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 1gfq_1_A DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK VDLYGKAVGL HYFSKGNGEN SYGGNGDMTY ARLGFKGETQ DATA SEQUENCE INSDLTGYGQ WEYNFQGNNS EGADAQTGNK TCLAFAGLKY ADVGSFDYGR DATA SEQUENCE NYGVVYDALG YTDMLPEFGG DTAYSDDFFV GRVGGVATYR NSNFFGLVDG DATA SEQUENCE LNFAVQYLGK NERDTARRSN GDGVGGSISY EYEGFGIVGA YGAADRTNLQ DATA SEQUENCE EAQPLGNGKK AEQWATGLKY DANNIYLAAN YGETRNATPI TNKFTNTSGF DATA SEQUENCE ANKTQDVLLV AQYQFDFGLR PSIAYTKSKA KDVEGIGDVD LVNYFEVGAT DATA SEQUENCE YYFNKNMSTY VDYIINQIDS DNKLGVGSDD TVAVGIVYQF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.707 177.584 0.205 0.000 1.274 1 A CA 0.000 52.175 52.037 0.230 0.000 0.836 1 A CB 0.000 19.209 19.000 0.348 0.000 0.831 2 E N 2.639 122.928 120.200 0.149 0.000 1.985 2 E HA 0.263 4.613 4.350 -0.000 0.000 0.268 2 E C 0.829 177.517 176.600 0.146 0.000 1.219 2 E CA 0.086 56.569 56.400 0.140 0.000 0.942 2 E CB -0.120 29.637 29.700 0.095 0.000 1.045 2 E HN 0.647 nan 8.360 nan 0.000 0.413 3 I N 2.236 122.915 120.570 0.183 0.000 3.728 3 I HA 0.223 4.393 4.170 -0.000 0.000 0.307 3 I C -0.275 175.977 176.117 0.225 0.000 1.276 3 I CA -0.198 61.211 61.300 0.181 0.000 1.285 3 I CB 0.102 38.213 38.000 0.186 0.000 1.038 3 I HN 0.345 nan 8.210 nan 0.000 0.445 4 Y N 1.726 122.062 120.300 0.061 0.000 2.513 4 Y HA 0.567 5.117 4.550 -0.000 0.000 0.340 4 Y C -1.533 174.393 175.900 0.042 0.000 1.055 4 Y CA -1.285 56.840 58.100 0.042 0.000 1.020 4 Y CB 1.555 40.032 38.460 0.028 0.000 1.301 4 Y HN 0.094 nan 8.280 nan 0.000 0.453 5 N N 4.523 122.874 118.700 -0.581 0.000 3.151 5 N HA 0.238 4.978 4.740 -0.000 0.000 0.219 5 N C -2.326 172.923 175.510 -0.436 0.000 1.434 5 N CA -0.397 52.450 53.050 -0.338 0.000 0.767 5 N CB 0.464 38.875 38.487 -0.126 0.000 1.564 5 N HN 0.532 nan 8.380 nan 0.000 0.612 6 K N 1.275 121.393 120.400 -0.470 0.000 2.542 6 K HA 0.347 4.667 4.320 -0.000 0.000 0.259 6 K C -0.905 175.662 176.600 -0.055 0.000 0.932 6 K CA -0.411 55.720 56.287 -0.261 0.000 0.820 6 K CB 1.415 33.718 32.500 -0.329 0.000 1.345 6 K HN 0.395 nan 8.250 nan 0.000 0.432 7 D N 0.960 121.351 120.400 -0.014 0.000 2.723 7 D HA -0.169 4.471 4.640 -0.000 0.000 0.236 7 D C 0.694 177.022 176.300 0.048 0.000 1.138 7 D CA 1.776 55.795 54.000 0.031 0.000 0.676 7 D CB -1.088 39.748 40.800 0.060 0.000 1.069 7 D HN 1.012 nan 8.370 nan 0.000 0.430 8 G N -0.040 108.780 108.800 0.034 0.000 2.166 8 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.260 8 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.260 8 G C 0.098 175.045 174.900 0.079 0.000 0.986 8 G CA 0.504 45.634 45.100 0.050 0.000 0.683 8 G HN 0.621 nan 8.290 nan 0.000 0.527 9 N N 0.267 119.028 118.700 0.102 0.000 2.442 9 N HA 0.538 5.278 4.740 -0.000 0.000 0.274 9 N C -0.365 175.262 175.510 0.195 0.000 1.002 9 N CA -0.739 52.408 53.050 0.163 0.000 0.910 9 N CB 0.728 39.344 38.487 0.215 0.000 1.244 9 N HN 0.552 nan 8.380 nan 0.000 0.492 10 K N 1.303 121.804 120.400 0.169 0.000 2.323 10 K HA 0.646 4.966 4.320 -0.000 0.000 0.259 10 K C -1.199 175.527 176.600 0.211 0.000 0.947 10 K CA -0.867 55.524 56.287 0.173 0.000 0.819 10 K CB 1.681 34.241 32.500 0.099 0.000 1.109 10 K HN 0.048 nan 8.250 nan 0.000 0.429 11 V N 2.209 122.279 119.914 0.259 0.000 2.459 11 V HA 0.243 4.363 4.120 -0.000 0.000 0.295 11 V C -0.868 175.357 176.094 0.218 0.000 1.029 11 V CA -0.615 61.812 62.300 0.213 0.000 0.874 11 V CB 1.574 33.478 31.823 0.135 0.000 0.985 11 V HN 0.899 nan 8.190 nan 0.000 0.438 12 D N 4.087 124.632 120.400 0.243 0.000 2.440 12 D HA 0.340 4.980 4.640 -0.000 0.000 0.239 12 D C -1.039 175.455 176.300 0.323 0.000 1.084 12 D CA -0.430 53.720 54.000 0.250 0.000 0.843 12 D CB 1.754 42.683 40.800 0.216 0.000 1.097 12 D HN 0.350 nan 8.370 nan 0.000 0.531 13 L N 6.265 127.658 121.223 0.283 0.000 2.265 13 L HA 0.420 4.760 4.340 -0.000 0.000 0.288 13 L C -1.251 175.745 176.870 0.210 0.000 1.058 13 L CA -0.400 54.596 54.840 0.259 0.000 0.809 13 L CB 0.252 42.475 42.059 0.274 0.000 1.179 13 L HN 0.338 nan 8.230 nan 0.000 0.429 14 Y N 2.900 123.157 120.300 -0.072 0.000 2.605 14 Y HA 1.013 5.563 4.550 0.000 0.000 0.343 14 Y C -0.084 175.422 175.900 -0.655 0.000 1.036 14 Y CA -0.770 57.043 58.100 -0.478 0.000 1.065 14 Y CB 1.656 39.947 38.460 -0.281 0.000 1.288 14 Y HN 0.765 nan 8.280 nan 0.000 0.481 15 G N 0.976 109.227 108.800 -0.914 0.000 2.451 15 G HA2 0.538 4.498 3.960 -0.000 0.000 0.292 15 G HA3 0.538 4.498 3.960 -0.000 0.000 0.292 15 G C -2.355 172.409 174.900 -0.227 0.000 1.427 15 G CA -1.196 43.633 45.100 -0.451 0.000 0.792 15 G HN 1.031 nan 8.290 nan 0.000 0.498 16 K N -1.398 119.041 120.400 0.065 0.000 2.562 16 K HA 0.782 5.102 4.320 -0.000 0.000 0.267 16 K C -1.200 175.474 176.600 0.123 0.000 0.938 16 K CA -0.864 55.496 56.287 0.122 0.000 0.840 16 K CB 2.255 34.777 32.500 0.038 0.000 1.390 16 K HN 1.428 nan 8.250 nan 0.000 0.428 17 A N 2.223 125.134 122.820 0.152 0.000 2.285 17 A HA 0.524 4.844 4.320 -0.000 0.000 0.310 17 A C -0.965 176.597 177.584 -0.037 0.000 1.266 17 A CA -0.762 51.309 52.037 0.057 0.000 0.832 17 A CB 1.095 20.169 19.000 0.123 0.000 1.163 17 A HN 0.393 nan 8.150 nan 0.000 0.499 18 V N 3.155 122.921 119.914 -0.247 0.000 2.294 18 V HA 0.464 4.584 4.120 -0.000 0.000 0.272 18 V C 1.010 177.006 176.094 -0.164 0.000 1.027 18 V CA -0.215 61.920 62.300 -0.275 0.000 0.823 18 V CB 1.119 32.547 31.823 -0.658 0.000 1.030 18 V HN 1.017 nan 8.190 nan 0.000 0.457 19 G N 4.922 113.685 108.800 -0.062 0.000 2.360 19 G HA2 0.483 4.443 3.960 -0.000 0.000 0.279 19 G HA3 0.483 4.443 3.960 -0.000 0.000 0.279 19 G C -0.956 173.942 174.900 -0.003 0.000 1.189 19 G CA 0.004 45.091 45.100 -0.023 0.000 0.941 19 G HN 0.499 nan 8.290 nan 0.000 0.445 20 L N 2.056 123.300 121.223 0.035 0.000 2.409 20 L HA 0.785 5.125 4.340 -0.000 0.000 0.262 20 L C -1.132 175.794 176.870 0.093 0.000 0.992 20 L CA -1.169 53.721 54.840 0.084 0.000 0.817 20 L CB 2.476 44.620 42.059 0.142 0.000 1.350 20 L HN 0.652 nan 8.230 nan 0.000 0.411 21 H N 2.374 121.478 119.070 0.056 0.000 2.947 21 H HA 0.623 5.179 4.556 -0.000 0.000 0.354 21 H C -1.749 173.681 175.328 0.169 0.000 1.085 21 H CA -0.326 55.695 56.048 -0.045 0.000 1.253 21 H CB 1.225 30.883 29.762 -0.174 0.000 1.757 21 H HN 0.442 nan 8.280 nan 0.000 0.523 22 Y N 3.834 123.867 120.300 -0.445 0.000 2.387 22 Y HA 0.376 4.926 4.550 -0.000 0.000 0.336 22 Y C -0.826 174.924 175.900 -0.251 0.000 1.067 22 Y CA -1.301 56.733 58.100 -0.109 0.000 1.114 22 Y CB 0.805 39.263 38.460 -0.003 0.000 1.208 22 Y HN 0.490 nan 8.280 nan 0.000 0.458 23 F N 1.197 121.336 119.950 0.314 0.000 2.445 23 F HA 0.588 5.115 4.527 -0.000 0.000 0.348 23 F C -0.036 175.865 175.800 0.169 0.000 1.125 23 F CA -0.469 57.671 58.000 0.232 0.000 0.983 23 F CB 1.688 40.807 39.000 0.198 0.000 1.198 23 F HN 0.195 nan 8.300 nan 0.000 0.436 24 S N 2.000 117.871 115.700 0.285 0.000 2.546 24 S HA 0.468 4.938 4.470 -0.000 0.000 0.274 24 S C -0.883 173.814 174.600 0.162 0.000 1.121 24 S CA -1.336 56.984 58.200 0.200 0.000 0.887 24 S CB 2.115 65.410 63.200 0.158 0.000 1.094 24 S HN 0.567 nan 8.310 nan 0.000 0.474 25 K N 0.981 121.461 120.400 0.133 0.000 2.202 25 K HA 0.676 4.996 4.320 -0.000 0.000 0.264 25 K C 0.858 177.510 176.600 0.087 0.000 1.010 25 K CA -0.056 56.295 56.287 0.108 0.000 0.940 25 K CB 0.051 32.606 32.500 0.093 0.000 0.983 25 K HN 0.919 nan 8.250 nan 0.000 0.475 26 G N 1.686 110.532 108.800 0.076 0.000 2.498 26 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.245 26 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.245 26 G C -0.140 174.795 174.900 0.057 0.000 1.204 26 G CA 0.196 45.332 45.100 0.061 0.000 0.933 26 G HN 0.745 nan 8.290 nan 0.000 0.574 27 N N 2.203 120.931 118.700 0.047 0.000 2.320 27 N HA 0.365 5.105 4.740 -0.000 0.000 0.237 27 N C 1.763 177.295 175.510 0.037 0.000 1.129 27 N CA 1.375 54.447 53.050 0.037 0.000 0.854 27 N CB -0.698 37.806 38.487 0.028 0.000 1.083 27 N HN 2.071 nan 8.380 nan 0.000 0.504 28 G N 0.891 109.722 108.800 0.052 0.000 2.219 28 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.271 28 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.271 28 G C 0.836 175.759 174.900 0.037 0.000 0.991 28 G CA 0.967 46.102 45.100 0.057 0.000 0.685 28 G HN 0.587 nan 8.290 nan 0.000 0.531 29 E N -0.157 120.060 120.200 0.028 0.000 2.106 29 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 29 E C 1.992 178.600 176.600 0.013 0.000 0.984 29 E CA 0.947 57.355 56.400 0.014 0.000 0.806 29 E CB -0.194 29.515 29.700 0.015 0.000 0.750 29 E HN 0.613 nan 8.360 nan 0.000 0.458 30 N N 0.452 119.169 118.700 0.029 0.000 2.280 30 N HA -0.022 4.718 4.740 -0.000 0.000 0.192 30 N C -0.197 175.339 175.510 0.042 0.000 1.109 30 N CA 0.119 53.190 53.050 0.034 0.000 0.855 30 N CB 0.447 38.962 38.487 0.047 0.000 0.974 30 N HN 0.079 nan 8.380 nan 0.000 0.482 31 S N -0.978 114.749 115.700 0.044 0.000 2.707 31 S HA 0.086 4.556 4.470 -0.000 0.000 0.276 31 S C 0.994 175.620 174.600 0.043 0.000 1.179 31 S CA -0.747 57.489 58.200 0.061 0.000 0.992 31 S CB 0.804 64.052 63.200 0.079 0.000 1.030 31 S HN 0.255 nan 8.310 nan 0.000 0.554 32 Y N 1.430 121.674 120.300 -0.093 0.000 2.114 32 Y HA 0.135 4.685 4.550 -0.000 0.000 0.284 32 Y C 2.036 177.840 175.900 -0.159 0.000 1.143 32 Y CA 2.064 60.063 58.100 -0.167 0.000 1.135 32 Y CB -0.881 37.383 38.460 -0.326 0.000 0.980 32 Y HN 0.756 nan 8.280 nan 0.000 0.499 33 G N -0.878 107.799 108.800 -0.204 0.000 3.159 33 G HA2 0.442 4.401 3.960 -0.000 0.000 0.232 33 G HA3 0.442 4.401 3.960 -0.000 0.000 0.232 33 G C 0.462 175.480 174.900 0.197 0.000 1.116 33 G CA 0.311 45.331 45.100 -0.135 0.000 0.767 33 G HN 0.941 nan 8.290 nan 0.000 0.547 34 G N -0.087 108.791 108.800 0.130 0.000 2.587 34 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.212 34 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.212 34 G C -0.830 174.195 174.900 0.209 0.000 1.327 34 G CA -0.119 45.072 45.100 0.151 0.000 0.898 34 G HN 0.822 nan 8.290 nan 0.000 0.551 35 N N 0.026 118.790 118.700 0.107 0.000 2.405 35 N HA 0.621 5.361 4.740 -0.000 0.000 0.274 35 N C 0.092 175.513 175.510 -0.147 0.000 1.170 35 N CA 1.014 54.089 53.050 0.042 0.000 0.848 35 N CB 1.757 40.277 38.487 0.055 0.000 1.629 35 N HN 2.662 nan 8.380 nan 0.000 0.481 36 G N 1.898 110.458 108.800 -0.400 0.000 2.549 36 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.404 36 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.404 36 G C -1.133 173.222 174.900 -0.908 0.000 1.292 36 G CA -0.473 44.235 45.100 -0.654 0.000 0.935 36 G HN 0.739 nan 8.290 nan 0.000 0.512 37 D N 0.203 120.287 120.400 -0.527 0.000 2.493 37 D HA 0.404 5.044 4.640 -0.000 0.000 0.240 37 D C 1.356 177.486 176.300 -0.285 0.000 1.142 37 D CA 0.483 54.325 54.000 -0.264 0.000 0.872 37 D CB 0.251 41.018 40.800 -0.056 0.000 1.173 37 D HN 0.372 nan 8.370 nan 0.000 0.467 38 M N 2.267 121.715 119.600 -0.253 0.000 2.687 38 M HA 0.068 4.548 4.480 -0.000 0.000 0.413 38 M C -0.046 176.255 176.300 0.001 0.000 1.216 38 M CA -0.340 54.815 55.300 -0.243 0.000 0.871 38 M CB -0.262 31.979 32.600 -0.599 0.000 1.481 38 M HN 0.201 nan 8.290 nan 0.000 0.521 39 T N 2.939 117.508 114.554 0.025 0.000 2.923 39 T HA 0.122 4.472 4.350 -0.000 0.000 0.304 39 T C -0.396 174.405 174.700 0.169 0.000 1.044 39 T CA 0.972 63.111 62.100 0.065 0.000 1.141 39 T CB -0.078 68.806 68.868 0.028 0.000 1.023 39 T HN 0.446 nan 8.240 nan 0.000 0.533 40 Y N -0.461 119.861 120.300 0.037 0.000 2.764 40 Y HA 0.765 5.315 4.550 -0.000 0.000 0.331 40 Y C -0.995 174.968 175.900 0.104 0.000 1.280 40 Y CA -1.740 56.398 58.100 0.064 0.000 1.065 40 Y CB 0.788 39.269 38.460 0.036 0.000 1.319 40 Y HN 0.764 nan 8.280 nan 0.000 0.453 41 A N 1.458 124.414 122.820 0.227 0.000 2.587 41 A HA 0.944 5.264 4.320 -0.000 0.000 0.293 41 A C -1.496 176.308 177.584 0.367 0.000 1.087 41 A CA -1.175 50.965 52.037 0.172 0.000 0.692 41 A CB 2.037 21.144 19.000 0.179 0.000 1.291 41 A HN 0.675 nan 8.150 nan 0.000 0.407 42 R N -0.392 120.272 120.500 0.273 0.000 2.795 42 R HA 0.766 5.106 4.340 -0.000 0.000 0.275 42 R C -2.085 174.309 176.300 0.157 0.000 0.981 42 R CA -0.734 55.495 56.100 0.215 0.000 0.917 42 R CB 1.870 32.259 30.300 0.148 0.000 1.202 42 R HN 0.670 nan 8.270 nan 0.000 0.469 43 L N -0.102 121.148 121.223 0.044 0.000 2.493 43 L HA 0.774 5.114 4.340 -0.000 0.000 0.265 43 L C -0.824 175.749 176.870 -0.495 0.000 0.954 43 L CA -0.035 54.767 54.840 -0.063 0.000 0.844 43 L CB 2.364 44.592 42.059 0.281 0.000 1.302 43 L HN 0.795 nan 8.230 nan 0.000 0.405 44 G N 2.487 110.802 108.800 -0.808 0.000 2.623 44 G HA2 0.645 4.605 3.960 -0.000 0.000 0.290 44 G HA3 0.645 4.605 3.960 -0.000 0.000 0.290 44 G C -2.013 172.448 174.900 -0.732 0.000 1.437 44 G CA -0.423 44.055 45.100 -1.036 0.000 0.798 44 G HN 0.714 nan 8.290 nan 0.000 0.488 45 F N -0.969 118.865 119.950 -0.194 0.000 2.588 45 F HA 0.871 5.398 4.527 -0.000 0.000 0.310 45 F C -0.824 175.117 175.800 0.236 0.000 1.082 45 F CA -1.728 56.319 58.000 0.077 0.000 0.929 45 F CB 2.130 41.216 39.000 0.144 0.000 1.254 45 F HN 0.330 nan 8.300 nan 0.000 0.455 46 K N 2.431 123.147 120.400 0.527 0.000 2.535 46 K HA 0.620 4.940 4.320 -0.000 0.000 0.253 46 K C -0.508 176.314 176.600 0.370 0.000 0.953 46 K CA -0.851 55.651 56.287 0.358 0.000 0.863 46 K CB 2.087 34.728 32.500 0.235 0.000 1.111 46 K HN 1.051 nan 8.250 nan 0.000 0.431 47 G N 1.721 110.753 108.800 0.387 0.000 2.432 47 G HA2 0.480 4.440 3.960 -0.000 0.000 0.331 47 G HA3 0.480 4.440 3.960 -0.000 0.000 0.331 47 G C -1.258 173.799 174.900 0.262 0.000 1.170 47 G CA -0.283 44.990 45.100 0.287 0.000 0.943 47 G HN 0.563 nan 8.290 nan 0.000 0.483 48 E N -0.155 120.173 120.200 0.214 0.000 2.307 48 E HA 0.439 4.789 4.350 -0.000 0.000 0.280 48 E C -1.555 175.146 176.600 0.168 0.000 0.900 48 E CA -0.586 55.944 56.400 0.216 0.000 0.790 48 E CB 2.104 31.909 29.700 0.174 0.000 1.261 48 E HN 0.467 nan 8.360 nan 0.000 0.405 49 T N 3.044 117.697 114.554 0.164 0.000 2.841 49 T HA 0.280 4.630 4.350 -0.000 0.000 0.283 49 T C -0.864 173.906 174.700 0.118 0.000 1.000 49 T CA -0.485 61.691 62.100 0.127 0.000 0.977 49 T CB 1.454 70.386 68.868 0.107 0.000 0.979 49 T HN 0.455 nan 8.240 nan 0.000 0.446 50 Q N 4.630 124.488 119.800 0.097 0.000 2.389 50 Q HA 0.307 4.647 4.340 -0.000 0.000 0.244 50 Q C 1.037 177.082 176.000 0.074 0.000 1.056 50 Q CA -0.237 55.618 55.803 0.088 0.000 0.908 50 Q CB 0.672 29.454 28.738 0.073 0.000 1.273 50 Q HN 0.736 nan 8.270 nan 0.000 0.471 51 I N 1.968 122.582 120.570 0.074 0.000 2.676 51 I HA -0.211 3.959 4.170 -0.000 0.000 0.259 51 I C 0.378 176.523 176.117 0.046 0.000 1.194 51 I CA 0.750 62.082 61.300 0.053 0.000 1.473 51 I CB -0.154 37.871 38.000 0.042 0.000 1.096 51 I HN 0.668 nan 8.210 nan 0.000 0.443 52 N N -3.340 115.395 118.700 0.059 0.000 3.514 52 N HA 0.024 4.764 4.740 -0.000 0.000 0.268 52 N C 0.078 175.635 175.510 0.079 0.000 1.391 52 N CA -0.173 52.913 53.050 0.059 0.000 0.821 52 N CB 0.334 38.850 38.487 0.048 0.000 1.563 52 N HN -0.329 nan 8.380 nan 0.000 0.426 53 S N -0.781 114.967 115.700 0.079 0.000 2.374 53 S HA -0.147 4.322 4.470 -0.000 0.000 0.227 53 S C 0.463 175.135 174.600 0.120 0.000 1.037 53 S CA 1.792 60.045 58.200 0.088 0.000 1.024 53 S CB -0.572 62.674 63.200 0.077 0.000 0.861 53 S HN 0.641 nan 8.310 nan 0.000 0.456 54 D N -0.271 120.233 120.400 0.174 0.000 2.301 54 D HA 0.127 4.767 4.640 -0.000 0.000 0.206 54 D C 0.183 176.688 176.300 0.341 0.000 0.979 54 D CA 0.189 54.351 54.000 0.270 0.000 0.874 54 D CB 0.003 41.090 40.800 0.478 0.000 0.968 54 D HN 0.227 nan 8.370 nan 0.000 0.510 55 L N 1.217 122.576 121.223 0.226 0.000 2.272 55 L HA 0.337 4.677 4.340 -0.000 0.000 0.289 55 L C -0.676 176.280 176.870 0.144 0.000 1.032 55 L CA 0.106 55.046 54.840 0.166 0.000 0.810 55 L CB 1.787 43.854 42.059 0.012 0.000 1.205 55 L HN -0.310 nan 8.230 nan 0.000 0.422 56 T N 3.913 118.577 114.554 0.182 0.000 2.848 56 T HA 0.740 5.090 4.350 -0.000 0.000 0.285 56 T C -0.075 174.771 174.700 0.244 0.000 0.995 56 T CA -0.457 61.761 62.100 0.197 0.000 0.970 56 T CB 1.526 70.520 68.868 0.210 0.000 0.976 56 T HN 0.785 nan 8.240 nan 0.000 0.441 57 G N 1.793 110.712 108.800 0.198 0.000 2.441 57 G HA2 0.763 4.723 3.960 -0.000 0.000 0.334 57 G HA3 0.763 4.723 3.960 -0.000 0.000 0.334 57 G C -1.559 173.488 174.900 0.245 0.000 1.161 57 G CA -0.730 44.448 45.100 0.130 0.000 0.935 57 G HN 0.745 nan 8.290 nan 0.000 0.488 58 Y N -1.987 118.396 120.300 0.138 0.000 2.677 58 Y HA 0.769 5.319 4.550 0.000 0.000 0.334 58 Y C -0.167 175.814 175.900 0.136 0.000 1.196 58 Y CA -1.212 56.972 58.100 0.139 0.000 1.059 58 Y CB 1.075 39.622 38.460 0.145 0.000 1.315 58 Y HN 1.035 nan 8.280 nan 0.000 0.455 59 G N 0.582 109.567 108.800 0.308 0.000 2.704 59 G HA2 0.556 4.516 3.960 -0.000 0.000 0.293 59 G HA3 0.556 4.516 3.960 -0.000 0.000 0.293 59 G C -2.436 172.462 174.900 -0.003 0.000 1.421 59 G CA -0.999 44.171 45.100 0.117 0.000 0.870 59 G HN 0.926 nan 8.290 nan 0.000 0.492 60 Q N -0.547 118.987 119.800 -0.443 0.000 2.352 60 Q HA 0.530 4.869 4.340 -0.000 0.000 0.270 60 Q C -2.389 173.222 176.000 -0.649 0.000 1.006 60 Q CA -0.899 54.553 55.803 -0.585 0.000 0.880 60 Q CB 2.648 31.054 28.738 -0.553 0.000 1.392 60 Q HN 0.743 nan 8.270 nan 0.000 0.401 61 W N 3.378 124.104 121.300 -0.957 0.000 3.022 61 W HA 0.634 5.294 4.660 -0.000 0.000 0.335 61 W C -1.882 174.367 176.519 -0.450 0.000 1.133 61 W CA -0.320 56.619 57.345 -0.677 0.000 1.219 61 W CB 1.767 30.761 29.460 -0.776 0.000 1.409 61 W HN 0.728 nan 8.180 nan 0.000 0.507 62 E N 4.642 124.183 120.200 -1.099 0.000 2.290 62 E HA 0.302 4.652 4.350 -0.000 0.000 0.274 62 E C -2.275 173.667 176.600 -1.096 0.000 0.889 62 E CA -0.829 54.985 56.400 -0.977 0.000 0.760 62 E CB 2.192 31.671 29.700 -0.368 0.000 1.206 62 E HN 0.524 nan 8.360 nan 0.000 0.419 63 Y N 2.733 122.328 120.300 -1.174 0.000 2.485 63 Y HA 0.428 4.978 4.550 -0.000 0.000 0.345 63 Y C -0.960 174.566 175.900 -0.624 0.000 0.998 63 Y CA -0.855 56.716 58.100 -0.883 0.000 1.059 63 Y CB 1.801 39.713 38.460 -0.913 0.000 1.234 63 Y HN 0.575 nan 8.280 nan 0.000 0.461 64 N N 3.556 121.766 118.700 -0.817 0.000 2.476 64 N HA 0.340 5.080 4.740 -0.000 0.000 0.257 64 N C -2.148 173.127 175.510 -0.392 0.000 0.970 64 N CA -0.319 52.464 53.050 -0.444 0.000 0.938 64 N CB 0.372 38.622 38.487 -0.395 0.000 1.144 64 N HN 0.370 nan 8.380 nan 0.000 0.500 65 F N 2.282 122.336 119.950 0.173 0.000 2.313 65 F HA 0.330 4.857 4.527 -0.000 0.000 0.369 65 F C 0.547 176.440 175.800 0.155 0.000 1.109 65 F CA -0.741 57.382 58.000 0.204 0.000 1.132 65 F CB 0.902 40.026 39.000 0.207 0.000 1.291 65 F HN 0.257 nan 8.300 nan 0.000 0.496 66 Q N 1.603 121.545 119.800 0.237 0.000 2.315 66 Q HA 0.134 4.474 4.340 -0.000 0.000 0.289 66 Q C 1.088 177.196 176.000 0.179 0.000 1.044 66 Q CA 0.376 56.285 55.803 0.176 0.000 0.920 66 Q CB 1.222 30.007 28.738 0.079 0.000 1.214 66 Q HN 0.911 nan 8.270 nan 0.000 0.392 67 G N 1.855 110.749 108.800 0.156 0.000 3.324 67 G HA2 -0.058 3.901 3.960 -0.000 0.000 0.251 67 G HA3 -0.058 3.901 3.960 -0.000 0.000 0.251 67 G C 0.437 175.373 174.900 0.059 0.000 1.072 67 G CA -0.203 44.958 45.100 0.103 0.000 0.787 67 G HN 0.605 nan 8.290 nan 0.000 0.537 68 N N 0.117 118.845 118.700 0.046 0.000 2.234 68 N HA 0.105 4.845 4.740 -0.000 0.000 0.227 68 N C -0.322 175.192 175.510 0.006 0.000 1.151 68 N CA -0.563 52.493 53.050 0.010 0.000 0.865 68 N CB 0.042 38.514 38.487 -0.025 0.000 1.066 68 N HN -0.029 nan 8.380 nan 0.000 0.515 69 N N 0.254 118.968 118.700 0.023 0.000 2.485 69 N HA 0.244 4.984 4.740 -0.000 0.000 0.280 69 N C 0.110 175.632 175.510 0.020 0.000 1.205 69 N CA -0.371 52.691 53.050 0.020 0.000 0.959 69 N CB 1.610 40.117 38.487 0.033 0.000 1.206 69 N HN 0.305 nan 8.380 nan 0.000 0.545 70 S N -0.764 114.946 115.700 0.016 0.000 2.671 70 S HA 0.255 4.725 4.470 -0.000 0.000 0.272 70 S C 0.528 175.140 174.600 0.019 0.000 1.174 70 S CA -0.379 57.830 58.200 0.014 0.000 1.004 70 S CB 0.824 64.030 63.200 0.009 0.000 1.077 70 S HN 0.508 nan 8.310 nan 0.000 0.553 71 E N -0.073 120.136 120.200 0.015 0.000 2.465 71 E HA 0.206 4.556 4.350 -0.000 0.000 0.191 71 E C 1.081 177.690 176.600 0.015 0.000 1.053 71 E CA -0.028 56.382 56.400 0.016 0.000 0.869 71 E CB 0.013 29.719 29.700 0.010 0.000 0.977 71 E HN 0.699 nan 8.360 nan 0.000 0.483 72 G N 0.753 109.561 108.800 0.014 0.000 2.582 72 G HA2 0.227 4.187 3.960 -0.000 0.000 0.232 72 G HA3 0.227 4.187 3.960 -0.000 0.000 0.232 72 G C 1.092 176.001 174.900 0.015 0.000 1.458 72 G CA 0.175 45.282 45.100 0.012 0.000 1.062 72 G HN 0.158 nan 8.290 nan 0.000 0.566 73 A N 0.121 122.948 122.820 0.012 0.000 1.978 73 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 73 A C 1.874 179.467 177.584 0.015 0.000 1.170 73 A CA 2.306 54.350 52.037 0.012 0.000 0.636 73 A CB -0.550 18.455 19.000 0.008 0.000 0.810 73 A HN 0.649 nan 8.150 nan 0.000 0.448 74 D N -0.217 120.191 120.400 0.013 0.000 2.349 74 D HA 0.200 4.840 4.640 -0.000 0.000 0.224 74 D C 1.584 177.899 176.300 0.024 0.000 1.029 74 D CA 0.788 54.796 54.000 0.014 0.000 0.879 74 D CB -0.301 40.504 40.800 0.007 0.000 0.906 74 D HN 0.370 nan 8.370 nan 0.000 0.528 75 A N 1.249 124.087 122.820 0.031 0.000 1.971 75 A HA -0.266 4.054 4.320 -0.000 0.000 0.222 75 A C 2.157 179.782 177.584 0.069 0.000 1.182 75 A CA 1.510 53.576 52.037 0.047 0.000 0.649 75 A CB -0.403 18.625 19.000 0.048 0.000 0.818 75 A HN 0.188 nan 8.150 nan 0.000 0.458 76 Q N -0.341 119.497 119.800 0.064 0.000 2.403 76 Q HA 0.039 4.379 4.340 -0.000 0.000 0.203 76 Q C 0.051 176.080 176.000 0.049 0.000 0.932 76 Q CA 0.264 56.115 55.803 0.080 0.000 0.945 76 Q CB -0.504 28.280 28.738 0.077 0.000 1.045 76 Q HN 0.538 nan 8.270 nan 0.000 0.511 77 T N 1.208 115.778 114.554 0.028 0.000 2.822 77 T HA 0.163 4.513 4.350 -0.000 0.000 0.288 77 T C 1.173 175.866 174.700 -0.012 0.000 0.991 77 T CA 1.294 63.394 62.100 0.001 0.000 1.176 77 T CB 0.185 69.050 68.868 -0.006 0.000 0.951 77 T HN 0.622 nan 8.240 nan 0.000 0.526 78 G N 3.865 112.640 108.800 -0.043 0.000 2.176 78 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.253 78 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.253 78 G C 0.147 174.975 174.900 -0.119 0.000 0.979 78 G CA -0.435 44.616 45.100 -0.081 0.000 0.641 78 G HN 0.661 nan 8.290 nan 0.000 0.530 79 N N 1.490 120.140 118.700 -0.082 0.000 2.520 79 N HA 0.577 5.317 4.740 -0.000 0.000 0.273 79 N C 0.286 175.603 175.510 -0.323 0.000 1.155 79 N CA 0.665 53.622 53.050 -0.154 0.000 0.967 79 N CB 1.080 39.618 38.487 0.086 0.000 1.092 79 N HN 0.899 nan 8.380 nan 0.000 0.457 80 K N -1.517 118.418 120.400 -0.776 0.000 2.642 80 K HA 0.381 4.701 4.320 -0.000 0.000 0.290 80 K C -1.404 174.477 176.600 -1.198 0.000 1.006 80 K CA -0.911 54.926 56.287 -0.749 0.000 0.869 80 K CB 0.452 32.700 32.500 -0.420 0.000 1.499 80 K HN 0.110 nan 8.250 nan 0.000 0.403 81 T N 1.049 115.243 114.554 -0.600 0.000 2.743 81 T HA 0.196 4.546 4.350 -0.000 0.000 0.293 81 T C 0.643 175.138 174.700 -0.341 0.000 0.945 81 T CA -0.603 61.290 62.100 -0.346 0.000 1.030 81 T CB 0.412 69.351 68.868 0.118 0.000 0.912 81 T HN 0.644 nan 8.240 nan 0.000 0.483 82 C N 3.816 122.877 119.300 -0.398 0.000 2.522 82 C HA 0.336 4.796 4.460 -0.000 0.000 0.280 82 C C 0.785 175.611 174.990 -0.273 0.000 1.303 82 C CA -0.137 58.681 59.018 -0.332 0.000 1.709 82 C CB -0.710 26.837 27.740 -0.321 0.000 2.071 82 C HN 0.625 nan 8.230 nan 0.000 0.492 83 L N -0.370 120.712 121.223 -0.236 0.000 2.393 83 L HA 0.708 5.048 4.340 -0.000 0.000 0.260 83 L C -0.730 176.101 176.870 -0.064 0.000 1.002 83 L CA -0.291 54.484 54.840 -0.107 0.000 0.818 83 L CB 1.709 43.748 42.059 -0.034 0.000 1.369 83 L HN 0.033 nan 8.230 nan 0.000 0.412 84 A N 2.820 125.666 122.820 0.044 0.000 2.475 84 A HA 0.655 4.975 4.320 -0.000 0.000 0.300 84 A C -1.279 176.361 177.584 0.093 0.000 1.089 84 A CA -0.381 51.683 52.037 0.045 0.000 0.948 84 A CB 0.256 19.348 19.000 0.153 0.000 1.508 84 A HN 0.640 nan 8.150 nan 0.000 0.385 85 F N -0.370 119.586 119.950 0.010 0.000 2.686 85 F HA 0.954 5.481 4.527 -0.000 0.000 0.311 85 F C -0.323 175.501 175.800 0.039 0.000 1.128 85 F CA -0.768 57.231 58.000 -0.001 0.000 0.946 85 F CB 1.069 40.045 39.000 -0.040 0.000 1.336 85 F HN 0.994 nan 8.300 nan 0.000 0.457 86 A N 0.493 123.457 122.820 0.240 0.000 2.469 86 A HA 1.031 5.351 4.320 -0.000 0.000 0.299 86 A C -0.545 177.018 177.584 -0.035 0.000 1.098 86 A CA -0.417 51.656 52.037 0.061 0.000 0.737 86 A CB 1.454 20.485 19.000 0.052 0.000 1.312 86 A HN 2.057 nan 8.150 nan 0.000 0.414 87 G N -0.772 107.744 108.800 -0.474 0.000 2.550 87 G HA2 0.588 4.548 3.960 -0.000 0.000 0.293 87 G HA3 0.588 4.548 3.960 -0.000 0.000 0.293 87 G C -2.013 172.473 174.900 -0.690 0.000 1.402 87 G CA -0.593 44.157 45.100 -0.584 0.000 0.784 87 G HN 0.834 nan 8.290 nan 0.000 0.482 88 L N -0.079 121.060 121.223 -0.140 0.000 2.401 88 L HA 0.596 4.935 4.340 -0.000 0.000 0.266 88 L C -0.475 176.603 176.870 0.348 0.000 0.991 88 L CA -0.866 54.042 54.840 0.113 0.000 0.818 88 L CB 2.689 44.833 42.059 0.140 0.000 1.321 88 L HN 0.428 nan 8.230 nan 0.000 0.413 89 K N 2.146 122.777 120.400 0.385 0.000 2.270 89 K HA 0.537 4.857 4.320 -0.000 0.000 0.255 89 K C -1.681 175.118 176.600 0.332 0.000 0.936 89 K CA -0.830 55.657 56.287 0.333 0.000 0.809 89 K CB 2.466 35.123 32.500 0.262 0.000 1.131 89 K HN 0.279 nan 8.250 nan 0.000 0.427 90 Y N 2.492 122.870 120.300 0.130 0.000 2.326 90 Y HA 0.419 4.969 4.550 0.000 0.000 0.329 90 Y C 0.511 176.464 175.900 0.088 0.000 0.973 90 Y CA -0.688 57.477 58.100 0.110 0.000 1.162 90 Y CB 0.564 39.095 38.460 0.118 0.000 1.147 90 Y HN 0.973 nan 8.280 nan 0.000 0.456 91 A N 4.154 127.003 122.820 0.047 0.000 5.330 91 A HA -0.352 3.968 4.320 -0.000 0.000 0.357 91 A C 1.057 178.559 177.584 -0.137 0.000 1.623 91 A CA 2.401 54.335 52.037 -0.171 0.000 0.744 91 A CB -1.516 17.184 19.000 -0.500 0.000 1.497 91 A HN 0.740 nan 8.150 nan 0.000 0.422 92 D N -1.001 119.293 120.400 -0.177 0.000 2.402 92 D HA 0.347 4.987 4.640 -0.000 0.000 0.216 92 D C 1.406 177.664 176.300 -0.071 0.000 1.128 92 D CA 0.722 54.669 54.000 -0.089 0.000 0.833 92 D CB 0.306 41.092 40.800 -0.023 0.000 0.971 92 D HN 0.236 nan 8.370 nan 0.000 0.503 93 V N 0.093 119.949 119.914 -0.096 0.000 2.788 93 V HA 0.234 4.354 4.120 -0.000 0.000 0.251 93 V C 1.356 177.489 176.094 0.065 0.000 1.068 93 V CA 1.157 63.500 62.300 0.072 0.000 1.090 93 V CB -0.199 31.655 31.823 0.052 0.000 0.710 93 V HN 0.385 nan 8.190 nan 0.000 0.467 94 G N 0.058 108.841 108.800 -0.028 0.000 2.354 94 G HA2 0.161 4.121 3.960 -0.000 0.000 0.582 94 G HA3 0.161 4.121 3.960 -0.000 0.000 0.582 94 G C -0.520 174.379 174.900 -0.001 0.000 1.316 94 G CA -0.264 44.734 45.100 -0.169 0.000 0.995 94 G HN 0.756 nan 8.290 nan 0.000 0.573 95 S N -1.255 114.373 115.700 -0.120 0.000 2.600 95 S HA 0.890 5.360 4.470 -0.000 0.000 0.300 95 S C -1.062 173.687 174.600 0.248 0.000 1.087 95 S CA -0.606 57.674 58.200 0.134 0.000 0.965 95 S CB 2.518 65.797 63.200 0.132 0.000 1.089 95 S HN 1.984 nan 8.310 nan 0.000 0.496 96 F N 1.520 121.595 119.950 0.208 0.000 2.574 96 F HA 0.632 5.159 4.527 -0.000 0.000 0.313 96 F C -2.008 173.906 175.800 0.189 0.000 1.130 96 F CA -0.495 57.639 58.000 0.223 0.000 0.936 96 F CB 1.668 40.821 39.000 0.254 0.000 1.219 96 F HN 0.943 nan 8.300 nan 0.000 0.445 97 D N 3.468 123.448 120.400 -0.701 0.000 2.661 97 D HA 0.428 5.068 4.640 -0.000 0.000 0.228 97 D C -2.075 173.908 176.300 -0.529 0.000 1.210 97 D CA -0.556 53.173 54.000 -0.451 0.000 0.826 97 D CB 2.010 42.779 40.800 -0.051 0.000 1.542 97 D HN 0.497 nan 8.370 nan 0.000 0.447 98 Y N 0.368 120.494 120.300 -0.289 0.000 2.492 98 Y HA 0.678 5.228 4.550 -0.000 0.000 0.346 98 Y C 0.070 175.993 175.900 0.040 0.000 0.997 98 Y CA 0.446 58.456 58.100 -0.149 0.000 1.025 98 Y CB 1.933 40.355 38.460 -0.063 0.000 1.263 98 Y HN 1.027 nan 8.280 nan 0.000 0.454 99 G N 3.999 112.307 108.800 -0.820 0.000 2.291 99 G HA2 0.040 4.000 3.960 -0.000 0.000 0.249 99 G HA3 0.040 4.000 3.960 -0.000 0.000 0.249 99 G C -1.772 172.931 174.900 -0.328 0.000 1.340 99 G CA -1.098 43.728 45.100 -0.456 0.000 1.017 99 G HN 0.756 nan 8.290 nan 0.000 0.470 100 R N 0.929 121.361 120.500 -0.113 0.000 2.234 100 R HA 0.578 4.918 4.340 -0.000 0.000 0.324 100 R C -0.362 175.900 176.300 -0.063 0.000 1.054 100 R CA -0.266 55.761 56.100 -0.121 0.000 0.912 100 R CB 0.375 30.619 30.300 -0.094 0.000 1.030 100 R HN 0.639 nan 8.270 nan 0.000 0.455 101 N N 2.450 121.036 118.700 -0.189 0.000 3.344 101 N HA 0.188 4.928 4.740 -0.000 0.000 0.296 101 N C -1.837 173.489 175.510 -0.306 0.000 1.571 101 N CA -0.654 52.254 53.050 -0.237 0.000 0.844 101 N CB 0.614 38.862 38.487 -0.397 0.000 1.718 101 N HN 0.318 nan 8.380 nan 0.000 0.589 102 Y N 0.738 120.937 120.300 -0.168 0.000 2.336 102 Y HA 0.429 4.979 4.550 0.000 0.000 0.335 102 Y C 1.472 177.353 175.900 -0.032 0.000 1.046 102 Y CA 0.091 58.108 58.100 -0.138 0.000 1.198 102 Y CB 0.691 39.056 38.460 -0.158 0.000 1.182 102 Y HN 0.489 nan 8.280 nan 0.000 0.502 103 G N 1.601 110.509 108.800 0.181 0.000 2.630 103 G HA2 0.214 4.174 3.960 -0.000 0.000 0.236 103 G HA3 0.214 4.174 3.960 -0.000 0.000 0.236 103 G C 0.978 176.058 174.900 0.300 0.000 1.248 103 G CA -0.126 45.128 45.100 0.256 0.000 0.844 103 G HN 0.732 nan 8.290 nan 0.000 0.588 104 V N 0.820 120.901 119.914 0.279 0.000 2.407 104 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 104 V C 2.751 178.923 176.094 0.129 0.000 1.055 104 V CA 1.585 63.977 62.300 0.154 0.000 1.049 104 V CB -1.070 30.787 31.823 0.056 0.000 0.662 104 V HN 0.417 nan 8.190 nan 0.000 0.455 105 V N -0.379 119.625 119.914 0.150 0.000 2.688 105 V HA -0.254 3.866 4.120 -0.000 0.000 0.256 105 V C 2.323 178.467 176.094 0.084 0.000 1.084 105 V CA 2.279 64.637 62.300 0.098 0.000 1.103 105 V CB -1.148 30.741 31.823 0.109 0.000 0.688 105 V HN 0.717 nan 8.190 nan 0.000 0.480 106 Y N 0.993 121.326 120.300 0.056 0.000 2.571 106 Y HA -0.119 4.431 4.550 0.000 0.000 0.294 106 Y C 2.011 177.881 175.900 -0.051 0.000 1.141 106 Y CA 0.986 59.093 58.100 0.013 0.000 1.308 106 Y CB -0.102 38.399 38.460 0.069 0.000 1.002 106 Y HN 0.335 nan 8.280 nan 0.000 0.551 107 D N -0.155 120.221 120.400 -0.039 0.000 2.264 107 D HA -0.112 4.528 4.640 -0.000 0.000 0.208 107 D C 1.969 178.126 176.300 -0.238 0.000 0.966 107 D CA 1.175 55.119 54.000 -0.094 0.000 0.864 107 D CB -0.045 40.740 40.800 -0.026 0.000 0.933 107 D HN 0.512 nan 8.370 nan 0.000 0.499 108 A N 0.072 122.731 122.820 -0.269 0.000 1.881 108 A HA 0.098 4.418 4.320 -0.000 0.000 0.210 108 A C 2.135 179.478 177.584 -0.402 0.000 1.239 108 A CA 0.062 51.866 52.037 -0.388 0.000 0.629 108 A CB -0.629 18.237 19.000 -0.223 0.000 0.906 108 A HN 0.137 nan 8.150 nan 0.000 0.460 109 L N 0.392 121.407 121.223 -0.346 0.000 2.349 109 L HA -0.103 4.237 4.340 -0.000 0.000 0.220 109 L C 2.548 179.133 176.870 -0.476 0.000 1.130 109 L CA 0.698 55.341 54.840 -0.329 0.000 0.791 109 L CB -0.691 41.235 42.059 -0.221 0.000 0.918 109 L HN 0.505 nan 8.230 nan 0.000 0.444 110 G N -0.881 107.444 108.800 -0.791 0.000 2.462 110 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 110 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 110 G C 1.264 176.120 174.900 -0.074 0.000 1.121 110 G CA 0.350 45.047 45.100 -0.672 0.000 0.758 110 G HN 0.220 nan 8.290 nan 0.000 0.559 111 Y N 1.852 122.043 120.300 -0.181 0.000 2.069 111 Y HA -0.185 4.365 4.550 -0.000 0.000 0.278 111 Y C 3.215 179.171 175.900 0.093 0.000 1.175 111 Y CA 1.550 59.647 58.100 -0.004 0.000 1.134 111 Y CB -0.963 37.488 38.460 -0.015 0.000 0.965 111 Y HN 0.337 nan 8.280 nan 0.000 0.498 112 T N -3.284 111.381 114.554 0.185 0.000 3.122 112 T HA 0.063 4.413 4.350 -0.000 0.000 0.250 112 T C 0.427 175.171 174.700 0.074 0.000 1.067 112 T CA 0.200 62.383 62.100 0.139 0.000 0.966 112 T CB -0.133 68.796 68.868 0.102 0.000 1.002 112 T HN -0.025 nan 8.240 nan 0.000 0.542 113 D N 1.443 121.861 120.400 0.030 0.000 2.713 113 D HA 0.232 4.872 4.640 -0.000 0.000 0.229 113 D C 0.553 176.848 176.300 -0.008 0.000 1.136 113 D CA -0.277 53.742 54.000 0.032 0.000 1.010 113 D CB -0.032 40.809 40.800 0.068 0.000 1.084 113 D HN 0.244 nan 8.370 nan 0.000 0.495 114 M N 1.316 120.903 119.600 -0.022 0.000 2.268 114 M HA 0.140 4.620 4.480 -0.000 0.000 0.355 114 M C 0.196 176.454 176.300 -0.071 0.000 0.938 114 M CA -0.202 55.037 55.300 -0.102 0.000 1.025 114 M CB 0.189 32.651 32.600 -0.229 0.000 1.773 114 M HN 0.088 nan 8.290 nan 0.000 0.613 115 L N 1.482 122.696 121.223 -0.015 0.000 2.483 115 L HA 0.058 4.398 4.340 -0.000 0.000 0.275 115 L C -0.964 175.836 176.870 -0.116 0.000 1.220 115 L CA -1.053 53.781 54.840 -0.010 0.000 0.833 115 L CB -0.274 41.828 42.059 0.072 0.000 1.102 115 L HN -0.078 nan 8.230 nan 0.000 0.490 116 P HA -0.184 nan 4.420 nan 0.000 0.215 116 P C 0.906 177.788 177.300 -0.696 0.000 1.153 116 P CA 1.207 64.033 63.100 -0.458 0.000 0.853 116 P CB 0.378 31.854 31.700 -0.374 0.000 0.788 117 E N -3.109 116.806 120.200 -0.474 0.000 2.571 117 E HA 0.156 4.506 4.350 -0.000 0.000 0.204 117 E C 0.633 176.913 176.600 -0.532 0.000 0.851 117 E CA 0.189 56.279 56.400 -0.517 0.000 1.358 117 E CB -0.231 29.152 29.700 -0.529 0.000 1.327 117 E HN -0.052 nan 8.360 nan 0.000 0.665 118 F N 0.531 120.482 119.950 0.002 0.000 2.433 118 F HA 0.707 5.234 4.527 -0.000 0.000 0.288 118 F C 1.415 177.243 175.800 0.048 0.000 0.996 118 F CA 0.207 58.230 58.000 0.039 0.000 1.104 118 F CB -0.300 38.702 39.000 0.002 0.000 1.946 118 F HN 0.136 nan 8.300 nan 0.000 0.583 119 G N -1.036 107.969 108.800 0.341 0.000 2.757 119 G HA2 0.371 4.331 3.960 -0.000 0.000 0.638 119 G HA3 0.371 4.331 3.960 -0.000 0.000 0.638 119 G C 0.449 175.448 174.900 0.165 0.000 1.344 119 G CA -0.245 45.003 45.100 0.247 0.000 0.855 119 G HN 1.876 nan 8.290 nan 0.000 0.537 120 G N -0.974 107.888 108.800 0.104 0.000 2.283 120 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.280 120 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.280 120 G C 0.703 175.602 174.900 -0.002 0.000 1.029 120 G CA 1.358 46.492 45.100 0.058 0.000 0.840 120 G HN 1.400 nan 8.290 nan 0.000 0.505 121 D N -0.423 119.985 120.400 0.012 0.000 2.182 121 D HA -0.051 4.589 4.640 -0.000 0.000 0.201 121 D C 2.652 178.742 176.300 -0.350 0.000 0.986 121 D CA 2.031 55.986 54.000 -0.075 0.000 0.847 121 D CB -0.008 40.833 40.800 0.068 0.000 0.942 121 D HN 0.642 nan 8.370 nan 0.000 0.467 122 T N -2.345 112.062 114.554 -0.244 0.000 3.081 122 T HA 0.211 4.561 4.350 -0.000 0.000 0.255 122 T C 1.327 175.875 174.700 -0.254 0.000 1.113 122 T CA 0.153 62.097 62.100 -0.261 0.000 1.082 122 T CB 0.070 68.907 68.868 -0.051 0.000 0.939 122 T HN 0.066 nan 8.240 nan 0.000 0.506 123 A N 1.412 124.131 122.820 -0.168 0.000 3.077 123 A HA 0.468 4.788 4.320 -0.000 0.000 0.255 123 A C -0.424 177.133 177.584 -0.044 0.000 1.728 123 A CA -0.776 51.289 52.037 0.046 0.000 1.383 123 A CB -1.451 17.715 19.000 0.276 0.000 1.097 123 A HN 0.580 nan 8.150 nan 0.000 0.634 124 Y N 0.252 120.602 120.300 0.082 0.000 2.550 124 Y HA 0.175 4.725 4.550 -0.000 0.000 0.343 124 Y C 1.270 177.172 175.900 0.003 0.000 1.245 124 Y CA 0.508 58.630 58.100 0.035 0.000 1.462 124 Y CB 0.538 39.020 38.460 0.037 0.000 1.340 124 Y HN 0.378 nan 8.280 nan 0.000 0.604 125 S N 1.597 117.366 115.700 0.116 0.000 2.586 125 S HA 0.093 4.563 4.470 -0.000 0.000 0.274 125 S C -0.367 174.223 174.600 -0.017 0.000 1.281 125 S CA -0.763 57.431 58.200 -0.010 0.000 1.035 125 S CB 0.391 63.549 63.200 -0.070 0.000 0.962 125 S HN 0.753 nan 8.310 nan 0.000 0.512 126 D N 1.279 121.625 120.400 -0.089 0.000 2.701 126 D HA -0.176 4.463 4.640 -0.000 0.000 0.235 126 D C -0.542 175.676 176.300 -0.136 0.000 1.155 126 D CA 0.974 54.892 54.000 -0.136 0.000 0.649 126 D CB -0.835 39.887 40.800 -0.129 0.000 1.050 126 D HN 0.624 nan 8.370 nan 0.000 0.425 127 D N -1.053 119.305 120.400 -0.069 0.000 2.739 127 D HA 0.327 4.967 4.640 -0.000 0.000 0.335 127 D C 0.618 176.986 176.300 0.112 0.000 1.216 127 D CA -0.540 53.475 54.000 0.024 0.000 0.808 127 D CB 0.023 40.929 40.800 0.177 0.000 1.121 127 D HN 0.008 nan 8.370 nan 0.000 0.499 128 F N -0.544 119.323 119.950 -0.139 0.000 2.208 128 F HA -0.399 4.128 4.527 -0.000 0.000 0.342 128 F C 1.009 176.590 175.800 -0.366 0.000 1.315 128 F CA 1.216 59.018 58.000 -0.330 0.000 1.018 128 F CB -1.190 37.679 39.000 -0.219 0.000 3.928 128 F HN 0.157 nan 8.300 nan 0.000 0.148 129 F N 0.265 120.352 119.950 0.228 0.000 2.727 129 F HA 0.224 4.752 4.527 0.000 0.000 0.302 129 F C 1.726 177.611 175.800 0.142 0.000 1.097 129 F CA 0.550 58.626 58.000 0.127 0.000 1.330 129 F CB -0.309 38.731 39.000 0.066 0.000 1.084 129 F HN 0.202 nan 8.300 nan 0.000 0.578 130 V N -2.414 117.687 119.914 0.312 0.000 2.591 130 V HA 0.368 4.488 4.120 -0.000 0.000 0.249 130 V C 1.124 177.412 176.094 0.324 0.000 1.053 130 V CA 1.306 63.781 62.300 0.293 0.000 1.068 130 V CB -0.952 31.030 31.823 0.265 0.000 0.689 130 V HN 0.159 nan 8.190 nan 0.000 0.462 131 G N -0.436 108.488 108.800 0.205 0.000 3.247 131 G HA2 0.512 4.472 3.960 -0.000 0.000 0.226 131 G HA3 0.512 4.472 3.960 -0.000 0.000 0.226 131 G C -0.903 173.945 174.900 -0.087 0.000 1.220 131 G CA -1.372 43.783 45.100 0.093 0.000 0.875 131 G HN 0.270 nan 8.290 nan 0.000 0.606 132 R N -0.347 119.954 120.500 -0.332 0.000 2.442 132 R HA 0.450 4.790 4.340 -0.000 0.000 0.291 132 R C -0.436 175.701 176.300 -0.271 0.000 1.069 132 R CA -0.005 55.809 56.100 -0.477 0.000 1.022 132 R CB 0.966 30.904 30.300 -0.602 0.000 0.976 132 R HN 0.402 nan 8.270 nan 0.000 0.443 133 V N -0.653 119.113 119.914 -0.245 0.000 3.130 133 V HA 0.731 4.851 4.120 -0.000 0.000 0.310 133 V C 0.225 176.198 176.094 -0.201 0.000 1.158 133 V CA -1.286 60.890 62.300 -0.208 0.000 1.029 133 V CB 1.964 33.662 31.823 -0.208 0.000 1.057 133 V HN 0.817 nan 8.190 nan 0.000 0.436 134 G N -0.340 108.351 108.800 -0.182 0.000 2.389 134 G HA2 0.599 4.558 3.960 -0.000 0.000 0.317 134 G HA3 0.599 4.558 3.960 -0.000 0.000 0.317 134 G C 0.739 175.537 174.900 -0.171 0.000 1.137 134 G CA -0.196 44.803 45.100 -0.169 0.000 0.870 134 G HN 2.365 nan 8.290 nan 0.000 0.496 135 G N -0.955 107.696 108.800 -0.248 0.000 2.324 135 G HA2 0.124 4.084 3.960 -0.000 0.000 0.292 135 G HA3 0.124 4.084 3.960 -0.000 0.000 0.292 135 G C 0.086 174.899 174.900 -0.144 0.000 1.079 135 G CA 0.324 45.277 45.100 -0.245 0.000 1.026 135 G HN 1.910 nan 8.290 nan 0.000 0.506 136 V N -2.406 117.339 119.914 -0.282 0.000 2.459 136 V HA 0.951 5.071 4.120 -0.000 0.000 0.295 136 V C 0.357 176.454 176.094 0.005 0.000 1.029 136 V CA -0.718 61.551 62.300 -0.051 0.000 0.874 136 V CB 1.887 33.672 31.823 -0.063 0.000 0.985 136 V HN 1.738 nan 8.190 nan 0.000 0.438 137 A N 3.362 126.352 122.820 0.283 0.000 2.271 137 A HA 0.813 5.132 4.320 -0.000 0.000 0.317 137 A C 0.189 177.907 177.584 0.223 0.000 1.245 137 A CA -0.419 51.801 52.037 0.305 0.000 0.857 137 A CB 0.742 20.109 19.000 0.611 0.000 1.175 137 A HN 0.981 nan 8.150 nan 0.000 0.512 138 T N 2.325 116.864 114.554 -0.024 0.000 2.841 138 T HA 0.450 4.800 4.350 -0.000 0.000 0.285 138 T C -1.210 173.584 174.700 0.158 0.000 0.991 138 T CA -0.108 62.035 62.100 0.072 0.000 0.966 138 T CB 0.749 69.589 68.868 -0.046 0.000 0.962 138 T HN 0.516 nan 8.240 nan 0.000 0.438 139 Y N 3.346 123.765 120.300 0.199 0.000 2.341 139 Y HA 0.660 5.209 4.550 -0.000 0.000 0.337 139 Y C -0.217 175.700 175.900 0.028 0.000 1.014 139 Y CA -1.087 57.145 58.100 0.219 0.000 1.111 139 Y CB 0.888 39.527 38.460 0.298 0.000 1.194 139 Y HN 0.516 nan 8.280 nan 0.000 0.462 140 R N 4.949 124.960 120.500 -0.816 0.000 2.628 140 R HA 0.340 4.680 4.340 -0.000 0.000 0.288 140 R C -1.366 174.294 176.300 -1.066 0.000 0.980 140 R CA -1.017 54.637 56.100 -0.744 0.000 0.891 140 R CB 1.873 31.954 30.300 -0.366 0.000 1.188 140 R HN 0.731 nan 8.270 nan 0.000 0.450 141 N N 0.825 118.890 118.700 -1.058 0.000 2.284 141 N HA 0.320 5.060 4.740 -0.000 0.000 0.300 141 N C -1.433 173.738 175.510 -0.566 0.000 1.047 141 N CA -0.278 52.192 53.050 -0.967 0.000 0.821 141 N CB 2.093 39.735 38.487 -1.409 0.000 1.337 141 N HN 0.413 nan 8.380 nan 0.000 0.482 142 S N 2.013 117.488 115.700 -0.376 0.000 2.502 142 S HA 0.361 4.831 4.470 -0.000 0.000 0.304 142 S C -0.148 174.403 174.600 -0.082 0.000 1.097 142 S CA -0.608 57.486 58.200 -0.177 0.000 1.045 142 S CB 0.890 64.008 63.200 -0.137 0.000 1.019 142 S HN 0.734 nan 8.310 nan 0.000 0.481 143 N N 1.365 120.090 118.700 0.040 0.000 2.747 143 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 143 N C -0.198 175.454 175.510 0.237 0.000 1.107 143 N CA 0.621 53.753 53.050 0.136 0.000 0.707 143 N CB -1.648 36.890 38.487 0.085 0.000 1.054 143 N HN 0.844 nan 8.380 nan 0.000 0.555 144 F N 0.065 120.062 119.950 0.080 0.000 2.635 144 F HA -0.331 4.196 4.527 0.000 0.000 0.228 144 F C 0.186 176.152 175.800 0.276 0.000 1.029 144 F CA 1.119 59.233 58.000 0.189 0.000 0.907 144 F CB -1.606 37.569 39.000 0.292 0.000 0.893 144 F HN 0.255 nan 8.300 nan 0.000 0.845 145 F N 0.292 120.171 119.950 -0.119 0.000 3.006 145 F HA -0.240 4.287 4.527 -0.000 0.000 0.289 145 F C 1.611 177.405 175.800 -0.010 0.000 0.772 145 F CA 1.455 59.386 58.000 -0.114 0.000 1.162 145 F CB -1.535 37.334 39.000 -0.217 0.000 1.382 145 F HN 1.114 nan 8.300 nan 0.000 0.406 146 G N -0.604 108.281 108.800 0.141 0.000 2.176 146 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.253 146 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.253 146 G C 0.785 175.793 174.900 0.180 0.000 0.979 146 G CA 0.278 45.456 45.100 0.129 0.000 0.641 146 G HN 0.525 nan 8.290 nan 0.000 0.530 147 L N -0.542 120.850 121.223 0.282 0.000 2.416 147 L HA 0.323 4.663 4.340 -0.000 0.000 0.216 147 L C 0.601 177.632 176.870 0.267 0.000 1.098 147 L CA 0.548 55.563 54.840 0.292 0.000 0.840 147 L CB 0.481 42.789 42.059 0.415 0.000 0.981 147 L HN 0.127 nan 8.230 nan 0.000 0.462 148 V N 0.002 120.103 119.914 0.312 0.000 2.398 148 V HA 0.206 4.326 4.120 -0.000 0.000 0.282 148 V C -0.906 175.335 176.094 0.245 0.000 1.014 148 V CA -0.995 61.450 62.300 0.243 0.000 0.838 148 V CB 1.362 33.307 31.823 0.204 0.000 1.018 148 V HN 0.006 nan 8.190 nan 0.000 0.432 149 D N 3.861 124.380 120.400 0.198 0.000 2.520 149 D HA 0.340 4.980 4.640 -0.000 0.000 0.243 149 D C 1.304 177.720 176.300 0.194 0.000 1.160 149 D CA 2.106 56.206 54.000 0.167 0.000 0.877 149 D CB 1.256 42.140 40.800 0.139 0.000 1.150 149 D HN 0.989 nan 8.370 nan 0.000 0.494 150 G N 2.007 110.877 108.800 0.116 0.000 2.217 150 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.246 150 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.246 150 G C 0.172 175.153 174.900 0.135 0.000 0.990 150 G CA 0.049 45.144 45.100 -0.008 0.000 0.627 150 G HN 0.496 nan 8.290 nan 0.000 0.522 151 L N 2.409 123.849 121.223 0.361 0.000 2.255 151 L HA 0.695 5.034 4.340 -0.000 0.000 0.289 151 L C -0.481 176.583 176.870 0.323 0.000 1.046 151 L CA -1.075 54.029 54.840 0.441 0.000 0.816 151 L CB 0.568 42.864 42.059 0.394 0.000 1.197 151 L HN 0.232 nan 8.230 nan 0.000 0.427 152 N N 5.110 123.971 118.700 0.269 0.000 2.312 152 N HA 0.650 5.390 4.740 -0.000 0.000 0.296 152 N C -1.142 174.535 175.510 0.279 0.000 1.193 152 N CA -0.246 52.906 53.050 0.170 0.000 0.773 152 N CB 2.309 40.822 38.487 0.044 0.000 1.435 152 N HN 0.509 nan 8.380 nan 0.000 0.484 153 F N -1.635 118.339 119.950 0.041 0.000 2.711 153 F HA 0.907 5.434 4.527 -0.000 0.000 0.313 153 F C -1.679 174.128 175.800 0.011 0.000 1.141 153 F CA -1.105 56.928 58.000 0.056 0.000 0.941 153 F CB 1.227 40.299 39.000 0.120 0.000 1.349 153 F HN 0.576 nan 8.300 nan 0.000 0.464 154 A N 1.031 123.992 122.820 0.235 0.000 2.594 154 A HA 0.767 5.087 4.320 -0.000 0.000 0.295 154 A C -2.227 175.514 177.584 0.262 0.000 1.071 154 A CA -0.502 51.599 52.037 0.107 0.000 0.685 154 A CB 1.623 20.629 19.000 0.010 0.000 1.285 154 A HN 1.894 nan 8.150 nan 0.000 0.405 155 V N 0.966 121.031 119.914 0.253 0.000 2.789 155 V HA 0.820 4.940 4.120 -0.000 0.000 0.311 155 V C -0.944 175.169 176.094 0.031 0.000 1.073 155 V CA -0.271 62.109 62.300 0.133 0.000 0.921 155 V CB 1.791 33.730 31.823 0.193 0.000 1.009 155 V HN 1.112 nan 8.190 nan 0.000 0.426 156 Q N 4.206 123.913 119.800 -0.155 0.000 2.331 156 Q HA 0.512 4.852 4.340 -0.000 0.000 0.272 156 Q C -2.323 173.563 176.000 -0.189 0.000 1.062 156 Q CA -0.652 55.119 55.803 -0.052 0.000 0.806 156 Q CB 2.403 31.205 28.738 0.106 0.000 1.312 156 Q HN 0.805 nan 8.270 nan 0.000 0.431 157 Y N 2.605 123.074 120.300 0.282 0.000 2.334 157 Y HA 0.399 4.949 4.550 -0.000 0.000 0.336 157 Y C -0.485 175.566 175.900 0.252 0.000 0.960 157 Y CA -0.813 57.451 58.100 0.272 0.000 1.164 157 Y CB 1.416 40.021 38.460 0.242 0.000 1.155 157 Y HN 0.519 nan 8.280 nan 0.000 0.478 158 L N 3.884 125.314 121.223 0.344 0.000 2.264 158 L HA 0.749 5.088 4.340 -0.000 0.000 0.289 158 L C 0.344 177.309 176.870 0.158 0.000 1.044 158 L CA -0.112 54.823 54.840 0.159 0.000 0.807 158 L CB 0.716 42.737 42.059 -0.063 0.000 1.192 158 L HN 0.711 nan 8.230 nan 0.000 0.425 159 G N 3.863 112.746 108.800 0.138 0.000 2.420 159 G HA2 0.211 4.171 3.960 -0.000 0.000 0.284 159 G HA3 0.211 4.171 3.960 -0.000 0.000 0.284 159 G C -0.685 174.247 174.900 0.054 0.000 1.177 159 G CA -0.728 44.449 45.100 0.127 0.000 0.841 159 G HN 0.834 nan 8.290 nan 0.000 0.527 160 K N 1.364 121.794 120.400 0.050 0.000 2.489 160 K HA -0.007 4.312 4.320 -0.000 0.000 0.278 160 K C -0.682 175.911 176.600 -0.012 0.000 1.000 160 K CA 0.169 56.465 56.287 0.013 0.000 1.012 160 K CB 0.188 32.704 32.500 0.027 0.000 0.903 160 K HN 0.408 nan 8.250 nan 0.000 0.485 161 N N 4.402 123.068 118.700 -0.056 0.000 2.573 161 N HA 0.105 4.845 4.740 -0.000 0.000 0.262 161 N C -1.503 173.965 175.510 -0.071 0.000 1.029 161 N CA -0.402 52.608 53.050 -0.068 0.000 0.882 161 N CB 1.623 40.043 38.487 -0.112 0.000 1.204 161 N HN 0.577 nan 8.380 nan 0.000 0.519 162 E N 2.158 122.334 120.200 -0.040 0.000 1.986 162 E HA 0.205 4.555 4.350 -0.000 0.000 0.264 162 E C 0.015 176.597 176.600 -0.031 0.000 1.023 162 E CA -0.234 56.146 56.400 -0.033 0.000 0.834 162 E CB 1.247 30.938 29.700 -0.015 0.000 1.111 162 E HN 0.213 nan 8.360 nan 0.000 0.417 163 R N 1.198 121.674 120.500 -0.041 0.000 2.549 163 R HA 0.177 4.517 4.340 -0.000 0.000 0.259 163 R C 0.514 176.800 176.300 -0.023 0.000 1.095 163 R CA -0.741 55.337 56.100 -0.036 0.000 1.148 163 R CB 0.689 30.958 30.300 -0.051 0.000 1.181 163 R HN 0.350 nan 8.270 nan 0.000 0.571 164 D N 0.198 120.586 120.400 -0.020 0.000 2.378 164 D HA -0.043 4.597 4.640 -0.000 0.000 0.222 164 D C -0.023 176.270 176.300 -0.011 0.000 0.980 164 D CA 1.277 55.270 54.000 -0.013 0.000 0.907 164 D CB 0.224 41.017 40.800 -0.012 0.000 0.899 164 D HN 0.284 nan 8.370 nan 0.000 0.527 165 T N -0.322 114.223 114.554 -0.015 0.000 2.841 165 T HA 0.443 4.793 4.350 -0.000 0.000 0.283 165 T C 1.014 175.720 174.700 0.010 0.000 1.000 165 T CA -0.541 61.553 62.100 -0.009 0.000 0.977 165 T CB 2.253 71.107 68.868 -0.023 0.000 0.979 165 T HN -0.097 nan 8.240 nan 0.000 0.446 166 A N 3.150 125.996 122.820 0.043 0.000 1.972 166 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 166 A C 2.152 179.857 177.584 0.202 0.000 1.169 166 A CA 1.662 53.772 52.037 0.122 0.000 0.635 166 A CB -0.390 18.715 19.000 0.175 0.000 0.810 166 A HN 0.702 nan 8.150 nan 0.000 0.446 167 R N -0.316 120.240 120.500 0.093 0.000 2.115 167 R HA -0.008 4.332 4.340 -0.000 0.000 0.230 167 R C 1.385 177.701 176.300 0.027 0.000 1.111 167 R CA 1.297 57.432 56.100 0.059 0.000 0.976 167 R CB -0.121 30.128 30.300 -0.085 0.000 0.870 167 R HN 0.306 nan 8.270 nan 0.000 0.445 168 R N 0.051 120.535 120.500 -0.027 0.000 2.468 168 R HA 0.323 4.663 4.340 -0.000 0.000 0.280 168 R C -0.287 175.934 176.300 -0.131 0.000 0.963 168 R CA 0.012 56.062 56.100 -0.084 0.000 1.083 168 R CB 0.713 30.968 30.300 -0.074 0.000 1.200 168 R HN 0.056 nan 8.270 nan 0.000 0.541 169 S N 1.864 117.485 115.700 -0.132 0.000 2.718 169 S HA 0.514 4.983 4.470 -0.000 0.000 0.300 169 S C -0.041 174.338 174.600 -0.369 0.000 1.117 169 S CA -0.750 57.342 58.200 -0.180 0.000 1.002 169 S CB 1.870 65.016 63.200 -0.089 0.000 1.092 169 S HN 0.418 nan 8.310 nan 0.000 0.542 170 N N -0.522 117.987 118.700 -0.319 0.000 2.935 170 N HA 0.314 5.054 4.740 -0.000 0.000 0.248 170 N C -0.663 174.782 175.510 -0.107 0.000 1.276 170 N CA -0.868 51.946 53.050 -0.392 0.000 0.906 170 N CB 0.993 39.061 38.487 -0.698 0.000 1.564 170 N HN 0.648 nan 8.380 nan 0.000 0.500 171 G N -0.162 108.667 108.800 0.048 0.000 2.568 171 G HA2 0.335 4.295 3.960 -0.000 0.000 0.293 171 G HA3 0.335 4.295 3.960 -0.000 0.000 0.293 171 G C -0.558 174.394 174.900 0.087 0.000 1.347 171 G CA -0.459 44.681 45.100 0.066 0.000 1.039 171 G HN 0.645 nan 8.290 nan 0.000 0.523 172 D N -0.493 119.966 120.400 0.098 0.000 2.362 172 D HA 0.492 5.132 4.640 -0.000 0.000 0.242 172 D C 0.478 176.888 176.300 0.184 0.000 1.132 172 D CA 0.814 54.893 54.000 0.131 0.000 0.907 172 D CB 1.499 42.377 40.800 0.130 0.000 1.195 172 D HN 0.635 nan 8.370 nan 0.000 0.429 173 G N -0.982 107.969 108.800 0.252 0.000 2.559 173 G HA2 0.493 4.453 3.960 -0.000 0.000 0.291 173 G HA3 0.493 4.453 3.960 -0.000 0.000 0.291 173 G C -1.660 173.508 174.900 0.447 0.000 1.424 173 G CA -0.493 44.822 45.100 0.358 0.000 0.786 173 G HN 0.353 nan 8.290 nan 0.000 0.485 174 V N -0.750 119.372 119.914 0.347 0.000 2.925 174 V HA 0.976 5.096 4.120 -0.000 0.000 0.311 174 V C 0.480 176.408 176.094 -0.277 0.000 1.104 174 V CA 0.140 62.482 62.300 0.069 0.000 0.954 174 V CB 1.995 33.824 31.823 0.010 0.000 1.022 174 V HN 1.595 nan 8.190 nan 0.000 0.427 175 G N 0.548 109.097 108.800 -0.418 0.000 2.690 175 G HA2 0.833 4.792 3.960 -0.000 0.000 0.291 175 G HA3 0.833 4.792 3.960 -0.000 0.000 0.291 175 G C -0.775 173.977 174.900 -0.246 0.000 1.403 175 G CA -0.136 44.599 45.100 -0.608 0.000 0.864 175 G HN 1.187 nan 8.290 nan 0.000 0.480 176 G N -1.079 107.646 108.800 -0.126 0.000 2.684 176 G HA2 0.851 4.811 3.960 -0.000 0.000 0.290 176 G HA3 0.851 4.811 3.960 -0.000 0.000 0.290 176 G C -0.784 174.150 174.900 0.056 0.000 1.425 176 G CA 0.282 45.391 45.100 0.015 0.000 0.822 176 G HN 1.765 nan 8.290 nan 0.000 0.482 177 S N -1.175 114.592 115.700 0.112 0.000 2.550 177 S HA 0.796 5.266 4.470 -0.000 0.000 0.270 177 S C -1.294 173.403 174.600 0.163 0.000 1.145 177 S CA -0.783 57.480 58.200 0.106 0.000 0.852 177 S CB 1.709 64.950 63.200 0.068 0.000 1.119 177 S HN 0.779 nan 8.310 nan 0.000 0.465 178 I N 2.150 122.801 120.570 0.135 0.000 2.569 178 I HA 0.639 4.809 4.170 -0.000 0.000 0.290 178 I C -0.477 175.725 176.117 0.142 0.000 1.088 178 I CA -0.524 60.879 61.300 0.172 0.000 1.047 178 I CB 2.437 40.510 38.000 0.122 0.000 1.237 178 I HN 0.953 nan 8.210 nan 0.000 0.421 179 S N 4.864 120.670 115.700 0.178 0.000 2.595 179 S HA 0.729 5.199 4.470 -0.000 0.000 0.281 179 S C -1.574 173.192 174.600 0.277 0.000 1.117 179 S CA -0.709 57.599 58.200 0.179 0.000 0.873 179 S CB 2.520 65.795 63.200 0.126 0.000 1.108 179 S HN 0.560 nan 8.310 nan 0.000 0.477 180 Y N 0.443 120.817 120.300 0.124 0.000 2.433 180 Y HA 0.551 5.101 4.550 -0.001 0.000 0.337 180 Y C -1.344 174.654 175.900 0.163 0.000 1.026 180 Y CA -0.606 57.573 58.100 0.131 0.000 1.037 180 Y CB 1.886 40.410 38.460 0.108 0.000 1.245 180 Y HN 0.899 nan 8.280 nan 0.000 0.443 181 E N 5.871 125.759 120.200 -0.521 0.000 2.220 181 E HA 0.178 4.528 4.350 -0.000 0.000 0.256 181 E C -2.124 174.239 176.600 -0.396 0.000 0.881 181 E CA -0.862 55.354 56.400 -0.306 0.000 0.766 181 E CB 2.160 31.779 29.700 -0.135 0.000 1.187 181 E HN 0.523 nan 8.360 nan 0.000 0.419 182 Y N 3.006 123.144 120.300 -0.270 0.000 2.447 182 Y HA 0.129 4.678 4.550 -0.001 0.000 0.325 182 Y C -0.189 175.784 175.900 0.122 0.000 0.976 182 Y CA -1.043 57.001 58.100 -0.094 0.000 1.280 182 Y CB 0.570 39.061 38.460 0.051 0.000 1.104 182 Y HN 0.696 nan 8.280 nan 0.000 0.486 183 E N 4.882 124.753 120.200 -0.548 0.000 2.513 183 E HA -0.249 4.101 4.350 -0.000 0.000 0.156 183 E C 1.027 177.472 176.600 -0.260 0.000 1.740 183 E CA 1.160 57.279 56.400 -0.469 0.000 0.646 183 E CB -1.061 28.180 29.700 -0.765 0.000 1.080 183 E HN 1.339 nan 8.360 nan 0.000 0.345 184 G N 1.713 110.312 108.800 -0.336 0.000 2.304 184 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.252 184 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.252 184 G C 0.073 174.604 174.900 -0.615 0.000 1.014 184 G CA 0.381 45.133 45.100 -0.581 0.000 0.619 184 G HN 0.409 nan 8.290 nan 0.000 0.525 185 F N 1.314 121.225 119.950 -0.066 0.000 2.397 185 F HA 0.643 5.170 4.527 -0.000 0.000 0.331 185 F C 0.931 176.724 175.800 -0.011 0.000 1.090 185 F CA 0.110 58.128 58.000 0.030 0.000 1.065 185 F CB 2.059 41.141 39.000 0.137 0.000 1.184 185 F HN 0.338 nan 8.300 nan 0.000 0.499 186 G N 2.808 111.736 108.800 0.213 0.000 2.731 186 G HA2 0.632 4.592 3.960 -0.000 0.000 0.298 186 G HA3 0.632 4.592 3.960 -0.000 0.000 0.298 186 G C -2.095 173.009 174.900 0.341 0.000 1.424 186 G CA -0.527 44.693 45.100 0.201 0.000 1.029 186 G HN 0.714 nan 8.290 nan 0.000 0.518 187 I N 1.491 122.257 120.570 0.328 0.000 2.769 187 I HA 0.775 4.945 4.170 -0.000 0.000 0.298 187 I C -1.089 175.138 176.117 0.184 0.000 1.128 187 I CA -1.050 60.417 61.300 0.279 0.000 1.031 187 I CB 2.371 40.513 38.000 0.236 0.000 1.235 187 I HN 0.397 nan 8.210 nan 0.000 0.423 188 V N 3.940 123.886 119.914 0.052 0.000 3.087 188 V HA 0.842 4.962 4.120 -0.000 0.000 0.306 188 V C -0.230 175.864 176.094 -0.000 0.000 1.187 188 V CA -0.593 61.692 62.300 -0.024 0.000 0.999 188 V CB 1.580 33.254 31.823 -0.249 0.000 1.049 188 V HN 0.896 nan 8.190 nan 0.000 0.431 189 G N 0.714 109.536 108.800 0.038 0.000 2.643 189 G HA2 0.873 4.833 3.960 -0.000 0.000 0.305 189 G HA3 0.873 4.833 3.960 -0.000 0.000 0.305 189 G C -0.917 174.036 174.900 0.088 0.000 1.387 189 G CA -0.152 44.998 45.100 0.084 0.000 0.982 189 G HN 1.351 nan 8.290 nan 0.000 0.501 190 A N 1.452 124.353 122.820 0.134 0.000 2.475 190 A HA 0.900 5.220 4.320 -0.000 0.000 0.301 190 A C -1.830 175.890 177.584 0.227 0.000 1.059 190 A CA -0.791 51.317 52.037 0.119 0.000 0.710 190 A CB 1.993 21.020 19.000 0.045 0.000 1.288 190 A HN 1.568 nan 8.150 nan 0.000 0.408 191 Y N 0.121 120.419 120.300 -0.005 0.000 2.558 191 Y HA 0.593 5.143 4.550 -0.000 0.000 0.333 191 Y C -0.270 175.491 175.900 -0.232 0.000 1.125 191 Y CA 0.133 58.224 58.100 -0.015 0.000 1.039 191 Y CB 1.793 40.257 38.460 0.006 0.000 1.331 191 Y HN 1.337 nan 8.280 nan 0.000 0.456 192 G N 2.138 110.220 108.800 -1.197 0.000 2.759 192 G HA2 0.748 4.708 3.960 -0.000 0.000 0.297 192 G HA3 0.748 4.708 3.960 -0.000 0.000 0.297 192 G C -2.219 172.114 174.900 -0.944 0.000 1.434 192 G CA -0.318 43.998 45.100 -1.307 0.000 0.980 192 G HN 1.079 nan 8.290 nan 0.000 0.531 193 A N -0.118 122.437 122.820 -0.442 0.000 2.435 193 A HA 1.080 5.399 4.320 -0.000 0.000 0.304 193 A C -0.132 177.550 177.584 0.164 0.000 1.064 193 A CA -0.007 51.965 52.037 -0.107 0.000 0.727 193 A CB 1.844 20.830 19.000 -0.023 0.000 1.284 193 A HN 2.419 nan 8.150 nan 0.000 0.415 194 A N 1.064 123.932 122.820 0.080 0.000 2.602 194 A HA 0.724 5.044 4.320 -0.000 0.000 0.290 194 A C -1.595 176.016 177.584 0.045 0.000 1.114 194 A CA -0.670 51.452 52.037 0.141 0.000 0.683 194 A CB 0.940 20.101 19.000 0.267 0.000 1.281 194 A HN 0.673 nan 8.150 nan 0.000 0.416 195 D N 1.010 121.478 120.400 0.114 0.000 2.302 195 D HA 0.422 5.062 4.640 -0.000 0.000 0.248 195 D C -0.016 176.360 176.300 0.127 0.000 1.094 195 D CA 0.295 54.343 54.000 0.081 0.000 0.897 195 D CB 0.808 41.655 40.800 0.078 0.000 1.200 195 D HN 0.406 nan 8.370 nan 0.000 0.429 196 R N 0.342 120.876 120.500 0.058 0.000 2.404 196 R HA 0.377 4.716 4.340 -0.000 0.000 0.291 196 R C 0.523 176.847 176.300 0.040 0.000 1.025 196 R CA -0.649 55.494 56.100 0.071 0.000 0.991 196 R CB 0.978 31.258 30.300 -0.033 0.000 1.053 196 R HN 0.439 nan 8.270 nan 0.000 0.479 197 T N -0.821 113.749 114.554 0.027 0.000 2.788 197 T HA 0.071 4.421 4.350 -0.000 0.000 0.287 197 T C 1.128 175.836 174.700 0.014 0.000 1.007 197 T CA -0.827 61.281 62.100 0.014 0.000 1.005 197 T CB 0.679 69.546 68.868 -0.002 0.000 1.012 197 T HN 0.375 nan 8.240 nan 0.000 0.530 198 N N -0.094 118.615 118.700 0.015 0.000 2.061 198 N HA -0.106 4.634 4.740 -0.000 0.000 0.193 198 N C 1.630 177.155 175.510 0.024 0.000 1.030 198 N CA 0.887 53.948 53.050 0.018 0.000 0.856 198 N CB -0.795 37.702 38.487 0.016 0.000 1.023 198 N HN 0.549 nan 8.380 nan 0.000 0.424 199 L N 1.776 123.014 121.223 0.025 0.000 2.046 199 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 199 L C 2.111 179.019 176.870 0.063 0.000 1.077 199 L CA 1.595 56.457 54.840 0.036 0.000 0.747 199 L CB -0.752 41.324 42.059 0.028 0.000 0.896 199 L HN 0.196 nan 8.230 nan 0.000 0.432 200 Q N -0.744 119.093 119.800 0.062 0.000 2.084 200 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 200 Q C 2.062 178.112 176.000 0.083 0.000 0.978 200 Q CA 1.838 57.700 55.803 0.097 0.000 0.844 200 Q CB -0.118 28.602 28.738 -0.029 0.000 0.898 200 Q HN 0.615 nan 8.270 nan 0.000 0.426 201 E N 0.141 120.364 120.200 0.039 0.000 2.204 201 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 201 E C 1.508 178.137 176.600 0.048 0.000 0.989 201 E CA 0.754 57.175 56.400 0.036 0.000 0.824 201 E CB -0.000 29.712 29.700 0.020 0.000 0.756 201 E HN 0.276 nan 8.360 nan 0.000 0.477 202 A N 1.099 123.948 122.820 0.049 0.000 2.235 202 A HA -0.046 4.274 4.320 -0.000 0.000 0.208 202 A C 0.834 178.449 177.584 0.052 0.000 1.172 202 A CA 0.247 52.310 52.037 0.043 0.000 0.786 202 A CB 0.069 19.090 19.000 0.035 0.000 0.804 202 A HN 0.029 nan 8.150 nan 0.000 0.479 203 Q N -0.351 119.496 119.800 0.078 0.000 2.354 203 Q HA 0.226 4.566 4.340 -0.000 0.000 0.244 203 Q C -1.609 174.430 176.000 0.066 0.000 0.969 203 Q CA -1.920 53.933 55.803 0.084 0.000 0.885 203 Q CB 0.262 29.089 28.738 0.149 0.000 1.241 203 Q HN 0.146 nan 8.270 nan 0.000 0.461 204 P HA -0.042 nan 4.420 nan 0.000 0.216 204 P C -0.104 177.219 177.300 0.039 0.000 1.153 204 P CA 1.045 64.165 63.100 0.033 0.000 0.844 204 P CB 0.314 32.025 31.700 0.018 0.000 0.787 205 L N -0.971 120.277 121.223 0.042 0.000 2.322 205 L HA 0.618 4.958 4.340 -0.000 0.000 0.279 205 L C 0.477 177.406 176.870 0.099 0.000 1.036 205 L CA -0.405 54.463 54.840 0.047 0.000 0.807 205 L CB 0.929 42.994 42.059 0.009 0.000 1.226 205 L HN 0.103 nan 8.230 nan 0.000 0.433 206 G N 1.960 110.813 108.800 0.088 0.000 3.039 206 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 206 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 206 G C -1.292 173.652 174.900 0.073 0.000 1.066 206 G CA -0.859 44.305 45.100 0.106 0.000 0.774 206 G HN 0.657 nan 8.290 nan 0.000 0.591 207 N N 0.994 119.721 118.700 0.045 0.000 2.504 207 N HA 0.826 5.566 4.740 -0.000 0.000 0.280 207 N C 0.303 175.820 175.510 0.011 0.000 1.052 207 N CA 0.994 54.061 53.050 0.028 0.000 0.887 207 N CB 1.583 40.087 38.487 0.028 0.000 1.323 207 N HN 1.857 nan 8.380 nan 0.000 0.509 208 G N 1.512 110.311 108.800 -0.001 0.000 2.320 208 G HA2 0.243 4.203 3.960 -0.000 0.000 0.296 208 G HA3 0.243 4.203 3.960 -0.000 0.000 0.296 208 G C -0.947 173.939 174.900 -0.022 0.000 1.306 208 G CA -0.601 44.490 45.100 -0.014 0.000 0.836 208 G HN 0.346 nan 8.290 nan 0.000 0.517 209 K N -0.736 119.649 120.400 -0.025 0.000 2.533 209 K HA 0.332 4.652 4.320 -0.000 0.000 0.202 209 K C -0.223 176.357 176.600 -0.032 0.000 1.096 209 K CA -0.153 56.122 56.287 -0.020 0.000 1.056 209 K CB 1.288 33.787 32.500 -0.002 0.000 0.890 209 K HN 0.226 nan 8.250 nan 0.000 0.552 210 K N 1.032 121.395 120.400 -0.063 0.000 2.525 210 K HA 0.540 4.860 4.320 -0.000 0.000 0.254 210 K C -1.903 174.588 176.600 -0.182 0.000 0.934 210 K CA -0.385 55.849 56.287 -0.087 0.000 0.802 210 K CB 2.076 34.555 32.500 -0.036 0.000 1.295 210 K HN 0.065 nan 8.250 nan 0.000 0.433 211 A N 3.289 125.910 122.820 -0.331 0.000 2.303 211 A HA 0.640 4.960 4.320 -0.000 0.000 0.320 211 A C -1.064 176.291 177.584 -0.382 0.000 1.192 211 A CA -0.511 51.203 52.037 -0.538 0.000 0.821 211 A CB 0.628 18.822 19.000 -1.342 0.000 1.188 211 A HN 0.744 nan 8.150 nan 0.000 0.492 212 E N 1.048 121.105 120.200 -0.239 0.000 2.277 212 E HA 0.611 4.961 4.350 -0.000 0.000 0.266 212 E C -1.304 175.231 176.600 -0.108 0.000 0.901 212 E CA -0.674 55.636 56.400 -0.151 0.000 0.782 212 E CB 2.230 31.939 29.700 0.015 0.000 1.228 212 E HN 0.699 nan 8.360 nan 0.000 0.424 213 Q N 2.005 121.730 119.800 -0.125 0.000 2.327 213 Q HA 0.370 4.710 4.340 -0.000 0.000 0.265 213 Q C -1.638 174.356 176.000 -0.010 0.000 0.993 213 Q CA -0.856 54.907 55.803 -0.068 0.000 0.885 213 Q CB 2.165 30.900 28.738 -0.005 0.000 1.379 213 Q HN 0.595 nan 8.270 nan 0.000 0.408 214 W N 0.985 122.271 121.300 -0.023 0.000 3.217 214 W HA 0.910 5.569 4.660 -0.000 0.000 0.323 214 W C -2.040 174.473 176.519 -0.010 0.000 1.216 214 W CA -0.964 56.409 57.345 0.046 0.000 1.194 214 W CB 0.867 30.475 29.460 0.246 0.000 1.397 214 W HN 0.771 nan 8.180 nan 0.000 0.537 215 A N 2.174 125.035 122.820 0.069 0.000 2.549 215 A HA 0.824 5.143 4.320 -0.000 0.000 0.297 215 A C -0.636 177.021 177.584 0.122 0.000 1.061 215 A CA -0.522 51.430 52.037 -0.142 0.000 0.690 215 A CB 1.621 20.510 19.000 -0.185 0.000 1.287 215 A HN 0.810 nan 8.150 nan 0.000 0.402 216 T N -0.996 113.632 114.554 0.123 0.000 2.932 216 T HA 0.892 5.242 4.350 -0.000 0.000 0.289 216 T C 0.064 174.776 174.700 0.020 0.000 1.039 216 T CA -0.257 61.933 62.100 0.151 0.000 1.024 216 T CB 1.953 71.001 68.868 0.300 0.000 1.090 216 T HN 1.911 nan 8.240 nan 0.000 0.496 217 G N 0.210 108.978 108.800 -0.054 0.000 2.696 217 G HA2 0.673 4.633 3.960 -0.000 0.000 0.295 217 G HA3 0.673 4.633 3.960 -0.000 0.000 0.295 217 G C -2.087 172.906 174.900 0.156 0.000 1.398 217 G CA -0.890 44.166 45.100 -0.074 0.000 0.920 217 G HN 0.877 nan 8.290 nan 0.000 0.492 218 L N 0.463 121.910 121.223 0.373 0.000 2.482 218 L HA 0.731 5.071 4.340 -0.000 0.000 0.263 218 L C -0.720 176.305 176.870 0.258 0.000 0.957 218 L CA -0.781 54.268 54.840 0.348 0.000 0.836 218 L CB 2.661 44.844 42.059 0.207 0.000 1.324 218 L HN 0.860 nan 8.230 nan 0.000 0.406 219 K N 1.973 122.439 120.400 0.110 0.000 2.556 219 K HA 0.524 4.844 4.320 -0.000 0.000 0.274 219 K C -1.973 174.543 176.600 -0.140 0.000 0.966 219 K CA -0.927 55.234 56.287 -0.210 0.000 0.865 219 K CB 2.156 34.229 32.500 -0.711 0.000 1.444 219 K HN 0.306 nan 8.250 nan 0.000 0.433 220 Y N 1.595 121.652 120.300 -0.405 0.000 2.326 220 Y HA 0.397 4.947 4.550 0.000 0.000 0.329 220 Y C -1.691 173.909 175.900 -0.500 0.000 0.973 220 Y CA -0.990 56.827 58.100 -0.472 0.000 1.162 220 Y CB 1.836 40.068 38.460 -0.381 0.000 1.147 220 Y HN 0.844 nan 8.280 nan 0.000 0.456 221 D N 5.317 125.050 120.400 -1.111 0.000 2.378 221 D HA 0.680 5.320 4.640 -0.000 0.000 0.265 221 D C -1.453 174.357 176.300 -0.817 0.000 1.229 221 D CA 0.120 53.674 54.000 -0.743 0.000 0.914 221 D CB 0.490 41.051 40.800 -0.397 0.000 1.140 221 D HN 0.821 nan 8.370 nan 0.000 0.516 222 A N 2.732 125.035 122.820 -0.861 0.000 2.549 222 A HA 0.528 4.848 4.320 -0.000 0.000 0.291 222 A C -0.202 177.206 177.584 -0.293 0.000 1.034 222 A CA -0.608 51.098 52.037 -0.551 0.000 0.655 222 A CB 0.271 18.921 19.000 -0.582 0.000 1.299 222 A HN 0.427 nan 8.150 nan 0.000 0.427 223 N N 1.234 119.831 118.700 -0.172 0.000 2.735 223 N HA -0.218 4.521 4.740 -0.000 0.000 0.248 223 N C 0.315 175.740 175.510 -0.141 0.000 1.083 223 N CA 0.715 53.714 53.050 -0.086 0.000 0.703 223 N CB -0.907 37.600 38.487 0.033 0.000 1.005 223 N HN 0.801 nan 8.380 nan 0.000 0.550 224 N N -2.336 116.211 118.700 -0.255 0.000 2.900 224 N HA -0.199 4.541 4.740 -0.000 0.000 0.240 224 N C -0.474 174.773 175.510 -0.439 0.000 0.953 224 N CA 1.637 54.418 53.050 -0.449 0.000 0.950 224 N CB -0.968 37.087 38.487 -0.720 0.000 1.102 224 N HN 0.591 nan 8.380 nan 0.000 0.593 225 I N 0.104 120.573 120.570 -0.167 0.000 2.437 225 I HA 0.317 4.487 4.170 -0.000 0.000 0.298 225 I C -0.266 175.847 176.117 -0.007 0.000 0.984 225 I CA -0.803 60.503 61.300 0.010 0.000 1.214 225 I CB 1.311 39.426 38.000 0.192 0.000 1.365 225 I HN -0.038 nan 8.210 nan 0.000 0.469 226 Y N 6.810 127.067 120.300 -0.071 0.000 2.373 226 Y HA 0.592 5.142 4.550 0.000 0.000 0.327 226 Y C -1.571 174.311 175.900 -0.029 0.000 1.036 226 Y CA -0.564 57.471 58.100 -0.108 0.000 1.265 226 Y CB 0.975 39.351 38.460 -0.140 0.000 1.108 226 Y HN 0.370 nan 8.280 nan 0.000 0.471 227 L N 5.543 126.504 121.223 -0.436 0.000 2.346 227 L HA 1.002 5.342 4.340 -0.000 0.000 0.276 227 L C -0.604 175.994 176.870 -0.453 0.000 1.006 227 L CA -1.033 53.658 54.840 -0.247 0.000 0.817 227 L CB 1.914 43.938 42.059 -0.058 0.000 1.272 227 L HN 0.701 nan 8.230 nan 0.000 0.421 228 A N 2.460 125.136 122.820 -0.240 0.000 2.549 228 A HA 0.963 5.283 4.320 -0.000 0.000 0.297 228 A C -1.454 176.152 177.584 0.036 0.000 1.061 228 A CA -0.383 51.557 52.037 -0.162 0.000 0.690 228 A CB 2.051 20.954 19.000 -0.161 0.000 1.287 228 A HN 0.795 nan 8.150 nan 0.000 0.402 229 A N 1.452 124.337 122.820 0.108 0.000 2.488 229 A HA 0.806 5.126 4.320 -0.000 0.000 0.298 229 A C -0.910 176.761 177.584 0.145 0.000 1.044 229 A CA -0.572 51.536 52.037 0.118 0.000 0.693 229 A CB 1.238 20.300 19.000 0.102 0.000 1.272 229 A HN 0.868 nan 8.150 nan 0.000 0.402 230 N N -0.273 118.490 118.700 0.106 0.000 2.262 230 N HA 0.686 5.426 4.740 -0.000 0.000 0.295 230 N C -1.839 173.729 175.510 0.096 0.000 1.161 230 N CA -0.372 52.719 53.050 0.068 0.000 0.767 230 N CB 2.242 40.726 38.487 -0.005 0.000 1.499 230 N HN 0.659 nan 8.380 nan 0.000 0.476 231 Y N 0.254 120.515 120.300 -0.064 0.000 2.441 231 Y HA 0.672 5.222 4.550 0.000 0.000 0.334 231 Y C -0.829 174.906 175.900 -0.275 0.000 1.061 231 Y CA -0.463 57.571 58.100 -0.111 0.000 1.032 231 Y CB 1.461 39.903 38.460 -0.030 0.000 1.266 231 Y HN 0.594 nan 8.280 nan 0.000 0.441 232 G N 3.933 112.012 108.800 -1.202 0.000 2.684 232 G HA2 0.633 4.593 3.960 -0.000 0.000 0.290 232 G HA3 0.633 4.593 3.960 -0.000 0.000 0.290 232 G C -1.867 172.245 174.900 -1.313 0.000 1.425 232 G CA -0.931 43.400 45.100 -1.281 0.000 0.822 232 G HN 0.558 nan 8.290 nan 0.000 0.482 233 E N -1.271 118.154 120.200 -1.293 0.000 2.433 233 E HA 0.749 5.099 4.350 -0.000 0.000 0.273 233 E C -0.864 175.473 176.600 -0.439 0.000 0.950 233 E CA -0.912 55.070 56.400 -0.696 0.000 0.796 233 E CB 2.779 32.230 29.700 -0.415 0.000 1.330 233 E HN 0.750 nan 8.360 nan 0.000 0.455 234 T N -1.111 113.332 114.554 -0.184 0.000 2.853 234 T HA 0.628 4.978 4.350 -0.000 0.000 0.311 234 T C -1.267 173.420 174.700 -0.022 0.000 1.307 234 T CA -1.172 60.876 62.100 -0.087 0.000 1.019 234 T CB 1.470 70.296 68.868 -0.070 0.000 1.264 234 T HN 0.219 nan 8.240 nan 0.000 0.497 235 R N 1.947 122.435 120.500 -0.020 0.000 2.532 235 R HA 0.489 4.828 4.340 -0.000 0.000 0.297 235 R C -0.194 176.071 176.300 -0.058 0.000 0.984 235 R CA -0.804 55.289 56.100 -0.012 0.000 0.884 235 R CB 0.917 31.224 30.300 0.012 0.000 1.182 235 R HN 0.926 nan 8.270 nan 0.000 0.442 236 N N 1.085 119.772 118.700 -0.021 0.000 2.710 236 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 236 N C 0.168 175.614 175.510 -0.106 0.000 1.059 236 N CA 1.303 54.336 53.050 -0.028 0.000 0.720 236 N CB -0.446 37.985 38.487 -0.094 0.000 0.983 236 N HN 0.782 nan 8.380 nan 0.000 0.544 237 A N -1.390 121.428 122.820 -0.004 0.000 2.066 237 A HA 0.149 4.469 4.320 -0.000 0.000 0.198 237 A C 0.863 178.644 177.584 0.328 0.000 1.405 237 A CA 0.425 52.482 52.037 0.033 0.000 0.973 237 A CB 0.352 19.292 19.000 -0.099 0.000 1.026 237 A HN 0.188 nan 8.150 nan 0.000 0.474 238 T N 4.313 118.971 114.554 0.174 0.000 2.779 238 T HA 0.385 4.735 4.350 -0.000 0.000 0.296 238 T C -2.670 171.969 174.700 -0.101 0.000 0.938 238 T CA -0.697 61.387 62.100 -0.027 0.000 1.119 238 T CB 0.959 69.794 68.868 -0.055 0.000 0.891 238 T HN 0.240 nan 8.240 nan 0.000 0.526 239 P HA 0.396 nan 4.420 nan 0.000 0.281 239 P C -0.647 176.396 177.300 -0.429 0.000 1.252 239 P CA -0.446 62.277 63.100 -0.628 0.000 0.778 239 P CB 0.515 31.848 31.700 -0.611 0.000 0.895 240 I N -0.731 119.619 120.570 -0.366 0.000 2.865 240 I HA 0.691 4.861 4.170 -0.000 0.000 0.302 240 I C -1.070 174.925 176.117 -0.203 0.000 1.140 240 I CA -0.826 60.342 61.300 -0.219 0.000 1.021 240 I CB 2.667 40.583 38.000 -0.140 0.000 1.233 240 I HN 0.055 nan 8.210 nan 0.000 0.427 241 T N 2.638 117.098 114.554 -0.156 0.000 2.881 241 T HA 0.307 4.657 4.350 -0.000 0.000 0.290 241 T C -0.661 173.957 174.700 -0.137 0.000 1.000 241 T CA -0.492 61.523 62.100 -0.141 0.000 0.978 241 T CB 1.259 70.045 68.868 -0.136 0.000 0.997 241 T HN 0.644 nan 8.240 nan 0.000 0.443 242 N N 2.233 120.864 118.700 -0.116 0.000 2.406 242 N HA 0.164 4.904 4.740 -0.000 0.000 0.251 242 N C 0.938 176.339 175.510 -0.182 0.000 1.069 242 N CA -0.256 52.713 53.050 -0.135 0.000 0.947 242 N CB 0.836 39.296 38.487 -0.045 0.000 1.111 242 N HN 0.505 nan 8.380 nan 0.000 0.497 243 K N 2.525 122.719 120.400 -0.344 0.000 2.283 243 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 243 K C 0.839 177.309 176.600 -0.218 0.000 1.048 243 K CA 1.151 57.246 56.287 -0.320 0.000 0.948 243 K CB 0.048 32.307 32.500 -0.402 0.000 0.742 243 K HN 0.416 nan 8.250 nan 0.000 0.458 244 F N 0.697 120.643 119.950 -0.006 0.000 2.074 244 F HA -0.132 4.395 4.527 -0.000 0.000 0.293 244 F C 2.841 178.638 175.800 -0.004 0.000 1.116 244 F CA 1.413 59.411 58.000 -0.003 0.000 1.212 244 F CB -1.368 37.632 39.000 -0.000 0.000 0.998 244 F HN 0.052 nan 8.300 nan 0.000 0.471 245 T N -3.187 111.474 114.554 0.179 0.000 3.067 245 T HA 0.033 4.382 4.350 -0.000 0.000 0.261 245 T C 0.662 175.387 174.700 0.041 0.000 1.110 245 T CA 0.690 62.847 62.100 0.095 0.000 1.113 245 T CB -0.899 68.016 68.868 0.078 0.000 0.917 245 T HN 0.407 nan 8.240 nan 0.000 0.499 246 N N 0.563 119.270 118.700 0.011 0.000 2.776 246 N HA -0.127 4.613 4.740 -0.000 0.000 0.249 246 N C -0.795 174.702 175.510 -0.023 0.000 1.111 246 N CA 0.598 53.639 53.050 -0.016 0.000 0.711 246 N CB -1.547 36.939 38.487 -0.003 0.000 1.065 246 N HN 0.419 nan 8.380 nan 0.000 0.556 247 T N -0.077 114.462 114.554 -0.025 0.000 2.934 247 T HA 0.677 5.027 4.350 -0.000 0.000 0.283 247 T C 0.107 174.772 174.700 -0.059 0.000 1.005 247 T CA -0.223 61.860 62.100 -0.027 0.000 1.041 247 T CB 1.634 70.497 68.868 -0.008 0.000 1.042 247 T HN 0.108 nan 8.240 nan 0.000 0.505 248 S N -0.544 115.117 115.700 -0.065 0.000 2.607 248 S HA 0.926 5.396 4.470 -0.000 0.000 0.273 248 S C -0.016 174.515 174.600 -0.116 0.000 1.148 248 S CA -0.428 57.702 58.200 -0.117 0.000 0.833 248 S CB 2.117 65.236 63.200 -0.137 0.000 1.130 248 S HN 1.203 nan 8.310 nan 0.000 0.470 249 G N 0.255 108.915 108.800 -0.233 0.000 2.441 249 G HA2 0.413 4.373 3.960 -0.000 0.000 0.222 249 G HA3 0.413 4.373 3.960 -0.000 0.000 0.222 249 G C -2.358 172.237 174.900 -0.509 0.000 1.254 249 G CA -0.700 44.278 45.100 -0.204 0.000 0.959 249 G HN 0.469 nan 8.290 nan 0.000 0.474 250 F N 1.203 121.136 119.950 -0.028 0.000 2.546 250 F HA 0.769 5.296 4.527 -0.000 0.000 0.320 250 F C 0.822 176.600 175.800 -0.037 0.000 1.076 250 F CA -0.277 57.699 58.000 -0.039 0.000 0.928 250 F CB 2.194 41.184 39.000 -0.016 0.000 1.189 250 F HN 0.730 nan 8.300 nan 0.000 0.465 251 A N 2.271 125.150 122.820 0.098 0.000 2.492 251 A HA 0.166 4.485 4.320 -0.000 0.000 0.254 251 A C 1.154 178.778 177.584 0.067 0.000 1.091 251 A CA -0.372 51.695 52.037 0.051 0.000 0.768 251 A CB -0.043 18.967 19.000 0.017 0.000 1.028 251 A HN 0.854 nan 8.150 nan 0.000 0.498 252 N N 0.732 119.463 118.700 0.052 0.000 2.104 252 N HA -0.090 4.649 4.740 -0.000 0.000 0.190 252 N C 0.485 176.015 175.510 0.033 0.000 1.024 252 N CA 1.329 54.405 53.050 0.043 0.000 0.853 252 N CB -0.007 38.503 38.487 0.037 0.000 1.008 252 N HN 0.632 nan 8.380 nan 0.000 0.424 253 K N 0.254 120.671 120.400 0.029 0.000 2.527 253 K HA 0.270 4.589 4.320 -0.000 0.000 0.260 253 K C -1.243 175.363 176.600 0.009 0.000 0.937 253 K CA -0.258 56.043 56.287 0.023 0.000 0.826 253 K CB 1.935 34.457 32.500 0.035 0.000 1.359 253 K HN 0.165 nan 8.250 nan 0.000 0.434 254 T N -0.418 114.127 114.554 -0.015 0.000 2.900 254 T HA 0.574 4.924 4.350 -0.000 0.000 0.303 254 T C -1.137 173.511 174.700 -0.087 0.000 1.142 254 T CA -0.779 61.300 62.100 -0.036 0.000 1.007 254 T CB 1.827 70.672 68.868 -0.038 0.000 1.156 254 T HN 0.435 nan 8.240 nan 0.000 0.490 255 Q N 1.415 121.165 119.800 -0.084 0.000 2.292 255 Q HA 0.481 4.821 4.340 -0.000 0.000 0.270 255 Q C -1.577 174.324 176.000 -0.165 0.000 1.024 255 Q CA -0.928 54.790 55.803 -0.143 0.000 0.768 255 Q CB 2.031 30.804 28.738 0.059 0.000 1.250 255 Q HN 0.662 nan 8.270 nan 0.000 0.447 256 D N 2.027 122.209 120.400 -0.362 0.000 2.498 256 D HA 0.487 5.127 4.640 -0.000 0.000 0.247 256 D C -0.792 175.389 176.300 -0.198 0.000 1.070 256 D CA -0.442 53.410 54.000 -0.247 0.000 0.842 256 D CB 2.527 43.183 40.800 -0.239 0.000 1.361 256 D HN 0.132 nan 8.370 nan 0.000 0.484 257 V N 1.895 121.767 119.914 -0.070 0.000 2.656 257 V HA 0.547 4.667 4.120 -0.000 0.000 0.307 257 V C -0.736 175.304 176.094 -0.090 0.000 1.051 257 V CA -0.819 61.496 62.300 0.025 0.000 0.893 257 V CB 2.345 34.238 31.823 0.117 0.000 0.999 257 V HN 0.369 nan 8.190 nan 0.000 0.426 258 L N 5.426 126.629 121.223 -0.034 0.000 2.470 258 L HA 0.647 4.987 4.340 -0.000 0.000 0.268 258 L C -0.830 176.057 176.870 0.028 0.000 0.964 258 L CA -0.161 54.641 54.840 -0.063 0.000 0.839 258 L CB 1.773 43.803 42.059 -0.050 0.000 1.276 258 L HN 0.558 nan 8.230 nan 0.000 0.403 259 L N 3.292 124.544 121.223 0.047 0.000 2.370 259 L HA 0.920 5.260 4.340 -0.000 0.000 0.266 259 L C -0.625 176.305 176.870 0.101 0.000 1.002 259 L CA -0.982 53.914 54.840 0.094 0.000 0.818 259 L CB 2.699 44.836 42.059 0.130 0.000 1.325 259 L HN 0.209 nan 8.230 nan 0.000 0.418 260 V N 1.001 120.981 119.914 0.111 0.000 2.891 260 V HA 0.840 4.960 4.120 -0.000 0.000 0.304 260 V C -0.950 175.227 176.094 0.140 0.000 1.171 260 V CA -0.483 61.904 62.300 0.144 0.000 0.943 260 V CB 2.080 34.018 31.823 0.192 0.000 1.037 260 V HN 0.880 nan 8.190 nan 0.000 0.427 261 A N 4.207 127.119 122.820 0.153 0.000 2.408 261 A HA 0.910 5.230 4.320 -0.000 0.000 0.295 261 A C -1.036 176.647 177.584 0.165 0.000 1.040 261 A CA -0.504 51.617 52.037 0.141 0.000 0.707 261 A CB 1.868 20.933 19.000 0.109 0.000 1.235 261 A HN 0.761 nan 8.150 nan 0.000 0.418 262 Q N 0.061 119.972 119.800 0.185 0.000 2.511 262 Q HA 0.606 4.946 4.340 -0.000 0.000 0.289 262 Q C -2.047 174.050 176.000 0.162 0.000 1.021 262 Q CA -0.738 55.163 55.803 0.163 0.000 0.785 262 Q CB 2.908 31.723 28.738 0.128 0.000 1.472 262 Q HN 0.748 nan 8.270 nan 0.000 0.411 263 Y N 0.709 120.988 120.300 -0.034 0.000 2.441 263 Y HA 0.300 4.850 4.550 -0.001 0.000 0.334 263 Y C -1.516 174.254 175.900 -0.216 0.000 1.061 263 Y CA -0.615 57.385 58.100 -0.166 0.000 1.032 263 Y CB 2.175 40.469 38.460 -0.277 0.000 1.266 263 Y HN 0.571 nan 8.280 nan 0.000 0.441 264 Q N 5.452 124.771 119.800 -0.801 0.000 2.430 264 Q HA 0.404 4.744 4.340 -0.000 0.000 0.245 264 Q C -1.781 173.812 176.000 -0.678 0.000 1.021 264 Q CA -0.245 55.235 55.803 -0.538 0.000 0.867 264 Q CB 0.153 28.640 28.738 -0.419 0.000 1.210 264 Q HN 0.556 nan 8.270 nan 0.000 0.487 265 F N 1.853 121.593 119.950 -0.351 0.000 2.496 265 F HA 0.048 4.575 4.527 0.000 0.000 0.344 265 F C 1.405 176.968 175.800 -0.394 0.000 1.155 265 F CA 0.272 58.061 58.000 -0.351 0.000 1.302 265 F CB 0.770 39.307 39.000 -0.771 0.000 1.159 265 F HN 0.609 nan 8.300 nan 0.000 0.595 266 D N 1.592 121.998 120.400 0.010 0.000 2.218 266 D HA -0.193 4.447 4.640 -0.000 0.000 0.204 266 D C 1.865 178.193 176.300 0.047 0.000 0.976 266 D CA 1.367 55.380 54.000 0.021 0.000 0.853 266 D CB -0.183 40.689 40.800 0.119 0.000 0.939 266 D HN 0.504 nan 8.370 nan 0.000 0.481 267 F N -1.638 118.396 119.950 0.141 0.000 2.780 267 F HA 0.377 4.903 4.527 -0.000 0.000 0.299 267 F C 1.570 177.365 175.800 -0.008 0.000 1.146 267 F CA 0.468 58.525 58.000 0.094 0.000 1.428 267 F CB -0.015 39.060 39.000 0.124 0.000 1.115 267 F HN -0.041 nan 8.300 nan 0.000 0.583 268 G N 0.642 109.231 108.800 -0.350 0.000 2.255 268 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.196 268 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.196 268 G C -0.403 174.190 174.900 -0.511 0.000 0.998 268 G CA -0.186 44.622 45.100 -0.486 0.000 0.656 268 G HN 0.422 nan 8.290 nan 0.000 0.490 269 L N 1.978 122.948 121.223 -0.421 0.000 2.281 269 L HA 0.758 5.098 4.340 -0.000 0.000 0.285 269 L C 0.591 177.510 176.870 0.081 0.000 1.074 269 L CA -0.608 54.188 54.840 -0.073 0.000 0.817 269 L CB 0.810 42.910 42.059 0.068 0.000 1.168 269 L HN 0.234 nan 8.230 nan 0.000 0.434 270 R N 7.615 128.175 120.500 0.100 0.000 2.335 270 R HA 0.480 4.820 4.340 -0.000 0.000 0.302 270 R C -2.661 173.728 176.300 0.148 0.000 1.147 270 R CA -1.727 54.447 56.100 0.123 0.000 1.111 270 R CB 0.800 31.180 30.300 0.134 0.000 1.122 270 R HN 0.462 nan 8.270 nan 0.000 0.557 271 P HA 0.055 nan 4.420 nan 0.000 0.274 271 P C -0.949 176.448 177.300 0.162 0.000 1.237 271 P CA -0.217 63.005 63.100 0.203 0.000 0.793 271 P CB 1.630 33.492 31.700 0.269 0.000 0.977 272 S N 1.509 117.298 115.700 0.148 0.000 2.548 272 S HA 0.640 5.110 4.470 -0.000 0.000 0.276 272 S C -1.292 173.398 174.600 0.150 0.000 1.129 272 S CA -0.673 57.609 58.200 0.136 0.000 0.931 272 S CB 0.400 63.665 63.200 0.107 0.000 1.068 272 S HN 0.172 nan 8.310 nan 0.000 0.480 273 I N 3.271 123.933 120.570 0.153 0.000 2.499 273 I HA 0.786 4.956 4.170 -0.000 0.000 0.288 273 I C 0.044 176.265 176.117 0.174 0.000 1.048 273 I CA -0.440 60.960 61.300 0.167 0.000 1.062 273 I CB 1.144 39.236 38.000 0.153 0.000 1.238 273 I HN 0.898 nan 8.210 nan 0.000 0.426 274 A N 5.691 128.631 122.820 0.200 0.000 2.594 274 A HA 0.831 5.151 4.320 -0.000 0.000 0.291 274 A C -2.268 175.421 177.584 0.174 0.000 1.105 274 A CA -0.516 51.627 52.037 0.177 0.000 0.694 274 A CB 2.359 21.457 19.000 0.164 0.000 1.291 274 A HN 0.562 nan 8.150 nan 0.000 0.410 275 Y N 0.173 120.401 120.300 -0.120 0.000 2.433 275 Y HA 0.660 5.210 4.550 -0.000 0.000 0.337 275 Y C -0.748 174.888 175.900 -0.440 0.000 1.026 275 Y CA -0.235 57.634 58.100 -0.385 0.000 1.037 275 Y CB 2.198 40.432 38.460 -0.377 0.000 1.245 275 Y HN 0.723 nan 8.280 nan 0.000 0.443 276 T N 6.553 120.211 114.554 -1.494 0.000 2.912 276 T HA 0.542 4.892 4.350 -0.000 0.000 0.299 276 T C -1.672 172.262 174.700 -1.277 0.000 1.052 276 T CA -1.010 60.368 62.100 -1.202 0.000 0.996 276 T CB 1.746 70.011 68.868 -1.004 0.000 1.070 276 T HN 0.563 nan 8.240 nan 0.000 0.465 277 K N 1.423 121.369 120.400 -0.757 0.000 2.571 277 K HA 0.537 4.857 4.320 -0.000 0.000 0.252 277 K C -1.716 174.744 176.600 -0.234 0.000 0.956 277 K CA -0.487 55.517 56.287 -0.471 0.000 0.822 277 K CB 1.681 33.951 32.500 -0.383 0.000 1.286 277 K HN 0.606 nan 8.250 nan 0.000 0.439 278 S N 4.112 119.726 115.700 -0.145 0.000 2.647 278 S HA 0.489 4.959 4.470 -0.000 0.000 0.300 278 S C -1.671 172.908 174.600 -0.036 0.000 1.129 278 S CA -0.815 57.339 58.200 -0.076 0.000 1.029 278 S CB 0.604 63.781 63.200 -0.038 0.000 1.007 278 S HN 0.609 nan 8.310 nan 0.000 0.484 279 K N 2.829 123.216 120.400 -0.022 0.000 2.324 279 K HA 0.844 5.164 4.320 -0.000 0.000 0.253 279 K C -0.559 176.043 176.600 0.003 0.000 0.932 279 K CA -0.969 55.317 56.287 -0.001 0.000 0.799 279 K CB 1.864 34.371 32.500 0.012 0.000 1.154 279 K HN 0.478 nan 8.250 nan 0.000 0.425 280 A N 3.282 126.107 122.820 0.008 0.000 2.310 280 A HA 0.420 4.740 4.320 -0.000 0.000 0.299 280 A C -0.819 176.777 177.584 0.019 0.000 1.147 280 A CA -0.691 51.352 52.037 0.010 0.000 0.818 280 A CB 0.454 19.457 19.000 0.006 0.000 1.096 280 A HN 0.782 nan 8.150 nan 0.000 0.495 281 K N 1.193 121.606 120.400 0.023 0.000 2.316 281 K HA 0.455 4.775 4.320 -0.000 0.000 0.251 281 K C -1.058 175.560 176.600 0.030 0.000 0.934 281 K CA -0.789 55.516 56.287 0.029 0.000 0.802 281 K CB 1.532 34.054 32.500 0.036 0.000 1.171 281 K HN 0.685 nan 8.250 nan 0.000 0.426 282 D N -0.333 120.085 120.400 0.030 0.000 3.076 282 D HA -0.145 4.495 4.640 -0.000 0.000 0.218 282 D C -0.174 176.143 176.300 0.029 0.000 1.156 282 D CA 0.580 54.598 54.000 0.030 0.000 0.921 282 D CB -1.735 39.084 40.800 0.031 0.000 1.113 282 D HN 0.188 nan 8.370 nan 0.000 0.418 283 V N 2.357 122.288 119.914 0.027 0.000 2.539 283 V HA -0.138 3.981 4.120 -0.000 0.000 0.300 283 V C 1.300 177.411 176.094 0.027 0.000 1.019 283 V CA 0.419 62.734 62.300 0.025 0.000 1.160 283 V CB 0.356 32.190 31.823 0.019 0.000 0.901 283 V HN 0.096 nan 8.190 nan 0.000 0.481 284 E N 5.398 125.615 120.200 0.028 0.000 2.603 284 E HA 0.151 4.501 4.350 -0.000 0.000 0.242 284 E C 1.180 177.797 176.600 0.029 0.000 1.083 284 E CA 0.751 57.168 56.400 0.029 0.000 0.950 284 E CB -0.326 29.392 29.700 0.029 0.000 0.952 284 E HN 1.023 nan 8.360 nan 0.000 0.498 285 G N 2.968 111.786 108.800 0.030 0.000 2.424 285 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.207 285 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.207 285 G C 0.781 175.704 174.900 0.038 0.000 1.061 285 G CA 0.052 45.172 45.100 0.034 0.000 0.657 285 G HN 0.429 nan 8.290 nan 0.000 0.508 286 I N 1.755 122.349 120.570 0.040 0.000 2.494 286 I HA 0.507 4.676 4.170 -0.000 0.000 0.250 286 I C 2.184 178.325 176.117 0.039 0.000 1.112 286 I CA 2.393 63.721 61.300 0.045 0.000 1.438 286 I CB -0.318 37.712 38.000 0.049 0.000 1.111 286 I HN 1.478 nan 8.210 nan 0.000 0.431 287 G N 0.028 108.848 108.800 0.033 0.000 2.826 287 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.233 287 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.233 287 G C -0.969 173.949 174.900 0.031 0.000 1.296 287 G CA -0.240 44.879 45.100 0.031 0.000 1.001 287 G HN 0.201 nan 8.290 nan 0.000 0.576 288 D N 0.778 121.197 120.400 0.032 0.000 2.177 288 D HA 0.624 5.264 4.640 -0.000 0.000 0.247 288 D C 0.090 176.409 176.300 0.032 0.000 1.063 288 D CA 0.182 54.201 54.000 0.031 0.000 0.867 288 D CB 1.904 42.723 40.800 0.032 0.000 1.168 288 D HN 0.846 nan 8.370 nan 0.000 0.445 289 V N 0.708 120.638 119.914 0.027 0.000 2.891 289 V HA 0.296 4.416 4.120 -0.000 0.000 0.304 289 V C -0.703 175.403 176.094 0.020 0.000 1.171 289 V CA -1.137 61.179 62.300 0.027 0.000 0.943 289 V CB 2.227 34.063 31.823 0.022 0.000 1.037 289 V HN 0.293 nan 8.190 nan 0.000 0.427 290 D N 2.181 122.595 120.400 0.023 0.000 2.345 290 D HA 0.517 5.157 4.640 -0.000 0.000 0.247 290 D C 0.768 177.077 176.300 0.015 0.000 1.108 290 D CA -0.065 53.945 54.000 0.015 0.000 0.894 290 D CB 1.887 42.698 40.800 0.018 0.000 1.203 290 D HN 0.481 nan 8.370 nan 0.000 0.430 291 L N 0.494 121.725 121.223 0.014 0.000 2.547 291 L HA 0.242 4.582 4.340 -0.000 0.000 0.218 291 L C 0.024 176.924 176.870 0.051 0.000 1.048 291 L CA 0.215 55.071 54.840 0.026 0.000 0.859 291 L CB 0.428 42.508 42.059 0.035 0.000 1.128 291 L HN 0.106 nan 8.230 nan 0.000 0.483 292 V N 0.434 120.368 119.914 0.034 0.000 2.733 292 V HA 0.493 4.613 4.120 -0.000 0.000 0.306 292 V C -1.315 174.739 176.094 -0.067 0.000 1.084 292 V CA -0.634 61.700 62.300 0.057 0.000 0.905 292 V CB 2.031 33.892 31.823 0.064 0.000 1.010 292 V HN 0.234 nan 8.190 nan 0.000 0.424 293 N N 3.707 122.375 118.700 -0.054 0.000 2.905 293 N HA 0.422 5.162 4.740 -0.000 0.000 0.255 293 N C -1.518 173.922 175.510 -0.117 0.000 1.199 293 N CA -0.366 52.564 53.050 -0.201 0.000 0.911 293 N CB 1.533 39.980 38.487 -0.067 0.000 1.550 293 N HN 0.747 nan 8.380 nan 0.000 0.599 294 Y N 0.784 120.897 120.300 -0.312 0.000 2.750 294 Y HA 0.734 5.284 4.550 -0.000 0.000 0.335 294 Y C -1.887 173.819 175.900 -0.323 0.000 1.252 294 Y CA -1.294 56.663 58.100 -0.238 0.000 1.064 294 Y CB 0.694 38.950 38.460 -0.339 0.000 1.321 294 Y HN 0.061 nan 8.280 nan 0.000 0.451 295 F N 1.076 121.157 119.950 0.218 0.000 2.538 295 F HA 0.613 5.140 4.527 -0.000 0.000 0.325 295 F C -0.124 175.791 175.800 0.191 0.000 1.066 295 F CA -0.736 57.384 58.000 0.200 0.000 0.946 295 F CB 2.075 41.134 39.000 0.097 0.000 1.199 295 F HN 0.585 nan 8.300 nan 0.000 0.473 296 E N 1.817 122.220 120.200 0.338 0.000 2.272 296 E HA 0.601 4.951 4.350 -0.000 0.000 0.269 296 E C -2.074 174.627 176.600 0.169 0.000 0.877 296 E CA -0.496 56.007 56.400 0.171 0.000 0.755 296 E CB 2.316 32.147 29.700 0.219 0.000 1.192 296 E HN 0.425 nan 8.360 nan 0.000 0.422 297 V N 2.552 122.546 119.914 0.133 0.000 2.638 297 V HA 0.860 4.980 4.120 -0.000 0.000 0.306 297 V C 0.186 176.410 176.094 0.216 0.000 1.052 297 V CA -0.225 62.182 62.300 0.179 0.000 0.885 297 V CB 1.672 33.616 31.823 0.202 0.000 0.999 297 V HN 0.781 nan 8.190 nan 0.000 0.424 298 G N 2.488 111.402 108.800 0.190 0.000 2.576 298 G HA2 0.902 4.862 3.960 -0.000 0.000 0.290 298 G HA3 0.902 4.862 3.960 -0.000 0.000 0.290 298 G C -1.548 173.446 174.900 0.157 0.000 1.442 298 G CA 0.018 45.231 45.100 0.189 0.000 0.792 298 G HN 1.255 nan 8.290 nan 0.000 0.491 299 A N -0.560 122.353 122.820 0.155 0.000 2.594 299 A HA 0.924 5.243 4.320 -0.000 0.000 0.295 299 A C -0.609 177.049 177.584 0.123 0.000 1.071 299 A CA -0.479 51.638 52.037 0.133 0.000 0.685 299 A CB 1.859 20.944 19.000 0.143 0.000 1.285 299 A HN 1.073 nan 8.150 nan 0.000 0.405 300 T N 0.849 115.430 114.554 0.045 0.000 2.876 300 T HA 0.596 4.946 4.350 -0.000 0.000 0.289 300 T C -1.723 172.873 174.700 -0.173 0.000 1.014 300 T CA -0.095 61.958 62.100 -0.079 0.000 0.986 300 T CB 1.144 69.842 68.868 -0.283 0.000 1.021 300 T HN 0.613 nan 8.240 nan 0.000 0.458 301 Y N 2.420 122.513 120.300 -0.345 0.000 2.338 301 Y HA 0.550 5.100 4.550 -0.000 0.000 0.333 301 Y C -1.720 173.890 175.900 -0.484 0.000 0.968 301 Y CA -1.283 56.607 58.100 -0.350 0.000 1.123 301 Y CB 0.849 39.122 38.460 -0.311 0.000 1.165 301 Y HN 0.627 nan 8.280 nan 0.000 0.452 302 Y N 7.009 126.901 120.300 -0.680 0.000 2.367 302 Y HA 0.237 4.787 4.550 -0.000 0.000 0.342 302 Y C 0.302 175.960 175.900 -0.404 0.000 0.979 302 Y CA -0.431 57.459 58.100 -0.351 0.000 1.161 302 Y CB 0.405 38.720 38.460 -0.242 0.000 1.155 302 Y HN 0.696 nan 8.280 nan 0.000 0.503 303 F N 1.342 121.394 119.950 0.170 0.000 2.163 303 F HA -0.133 4.394 4.527 0.000 0.000 0.297 303 F C 0.803 176.692 175.800 0.149 0.000 1.094 303 F CA 1.036 59.189 58.000 0.254 0.000 1.290 303 F CB -0.015 39.141 39.000 0.259 0.000 1.017 303 F HN 0.607 nan 8.300 nan 0.000 0.483 304 N N -1.365 117.524 118.700 0.314 0.000 3.441 304 N HA 0.052 4.792 4.740 -0.000 0.000 0.313 304 N C -0.175 175.416 175.510 0.135 0.000 1.526 304 N CA -0.537 52.618 53.050 0.174 0.000 0.871 304 N CB 0.154 38.738 38.487 0.160 0.000 1.779 304 N HN -0.038 nan 8.380 nan 0.000 0.529 305 K N -0.968 119.468 120.400 0.059 0.000 2.504 305 K HA 0.147 4.467 4.320 -0.000 0.000 0.195 305 K C -0.022 176.596 176.600 0.029 0.000 1.036 305 K CA 1.358 57.653 56.287 0.014 0.000 0.984 305 K CB -0.409 32.075 32.500 -0.027 0.000 0.788 305 K HN 0.455 nan 8.250 nan 0.000 0.488 306 N N -0.650 118.082 118.700 0.054 0.000 2.332 306 N HA 0.126 4.866 4.740 -0.000 0.000 0.190 306 N C -0.566 174.948 175.510 0.007 0.000 1.117 306 N CA -0.124 52.902 53.050 -0.041 0.000 0.883 306 N CB 0.550 39.007 38.487 -0.052 0.000 1.089 306 N HN 0.045 nan 8.380 nan 0.000 0.480 307 M N 0.773 120.479 119.600 0.177 0.000 2.395 307 M HA 0.474 4.954 4.480 -0.000 0.000 0.307 307 M C -1.322 175.243 176.300 0.441 0.000 1.091 307 M CA -0.586 54.873 55.300 0.267 0.000 0.919 307 M CB 1.758 34.488 32.600 0.216 0.000 1.662 307 M HN 0.077 nan 8.290 nan 0.000 0.440 308 S N 1.650 117.592 115.700 0.405 0.000 2.656 308 S HA 1.021 5.491 4.470 -0.000 0.000 0.273 308 S C -1.078 173.720 174.600 0.330 0.000 1.168 308 S CA -0.253 58.169 58.200 0.369 0.000 0.817 308 S CB 1.862 65.120 63.200 0.097 0.000 1.146 308 S HN 0.954 nan 8.310 nan 0.000 0.475 309 T N -0.793 113.894 114.554 0.222 0.000 2.889 309 T HA 0.771 5.121 4.350 -0.000 0.000 0.315 309 T C -1.403 173.354 174.700 0.094 0.000 1.291 309 T CA -0.742 61.426 62.100 0.112 0.000 1.028 309 T CB 1.052 70.037 68.868 0.194 0.000 1.235 309 T HN 1.773 nan 8.240 nan 0.000 0.491 310 Y N -1.344 118.987 120.300 0.051 0.000 2.689 310 Y HA 0.823 5.373 4.550 -0.000 0.000 0.333 310 Y C -2.046 173.896 175.900 0.070 0.000 1.208 310 Y CA -1.662 56.456 58.100 0.030 0.000 1.055 310 Y CB 0.734 39.188 38.460 -0.011 0.000 1.304 310 Y HN 0.607 nan 8.280 nan 0.000 0.455 311 V N 1.628 121.740 119.914 0.331 0.000 2.638 311 V HA 0.485 4.604 4.120 -0.000 0.000 0.306 311 V C -1.520 174.768 176.094 0.323 0.000 1.052 311 V CA -0.500 61.959 62.300 0.265 0.000 0.885 311 V CB 1.702 33.615 31.823 0.149 0.000 0.999 311 V HN 0.807 nan 8.190 nan 0.000 0.424 312 D N 2.339 122.950 120.400 0.353 0.000 2.629 312 D HA 0.412 5.052 4.640 -0.000 0.000 0.250 312 D C -1.747 174.817 176.300 0.440 0.000 1.126 312 D CA -0.255 53.952 54.000 0.345 0.000 0.852 312 D CB 1.704 42.660 40.800 0.261 0.000 1.335 312 D HN 0.434 nan 8.370 nan 0.000 0.518 313 Y N 5.174 125.577 120.300 0.172 0.000 2.328 313 Y HA 0.432 4.982 4.550 -0.000 0.000 0.333 313 Y C -1.165 174.714 175.900 -0.035 0.000 0.958 313 Y CA -1.346 56.802 58.100 0.081 0.000 1.167 313 Y CB 0.621 39.122 38.460 0.069 0.000 1.151 313 Y HN 0.271 nan 8.280 nan 0.000 0.470 314 I N 8.437 128.822 120.570 -0.308 0.000 2.304 314 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 314 I C -0.114 175.617 176.117 -0.643 0.000 1.018 314 I CA -0.467 60.421 61.300 -0.687 0.000 1.260 314 I CB 1.201 38.448 38.000 -1.256 0.000 1.390 314 I HN 0.620 nan 8.210 nan 0.000 0.475 315 I N 6.115 126.389 120.570 -0.493 0.000 2.317 315 I HA 0.117 4.287 4.170 -0.000 0.000 0.286 315 I C 0.609 176.707 176.117 -0.033 0.000 1.119 315 I CA -0.437 60.681 61.300 -0.304 0.000 1.228 315 I CB -0.149 37.708 38.000 -0.238 0.000 1.476 315 I HN 0.456 nan 8.210 nan 0.000 0.514 316 N N 4.161 122.813 118.700 -0.080 0.000 2.365 316 N HA -0.074 4.666 4.740 -0.000 0.000 0.265 316 N C 0.856 176.424 175.510 0.097 0.000 1.288 316 N CA 0.575 53.636 53.050 0.019 0.000 0.869 316 N CB 0.845 39.338 38.487 0.009 0.000 1.071 316 N HN 0.406 nan 8.380 nan 0.000 0.480 317 Q N 2.508 122.391 119.800 0.138 0.000 2.356 317 Q HA 0.189 4.529 4.340 -0.000 0.000 0.205 317 Q C 0.249 176.310 176.000 0.102 0.000 0.901 317 Q CA -0.133 55.759 55.803 0.148 0.000 0.938 317 Q CB 0.560 29.418 28.738 0.199 0.000 1.081 317 Q HN 0.590 nan 8.270 nan 0.000 0.517 318 I N 3.451 124.075 120.570 0.089 0.000 2.752 318 I HA -0.080 4.089 4.170 -0.000 0.000 0.287 318 I C 0.776 176.938 176.117 0.074 0.000 1.188 318 I CA 0.390 61.735 61.300 0.076 0.000 1.427 318 I CB 0.219 38.267 38.000 0.080 0.000 1.365 318 I HN 0.175 nan 8.210 nan 0.000 0.585 319 D N 3.785 124.226 120.400 0.068 0.000 2.217 319 D HA 0.107 4.746 4.640 -0.000 0.000 0.248 319 D C 0.774 177.116 176.300 0.070 0.000 1.008 319 D CA -0.417 53.623 54.000 0.067 0.000 0.914 319 D CB 1.540 42.377 40.800 0.062 0.000 1.182 319 D HN 0.517 nan 8.370 nan 0.000 0.451 320 S N 1.307 117.048 115.700 0.069 0.000 2.462 320 S HA -0.201 4.269 4.470 -0.000 0.000 0.243 320 S C 0.566 175.222 174.600 0.093 0.000 1.003 320 S CA 0.855 59.101 58.200 0.077 0.000 0.970 320 S CB -0.190 63.050 63.200 0.067 0.000 0.762 320 S HN 0.517 nan 8.310 nan 0.000 0.510 321 D N 1.607 122.058 120.400 0.085 0.000 2.388 321 D HA 0.145 4.785 4.640 -0.000 0.000 0.221 321 D C 0.034 176.403 176.300 0.115 0.000 1.133 321 D CA -0.139 53.918 54.000 0.095 0.000 0.831 321 D CB -0.489 40.350 40.800 0.065 0.000 0.962 321 D HN 0.370 nan 8.370 nan 0.000 0.502 322 N N 2.061 120.828 118.700 0.110 0.000 2.411 322 N HA -0.100 4.640 4.740 -0.000 0.000 0.265 322 N C 1.145 176.743 175.510 0.146 0.000 1.266 322 N CA 0.110 53.217 53.050 0.095 0.000 0.889 322 N CB 0.814 39.337 38.487 0.061 0.000 1.069 322 N HN -0.165 nan 8.380 nan 0.000 0.476 323 K N 3.896 124.382 120.400 0.143 0.000 2.211 323 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 323 K C 1.486 178.188 176.600 0.169 0.000 1.047 323 K CA 0.892 57.309 56.287 0.218 0.000 0.935 323 K CB 0.001 32.584 32.500 0.139 0.000 0.728 323 K HN 0.624 nan 8.250 nan 0.000 0.452 324 L N -0.667 120.547 121.223 -0.015 0.000 2.446 324 L HA 0.050 4.390 4.340 -0.000 0.000 0.219 324 L C 1.141 177.741 176.870 -0.451 0.000 1.116 324 L CA 0.650 55.385 54.840 -0.175 0.000 0.844 324 L CB -0.121 41.874 42.059 -0.107 0.000 0.970 324 L HN 0.410 nan 8.230 nan 0.000 0.457 325 G N -0.031 108.531 108.800 -0.396 0.000 2.144 325 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 325 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 325 G C 0.227 175.011 174.900 -0.194 0.000 0.988 325 G CA -0.085 44.736 45.100 -0.464 0.000 0.659 325 G HN 0.044 nan 8.290 nan 0.000 0.522 326 V N 1.278 121.124 119.914 -0.113 0.000 2.694 326 V HA 0.436 4.556 4.120 -0.000 0.000 0.306 326 V C 1.733 177.820 176.094 -0.012 0.000 1.054 326 V CA 0.663 62.932 62.300 -0.052 0.000 1.161 326 V CB 0.920 32.733 31.823 -0.017 0.000 0.916 326 V HN 0.856 nan 8.190 nan 0.000 0.490 327 G N 3.269 112.067 108.800 -0.004 0.000 2.491 327 G HA2 0.292 4.252 3.960 -0.000 0.000 0.238 327 G HA3 0.292 4.252 3.960 -0.000 0.000 0.238 327 G C 0.872 175.807 174.900 0.057 0.000 1.277 327 G CA 0.253 45.368 45.100 0.025 0.000 0.851 327 G HN 1.053 nan 8.290 nan 0.000 0.573 328 S N 0.045 115.783 115.700 0.062 0.000 2.540 328 S HA 0.137 4.607 4.470 -0.000 0.000 0.222 328 S C 0.241 174.883 174.600 0.070 0.000 1.008 328 S CA -0.295 57.947 58.200 0.071 0.000 0.939 328 S CB 0.357 63.598 63.200 0.068 0.000 0.865 328 S HN 0.466 nan 8.310 nan 0.000 0.499 329 D N 2.829 123.272 120.400 0.071 0.000 2.358 329 D HA 0.384 5.024 4.640 -0.000 0.000 0.244 329 D C -0.378 175.963 176.300 0.069 0.000 1.163 329 D CA -0.050 53.994 54.000 0.073 0.000 0.945 329 D CB 0.506 41.352 40.800 0.078 0.000 1.152 329 D HN 0.179 nan 8.370 nan 0.000 0.451 330 D N -0.410 120.034 120.400 0.074 0.000 2.377 330 D HA 0.423 5.063 4.640 -0.000 0.000 0.245 330 D C -0.168 176.185 176.300 0.087 0.000 1.196 330 D CA 0.218 54.252 54.000 0.057 0.000 0.962 330 D CB 0.706 41.606 40.800 0.168 0.000 1.127 330 D HN 0.080 nan 8.370 nan 0.000 0.471 331 T N -0.417 114.167 114.554 0.050 0.000 2.956 331 T HA 0.495 4.845 4.350 -0.000 0.000 0.312 331 T C -0.959 173.855 174.700 0.189 0.000 1.151 331 T CA -0.641 61.512 62.100 0.087 0.000 1.024 331 T CB 1.581 70.423 68.868 -0.044 0.000 1.140 331 T HN 0.024 nan 8.240 nan 0.000 0.473 332 V N 1.853 121.952 119.914 0.308 0.000 2.531 332 V HA 0.844 4.964 4.120 -0.000 0.000 0.301 332 V C -0.261 176.118 176.094 0.476 0.000 1.034 332 V CA -0.838 61.683 62.300 0.367 0.000 0.865 332 V CB 1.580 33.511 31.823 0.180 0.000 0.995 332 V HN 1.132 nan 8.190 nan 0.000 0.424 333 A N 4.593 127.674 122.820 0.435 0.000 2.331 333 A HA 0.907 5.226 4.320 -0.000 0.000 0.320 333 A C -0.934 176.873 177.584 0.371 0.000 1.138 333 A CA -0.555 51.725 52.037 0.406 0.000 0.790 333 A CB 1.610 20.692 19.000 0.136 0.000 1.206 333 A HN 0.680 nan 8.150 nan 0.000 0.470 334 V N 1.625 121.758 119.914 0.365 0.000 2.540 334 V HA 0.842 4.962 4.120 -0.000 0.000 0.302 334 V C 0.539 176.609 176.094 -0.039 0.000 1.035 334 V CA 0.113 62.506 62.300 0.156 0.000 0.873 334 V CB 1.838 33.823 31.823 0.270 0.000 0.992 334 V HN 1.322 nan 8.190 nan 0.000 0.428 335 G N 3.075 111.595 108.800 -0.467 0.000 2.690 335 G HA2 0.776 4.736 3.960 -0.000 0.000 0.293 335 G HA3 0.776 4.736 3.960 -0.000 0.000 0.293 335 G C -1.869 172.766 174.900 -0.442 0.000 1.399 335 G CA -0.598 44.193 45.100 -0.515 0.000 0.890 335 G HN 0.807 nan 8.290 nan 0.000 0.485 336 I N 1.052 121.512 120.570 -0.184 0.000 2.497 336 I HA 0.589 4.759 4.170 -0.000 0.000 0.284 336 I C -1.300 174.827 176.117 0.017 0.000 1.060 336 I CA -0.783 60.488 61.300 -0.048 0.000 1.071 336 I CB 1.729 39.728 38.000 -0.002 0.000 1.216 336 I HN 0.264 nan 8.210 nan 0.000 0.442 337 V N 8.020 127.987 119.914 0.088 0.000 2.398 337 V HA 0.348 4.468 4.120 -0.000 0.000 0.286 337 V C -0.853 175.341 176.094 0.167 0.000 1.026 337 V CA -0.553 61.820 62.300 0.121 0.000 0.868 337 V CB 1.342 33.263 31.823 0.163 0.000 0.982 337 V HN 0.629 nan 8.190 nan 0.000 0.443 338 Y N 5.482 125.823 120.300 0.069 0.000 2.377 338 Y HA 0.710 5.260 4.550 -0.000 0.000 0.339 338 Y C -0.105 175.882 175.900 0.146 0.000 1.011 338 Y CA -0.520 57.639 58.100 0.099 0.000 1.093 338 Y CB 1.594 40.098 38.460 0.074 0.000 1.201 338 Y HN 0.769 nan 8.280 nan 0.000 0.455 339 Q N 5.524 124.881 119.800 -0.739 0.000 2.435 339 Q HA 0.618 4.958 4.340 -0.000 0.000 0.282 339 Q C -1.935 173.824 176.000 -0.401 0.000 1.020 339 Q CA -0.939 54.629 55.803 -0.392 0.000 0.820 339 Q CB 2.625 31.275 28.738 -0.148 0.000 1.436 339 Q HN 0.619 nan 8.270 nan 0.000 0.395 340 F N 0.000 119.808 119.950 -0.237 0.000 2.286 340 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 340 F CA 0.000 57.948 58.000 -0.087 0.000 1.383 340 F CB 0.000 39.021 39.000 0.034 0.000 1.145 340 F HN 0.000 nan 8.300 nan 0.000 0.574