.163 55.142 58.100 0.342 0.000 1.157 335 Y CB 0.647 39.048 38.460 -0.098 0.000 1.157 335 Y HN -0.131 nan 8.280 nan 0.000 0.495 336 P HA 0.012 nan 4.420 nan 0.000 0.271 336 P C -0.662 176.587 177.300 -0.084 0.000 1.226 336 P CA -0.111 62.603 63.100 -0.643 0.000 0.765 336 P CB 0.692 31.812 31.700 -0.966 0.000 0.835 337 V N 6.964 126.884 119.914 0.009 0.000 2.387 337 V HA 0.141 4.262 4.120 0.001 0.000 0.260 337 V C -1.893 174.184 176.094 -0.029 0.000 1.054 337 V CA -1.383 61.020 62.300 0.172 0.000 0.967 337 V CB 0.353 32.324 31.823 0.247 0.000 1.036 337 V HN 0.478 nan 8.190 nan 0.000 0.481 338 P HA 0.340 nan 4.420 nan 0.000 0.260 338 P C -0.332 176.902 177.300 -0.110 0.000 1.651 338 P CA 0.064 63.072 63.100 -0.154 0.000 1.139 338 P CB 0.082 31.648 31.700 -0.223 0.000 1.756 339 R N 3.412 123.904 120.500 -0.014 0.000 2.744 339 R HA 0.369 4.710 4.340 0.001 0.000 0.279 339 R C -2.006 174.319 176.300 0.042 0.000 0.977 339 R CA -2.144 53.956 56.100 0.000 0.000 0.906 339 R CB 0.943 31.253 30.300 0.017 0.000 1.197 339 R HN 0.009 nan 8.270 nan 0.000 0.463 340 P HA -0.271 nan 4.420 nan 0.000 0.216 340 P C 0.337 177.671 177.300 0.057 0.000 1.157 340 P CA 1.580 64.703 63.100 0.038 0.000 0.880 340 P CB 0.267 31.978 31.700 0.018 0.000 0.791 341 E N -0.778 119.455 120.200 0.055 0.000 2.070 341 E HA -0.224 4.127 4.350 0.001 0.000 0.197 341 E C 1.773 178.427 176.600 0.090 0.000 1.004 341 E CA 1.325 57.761 56.400 0.061 0.000 0.805 341 E CB -0.789 28.948 29.700 0.062 0.000 0.744 341 E HN 0.317 nan 8.360 nan 0.000 0.451 342 N N 0.661 119.437 118.700 0.127 0.000 2.270 342 N HA -0.044 4.697 4.740 0.001 0.000 0.181 342 N C 1.720 177.371 175.510 0.235 0.000 1.016 342 N CA 1.222 54.384 53.050 0.187 0.000 0.870 342 N CB -0.315 38.333 38.487 0.268 0.000 0.979 342 N HN 0.209 nan 8.380 nan 0.000 0.431 343 A N 1.054 124.003 122.820 0.215 0.000 1.972 343 A HA -0.160 4.161 4.320 0.001 0.000 0.219 343 A C 2.210 179.914 177.584 0.200 0.000 1.169 343 A CA 1.658 53.840 52.037 0.242 0.000 0.635 343 A CB -0.393 18.703 19.000 0.160 0.000 0.810 343 A HN 0.296 nan 8.150 nan 0.000 0.446 344 E N 0.219 120.488 120.200 0.115 0.000 2.047 344 E HA -0.119 4.232 4.350 0.001 0.000 0.191 344 E C 1.853 178.463 176.600 0.015 0.000 0.987 344 E CA 1.108 57.536 56.400 0.046 0.000 0.799 344 E CB -0.487 29.223 29.700 0.017 0.000 0.752 344 E HN 0.479 nan 8.360 nan 0.000 0.449 345 L N -0.087 121.168 121.223 0.053 0.000 2.042 345 L HA -0.210 4.130 4.340 0.001 0.000 0.210 345 L C 2.327 179.263 176.870 0.111 0.000 1.076 345 L CA 2.001 56.870 54.840 0.049 0.000 0.749 345 L CB -0.461 41.671 42.059 0.122 0.000 0.893 345 L HN 0.347 nan 8.230 nan 0.000 0.432 346 Y N 0.957 121.293 120.300 0.059 0.000 2.224 346 Y HA -0.311 4.240 4.550 0.001 0.000 0.289 346 Y C 2.641 178.600 175.900 0.098 0.000 1.146 346 Y CA 2.084 60.249 58.100 0.108 0.000 1.182 346 Y CB -0.261 38.252 38.460 0.089 0.000 0.983 346 Y HN 0.095 nan 8.280 nan 0.000 0.524 347 K N 0.598 120.931 120.400 -0.111 0.000 2.113 347 K HA -0.226 4.095 4.320 0.001 0.000 0.208 347 K C 1.990 178.425 176.600 -0.275 0.000 1.047 347 K CA 1.911 58.073 56.287 -0.209 0.000 0.928 347 K CB -0.081 32.370 32.500 -0.082 0.000 0.716 347 K HN 0.334 nan 8.250 nan 0.000 0.446 348 K N -0.522 119.703 120.400 -0.291 0.000 2.026 348 K HA -0.180 4.141 4.320 0.001 0.000 0.208 348 K C 2.184 178.639 176.600 -0.242 0.000 1.048 348 K CA 1.904 57.936 56.287 -0.424 0.000 0.929 348 K CB -0.362 31.611 32.500 -0.878 0.000 0.713 348 K HN 0.251 nan 8.250 nan 0.000 0.439 349 Y N 1.479 121.731 120.300 -0.079 0.000 2.181 349 Y HA -0.198 4.352 4.550 0.001 0.000 0.288 349 Y C 2.581 178.284 175.900 -0.330 0.000 1.146 349 Y CA 1.178 59.209 58.100 -0.116 0.000 1.164 349 Y CB -0.078 38.396 38.460 0.024 0.000 0.982 349 Y HN 0.212 nan 8.280 nan 0.000 0.515 350 E N 0.239 120.186 120.200 -0.423 0.000 2.118 350 E HA -0.278 4.072 4.350 0.001 0.000 0.195 350 E C 2.295 178.736 176.600 -0.265 0.000 0.992 350 E CA 0.991 57.107 56.400 -0.472 0.000 0.804 350 E CB -0.162 29.137 29.700 -0.668 0.000 0.741 350 E HN 0.473 nan 8.360 nan 0.000 0.458 351 A N 0.850 123.529 122.820 -0.234 0.000 1.877 351 A HA -0.162 4.159 4.320 0.001 0.000 0.216 351 A C 2.178 179.658 177.584 -0.173 0.000 1.186 351 A CA 1.154 53.090 52.037 -0.169 0.000 0.620 351 A CB -0.659 18.247 19.000 -0.157 0.000 0.822 351 A HN 0.275 nan 8.150 nan 0.000 0.443 352 L N -0.812 120.244 121.223 -0.278 0.000 2.046 352 L HA -0.201 4.140 4.340 0.001 0.000 0.208 352 L C 3.104 179.842 176.870 -0.220 0.000 1.077 352 L CA 1.101 55.677 54.840 -0.440 0.000 0.747 352 L CB -0.620 40.734 42.059 -1.175 0.000 0.896 352 L HN 0.453 nan 8.230 nan 0.000 0.432 353 A N -0.283 122.418 122.820 -0.198 0.000 1.902 353 A HA -0.216 4.105 4.320 0.001 0.000 0.217 353 A C 1.938 179.505 177.584 -0.029 0.000 1.181 353 A CA 1.837 53.736 52.037 -0.229 0.000 0.623 353 A CB -0.458 17.967 19.000 -0.958 0.000 0.818 353 A HN 0.373 nan 8.150 nan 0.000 0.443 354 D N -0.125 120.246 120.400 -0.049 0.000 2.269 354 D HA 0.040 4.681 4.640 0.001 0.000 0.208 354 D C 2.089 178.426 176.300 0.063 0.000 0.963 354 D CA 1.124 55.145 54.000 0.034 0.000 0.864 354 D CB -0.101 40.704 40.800 0.007 0.000 0.936 354 D HN 0.459 nan 8.370 nan 0.000 0.505 355 A N 1.362 124.207 122.820 0.042 0.000 1.897 355 A HA 0.192 4.513 4.320 0.001 0.000 0.215 355 A C 1.492 179.151 177.584 0.124 0.000 1.181 355 A CA 0.756 52.829 52.037 0.060 0.000 0.620 355 A CB -0.497 18.513 19.000 0.017 0.000 0.821 355 A HN 0.196 nan 8.150 nan 0.000 0.443 356 A N 0.602 123.546 122.820 0.207 0.000 2.598 356 A HA 0.175 4.496 4.320 0.001 0.000 0.239 356 A C 1.166 178.857 177.584 0.178 0.000 1.032 356 A CA 0.228 52.427 52.037 0.270 0.000 0.760 356 A CB 0.117 19.371 19.000 0.423 0.000 0.946 356 A HN 0.552 nan 8.150 nan 0.000 0.512 357 Q N 2.360 122.240 119.800 0.133 0.000 1.723 357 Q HA -0.147 4.194 4.340 0.001 0.000 0.363 357 Q C -0.004 176.025 176.000 0.048 0.000 0.987 357 Q CA 1.928 57.781 55.803 0.083 0.000 0.896 357 Q CB -0.514 28.260 28.738 0.060 0.000 0.941 357 Q HN 0.899 nan 8.270 nan 0.000 0.410 358 D N 0.525 120.894 120.400 -0.052 0.000 3.168 358 D HA 0.235 4.876 4.640 0.001 0.000 0.255 358 D C -1.123 174.747 176.300 -0.717 0.000 1.314 358 D CA 0.003 53.805 54.000 -0.331 0.000 0.900 358 D CB 0.430 41.089 40.800 -0.234 0.000 1.072 358 D HN -0.118 nan 8.370 nan 0.000 0.487 359 V N 0.828 120.549 119.914 -0.322 0.000 2.443 359 V HA 0.325 4.446 4.120 0.001 0.000 0.293 359 V C 0.268 176.303 176.094 -0.098 0.000 1.021 359 V CA -0.800 61.309 62.300 -0.318 0.000 0.848 359 V CB 1.890 33.492 31.823 -0.369 0.000 0.998 359 V HN 0.109 nan 8.190 nan 0.000 0.424 360 T N 5.683 120.253 114.554 0.027 0.000 2.744 360 T HA 0.582 4.932 4.350 0.001 0.000 0.291 360 T C -0.459 174.194 174.700 -0.078 0.000 0.957 360 T CA 0.039 62.221 62.100 0.135 0.000 1.002 360 T CB 0.249 69.258 68.868 0.235 0.000 0.919 360 T HN 0.294 nan 8.240 nan 0.000 0.468 361 F N 2.897 122.887 119.950 0.066 0.000 2.411 361 F HA 0.609 5.137 4.527 0.001 0.000 0.355 361 F C 0.368 176.219 175.800 0.084 0.000 1.117 361 F CA -0.621 57.426 58.000 0.078 0.000 1.139 361 F CB 1.084 40.144 39.000 0.100 0.000 1.120 361 F HN 0.226 nan 8.300 nan 0.000 0.493 362 V N 2.713 122.728 119.914 0.169 0.000 3.048 362 V HA 0.918 5.039 4.120 0.001 0.000 0.303 362 V C -0.415 175.724 176.094 0.074 0.000 1.214 362 V CA 0.223 62.592 62.300 0.115 0.000 0.984 362 V CB 1.604 33.458 31.823 0.051 0.000 1.054 362 V HN 1.139 nan 8.190 nan 0.000 0.430 363 G N 5.237 114.092 108.800 0.092 0.000 2.479 363 G HA2 -0.044 3.916 3.960 0.001 0.000 0.686 363 G HA3 -0.044 3.916 3.960 0.001 0.000 0.686 363 G C 0.124 175.170 174.900 0.242 0.000 1.295 363 G CA 0.247 45.414 45.100 0.111 0.000 0.922 363 G HN 1.591 nan 8.290 nan 0.000 0.582 364 R N -0.289 120.357 120.500 0.243 0.000 2.073 364 R HA 0.078 4.419 4.340 0.001 0.000 0.234 364 R C 2.299 178.725 176.300 0.209 0.000 1.134 364 R CA 1.899 58.148 56.100 0.248 0.000 0.952 364 R CB -0.425 29.956 30.300 0.135 0.000 0.850 364 R HN 0.473 nan 8.270 nan 0.000 0.433 365 L N 0.823 122.136 121.223 0.149 0.000 2.156 365 L HA 0.039 4.380 4.340 0.001 0.000 0.208 365 L C 2.826 179.839 176.870 0.239 0.000 1.095 365 L CA 1.012 55.952 54.840 0.166 0.000 0.770 365 L CB -0.478 41.583 42.059 0.003 0.000 0.914 365 L HN 0.375 nan 8.230 nan 0.000 0.439 366 A N -0.211 122.740 122.820 0.218 0.000 2.066 366 A HA -0.112 4.208 4.320 0.001 0.000 0.218 366 A C 2.051 179.880 177.584 0.408 0.000 1.157 366 A CA 1.834 54.083 52.037 0.354 0.000 0.670 366 A CB -0.503 18.692 19.000 0.324 0.000 0.804 366 A HN 0.490 nan 8.150 nan 0.000 0.453 367 T N -7.734 107.022 114.554 0.337 0.000 3.091 367 T HA 0.204 4.555 4.350 0.001 0.000 0.277 367 T C 0.298 174.964 174.700 -0.056 0.000 0.996 367 T CA 0.243 62.520 62.100 0.295 0.000 0.897 367 T CB -0.305 68.783 68.868 0.366 0.000 1.109 367 T HN 0.713 nan 8.240 nan 0.000 0.534 368 Y N 1.759 121.982 120.300 -0.128 0.000 3.305 368 Y HA -0.239 4.312 4.550 0.001 0.000 0.212 368 Y C -0.135 175.601 175.900 -0.273 0.000 1.248 368 Y CA -0.000 57.959 58.100 -0.234 0.000 1.359 368 Y CB -1.824 36.318 38.460 -0.529 0.000 1.407 368 Y HN 0.414 nan 8.280 nan 0.000 0.572 369 R N 0.297 120.623 120.500 -0.290 0.000 2.807 369 R HA 0.500 4.841 4.340 0.001 0.000 0.276 369 R C -1.420 174.623 176.300 -0.429 0.000 0.979 369 R CA -0.854 54.952 56.100 -0.490 0.000 0.928 369 R CB 0.945 30.742 30.300 -0.838 0.000 1.191 369 R HN 0.182 nan 8.270 nan 0.000 0.471 370 Y N 2.581 122.654 120.300 -0.378 0.000 2.436 370 Y HA 0.286 4.837 4.550 0.001 0.000 0.343 370 Y C -1.289 174.440 175.900 -0.284 0.000 1.008 370 Y CA 0.080 58.085 58.100 -0.158 0.000 1.241 370 Y CB 0.298 38.800 38.460 0.071 0.000 1.153 370 Y HN 0.437 nan 8.280 nan 0.000 0.521 371 Y N 3.839 124.022 120.300 -0.195 0.000 2.429 371 Y HA 0.334 4.884 4.550 0.002 0.000 0.342 371 Y C 0.217 175.981 175.900 -0.228 0.000 1.004 371 Y CA -1.433 56.616 58.100 -0.086 0.000 1.075 371 Y CB 0.919 39.351 38.460 -0.047 0.000 1.214 371 Y HN 0.576 nan 8.280 nan 0.000 0.455 372 N N 1.926 120.717 118.700 0.152 0.000 2.444 372 N HA 0.120 4.861 4.740 0.001 0.000 0.255 372 N C 1.129 176.616 175.510 -0.039 0.000 1.255 372 N CA 0.032 53.117 53.050 0.058 0.000 0.933 372 N CB 0.570 39.041 38.487 -0.027 0.000 1.143 372 N HN 0.779 nan 8.380 nan 0.000 0.453 373 M N 0.331 119.897 119.600 -0.057 0.000 2.089 373 M HA -0.249 4.232 4.480 0.001 0.000 0.257 373 M C 1.378 177.502 176.300 -0.293 0.000 1.071 373 M CA 1.708 56.876 55.300 -0.221 0.000 1.096 373 M CB -0.361 32.184 32.600 -0.091 0.000 1.330 373 M HN 0.583 nan 8.290 nan 0.000 0.403 374 D N -0.114 120.190 120.400 -0.160 0.000 2.144 374 D HA -0.194 4.446 4.640 0.001 0.000 0.200 374 D C 1.684 177.928 176.300 -0.094 0.000 0.978 374 D CA 1.381 55.341 54.000 -0.066 0.000 0.833 374 D CB -0.691 39.998 40.800 -0.185 0.000 0.961 374 D HN 0.529 nan 8.370 nan 0.000 0.470 375 Q N 0.498 120.234 119.800 -0.106 0.000 2.050 375 Q HA -0.075 4.265 4.340 0.001 0.000 0.202 375 Q C 2.720 178.618 176.000 -0.170 0.000 0.980 375 Q CA 1.260 57.010 55.803 -0.089 0.000 0.840 375 Q CB -0.175 28.574 28.738 0.018 0.000 0.898 375 Q HN 0.201 nan 8.270 nan 0.000 0.424 376 V N 0.834 120.653 119.914 -0.158 0.000 2.287 376 V HA -0.250 3.871 4.120 0.001 0.000 0.248 376 V C 2.371 178.405 176.094 -0.100 0.000 1.053 376 V CA 1.567 63.774 62.300 -0.156 0.000 1.027 376 V CB -0.565 31.241 31.823 -0.030 0.000 0.646 376 V HN 0.189 nan 8.190 nan 0.000 0.447 377 V N 0.301 120.154 119.914 -0.101 0.000 2.324 377 V HA -0.313 3.808 4.120 0.001 0.000 0.250 377 V C 2.640 178.705 176.094 -0.048 0.000 1.060 377 V CA 2.234 64.520 62.300 -0.023 0.000 1.042 377 V CB -1.157 30.675 31.823 0.015 0.000 0.650 377 V HN 0.587 nan 8.190 nan 0.000 0.450 378 A N -1.021 121.761 122.820 -0.064 0.000 1.929 378 A HA -0.212 4.109 4.320 0.001 0.000 0.216 378 A C 2.175 179.711 177.584 -0.081 0.000 1.176 378 A CA 1.475 53.473 52.037 -0.066 0.000 0.628 378 A CB -0.394 18.577 19.000 -0.049 0.000 0.816 378 A HN 0.612 nan 8.150 nan 0.000 0.444 379 Q N -0.321 119.407 119.800 -0.119 0.000 2.096 379 Q HA -0.156 4.185 4.340 0.001 0.000 0.204 379 Q C 2.425 178.384 176.000 -0.067 0.000 0.982 379 Q CA 1.517 57.247 55.803 -0.120 0.000 0.850 379 Q CB -0.443 28.162 28.738 -0.222 0.000 0.901 379 Q HN 0.675 nan 8.270 nan 0.000 0.422 380 A N 1.034 123.817 122.820 -0.062 0.000 1.883 380 A HA -0.182 4.139 4.320 0.001 0.000 0.217 380 A C 2.109 179.676 177.584 -0.030 0.000 1.186 380 A CA 1.269 53.284 52.037 -0.037 0.000 0.624 380 A CB -0.784 18.199 19.000 -0.029 0.000 0.822 380 A HN 0.295 nan 8.150 nan 0.000 0.444 381 L N -0.856 120.322 121.223 -0.075 0.000 2.083 381 L HA -0.212 4.128 4.340 0.001 0.000 0.209 381 L C 3.076 179.964 176.870 0.030 0.000 1.083 381 L CA 1.117 55.919 54.840 -0.063 0.000 0.752 381 L CB -0.522 41.442 42.059 -0.158 0.000 0.899 381 L HN 0.454 nan 8.230 nan 0.000 0.433 382 A N -0.569 122.248 122.820 -0.005 0.000 1.898 382 A HA -0.164 4.157 4.320 0.001 0.000 0.216 382 A C 2.367 179.956 177.584 0.007 0.000 1.181 382 A CA 2.103 54.138 52.037 -0.003 0.000 0.620 382 A CB -0.854 18.136 19.000 -0.016 0.000 0.819 382 A HN 0.362 nan 8.150 nan 0.000 0.442 383 T N -0.427 114.138 114.554 0.019 0.000 2.684 383 T HA -0.170 4.181 4.350 0.001 0.000 0.267 383 T C 1.615 176.339 174.700 0.041 0.000 1.036 383 T CA 1.655 63.772 62.100 0.029 0.000 1.148 383 T CB -0.453 68.434 68.868 0.032 0.000 0.863 383 T HN 0.478 nan 8.240 nan 0.000 0.436 384 F N 2.230 122.125 119.950 -0.092 0.000 2.154 384 F HA -0.114 4.414 4.527 0.001 0.000 0.301 384 F C 2.348 178.103 175.800 -0.075 0.000 1.087 384 F CA 1.229 59.165 58.000 -0.108 0.000 1.274 384 F CB -0.296 38.629 39.000 -0.124 0.000 1.009 384 F HN -0.044 nan 8.300 nan 0.000 0.485 385 R N -0.221 120.161 120.500 -0.197 0.000 2.115 385 R HA -0.097 4.244 4.340 0.001 0.000 0.230 385 R C 2.456 178.624 176.300 -0.220 0.000 1.111 385 R CA 1.269 57.204 56.100 -0.276 0.000 0.976 385 R CB -0.173 30.058 30.300 -0.115 0.000 0.870 385 R HN 0.312 nan 8.270 nan 0.000 0.445 386 R N 0.112 120.533 120.500 -0.131 0.000 2.064 386 R HA -0.082 4.259 4.340 0.001 0.000 0.228 386 R C 1.953 178.189 176.300 -0.106 0.000 1.144 386 R CA 1.055 57.103 56.100 -0.086 0.000 0.932 386 R CB -0.473 29.809 30.300 -0.030 0.000 0.833 386 R HN 0.052 nan 8.270 nan 0.000 0.429 387 L N 1.540 122.698 121.223 -0.109 0.000 2.563 387 L HA -0.198 4.142 4.340 0.001 0.000 0.230 387 L C 2.241 179.030 176.870 -0.135 0.000 1.162 387 L CA 1.516 56.299 54.840 -0.095 0.000 0.812 387 L CB -0.726 41.292 42.059 -0.070 0.000 0.935 387 L HN 0.174 nan 8.230 nan 0.000 0.451 388 Q N -0.778 118.873 119.800 -0.248 0.000 2.134 388 Q HA 0.207 4.548 4.340 0.001 0.000 0.195 388 Q C 1.091 177.002 176.000 -0.148 0.000 0.958 388 Q CA 1.145 56.775 55.803 -0.288 0.000 0.840 388 Q CB -0.019 28.403 28.738 -0.526 0.000 0.918 388 Q HN 0.390 nan 8.270 nan 0.000 0.467 389 G N -0.890 107.840 108.800 -0.118 0.000 2.788 389 G HA2 0.707 4.667 3.960 0.001 0.000 0.293 389 G HA3 0.707 4.667 3.960 0.001 0.000 0.293 389 G C -1.081 173.753 174.900 -0.109 0.000 1.305 389 G CA -0.461 44.558 45.100 -0.134 0.000 1.005 389 G HN 0.098 nan 8.290 nan 0.000 0.496 390 Q N 0.000 119.742 119.800 -0.096 0.000 2.315 390 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 390 Q CA 0.000 55.762 55.803 -0.068 0.000 1.022 390 Q CB 0.000 28.693 28.738 -0.075 0.000 1.108 390 Q HN 0.000 nan 8.270 nan 0.000 0.481