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 1v25_1_A DATA FIRST_RESID 8 DATA SEQUENCE AFPSTMMDEE LNLWDFLERA AALFGRKEVV SRLHTGEVHR TTYAEVYQRA DATA SEQUENCE RRLMGGLRAL GVGVGDRVAT LGFNHFRHLE AYFAVPGMGA VLHTANPRLS DATA SEQUENCE PKEIAYILNH AEDKVLLFDP NLLPLVEAIR GELKTVQHFV VMDEKAPEGY DATA SEQUENCE LAYEEALGEE ADPVRVPERA ACGMAYTTGT TGLPKGVVYS HRALVLHSLA DATA SEQUENCE ASLVDGTALS EKDVVLPVVP MFHVNAWCLP YAATLVGAKQ VLPGPRLDPA DATA SEQUENCE SLVELFDGEG VTFTAGVPTV WLALADYLES TGHRLKTLRR LVVGGSAAPR DATA SEQUENCE SLIARFERMG VEVRQGYGLT ETSPVVVQNF VKSHLESLSE EEKLTLKAKT DATA SEQUENCE GLPIPLVRLR VADEEGRPVP KDGKALGEVQ LKGPWITGGY YGNEEATRSA DATA SEQUENCE LTPDGFFRTG DIAVWDEEGY VEIKDRLKDL IKSGGEWISS VDLENAXXXX DATA SEQUENCE XXXXXXAVVA IPHPKWQERP LAVVXXXXXX XXXXXXXXXX XXXGFAKWQL DATA SEQUENCE PDAYXXXXXX XXXXXXXXLK RALREQYKNY YGGA 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.712 177.584 0.213 0.000 1.274 8 A CA 0.000 52.104 52.037 0.111 0.000 0.836 8 A CB 0.000 19.058 19.000 0.097 0.000 0.831 9 F N 2.771 122.723 119.950 0.003 0.000 2.577 9 F HA 0.680 5.207 4.527 -0.000 0.000 0.344 9 F C -2.597 173.205 175.800 0.004 0.000 1.145 9 F CA -2.509 55.493 58.000 0.004 0.000 0.996 9 F CB 1.297 40.300 39.000 0.004 0.000 1.248 9 F HN 0.027 nan 8.300 nan 0.000 0.447 10 P HA 0.339 nan 4.420 nan 0.000 0.275 10 P C -0.762 176.352 177.300 -0.309 0.000 1.228 10 P CA -0.419 62.539 63.100 -0.237 0.000 0.786 10 P CB 1.026 32.594 31.700 -0.221 0.000 0.927 11 S N -0.289 115.329 115.700 -0.136 0.000 2.669 11 S HA 0.286 4.756 4.470 -0.000 0.000 0.270 11 S C 0.906 175.447 174.600 -0.098 0.000 1.225 11 S CA 0.084 58.230 58.200 -0.090 0.000 0.991 11 S CB 0.587 63.777 63.200 -0.017 0.000 0.987 11 S HN 0.578 nan 8.310 nan 0.000 0.552 12 T N -1.317 113.199 114.554 -0.064 0.000 3.086 12 T HA 0.285 4.635 4.350 -0.000 0.000 0.250 12 T C 0.695 175.379 174.700 -0.027 0.000 1.074 12 T CA -0.446 61.623 62.100 -0.051 0.000 0.988 12 T CB -0.346 68.499 68.868 -0.039 0.000 0.988 12 T HN 0.493 nan 8.240 nan 0.000 0.530 13 M N 1.779 121.369 119.600 -0.017 0.000 2.245 13 M HA 0.324 4.804 4.480 -0.000 0.000 0.344 13 M C 0.538 176.833 176.300 -0.008 0.000 1.170 13 M CA 0.130 55.427 55.300 -0.005 0.000 1.135 13 M CB -0.049 32.554 32.600 0.004 0.000 1.574 13 M HN 0.258 nan 8.290 nan 0.000 0.452 14 M N 2.319 121.918 119.600 -0.002 0.000 2.249 14 M HA -0.033 4.447 4.480 -0.000 0.000 0.340 14 M C 0.124 176.424 176.300 -0.000 0.000 1.166 14 M CA 0.491 55.789 55.300 -0.002 0.000 1.115 14 M CB 0.129 32.730 32.600 0.003 0.000 1.606 14 M HN 0.391 nan 8.290 nan 0.000 0.448 15 D N 3.149 123.547 120.400 -0.004 0.000 2.619 15 D HA 0.114 4.754 4.640 -0.000 0.000 0.224 15 D C -0.493 175.806 176.300 -0.001 0.000 1.133 15 D CA 0.220 54.218 54.000 -0.003 0.000 1.017 15 D CB 0.127 40.922 40.800 -0.008 0.000 1.077 15 D HN 0.361 nan 8.370 nan 0.000 0.503 16 E N 1.741 121.944 120.200 0.005 0.000 2.174 16 E HA 0.122 4.472 4.350 -0.000 0.000 0.282 16 E C 0.006 176.610 176.600 0.007 0.000 0.992 16 E CA -0.572 55.832 56.400 0.007 0.000 0.803 16 E CB 0.736 30.445 29.700 0.015 0.000 1.090 16 E HN 0.085 nan 8.360 nan 0.000 0.396 17 E N 2.850 123.048 120.200 -0.004 0.000 2.354 17 E HA 0.165 4.515 4.350 -0.000 0.000 0.269 17 E C 0.029 176.624 176.600 -0.008 0.000 1.036 17 E CA -0.370 56.023 56.400 -0.012 0.000 0.876 17 E CB 0.801 30.477 29.700 -0.040 0.000 1.009 17 E HN 0.457 nan 8.360 nan 0.000 0.416 18 L N 2.667 123.891 121.223 0.001 0.000 2.380 18 L HA 0.215 4.555 4.340 -0.000 0.000 0.273 18 L C 0.395 177.243 176.870 -0.037 0.000 1.138 18 L CA 0.011 54.853 54.840 0.003 0.000 0.832 18 L CB 0.174 42.252 42.059 0.032 0.000 1.124 18 L HN 0.456 nan 8.230 nan 0.000 0.454 19 N N 1.127 119.794 118.700 -0.055 0.000 2.324 19 N HA 0.306 5.045 4.740 -0.000 0.000 0.285 19 N C 0.369 175.841 175.510 -0.063 0.000 1.076 19 N CA -0.632 52.386 53.050 -0.053 0.000 0.864 19 N CB 1.644 40.076 38.487 -0.092 0.000 1.632 19 N HN 0.475 nan 8.380 nan 0.000 0.478 20 L N 1.289 122.563 121.223 0.086 0.000 2.131 20 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 20 L C 1.890 178.865 176.870 0.175 0.000 1.092 20 L CA 0.955 55.670 54.840 -0.209 0.000 0.759 20 L CB -0.183 41.692 42.059 -0.306 0.000 0.903 20 L HN 0.708 nan 8.230 nan 0.000 0.435 21 W N 1.645 123.053 121.300 0.180 0.000 2.350 21 W HA -0.221 4.439 4.660 -0.000 0.000 0.289 21 W C 1.591 178.211 176.519 0.167 0.000 1.215 21 W CA 1.520 59.020 57.345 0.259 0.000 1.236 21 W CB -0.040 29.533 29.460 0.187 0.000 1.130 21 W HN 0.310 nan 8.180 nan 0.000 0.541 22 D N 0.047 120.544 120.400 0.161 0.000 2.263 22 D HA -0.180 4.460 4.640 -0.000 0.000 0.208 22 D C 1.866 178.261 176.300 0.157 0.000 0.971 22 D CA 1.134 55.201 54.000 0.110 0.000 0.867 22 D CB -0.817 40.059 40.800 0.127 0.000 0.929 22 D HN 0.100 nan 8.370 nan 0.000 0.492 23 F N 0.424 120.373 119.950 -0.003 0.000 2.113 23 F HA -0.036 4.491 4.527 -0.000 0.000 0.297 23 F C 2.250 177.852 175.800 -0.332 0.000 1.103 23 F CA 0.228 58.201 58.000 -0.045 0.000 1.248 23 F CB -1.127 38.000 39.000 0.212 0.000 0.999 23 F HN -0.012 nan 8.300 nan 0.000 0.475 24 L N 0.312 121.253 121.223 -0.471 0.000 2.156 24 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 24 L C 2.256 178.737 176.870 -0.649 0.000 1.095 24 L CA 1.570 55.908 54.840 -0.837 0.000 0.770 24 L CB -0.842 40.346 42.059 -1.451 0.000 0.914 24 L HN 0.161 nan 8.230 nan 0.000 0.439 25 E N -0.495 119.336 120.200 -0.614 0.000 2.077 25 E HA -0.299 4.051 4.350 -0.000 0.000 0.193 25 E C 2.382 178.740 176.600 -0.403 0.000 0.989 25 E CA 1.226 57.320 56.400 -0.509 0.000 0.800 25 E CB -0.069 29.520 29.700 -0.185 0.000 0.746 25 E HN 0.439 nan 8.360 nan 0.000 0.452 26 R N -0.072 120.278 120.500 -0.250 0.000 2.092 26 R HA -0.089 4.251 4.340 -0.000 0.000 0.231 26 R C 2.213 178.370 176.300 -0.238 0.000 1.119 26 R CA 1.137 57.121 56.100 -0.193 0.000 0.970 26 R CB -0.197 30.062 30.300 -0.067 0.000 0.864 26 R HN 0.158 nan 8.270 nan 0.000 0.440 27 A N 0.813 123.471 122.820 -0.270 0.000 1.877 27 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 27 A C 2.345 179.781 177.584 -0.246 0.000 1.186 27 A CA 1.727 53.587 52.037 -0.296 0.000 0.620 27 A CB -0.805 17.720 19.000 -0.793 0.000 0.822 27 A HN 0.521 nan 8.150 nan 0.000 0.443 28 A N -0.472 122.137 122.820 -0.353 0.000 1.930 28 A HA 0.215 4.535 4.320 -0.000 0.000 0.217 28 A C 2.427 179.838 177.584 -0.288 0.000 1.175 28 A CA 1.984 53.825 52.037 -0.327 0.000 0.627 28 A CB -0.779 17.780 19.000 -0.736 0.000 0.815 28 A HN 0.997 nan 8.150 nan 0.000 0.443 29 A N -0.891 121.725 122.820 -0.339 0.000 1.930 29 A HA 0.248 4.568 4.320 -0.000 0.000 0.215 29 A C 2.014 179.410 177.584 -0.313 0.000 1.176 29 A CA 1.256 53.126 52.037 -0.278 0.000 0.632 29 A CB -0.264 18.584 19.000 -0.252 0.000 0.819 29 A HN 0.429 nan 8.150 nan 0.000 0.445 30 L N -2.867 118.063 121.223 -0.489 0.000 2.537 30 L HA 0.251 4.590 4.340 -0.000 0.000 0.224 30 L C 0.180 176.506 176.870 -0.908 0.000 1.065 30 L CA 0.314 54.658 54.840 -0.826 0.000 0.860 30 L CB 0.327 41.605 42.059 -1.302 0.000 1.086 30 L HN 0.353 nan 8.230 nan 0.000 0.482 31 F N -1.016 118.884 119.950 -0.084 0.000 2.790 31 F HA 0.377 4.904 4.527 -0.000 0.000 0.371 31 F C 1.602 177.441 175.800 0.066 0.000 1.293 31 F CA -0.580 57.410 58.000 -0.016 0.000 1.205 31 F CB -0.380 38.600 39.000 -0.033 0.000 1.047 31 F HN -0.181 nan 8.300 nan 0.000 0.510 32 G N 0.369 109.231 108.800 0.103 0.000 2.448 32 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 32 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 32 G C 1.767 176.746 174.900 0.132 0.000 1.127 32 G CA 0.440 45.606 45.100 0.110 0.000 0.766 32 G HN 0.304 nan 8.290 nan 0.000 0.552 33 R N -0.321 120.246 120.500 0.111 0.000 2.276 33 R HA 0.101 4.441 4.340 -0.000 0.000 0.196 33 R C 0.244 176.586 176.300 0.069 0.000 0.961 33 R CA -0.094 56.049 56.100 0.071 0.000 1.024 33 R CB 0.154 30.483 30.300 0.048 0.000 0.940 33 R HN 0.044 nan 8.270 nan 0.000 0.480 34 K N 2.196 122.681 120.400 0.143 0.000 2.448 34 K HA 0.019 4.339 4.320 -0.000 0.000 0.278 34 K C 0.058 176.604 176.600 -0.089 0.000 1.009 34 K CA 0.574 56.919 56.287 0.096 0.000 0.995 34 K CB 0.438 33.093 32.500 0.260 0.000 0.917 34 K HN 0.170 nan 8.250 nan 0.000 0.481 35 E N 1.086 121.214 120.200 -0.121 0.000 2.313 35 E HA 0.218 4.568 4.350 -0.000 0.000 0.272 35 E C -0.581 175.862 176.600 -0.262 0.000 1.038 35 E CA -0.672 55.625 56.400 -0.172 0.000 0.863 35 E CB 1.457 31.094 29.700 -0.105 0.000 1.060 35 E HN 0.095 nan 8.360 nan 0.000 0.402 36 V N 3.486 123.254 119.914 -0.244 0.000 2.378 36 V HA 0.211 4.331 4.120 -0.000 0.000 0.288 36 V C -0.331 175.721 176.094 -0.071 0.000 1.016 36 V CA -0.673 61.523 62.300 -0.173 0.000 0.840 36 V CB 1.548 33.276 31.823 -0.157 0.000 0.994 36 V HN 0.368 nan 8.190 nan 0.000 0.431 37 V N 4.099 123.990 119.914 -0.038 0.000 2.459 37 V HA 0.606 4.726 4.120 -0.000 0.000 0.295 37 V C 0.056 176.178 176.094 0.047 0.000 1.029 37 V CA -0.203 62.090 62.300 -0.012 0.000 0.874 37 V CB 2.068 33.869 31.823 -0.036 0.000 0.985 37 V HN 0.876 nan 8.190 nan 0.000 0.438 38 S N 4.273 120.037 115.700 0.107 0.000 2.532 38 S HA 0.555 5.025 4.470 -0.000 0.000 0.299 38 S C -0.469 174.194 174.600 0.105 0.000 1.105 38 S CA -0.747 57.546 58.200 0.155 0.000 1.018 38 S CB 1.751 65.154 63.200 0.338 0.000 1.021 38 S HN 0.681 nan 8.310 nan 0.000 0.483 39 R N 3.341 123.875 120.500 0.055 0.000 2.207 39 R HA 0.438 4.778 4.340 -0.000 0.000 0.334 39 R C -0.596 175.721 176.300 0.028 0.000 1.013 39 R CA -0.374 55.736 56.100 0.016 0.000 0.858 39 R CB 0.241 30.518 30.300 -0.037 0.000 1.094 39 R HN 0.620 nan 8.270 nan 0.000 0.457 40 L N 3.376 124.608 121.223 0.015 0.000 2.482 40 L HA 0.094 4.434 4.340 -0.000 0.000 0.242 40 L C 2.191 179.039 176.870 -0.037 0.000 1.210 40 L CA -0.566 54.275 54.840 0.003 0.000 0.819 40 L CB 0.384 42.430 42.059 -0.022 0.000 1.203 40 L HN 0.737 nan 8.230 nan 0.000 0.495 41 H N -0.549 118.476 119.070 -0.075 0.000 2.489 41 H HA -0.118 4.438 4.556 -0.000 0.000 0.293 41 H C 1.520 176.801 175.328 -0.078 0.000 1.066 41 H CA 1.753 57.747 56.048 -0.091 0.000 1.305 41 H CB -0.621 29.092 29.762 -0.081 0.000 1.386 41 H HN 0.778 nan 8.280 nan 0.000 0.551 42 T N -3.725 110.444 114.554 -0.642 0.000 3.088 42 T HA 0.290 4.640 4.350 -0.000 0.000 0.259 42 T C 1.788 176.359 174.700 -0.214 0.000 1.122 42 T CA 0.890 62.722 62.100 -0.448 0.000 1.095 42 T CB -0.172 68.429 68.868 -0.444 0.000 0.930 42 T HN 0.646 nan 8.240 nan 0.000 0.508 43 G N 1.884 110.586 108.800 -0.163 0.000 2.213 43 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.226 43 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.226 43 G C -0.099 174.752 174.900 -0.082 0.000 0.992 43 G CA -0.033 45.003 45.100 -0.107 0.000 0.632 43 G HN 0.959 nan 8.290 nan 0.000 0.511 44 E N 0.428 120.577 120.200 -0.085 0.000 2.398 44 E HA 0.498 4.847 4.350 -0.000 0.000 0.263 44 E C -0.194 176.394 176.600 -0.020 0.000 1.046 44 E CA -0.511 55.859 56.400 -0.050 0.000 0.908 44 E CB 1.662 31.334 29.700 -0.046 0.000 0.963 44 E HN 0.235 nan 8.360 nan 0.000 0.431 45 V N 3.321 123.227 119.914 -0.013 0.000 2.347 45 V HA 0.108 4.228 4.120 -0.000 0.000 0.280 45 V C -0.095 176.008 176.094 0.014 0.000 1.021 45 V CA -0.661 61.639 62.300 -0.000 0.000 0.847 45 V CB 0.798 32.604 31.823 -0.028 0.000 0.990 45 V HN 0.671 nan 8.190 nan 0.000 0.444 46 H N 6.563 125.591 119.070 -0.071 0.000 2.458 46 H HA 0.576 5.132 4.556 -0.000 0.000 0.330 46 H C -0.669 174.547 175.328 -0.186 0.000 1.111 46 H CA -0.790 55.171 56.048 -0.145 0.000 1.245 46 H CB 1.301 30.957 29.762 -0.176 0.000 1.456 46 H HN 0.576 nan 8.280 nan 0.000 0.488 47 R N 3.082 123.158 120.500 -0.708 0.000 2.480 47 R HA 0.320 4.660 4.340 -0.000 0.000 0.306 47 R C -0.519 175.420 176.300 -0.602 0.000 0.958 47 R CA -0.697 55.118 56.100 -0.474 0.000 0.861 47 R CB 2.114 32.241 30.300 -0.288 0.000 1.171 47 R HN 0.636 nan 8.270 nan 0.000 0.445 48 T N 0.350 114.698 114.554 -0.343 0.000 2.696 48 T HA 0.571 4.920 4.350 -0.000 0.000 0.291 48 T C -0.686 173.929 174.700 -0.142 0.000 1.095 48 T CA -0.419 61.550 62.100 -0.219 0.000 1.026 48 T CB 1.884 70.674 68.868 -0.130 0.000 1.390 48 T HN 0.671 nan 8.240 nan 0.000 0.513 49 T N -0.602 113.901 114.554 -0.085 0.000 2.888 49 T HA 0.523 4.873 4.350 -0.000 0.000 0.288 49 T C 0.284 174.961 174.700 -0.038 0.000 1.063 49 T CA -0.588 61.456 62.100 -0.093 0.000 1.010 49 T CB 0.761 69.616 68.868 -0.023 0.000 1.214 49 T HN 0.517 nan 8.240 nan 0.000 0.533 50 Y N 0.555 120.882 120.300 0.045 0.000 2.224 50 Y HA 0.063 4.613 4.550 -0.000 0.000 0.289 50 Y C 3.026 178.957 175.900 0.052 0.000 1.146 50 Y CA 1.642 59.764 58.100 0.035 0.000 1.182 50 Y CB -1.156 37.311 38.460 0.011 0.000 0.983 50 Y HN 0.866 nan 8.280 nan 0.000 0.524 51 A N -0.247 122.692 122.820 0.198 0.000 1.902 51 A HA -0.249 4.070 4.320 -0.000 0.000 0.217 51 A C 2.222 179.933 177.584 0.212 0.000 1.181 51 A CA 1.980 54.116 52.037 0.165 0.000 0.623 51 A CB -0.673 18.389 19.000 0.103 0.000 0.818 51 A HN 0.513 nan 8.150 nan 0.000 0.443 52 E N -0.526 119.769 120.200 0.159 0.000 2.107 52 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 52 E C 1.907 178.629 176.600 0.203 0.000 0.982 52 E CA 0.976 57.469 56.400 0.154 0.000 0.809 52 E CB -0.034 29.723 29.700 0.096 0.000 0.756 52 E HN 0.323 nan 8.360 nan 0.000 0.459 53 V N 0.757 120.803 119.914 0.220 0.000 2.343 53 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 53 V C 2.082 178.342 176.094 0.276 0.000 1.051 53 V CA 2.033 64.494 62.300 0.268 0.000 1.036 53 V CB -0.629 31.353 31.823 0.265 0.000 0.654 53 V HN 0.432 nan 8.190 nan 0.000 0.451 54 Y N 0.547 120.912 120.300 0.110 0.000 2.145 54 Y HA -0.251 4.299 4.550 -0.000 0.000 0.286 54 Y C 2.750 178.762 175.900 0.185 0.000 1.145 54 Y CA 2.221 60.358 58.100 0.061 0.000 1.148 54 Y CB -0.329 38.112 38.460 -0.031 0.000 0.981 54 Y HN 0.172 nan 8.280 nan 0.000 0.507 55 Q N 0.911 120.795 119.800 0.140 0.000 2.050 55 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 55 Q C 2.282 178.325 176.000 0.073 0.000 0.980 55 Q CA 2.029 57.866 55.803 0.057 0.000 0.840 55 Q CB -0.221 28.596 28.738 0.130 0.000 0.898 55 Q HN 0.546 nan 8.270 nan 0.000 0.424 56 R N -0.540 120.050 120.500 0.151 0.000 2.148 56 R HA 0.022 4.362 4.340 -0.000 0.000 0.223 56 R C 2.250 178.669 176.300 0.197 0.000 1.088 56 R CA 0.827 57.036 56.100 0.181 0.000 0.985 56 R CB -0.186 30.270 30.300 0.261 0.000 0.880 56 R HN 0.235 nan 8.270 nan 0.000 0.451 57 A N 1.058 124.027 122.820 0.248 0.000 1.969 57 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 57 A C 1.972 179.716 177.584 0.266 0.000 1.169 57 A CA 1.001 53.243 52.037 0.342 0.000 0.635 57 A CB -0.219 19.086 19.000 0.508 0.000 0.810 57 A HN 0.180 nan 8.150 nan 0.000 0.445 58 R N -0.769 119.829 120.500 0.163 0.000 2.115 58 R HA -0.015 4.325 4.340 -0.000 0.000 0.230 58 R C 2.374 178.662 176.300 -0.020 0.000 1.111 58 R CA 1.229 57.332 56.100 0.005 0.000 0.976 58 R CB -0.209 30.038 30.300 -0.089 0.000 0.870 58 R HN 0.453 nan 8.270 nan 0.000 0.445 59 R N 0.156 120.663 120.500 0.012 0.000 2.090 59 R HA -0.081 4.259 4.340 -0.000 0.000 0.228 59 R C 2.152 178.428 176.300 -0.041 0.000 1.110 59 R CA 0.810 56.903 56.100 -0.011 0.000 0.973 59 R CB -0.288 30.019 30.300 0.011 0.000 0.869 59 R HN 0.105 nan 8.270 nan 0.000 0.440 60 L N 0.852 122.064 121.223 -0.019 0.000 2.093 60 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 60 L C 2.084 178.925 176.870 -0.049 0.000 1.085 60 L CA 1.623 56.424 54.840 -0.066 0.000 0.755 60 L CB -0.248 41.813 42.059 0.002 0.000 0.904 60 L HN 0.138 nan 8.230 nan 0.000 0.435 61 M N -1.141 118.441 119.600 -0.030 0.000 2.080 61 M HA -0.147 4.333 4.480 -0.000 0.000 0.260 61 M C 2.144 178.396 176.300 -0.081 0.000 1.068 61 M CA 1.833 57.092 55.300 -0.069 0.000 1.109 61 M CB -1.147 31.368 32.600 -0.143 0.000 1.342 61 M HN 0.463 nan 8.290 nan 0.000 0.405 62 G N -0.347 108.405 108.800 -0.079 0.000 2.408 62 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.217 62 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.217 62 G C 1.485 176.338 174.900 -0.079 0.000 1.150 62 G CA 0.913 45.968 45.100 -0.074 0.000 0.776 62 G HN 0.562 nan 8.290 nan 0.000 0.542 63 G N 0.919 109.665 108.800 -0.091 0.000 2.418 63 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 63 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 63 G C 1.796 176.623 174.900 -0.122 0.000 1.158 63 G CA 0.677 45.708 45.100 -0.114 0.000 0.771 63 G HN 0.413 nan 8.290 nan 0.000 0.545 64 L N -0.285 120.875 121.223 -0.105 0.000 2.093 64 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 64 L C 2.901 179.723 176.870 -0.080 0.000 1.085 64 L CA 1.040 55.826 54.840 -0.091 0.000 0.755 64 L CB -0.308 41.718 42.059 -0.055 0.000 0.904 64 L HN 0.179 nan 8.230 nan 0.000 0.435 65 R N 0.430 120.887 120.500 -0.072 0.000 2.081 65 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 65 R C 2.265 178.527 176.300 -0.064 0.000 1.131 65 R CA 1.454 57.517 56.100 -0.061 0.000 0.960 65 R CB -0.238 30.025 30.300 -0.061 0.000 0.856 65 R HN 0.333 nan 8.270 nan 0.000 0.436 66 A N 0.375 123.147 122.820 -0.079 0.000 2.067 66 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 66 A C 1.891 179.407 177.584 -0.113 0.000 1.158 66 A CA 0.864 52.851 52.037 -0.082 0.000 0.661 66 A CB -0.227 18.723 19.000 -0.085 0.000 0.801 66 A HN 0.356 nan 8.150 nan 0.000 0.452 67 L N -1.669 119.459 121.223 -0.157 0.000 2.592 67 L HA 0.215 4.555 4.340 -0.000 0.000 0.227 67 L C 1.572 178.408 176.870 -0.056 0.000 1.127 67 L CA 0.589 55.271 54.840 -0.263 0.000 0.884 67 L CB 0.027 41.846 42.059 -0.400 0.000 1.065 67 L HN 0.566 nan 8.230 nan 0.000 0.457 68 G N -0.062 108.722 108.800 -0.027 0.000 2.163 68 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.213 68 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.213 68 G C 0.121 175.022 174.900 0.002 0.000 0.991 68 G CA -0.209 44.898 45.100 0.010 0.000 0.653 68 G HN 0.047 nan 8.290 nan 0.000 0.518 69 V N 1.086 120.992 119.914 -0.013 0.000 2.488 69 V HA 0.650 4.770 4.120 -0.000 0.000 0.277 69 V C 1.169 177.251 176.094 -0.020 0.000 1.046 69 V CA 0.686 62.979 62.300 -0.013 0.000 0.986 69 V CB 1.096 32.910 31.823 -0.015 0.000 0.989 69 V HN 0.750 nan 8.190 nan 0.000 0.475 70 G N 3.081 111.871 108.800 -0.017 0.000 3.013 70 G HA2 0.576 4.536 3.960 -0.000 0.000 0.278 70 G HA3 0.576 4.536 3.960 -0.000 0.000 0.278 70 G C -0.683 174.206 174.900 -0.019 0.000 1.353 70 G CA -0.837 44.251 45.100 -0.021 0.000 1.043 70 G HN 0.503 nan 8.290 nan 0.000 0.523 71 V N 0.871 120.773 119.914 -0.021 0.000 2.557 71 V HA 0.370 4.490 4.120 -0.000 0.000 0.301 71 V C 1.685 177.771 176.094 -0.015 0.000 1.026 71 V CA 1.993 64.284 62.300 -0.016 0.000 1.137 71 V CB 0.290 32.100 31.823 -0.020 0.000 0.917 71 V HN 1.971 nan 8.190 nan 0.000 0.484 72 G N 3.764 112.557 108.800 -0.012 0.000 2.241 72 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.244 72 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.244 72 G C 0.015 174.895 174.900 -0.033 0.000 0.998 72 G CA 0.082 45.168 45.100 -0.023 0.000 0.621 72 G HN 0.668 nan 8.290 nan 0.000 0.519 73 D N 0.688 121.075 120.400 -0.022 0.000 2.399 73 D HA 0.503 5.143 4.640 -0.000 0.000 0.241 73 D C 0.895 177.185 176.300 -0.017 0.000 1.133 73 D CA 0.122 54.110 54.000 -0.021 0.000 0.890 73 D CB 0.555 41.348 40.800 -0.012 0.000 1.201 73 D HN 0.201 nan 8.370 nan 0.000 0.432 74 R N 0.446 120.936 120.500 -0.016 0.000 2.265 74 R HA 0.456 4.796 4.340 -0.000 0.000 0.319 74 R C -0.830 175.494 176.300 0.039 0.000 1.006 74 R CA -0.518 55.587 56.100 0.009 0.000 0.880 74 R CB 1.168 31.467 30.300 -0.002 0.000 1.077 74 R HN 0.090 nan 8.270 nan 0.000 0.454 75 V N 3.111 123.062 119.914 0.062 0.000 2.378 75 V HA 0.624 4.744 4.120 -0.000 0.000 0.288 75 V C -0.083 176.066 176.094 0.092 0.000 1.016 75 V CA -0.947 61.390 62.300 0.062 0.000 0.840 75 V CB 1.558 33.414 31.823 0.055 0.000 0.994 75 V HN 0.898 nan 8.190 nan 0.000 0.431 76 A N 3.958 126.816 122.820 0.064 0.000 2.304 76 A HA 0.872 5.192 4.320 -0.000 0.000 0.301 76 A C 0.360 177.943 177.584 -0.002 0.000 1.132 76 A CA -0.286 51.756 52.037 0.008 0.000 0.819 76 A CB 0.949 19.903 19.000 -0.077 0.000 1.094 76 A HN 0.917 nan 8.150 nan 0.000 0.492 77 T N -0.577 113.959 114.554 -0.029 0.000 2.887 77 T HA 0.672 5.022 4.350 -0.000 0.000 0.288 77 T C -0.711 173.942 174.700 -0.079 0.000 1.021 77 T CA -0.521 61.551 62.100 -0.046 0.000 1.000 77 T CB 0.989 69.812 68.868 -0.075 0.000 1.034 77 T HN 0.428 nan 8.240 nan 0.000 0.467 78 L N 2.262 123.438 121.223 -0.077 0.000 2.462 78 L HA 0.703 5.043 4.340 -0.000 0.000 0.255 78 L C 0.294 177.086 176.870 -0.131 0.000 1.076 78 L CA -0.364 54.396 54.840 -0.133 0.000 0.920 78 L CB 0.899 42.901 42.059 -0.096 0.000 1.214 78 L HN 1.148 nan 8.230 nan 0.000 0.472 79 G N 0.578 109.280 108.800 -0.163 0.000 2.623 79 G HA2 0.563 4.523 3.960 -0.000 0.000 0.290 79 G HA3 0.563 4.523 3.960 -0.000 0.000 0.290 79 G C -1.420 173.497 174.900 0.027 0.000 1.437 79 G CA -0.489 44.562 45.100 -0.081 0.000 0.798 79 G HN 0.039 nan 8.290 nan 0.000 0.488 80 F N -0.295 119.835 119.950 0.300 0.000 2.355 80 F HA 0.438 4.965 4.527 -0.000 0.000 0.340 80 F C 0.688 176.485 175.800 -0.005 0.000 1.067 80 F CA -0.903 57.219 58.000 0.204 0.000 1.116 80 F CB 0.745 39.838 39.000 0.155 0.000 1.582 80 F HN 0.143 nan 8.300 nan 0.000 0.512 81 N N 1.064 119.824 118.700 0.100 0.000 2.401 81 N HA 0.181 4.921 4.740 -0.000 0.000 0.255 81 N C -0.811 174.672 175.510 -0.046 0.000 1.110 81 N CA -0.117 52.844 53.050 -0.149 0.000 0.949 81 N CB -0.358 38.023 38.487 -0.177 0.000 1.110 81 N HN 0.598 nan 8.380 nan 0.000 0.490 82 H N -0.719 118.346 119.070 -0.009 0.000 2.948 82 H HA 0.118 4.673 4.556 -0.000 0.000 0.315 82 H C 0.374 175.684 175.328 -0.030 0.000 1.360 82 H CA -0.775 55.276 56.048 0.005 0.000 1.125 82 H CB 0.149 29.890 29.762 -0.035 0.000 1.844 82 H HN 0.231 nan 8.280 nan 0.000 0.529 83 F N 0.967 120.992 119.950 0.124 0.000 2.216 83 F HA 0.119 4.646 4.527 -0.000 0.000 0.300 83 F C 2.146 177.996 175.800 0.083 0.000 1.085 83 F CA 0.722 58.759 58.000 0.062 0.000 1.326 83 F CB -0.593 38.436 39.000 0.049 0.000 1.027 83 F HN 0.283 nan 8.300 nan 0.000 0.497 84 R N -0.559 119.496 120.500 -0.742 0.000 2.115 84 R HA -0.110 4.229 4.340 -0.000 0.000 0.226 84 R C 2.182 178.383 176.300 -0.166 0.000 1.100 84 R CA 1.464 57.180 56.100 -0.640 0.000 0.980 84 R CB -0.794 28.828 30.300 -1.129 0.000 0.875 84 R HN 0.519 nan 8.270 nan 0.000 0.445 85 H N -0.070 118.820 119.070 -0.299 0.000 2.389 85 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 85 H C 2.026 177.249 175.328 -0.175 0.000 1.081 85 H CA 0.894 56.764 56.048 -0.297 0.000 1.345 85 H CB 0.295 29.670 29.762 -0.646 0.000 1.393 85 H HN 0.035 nan 8.280 nan 0.000 0.520 86 L N 1.075 122.267 121.223 -0.052 0.000 2.093 86 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 86 L C 1.888 178.949 176.870 0.318 0.000 1.085 86 L CA 1.640 56.481 54.840 0.003 0.000 0.755 86 L CB -0.275 41.819 42.059 0.059 0.000 0.904 86 L HN 0.259 nan 8.230 nan 0.000 0.435 87 E N -0.461 119.929 120.200 0.316 0.000 2.077 87 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 87 E C 2.185 179.057 176.600 0.453 0.000 0.989 87 E CA 1.111 57.763 56.400 0.420 0.000 0.800 87 E CB -0.294 29.645 29.700 0.398 0.000 0.746 87 E HN 0.652 nan 8.360 nan 0.000 0.452 88 A N 0.379 123.435 122.820 0.394 0.000 1.930 88 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 88 A C 1.821 179.644 177.584 0.399 0.000 1.175 88 A CA 1.000 53.262 52.037 0.375 0.000 0.627 88 A CB -0.812 18.383 19.000 0.324 0.000 0.815 88 A HN 0.334 nan 8.150 nan 0.000 0.443 89 Y N -2.069 118.329 120.300 0.163 0.000 2.315 89 Y HA -0.254 4.296 4.550 -0.000 0.000 0.288 89 Y C 1.888 177.799 175.900 0.018 0.000 1.154 89 Y CA 1.429 59.520 58.100 -0.015 0.000 1.229 89 Y CB -0.110 38.133 38.460 -0.362 0.000 0.980 89 Y HN 0.404 nan 8.280 nan 0.000 0.540 90 F N -2.479 117.775 119.950 0.508 0.000 2.500 90 F HA 0.160 4.687 4.527 -0.000 0.000 0.285 90 F C 2.229 178.399 175.800 0.615 0.000 1.088 90 F CA 0.592 58.923 58.000 0.552 0.000 1.432 90 F CB -0.813 38.451 39.000 0.441 0.000 1.131 90 F HN -0.133 nan 8.300 nan 0.000 0.582 91 A N 0.103 123.322 122.820 0.666 0.000 1.902 91 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 91 A C 2.245 179.969 177.584 0.232 0.000 1.181 91 A CA 2.054 54.345 52.037 0.423 0.000 0.623 91 A CB -1.144 18.044 19.000 0.312 0.000 0.818 91 A HN 0.145 nan 8.150 nan 0.000 0.443 92 V N 0.412 120.458 119.914 0.220 0.000 2.270 92 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 92 V C -0.260 175.904 176.094 0.117 0.000 1.043 92 V CA 2.370 64.748 62.300 0.130 0.000 1.014 92 V CB -1.584 30.305 31.823 0.111 0.000 0.645 92 V HN 0.387 nan 8.190 nan 0.000 0.447 93 P HA -0.050 nan 4.420 nan 0.000 0.221 93 P C 1.678 179.150 177.300 0.286 0.000 1.150 93 P CA 1.600 64.794 63.100 0.156 0.000 0.800 93 P CB -0.289 31.422 31.700 0.019 0.000 0.787 94 G N 0.888 109.855 108.800 0.278 0.000 2.432 94 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 94 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 94 G C 1.257 176.064 174.900 -0.155 0.000 1.135 94 G CA 0.880 46.026 45.100 0.077 0.000 0.767 94 G HN 0.370 nan 8.290 nan 0.000 0.550 95 M N -0.777 118.774 119.600 -0.082 0.000 2.494 95 M HA 0.466 4.945 4.480 -0.000 0.000 0.232 95 M C 1.351 177.625 176.300 -0.044 0.000 1.137 95 M CA 0.754 55.992 55.300 -0.103 0.000 1.012 95 M CB 0.338 32.886 32.600 -0.086 0.000 1.567 95 M HN 0.315 nan 8.290 nan 0.000 0.486 96 G N 0.956 109.763 108.800 0.013 0.000 2.143 96 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.249 96 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.249 96 G C 0.124 175.052 174.900 0.047 0.000 0.981 96 G CA 0.161 45.286 45.100 0.042 0.000 0.665 96 G HN 0.942 nan 8.290 nan 0.000 0.528 97 A N -1.115 121.731 122.820 0.043 0.000 2.298 97 A HA 0.892 5.212 4.320 -0.000 0.000 0.302 97 A C 0.156 177.754 177.584 0.024 0.000 1.177 97 A CA 0.001 52.052 52.037 0.024 0.000 0.912 97 A CB 1.437 20.448 19.000 0.018 0.000 1.331 97 A HN 1.152 nan 8.150 nan 0.000 0.504 98 V N 0.796 120.714 119.914 0.007 0.000 2.357 98 V HA 0.301 4.421 4.120 -0.000 0.000 0.284 98 V C -0.552 175.561 176.094 0.032 0.000 1.018 98 V CA -0.311 61.985 62.300 -0.007 0.000 0.841 98 V CB 0.945 32.739 31.823 -0.048 0.000 0.991 98 V HN 0.693 nan 8.190 nan 0.000 0.437 99 L N 5.509 126.751 121.223 0.032 0.000 2.342 99 L HA 0.340 4.680 4.340 -0.000 0.000 0.285 99 L C 0.180 177.137 176.870 0.144 0.000 1.095 99 L CA 0.453 55.331 54.840 0.065 0.000 0.843 99 L CB -0.016 42.037 42.059 -0.010 0.000 1.201 99 L HN 0.745 nan 8.230 nan 0.000 0.445 100 H N 3.964 123.068 119.070 0.057 0.000 2.724 100 H HA 0.271 4.827 4.556 -0.000 0.000 0.278 100 H C -0.636 174.769 175.328 0.129 0.000 1.159 100 H CA -0.664 55.443 56.048 0.098 0.000 1.254 100 H CB 0.471 30.284 29.762 0.084 0.000 1.412 100 H HN 0.743 nan 8.280 nan 0.000 0.488 101 T N 2.684 117.384 114.554 0.243 0.000 2.727 101 T HA 0.510 4.860 4.350 -0.000 0.000 0.295 101 T C 0.382 175.141 174.700 0.098 0.000 0.915 101 T CA -0.880 61.330 62.100 0.183 0.000 1.066 101 T CB 1.107 70.131 68.868 0.261 0.000 0.891 101 T HN 0.560 nan 8.240 nan 0.000 0.516 102 A N 3.715 126.472 122.820 -0.104 0.000 2.312 102 A HA 0.623 4.943 4.320 -0.000 0.000 0.328 102 A C 0.299 177.769 177.584 -0.190 0.000 1.158 102 A CA -0.998 50.939 52.037 -0.168 0.000 0.821 102 A CB 0.686 19.482 19.000 -0.341 0.000 1.170 102 A HN 0.773 nan 8.150 nan 0.000 0.490 103 N N 2.361 120.953 118.700 -0.180 0.000 2.420 103 N HA 0.270 5.010 4.740 -0.000 0.000 0.249 103 N C -1.873 173.333 175.510 -0.506 0.000 1.033 103 N CA -2.093 50.677 53.050 -0.467 0.000 0.944 103 N CB 1.384 39.862 38.487 -0.015 0.000 1.113 103 N HN 0.302 nan 8.380 nan 0.000 0.502 104 P HA 0.021 nan 4.420 nan 0.000 0.236 104 P C 0.553 177.691 177.300 -0.270 0.000 1.177 104 P CA 0.647 63.463 63.100 -0.473 0.000 0.773 104 P CB 0.509 31.867 31.700 -0.569 0.000 0.878 105 R N -0.762 119.574 120.500 -0.274 0.000 2.275 105 R HA 0.180 4.520 4.340 -0.000 0.000 0.199 105 R C 1.166 177.521 176.300 0.091 0.000 0.989 105 R CA 0.006 56.063 56.100 -0.072 0.000 1.016 105 R CB -0.312 29.932 30.300 -0.095 0.000 0.918 105 R HN 0.263 nan 8.270 nan 0.000 0.473 106 L N 0.939 122.205 121.223 0.072 0.000 2.475 106 L HA 0.076 4.416 4.340 -0.000 0.000 0.253 106 L C 0.943 177.883 176.870 0.117 0.000 1.198 106 L CA -0.394 54.543 54.840 0.161 0.000 0.814 106 L CB 0.463 42.592 42.059 0.118 0.000 1.134 106 L HN 0.076 nan 8.230 nan 0.000 0.478 107 S N -0.017 115.744 115.700 0.103 0.000 2.572 107 S HA 0.123 4.593 4.470 -0.000 0.000 0.279 107 S C -1.850 172.751 174.600 0.002 0.000 1.341 107 S CA -0.988 57.232 58.200 0.033 0.000 1.043 107 S CB 0.890 64.068 63.200 -0.037 0.000 0.887 107 S HN 0.394 nan 8.310 nan 0.000 0.516 108 P HA -0.121 nan 4.420 nan 0.000 0.217 108 P C 1.302 178.588 177.300 -0.023 0.000 1.148 108 P CA 1.303 64.387 63.100 -0.027 0.000 0.828 108 P CB 0.082 31.762 31.700 -0.032 0.000 0.783 109 K N -0.093 120.288 120.400 -0.033 0.000 2.097 109 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 109 K C 1.985 178.590 176.600 0.009 0.000 1.050 109 K CA 1.286 57.557 56.287 -0.027 0.000 0.938 109 K CB -0.135 32.322 32.500 -0.071 0.000 0.718 109 K HN 0.077 nan 8.250 nan 0.000 0.442 110 E N 0.299 120.500 120.200 0.001 0.000 2.072 110 E HA -0.154 4.195 4.350 -0.000 0.000 0.191 110 E C 1.960 178.600 176.600 0.067 0.000 0.985 110 E CA 1.248 57.673 56.400 0.042 0.000 0.801 110 E CB -0.013 29.711 29.700 0.039 0.000 0.750 110 E HN 0.312 nan 8.360 nan 0.000 0.452 111 I N 1.011 121.593 120.570 0.019 0.000 2.202 111 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 111 I C 2.535 178.645 176.117 -0.013 0.000 1.091 111 I CA 0.940 62.230 61.300 -0.018 0.000 1.368 111 I CB -0.305 37.664 38.000 -0.050 0.000 1.058 111 I HN 0.078 nan 8.210 nan 0.000 0.410 112 A N 0.268 123.093 122.820 0.010 0.000 1.908 112 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 112 A C 2.327 179.933 177.584 0.036 0.000 1.181 112 A CA 1.744 53.792 52.037 0.018 0.000 0.627 112 A CB -1.102 17.912 19.000 0.023 0.000 0.818 112 A HN 0.568 nan 8.150 nan 0.000 0.445 113 Y N 0.274 120.548 120.300 -0.043 0.000 2.145 113 Y HA -0.174 4.376 4.550 -0.000 0.000 0.286 113 Y C 1.990 177.852 175.900 -0.063 0.000 1.145 113 Y CA 1.957 60.036 58.100 -0.035 0.000 1.148 113 Y CB -0.226 38.208 38.460 -0.044 0.000 0.981 113 Y HN 0.252 nan 8.280 nan 0.000 0.507 114 I N -0.062 120.393 120.570 -0.191 0.000 2.252 114 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 114 I C 2.223 178.158 176.117 -0.304 0.000 1.102 114 I CA 1.192 62.195 61.300 -0.495 0.000 1.385 114 I CB -0.344 37.416 38.000 -0.402 0.000 1.064 114 I HN 0.285 nan 8.210 nan 0.000 0.414 115 L N 0.224 121.380 121.223 -0.111 0.000 2.093 115 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 115 L C 2.182 179.029 176.870 -0.038 0.000 1.085 115 L CA 1.021 55.854 54.840 -0.012 0.000 0.755 115 L CB -0.663 41.383 42.059 -0.022 0.000 0.904 115 L HN 0.318 nan 8.230 nan 0.000 0.435 116 N N -1.122 117.525 118.700 -0.088 0.000 2.216 116 N HA -0.184 4.556 4.740 -0.000 0.000 0.183 116 N C 1.844 177.290 175.510 -0.106 0.000 1.017 116 N CA 0.929 53.929 53.050 -0.083 0.000 0.861 116 N CB -0.263 38.183 38.487 -0.068 0.000 0.986 116 N HN 0.388 nan 8.380 nan 0.000 0.428 117 H N 0.598 119.481 119.070 -0.311 0.000 2.363 117 H HA 0.101 4.657 4.556 -0.000 0.000 0.301 117 H C 1.425 176.774 175.328 0.035 0.000 1.074 117 H CA 1.415 57.321 56.048 -0.237 0.000 1.354 117 H CB 0.308 29.778 29.762 -0.488 0.000 1.397 117 H HN 0.150 nan 8.280 nan 0.000 0.516 118 A N 0.559 123.444 122.820 0.107 0.000 2.119 118 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 118 A C 0.733 178.319 177.584 0.004 0.000 1.152 118 A CA 0.728 52.815 52.037 0.084 0.000 0.708 118 A CB -0.125 18.823 19.000 -0.086 0.000 0.805 118 A HN 0.635 nan 8.150 nan 0.000 0.460 119 E N 0.989 121.185 120.200 -0.006 0.000 2.271 119 E HA -0.141 4.209 4.350 -0.000 0.000 0.223 119 E C -1.256 175.336 176.600 -0.013 0.000 1.223 119 E CA 0.515 56.903 56.400 -0.020 0.000 0.704 119 E CB -1.608 28.077 29.700 -0.025 0.000 1.194 119 E HN 0.705 nan 8.360 nan 0.000 0.375 120 D N 0.599 121.006 120.400 0.012 0.000 2.455 120 D HA -0.014 4.626 4.640 -0.000 0.000 0.241 120 D C 1.142 177.420 176.300 -0.038 0.000 1.138 120 D CA 0.417 54.427 54.000 0.018 0.000 0.877 120 D CB 1.163 42.002 40.800 0.064 0.000 1.187 120 D HN 0.218 nan 8.370 nan 0.000 0.451 121 K N 0.967 121.347 120.400 -0.034 0.000 2.202 121 K HA 0.072 4.392 4.320 -0.000 0.000 0.201 121 K C -0.000 176.554 176.600 -0.077 0.000 1.051 121 K CA 0.472 56.729 56.287 -0.050 0.000 0.977 121 K CB 0.579 33.071 32.500 -0.014 0.000 0.792 121 K HN 0.196 nan 8.250 nan 0.000 0.469 122 V N 1.843 121.723 119.914 -0.056 0.000 2.709 122 V HA 0.349 4.469 4.120 -0.000 0.000 0.308 122 V C -1.442 174.617 176.094 -0.059 0.000 1.062 122 V CA -1.081 61.183 62.300 -0.060 0.000 0.901 122 V CB 1.784 33.613 31.823 0.010 0.000 1.003 122 V HN 0.092 nan 8.190 nan 0.000 0.425 123 L N 5.197 126.371 121.223 -0.081 0.000 2.325 123 L HA 0.713 5.053 4.340 -0.000 0.000 0.281 123 L C -1.182 175.809 176.870 0.202 0.000 1.004 123 L CA -0.146 54.715 54.840 0.035 0.000 0.823 123 L CB 1.354 43.419 42.059 0.011 0.000 1.236 123 L HN 0.534 nan 8.230 nan 0.000 0.415 124 L N 6.703 128.024 121.223 0.162 0.000 2.282 124 L HA 0.653 4.992 4.340 -0.000 0.000 0.288 124 L C -0.636 176.344 176.870 0.184 0.000 1.033 124 L CA 0.080 55.011 54.840 0.151 0.000 0.807 124 L CB 1.180 43.291 42.059 0.086 0.000 1.209 124 L HN 0.618 nan 8.230 nan 0.000 0.423 125 F N -0.335 119.616 119.950 0.003 0.000 2.631 125 F HA 0.616 5.143 4.527 -0.000 0.000 0.308 125 F C -0.675 175.092 175.800 -0.055 0.000 1.097 125 F CA -1.365 56.610 58.000 -0.041 0.000 0.952 125 F CB 0.846 39.839 39.000 -0.012 0.000 1.307 125 F HN 0.253 nan 8.300 nan 0.000 0.450 126 D N 3.879 124.304 120.400 0.042 0.000 2.372 126 D HA 0.240 4.880 4.640 -0.000 0.000 0.243 126 D C -1.730 174.507 176.300 -0.106 0.000 1.121 126 D CA -1.720 52.240 54.000 -0.067 0.000 0.898 126 D CB 1.137 41.987 40.800 0.084 0.000 1.202 126 D HN 0.305 nan 8.370 nan 0.000 0.428 127 P HA -0.151 nan 4.420 nan 0.000 0.215 127 P C 0.589 177.760 177.300 -0.216 0.000 1.153 127 P CA 1.269 64.219 63.100 -0.251 0.000 0.853 127 P CB -0.073 31.465 31.700 -0.271 0.000 0.788 128 N N -0.707 117.765 118.700 -0.380 0.000 2.609 128 N HA -0.068 4.672 4.740 -0.000 0.000 0.190 128 N C 1.042 176.522 175.510 -0.050 0.000 1.157 128 N CA 0.539 53.437 53.050 -0.253 0.000 0.918 128 N CB -0.881 37.408 38.487 -0.330 0.000 0.978 128 N HN 0.162 nan 8.380 nan 0.000 0.448 129 L N -0.402 120.841 121.223 0.034 0.000 2.857 129 L HA 0.264 4.604 4.340 -0.000 0.000 0.249 129 L C 1.391 178.284 176.870 0.039 0.000 1.172 129 L CA -0.260 54.621 54.840 0.068 0.000 0.980 129 L CB 0.150 42.274 42.059 0.108 0.000 1.299 129 L HN 0.165 nan 8.230 nan 0.000 0.535 130 L N 1.579 122.849 121.223 0.078 0.000 2.012 130 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 130 L C -0.519 176.278 176.870 -0.121 0.000 1.073 130 L CA 2.234 57.074 54.840 -0.001 0.000 0.748 130 L CB -1.023 41.021 42.059 -0.025 0.000 0.891 130 L HN 0.098 nan 8.230 nan 0.000 0.431 131 P HA -0.203 nan 4.420 nan 0.000 0.216 131 P C 1.896 179.145 177.300 -0.085 0.000 1.153 131 P CA 1.404 64.463 63.100 -0.068 0.000 0.858 131 P CB -0.151 31.526 31.700 -0.039 0.000 0.789 132 L N -0.881 120.286 121.223 -0.095 0.000 2.056 132 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 132 L C 2.090 178.864 176.870 -0.161 0.000 1.078 132 L CA 1.789 56.566 54.840 -0.105 0.000 0.749 132 L CB -1.098 40.906 42.059 -0.091 0.000 0.901 132 L HN -0.206 nan 8.230 nan 0.000 0.433 133 V N 0.069 119.821 119.914 -0.271 0.000 2.358 133 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 133 V C 2.544 178.495 176.094 -0.239 0.000 1.047 133 V CA 1.922 63.999 62.300 -0.370 0.000 1.035 133 V CB -0.721 30.569 31.823 -0.887 0.000 0.658 133 V HN 0.492 nan 8.190 nan 0.000 0.452 134 E N 0.464 120.559 120.200 -0.176 0.000 2.153 134 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 134 E C 2.313 178.860 176.600 -0.089 0.000 0.988 134 E CA 1.347 57.692 56.400 -0.092 0.000 0.811 134 E CB -0.253 29.416 29.700 -0.052 0.000 0.746 134 E HN 0.612 nan 8.360 nan 0.000 0.466 135 A N 1.746 124.514 122.820 -0.088 0.000 1.898 135 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 135 A C 2.245 179.791 177.584 -0.064 0.000 1.181 135 A CA 1.235 53.233 52.037 -0.066 0.000 0.620 135 A CB -0.540 18.426 19.000 -0.057 0.000 0.819 135 A HN 0.357 nan 8.150 nan 0.000 0.442 136 I N -3.673 116.852 120.570 -0.075 0.000 3.783 136 I HA 0.230 4.400 4.170 -0.000 0.000 0.310 136 I C 2.015 178.106 176.117 -0.043 0.000 1.274 136 I CA 0.738 62.007 61.300 -0.052 0.000 1.294 136 I CB -0.104 37.869 38.000 -0.046 0.000 1.051 136 I HN 0.181 nan 8.210 nan 0.000 0.435 137 R N 2.117 122.563 120.500 -0.090 0.000 2.119 137 R HA -0.157 4.183 4.340 -0.000 0.000 0.246 137 R C 2.225 178.496 176.300 -0.049 0.000 1.146 137 R CA 2.237 58.263 56.100 -0.124 0.000 0.962 137 R CB -0.859 29.254 30.300 -0.312 0.000 0.863 137 R HN 0.517 nan 8.270 nan 0.000 0.442 138 G N -0.732 108.036 108.800 -0.054 0.000 2.509 138 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 138 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 138 G C 1.074 175.969 174.900 -0.009 0.000 1.124 138 G CA 0.561 45.642 45.100 -0.031 0.000 0.776 138 G HN 0.337 nan 8.290 nan 0.000 0.547 139 E N -0.521 119.678 120.200 -0.002 0.000 2.400 139 E HA 0.215 4.565 4.350 -0.000 0.000 0.195 139 E C 0.973 177.586 176.600 0.021 0.000 1.012 139 E CA -0.227 56.177 56.400 0.008 0.000 0.875 139 E CB 0.045 29.747 29.700 0.005 0.000 0.859 139 E HN 0.306 nan 8.360 nan 0.000 0.498 140 L N 0.992 122.240 121.223 0.043 0.000 2.367 140 L HA 0.200 4.540 4.340 -0.000 0.000 0.275 140 L C 1.000 177.897 176.870 0.045 0.000 1.129 140 L CA 0.218 55.093 54.840 0.059 0.000 0.839 140 L CB 0.923 43.064 42.059 0.136 0.000 1.133 140 L HN -0.067 nan 8.230 nan 0.000 0.453 141 K N 0.137 120.547 120.400 0.015 0.000 2.391 141 K HA 0.047 4.367 4.320 -0.000 0.000 0.197 141 K C 1.382 177.973 176.600 -0.016 0.000 1.087 141 K CA 0.568 56.855 56.287 0.001 0.000 1.012 141 K CB 0.629 33.126 32.500 -0.006 0.000 0.925 141 K HN 0.795 nan 8.250 nan 0.000 0.547 142 T N -2.644 111.893 114.554 -0.028 0.000 2.964 142 T HA 0.144 4.494 4.350 -0.000 0.000 0.249 142 T C 0.669 175.313 174.700 -0.092 0.000 1.000 142 T CA -0.312 61.757 62.100 -0.051 0.000 0.992 142 T CB 0.008 68.850 68.868 -0.044 0.000 1.087 142 T HN -0.219 nan 8.240 nan 0.000 0.489 143 V N 3.284 123.122 119.914 -0.128 0.000 2.458 143 V HA 0.109 4.228 4.120 -0.000 0.000 0.287 143 V C 1.167 177.056 176.094 -0.342 0.000 1.009 143 V CA 0.341 62.459 62.300 -0.302 0.000 1.091 143 V CB 0.305 31.808 31.823 -0.532 0.000 0.960 143 V HN 0.500 nan 8.190 nan 0.000 0.476 144 Q N 2.615 122.215 119.800 -0.333 0.000 2.339 144 Q HA 0.160 4.500 4.340 -0.000 0.000 0.205 144 Q C -0.231 175.372 176.000 -0.662 0.000 0.925 144 Q CA 0.670 56.225 55.803 -0.413 0.000 0.898 144 Q CB 0.486 29.005 28.738 -0.364 0.000 1.013 144 Q HN 0.887 nan 8.270 nan 0.000 0.504 145 H N -1.230 117.673 119.070 -0.277 0.000 2.759 145 H HA 0.326 4.882 4.556 -0.000 0.000 0.354 145 H C -1.586 173.572 175.328 -0.283 0.000 1.074 145 H CA -0.574 55.376 56.048 -0.163 0.000 1.226 145 H CB 1.096 30.817 29.762 -0.067 0.000 1.648 145 H HN -0.075 nan 8.280 nan 0.000 0.529 146 F N 2.483 122.554 119.950 0.202 0.000 2.402 146 F HA 0.426 4.953 4.527 -0.000 0.000 0.355 146 F C -0.358 175.672 175.800 0.384 0.000 1.123 146 F CA -0.863 57.340 58.000 0.337 0.000 1.021 146 F CB 1.210 40.425 39.000 0.357 0.000 1.160 146 F HN 0.193 nan 8.300 nan 0.000 0.451 147 V N 4.677 124.848 119.914 0.427 0.000 2.384 147 V HA 0.367 4.487 4.120 -0.000 0.000 0.287 147 V C -0.267 175.745 176.094 -0.137 0.000 1.020 147 V CA -0.939 61.466 62.300 0.175 0.000 0.850 147 V CB 1.634 33.525 31.823 0.113 0.000 0.987 147 V HN 0.449 nan 8.190 nan 0.000 0.436 148 V N 6.177 125.912 119.914 -0.298 0.000 2.432 148 V HA 0.256 4.376 4.120 -0.000 0.000 0.271 148 V C 0.651 176.558 176.094 -0.310 0.000 1.046 148 V CA -0.269 61.637 62.300 -0.658 0.000 0.945 148 V CB 1.194 32.706 31.823 -0.519 0.000 0.992 148 V HN 0.842 nan 8.190 nan 0.000 0.471 149 M N 5.274 124.657 119.600 -0.362 0.000 3.254 149 M HA 0.249 4.729 4.480 -0.000 0.000 0.257 149 M C -0.395 175.681 176.300 -0.373 0.000 1.490 149 M CA 0.732 55.826 55.300 -0.343 0.000 1.620 149 M CB -0.620 31.756 32.600 -0.374 0.000 1.157 149 M HN 0.734 nan 8.290 nan 0.000 0.541 150 D N -0.388 119.880 120.400 -0.221 0.000 2.738 150 D HA 0.150 4.790 4.640 -0.000 0.000 0.308 150 D C 0.048 176.331 176.300 -0.029 0.000 1.311 150 D CA -0.434 53.478 54.000 -0.147 0.000 0.799 150 D CB 1.029 41.751 40.800 -0.130 0.000 1.332 150 D HN 0.312 nan 8.370 nan 0.000 0.441 151 E N -0.346 119.854 120.200 0.000 0.000 2.152 151 E HA -0.023 4.327 4.350 -0.000 0.000 0.192 151 E C 0.090 176.709 176.600 0.032 0.000 0.983 151 E CA 0.786 57.210 56.400 0.040 0.000 0.818 151 E CB 0.349 30.075 29.700 0.043 0.000 0.758 151 E HN 0.034 nan 8.360 nan 0.000 0.467 152 K N -0.474 119.932 120.400 0.010 0.000 2.443 152 K HA 0.698 5.018 4.320 -0.000 0.000 0.251 152 K C -1.002 175.595 176.600 -0.005 0.000 0.972 152 K CA -0.814 55.480 56.287 0.012 0.000 0.833 152 K CB 2.278 34.786 32.500 0.013 0.000 1.317 152 K HN -0.027 nan 8.250 nan 0.000 0.441 153 A N 1.856 124.687 122.820 0.019 0.000 2.515 153 A HA 0.755 5.075 4.320 -0.000 0.000 0.298 153 A C -2.624 175.001 177.584 0.069 0.000 1.059 153 A CA -1.165 50.889 52.037 0.028 0.000 0.698 153 A CB 1.012 20.057 19.000 0.075 0.000 1.289 153 A HN 0.466 nan 8.150 nan 0.000 0.404 154 P HA 0.317 nan 4.420 nan 0.000 0.289 154 P C -0.482 176.940 177.300 0.203 0.000 1.299 154 P CA -0.600 62.566 63.100 0.110 0.000 0.766 154 P CB 0.353 32.095 31.700 0.071 0.000 1.226 155 E N -0.126 120.172 120.200 0.163 0.000 2.465 155 E HA 0.185 4.535 4.350 -0.000 0.000 0.260 155 E C 1.123 177.811 176.600 0.148 0.000 0.980 155 E CA 1.363 57.841 56.400 0.131 0.000 0.927 155 E CB -0.068 29.680 29.700 0.080 0.000 0.934 155 E HN 0.809 nan 8.360 nan 0.000 0.459 156 G N 3.013 111.843 108.800 0.050 0.000 2.179 156 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.260 156 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.260 156 G C -0.249 174.508 174.900 -0.239 0.000 0.977 156 G CA 0.337 45.373 45.100 -0.107 0.000 0.641 156 G HN 0.485 nan 8.290 nan 0.000 0.533 157 Y N -1.247 119.111 120.300 0.095 0.000 2.509 157 Y HA 0.754 5.304 4.550 -0.000 0.000 0.341 157 Y C 0.162 176.132 175.900 0.117 0.000 1.038 157 Y CA -1.199 56.991 58.100 0.150 0.000 1.089 157 Y CB 1.854 40.406 38.460 0.153 0.000 1.241 157 Y HN 0.179 nan 8.280 nan 0.000 0.468 158 L N 2.148 123.545 121.223 0.290 0.000 2.329 158 L HA 0.824 5.164 4.340 -0.000 0.000 0.279 158 L C -0.381 176.560 176.870 0.118 0.000 1.014 158 L CA -0.558 54.380 54.840 0.163 0.000 0.814 158 L CB 1.212 43.350 42.059 0.131 0.000 1.257 158 L HN 0.738 nan 8.230 nan 0.000 0.424 159 A N 3.579 126.444 122.820 0.075 0.000 2.354 159 A HA 0.200 4.520 4.320 -0.000 0.000 0.269 159 A C 0.356 177.983 177.584 0.072 0.000 1.109 159 A CA -0.166 51.904 52.037 0.055 0.000 0.800 159 A CB -0.020 19.008 19.000 0.048 0.000 1.045 159 A HN 0.874 nan 8.150 nan 0.000 0.489 160 Y N 1.068 121.333 120.300 -0.058 0.000 2.165 160 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 160 Y C 1.952 177.842 175.900 -0.018 0.000 1.155 160 Y CA 2.650 60.720 58.100 -0.050 0.000 1.164 160 Y CB 0.185 38.590 38.460 -0.092 0.000 0.978 160 Y HN 0.749 nan 8.280 nan 0.000 0.513 161 E N 0.385 120.713 120.200 0.214 0.000 2.204 161 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 161 E C 1.920 178.545 176.600 0.041 0.000 0.989 161 E CA 1.499 57.985 56.400 0.144 0.000 0.824 161 E CB -0.213 29.576 29.700 0.148 0.000 0.756 161 E HN 0.720 nan 8.360 nan 0.000 0.477 162 E N 0.762 120.976 120.200 0.024 0.000 2.112 162 E HA -0.002 4.348 4.350 -0.000 0.000 0.190 162 E C 1.982 178.557 176.600 -0.043 0.000 0.979 162 E CA 0.778 57.178 56.400 -0.000 0.000 0.814 162 E CB -0.034 29.674 29.700 0.014 0.000 0.762 162 E HN 0.175 nan 8.360 nan 0.000 0.460 163 A N 1.376 124.147 122.820 -0.082 0.000 2.067 163 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 163 A C 1.147 178.626 177.584 -0.176 0.000 1.158 163 A CA 0.334 52.288 52.037 -0.138 0.000 0.661 163 A CB -0.526 18.372 19.000 -0.169 0.000 0.801 163 A HN 0.096 nan 8.150 nan 0.000 0.452 164 L N 0.050 121.158 121.223 -0.192 0.000 2.490 164 L HA 0.303 4.643 4.340 -0.000 0.000 0.274 164 L C 1.122 177.939 176.870 -0.090 0.000 1.201 164 L CA -0.057 54.687 54.840 -0.159 0.000 0.869 164 L CB 0.325 42.317 42.059 -0.111 0.000 1.123 164 L HN 0.342 nan 8.230 nan 0.000 0.484 165 G N 2.667 111.420 108.800 -0.079 0.000 3.119 165 G HA2 0.338 4.298 3.960 -0.000 0.000 0.206 165 G HA3 0.338 4.298 3.960 -0.000 0.000 0.206 165 G C -0.656 174.221 174.900 -0.038 0.000 1.313 165 G CA -0.586 44.480 45.100 -0.056 0.000 1.010 165 G HN 0.549 nan 8.290 nan 0.000 0.578 166 E N 0.755 120.934 120.200 -0.035 0.000 2.404 166 E HA 0.082 4.432 4.350 -0.000 0.000 0.261 166 E C -0.257 176.324 176.600 -0.032 0.000 1.074 166 E CA 0.165 56.549 56.400 -0.026 0.000 0.917 166 E CB 1.054 30.739 29.700 -0.024 0.000 0.965 166 E HN 0.353 nan 8.360 nan 0.000 0.433 167 E N 0.389 120.574 120.200 -0.025 0.000 2.465 167 E HA 0.167 4.517 4.350 -0.000 0.000 0.260 167 E C -0.740 175.829 176.600 -0.052 0.000 0.980 167 E CA -0.042 56.337 56.400 -0.035 0.000 0.927 167 E CB 0.776 30.462 29.700 -0.023 0.000 0.934 167 E HN 0.403 nan 8.360 nan 0.000 0.459 168 A N 3.994 126.765 122.820 -0.082 0.000 2.374 168 A HA 0.318 4.638 4.320 -0.000 0.000 0.317 168 A C -0.705 176.792 177.584 -0.146 0.000 1.094 168 A CA -0.937 51.038 52.037 -0.103 0.000 0.765 168 A CB 1.131 20.062 19.000 -0.114 0.000 1.268 168 A HN 0.506 nan 8.150 nan 0.000 0.438 169 D N 2.639 122.963 120.400 -0.127 0.000 2.372 169 D HA 0.359 4.999 4.640 -0.000 0.000 0.243 169 D C -2.016 174.122 176.300 -0.272 0.000 1.121 169 D CA -0.481 53.429 54.000 -0.151 0.000 0.898 169 D CB 0.600 41.352 40.800 -0.081 0.000 1.202 169 D HN 0.327 nan 8.370 nan 0.000 0.428 170 P HA 0.032 nan 4.420 nan 0.000 0.269 170 P C -0.446 176.680 177.300 -0.291 0.000 1.215 170 P CA -0.310 62.446 63.100 -0.573 0.000 0.780 170 P CB 0.660 31.816 31.700 -0.906 0.000 0.898 171 V N 3.410 123.180 119.914 -0.240 0.000 2.439 171 V HA 0.295 4.415 4.120 -0.000 0.000 0.282 171 V C 0.863 176.878 176.094 -0.132 0.000 1.039 171 V CA -0.477 61.735 62.300 -0.147 0.000 0.913 171 V CB 0.814 32.570 31.823 -0.112 0.000 0.983 171 V HN 0.477 nan 8.190 nan 0.000 0.460 172 R N 3.331 123.768 120.500 -0.105 0.000 2.297 172 R HA 0.664 5.004 4.340 -0.000 0.000 0.308 172 R C -0.734 175.504 176.300 -0.104 0.000 1.029 172 R CA -0.169 55.868 56.100 -0.105 0.000 0.929 172 R CB 1.329 31.586 30.300 -0.071 0.000 1.046 172 R HN 0.710 nan 8.270 nan 0.000 0.461 173 V N 1.466 121.295 119.914 -0.142 0.000 3.040 173 V HA 0.723 4.843 4.120 -0.000 0.000 0.312 173 V C -2.495 173.535 176.094 -0.107 0.000 1.115 173 V CA -2.831 59.403 62.300 -0.110 0.000 0.998 173 V CB 1.813 33.578 31.823 -0.096 0.000 1.042 173 V HN 0.661 nan 8.190 nan 0.000 0.433 174 P HA 0.139 nan 4.420 nan 0.000 0.265 174 P C 0.841 178.121 177.300 -0.033 0.000 1.193 174 P CA 0.214 63.290 63.100 -0.039 0.000 0.765 174 P CB 0.409 32.097 31.700 -0.019 0.000 0.823 175 E N 3.488 123.674 120.200 -0.023 0.000 2.209 175 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 175 E C 1.090 177.730 176.600 0.067 0.000 0.993 175 E CA 1.078 57.486 56.400 0.014 0.000 0.819 175 E CB -0.318 29.395 29.700 0.022 0.000 0.745 175 E HN 0.396 nan 8.360 nan 0.000 0.477 176 R N 0.836 121.360 120.500 0.041 0.000 2.307 176 R HA 0.185 4.525 4.340 -0.000 0.000 0.199 176 R C 0.657 176.982 176.300 0.042 0.000 1.000 176 R CA 0.268 56.391 56.100 0.039 0.000 1.023 176 R CB 0.095 30.406 30.300 0.018 0.000 0.908 176 R HN 0.153 nan 8.270 nan 0.000 0.473 177 A N 1.271 124.126 122.820 0.059 0.000 2.425 177 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 177 A C 0.179 177.818 177.584 0.091 0.000 1.077 177 A CA -0.275 51.799 52.037 0.062 0.000 0.781 177 A CB 0.300 19.334 19.000 0.057 0.000 1.020 177 A HN 0.322 nan 8.150 nan 0.000 0.494 178 A N 0.155 122.993 122.820 0.029 0.000 2.520 178 A HA 0.324 4.644 4.320 -0.000 0.000 0.245 178 A C 1.177 178.746 177.584 -0.024 0.000 1.072 178 A CA 0.289 52.315 52.037 -0.019 0.000 0.761 178 A CB -0.621 18.339 19.000 -0.067 0.000 1.004 178 A HN 1.979 nan 8.150 nan 0.000 0.499 179 C N 0.726 119.944 119.300 -0.137 0.000 3.123 179 C HA 0.672 5.132 4.460 -0.000 0.000 0.399 179 C C 0.937 175.838 174.990 -0.148 0.000 1.320 179 C CA 0.243 59.081 59.018 -0.300 0.000 1.949 179 C CB -0.589 26.643 27.740 -0.847 0.000 2.692 179 C HN 1.404 nan 8.230 nan 0.000 0.623 180 G N 0.906 109.680 108.800 -0.043 0.000 2.623 180 G HA2 0.668 4.628 3.960 -0.000 0.000 0.290 180 G HA3 0.668 4.628 3.960 -0.000 0.000 0.290 180 G C -1.426 173.543 174.900 0.115 0.000 1.437 180 G CA -0.109 45.030 45.100 0.065 0.000 0.798 180 G HN 0.887 nan 8.290 nan 0.000 0.488 181 M N -0.360 119.323 119.600 0.139 0.000 2.520 181 M HA 0.848 5.327 4.480 -0.000 0.000 0.280 181 M C -1.724 174.715 176.300 0.231 0.000 1.232 181 M CA -0.977 54.312 55.300 -0.019 0.000 0.892 181 M CB 2.204 34.672 32.600 -0.220 0.000 1.728 181 M HN 1.727 nan 8.290 nan 0.000 0.475 182 A N 1.984 124.890 122.820 0.143 0.000 2.520 182 A HA 0.788 5.108 4.320 -0.000 0.000 0.298 182 A C -2.416 175.313 177.584 0.241 0.000 1.051 182 A CA -0.488 51.774 52.037 0.375 0.000 0.690 182 A CB 1.448 20.717 19.000 0.448 0.000 1.281 182 A HN 0.791 nan 8.150 nan 0.000 0.402 183 Y N 0.494 120.935 120.300 0.234 0.000 2.342 183 Y HA 0.590 5.140 4.550 -0.000 0.000 0.334 183 Y C 1.149 177.163 175.900 0.190 0.000 1.067 183 Y CA -0.081 58.128 58.100 0.181 0.000 1.128 183 Y CB 2.054 40.623 38.460 0.182 0.000 1.200 183 Y HN 0.649 nan 8.280 nan 0.000 0.464 184 T N 0.629 115.329 114.554 0.243 0.000 2.882 184 T HA 0.291 4.641 4.350 -0.000 0.000 0.287 184 T C 0.740 175.503 174.700 0.106 0.000 0.992 184 T CA -0.309 61.900 62.100 0.181 0.000 1.076 184 T CB 0.475 69.415 68.868 0.121 0.000 0.961 184 T HN 0.797 nan 8.240 nan 0.000 0.490 185 T N 1.066 115.678 114.554 0.096 0.000 3.092 185 T HA 0.289 4.639 4.350 -0.000 0.000 0.258 185 T C 1.287 175.802 174.700 -0.308 0.000 1.031 185 T CA -0.065 62.057 62.100 0.037 0.000 0.925 185 T CB 0.164 69.178 68.868 0.243 0.000 1.036 185 T HN 0.663 nan 8.240 nan 0.000 0.544 186 G N 1.378 109.695 108.800 -0.804 0.000 3.541 186 G HA2 0.452 4.412 3.960 -0.000 0.000 0.253 186 G HA3 0.452 4.412 3.960 -0.000 0.000 0.253 186 G C -0.229 174.200 174.900 -0.785 0.000 1.017 186 G CA -0.195 43.896 45.100 -1.681 0.000 1.832 186 G HN 0.509 nan 8.290 nan 0.000 0.649 187 T N -0.976 113.311 114.554 -0.446 0.000 2.830 187 T HA 0.460 4.810 4.350 -0.000 0.000 0.322 187 T C -0.416 174.184 174.700 -0.167 0.000 1.501 187 T CA -0.437 61.507 62.100 -0.259 0.000 1.036 187 T CB 1.306 70.040 68.868 -0.224 0.000 1.379 187 T HN -0.015 nan 8.240 nan 0.000 0.493 188 T N 2.776 117.255 114.554 -0.124 0.000 2.907 188 T HA 0.599 4.949 4.350 -0.000 0.000 0.298 188 T C 1.032 175.677 174.700 -0.093 0.000 1.017 188 T CA 0.897 62.946 62.100 -0.085 0.000 1.118 188 T CB 0.427 69.257 68.868 -0.063 0.000 0.948 188 T HN 1.475 nan 8.240 nan 0.000 0.531 189 G N 2.242 110.994 108.800 -0.080 0.000 2.498 189 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.245 189 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.245 189 G C -0.423 174.397 174.900 -0.133 0.000 1.204 189 G CA -0.620 44.420 45.100 -0.100 0.000 0.933 189 G HN 0.812 nan 8.290 nan 0.000 0.574 190 L N 2.491 123.609 121.223 -0.174 0.000 2.461 190 L HA 0.354 4.694 4.340 -0.000 0.000 0.272 190 L C -1.594 175.206 176.870 -0.117 0.000 1.197 190 L CA -1.413 53.280 54.840 -0.245 0.000 0.836 190 L CB 0.443 42.305 42.059 -0.329 0.000 1.105 190 L HN 0.350 nan 8.230 nan 0.000 0.477 191 P HA 0.066 nan 4.420 nan 0.000 0.267 191 P C -1.272 176.137 177.300 0.183 0.000 1.200 191 P CA 0.092 63.278 63.100 0.143 0.000 0.772 191 P CB 0.432 32.308 31.700 0.293 0.000 0.855 192 K N 1.394 121.823 120.400 0.049 0.000 2.323 192 K HA 0.575 4.895 4.320 -0.000 0.000 0.259 192 K C 0.228 176.691 176.600 -0.228 0.000 0.947 192 K CA -0.640 55.544 56.287 -0.171 0.000 0.819 192 K CB 1.732 33.856 32.500 -0.626 0.000 1.109 192 K HN 0.500 nan 8.250 nan 0.000 0.429 193 G N 1.406 109.888 108.800 -0.530 0.000 2.372 193 G HA2 0.428 4.388 3.960 -0.000 0.000 0.283 193 G HA3 0.428 4.388 3.960 -0.000 0.000 0.283 193 G C -0.766 173.957 174.900 -0.294 0.000 1.177 193 G CA -0.371 44.141 45.100 -0.981 0.000 0.842 193 G HN 0.343 nan 8.290 nan 0.000 0.503 194 V N 2.762 122.459 119.914 -0.362 0.000 2.448 194 V HA 0.344 4.464 4.120 -0.000 0.000 0.295 194 V C -0.195 175.518 176.094 -0.635 0.000 1.025 194 V CA -0.663 61.394 62.300 -0.404 0.000 0.859 194 V CB 1.795 33.383 31.823 -0.391 0.000 0.988 194 V HN 0.543 nan 8.190 nan 0.000 0.431 195 V N 5.822 125.416 119.914 -0.532 0.000 2.347 195 V HA 0.437 4.557 4.120 -0.000 0.000 0.280 195 V C -0.572 175.256 176.094 -0.444 0.000 1.021 195 V CA -0.789 61.224 62.300 -0.479 0.000 0.847 195 V CB 0.695 32.337 31.823 -0.302 0.000 0.990 195 V HN 0.712 nan 8.190 nan 0.000 0.444 196 Y N 2.287 122.521 120.300 -0.110 0.000 2.300 196 Y HA 0.565 5.115 4.550 -0.000 0.000 0.328 196 Y C 1.034 176.865 175.900 -0.115 0.000 1.270 196 Y CA -0.465 57.572 58.100 -0.105 0.000 1.352 196 Y CB 1.046 39.434 38.460 -0.119 0.000 1.286 196 Y HN 0.693 nan 8.280 nan 0.000 0.536 197 S N -0.617 115.128 115.700 0.076 0.000 2.607 197 S HA 0.340 4.810 4.470 -0.000 0.000 0.303 197 S C 0.438 175.020 174.600 -0.029 0.000 1.086 197 S CA -0.813 57.398 58.200 0.019 0.000 0.995 197 S CB 1.042 64.272 63.200 0.049 0.000 1.084 197 S HN 0.759 nan 8.310 nan 0.000 0.507 198 H N 1.183 120.225 119.070 -0.048 0.000 2.319 198 H HA -0.129 4.427 4.556 -0.000 0.000 0.297 198 H C 2.327 177.608 175.328 -0.078 0.000 1.097 198 H CA 2.319 58.306 56.048 -0.102 0.000 1.285 198 H CB -0.081 29.630 29.762 -0.086 0.000 1.368 198 H HN 0.712 nan 8.280 nan 0.000 0.495 199 R N 0.999 121.566 120.500 0.111 0.000 2.083 199 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 199 R C 2.493 178.866 176.300 0.122 0.000 1.137 199 R CA 1.523 57.679 56.100 0.094 0.000 0.951 199 R CB -0.265 30.087 30.300 0.087 0.000 0.851 199 R HN 0.252 nan 8.270 nan 0.000 0.434 200 A N 1.161 124.060 122.820 0.132 0.000 1.877 200 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 200 A C 2.252 179.922 177.584 0.143 0.000 1.186 200 A CA 1.370 53.542 52.037 0.225 0.000 0.620 200 A CB -0.494 18.642 19.000 0.227 0.000 0.822 200 A HN 0.384 nan 8.150 nan 0.000 0.443 201 L N -0.697 120.510 121.223 -0.025 0.000 2.240 201 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 201 L C 2.390 179.220 176.870 -0.068 0.000 1.106 201 L CA 0.465 55.214 54.840 -0.151 0.000 0.793 201 L CB -0.401 41.451 42.059 -0.346 0.000 0.927 201 L HN 0.233 nan 8.230 nan 0.000 0.446 202 V N 0.272 120.158 119.914 -0.045 0.000 2.323 202 V HA -0.245 3.875 4.120 -0.000 0.000 0.244 202 V C 2.402 178.599 176.094 0.171 0.000 1.041 202 V CA 1.425 63.765 62.300 0.067 0.000 1.025 202 V CB -0.223 31.586 31.823 -0.023 0.000 0.656 202 V HN 0.315 nan 8.190 nan 0.000 0.451 203 L N -0.527 120.791 121.223 0.157 0.000 2.046 203 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 203 L C 2.667 179.520 176.870 -0.029 0.000 1.077 203 L CA 1.926 56.894 54.840 0.212 0.000 0.747 203 L CB -0.879 41.440 42.059 0.433 0.000 0.896 203 L HN 0.468 nan 8.230 nan 0.000 0.432 204 H N -0.101 118.700 119.070 -0.447 0.000 2.353 204 H HA -0.142 4.414 4.556 -0.000 0.000 0.300 204 H C 2.286 177.331 175.328 -0.470 0.000 1.090 204 H CA 1.918 57.328 56.048 -1.063 0.000 1.327 204 H CB 0.266 29.414 29.762 -1.024 0.000 1.383 204 H HN 0.235 nan 8.280 nan 0.000 0.508 205 S N 0.523 116.221 115.700 -0.003 0.000 2.382 205 S HA -0.098 4.372 4.470 -0.000 0.000 0.228 205 S C 2.532 177.101 174.600 -0.052 0.000 1.027 205 S CA 1.103 59.346 58.200 0.071 0.000 0.991 205 S CB -0.147 63.229 63.200 0.294 0.000 0.823 205 S HN 0.307 nan 8.310 nan 0.000 0.469 206 L N 0.830 122.038 121.223 -0.025 0.000 2.023 206 L HA -0.022 4.318 4.340 -0.000 0.000 0.205 206 L C 2.771 179.600 176.870 -0.067 0.000 1.073 206 L CA 1.224 56.047 54.840 -0.029 0.000 0.745 206 L CB -0.613 41.474 42.059 0.048 0.000 0.900 206 L HN 0.307 nan 8.230 nan 0.000 0.435 207 A N -0.277 122.492 122.820 -0.085 0.000 1.969 207 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 207 A C 2.330 179.845 177.584 -0.115 0.000 1.169 207 A CA 1.455 53.472 52.037 -0.033 0.000 0.635 207 A CB -0.532 18.564 19.000 0.160 0.000 0.810 207 A HN 0.389 nan 8.150 nan 0.000 0.445 208 A N -1.054 121.602 122.820 -0.274 0.000 2.178 208 A HA 0.220 4.540 4.320 -0.000 0.000 0.211 208 A C 1.841 179.337 177.584 -0.146 0.000 1.157 208 A CA 1.184 53.073 52.037 -0.246 0.000 0.780 208 A CB -0.200 18.527 19.000 -0.455 0.000 0.828 208 A HN 0.339 nan 8.150 nan 0.000 0.476 209 S N -0.102 115.512 115.700 -0.144 0.000 2.557 209 S HA 0.331 4.801 4.470 -0.000 0.000 0.223 209 S C 0.486 175.006 174.600 -0.133 0.000 0.969 209 S CA -0.386 57.727 58.200 -0.145 0.000 0.927 209 S CB -0.289 62.816 63.200 -0.158 0.000 0.806 209 S HN 0.456 nan 8.310 nan 0.000 0.489 210 L N 0.473 121.630 121.223 -0.111 0.000 2.474 210 L HA 0.182 4.522 4.340 -0.000 0.000 0.259 210 L C 1.797 178.590 176.870 -0.128 0.000 1.232 210 L CA -0.409 54.366 54.840 -0.108 0.000 0.821 210 L CB 0.136 42.139 42.059 -0.093 0.000 1.108 210 L HN -0.053 nan 8.230 nan 0.000 0.495 211 V N -0.057 119.778 119.914 -0.132 0.000 2.324 211 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 211 V C 1.460 177.437 176.094 -0.196 0.000 1.060 211 V CA 1.937 64.154 62.300 -0.138 0.000 1.042 211 V CB -0.555 31.197 31.823 -0.119 0.000 0.650 211 V HN 0.796 nan 8.190 nan 0.000 0.450 212 D N -0.111 120.095 120.400 -0.323 0.000 2.363 212 D HA 0.086 4.726 4.640 -0.000 0.000 0.226 212 D C 1.159 177.275 176.300 -0.307 0.000 1.020 212 D CA 1.008 54.646 54.000 -0.604 0.000 0.892 212 D CB 0.225 40.289 40.800 -1.228 0.000 0.900 212 D HN 0.531 nan 8.370 nan 0.000 0.531 213 G N 0.435 109.148 108.800 -0.145 0.000 3.392 213 G HA2 0.096 4.056 3.960 -0.000 0.000 0.188 213 G HA3 0.096 4.056 3.960 -0.000 0.000 0.188 213 G C 1.195 176.098 174.900 0.005 0.000 1.485 213 G CA 0.430 45.510 45.100 -0.034 0.000 0.943 213 G HN 0.161 nan 8.290 nan 0.000 0.627 214 T N -1.729 112.815 114.554 -0.017 0.000 3.055 214 T HA 0.329 4.679 4.350 -0.000 0.000 0.265 214 T C 1.593 176.183 174.700 -0.185 0.000 1.111 214 T CA 1.368 63.444 62.100 -0.041 0.000 1.118 214 T CB -0.194 68.577 68.868 -0.162 0.000 0.909 214 T HN 1.941 nan 8.240 nan 0.000 0.501 215 A N 0.828 123.555 122.820 -0.156 0.000 2.687 215 A HA -0.109 4.211 4.320 -0.000 0.000 0.299 215 A C 0.337 177.794 177.584 -0.212 0.000 1.497 215 A CA 0.373 52.319 52.037 -0.152 0.000 0.751 215 A CB -2.613 16.331 19.000 -0.092 0.000 1.048 215 A HN 0.686 nan 8.150 nan 0.000 0.464 216 L N 0.279 121.334 121.223 -0.280 0.000 2.410 216 L HA 0.417 4.757 4.340 -0.000 0.000 0.273 216 L C 0.904 177.643 176.870 -0.219 0.000 1.152 216 L CA 0.663 55.316 54.840 -0.312 0.000 0.855 216 L CB 1.362 43.217 42.059 -0.340 0.000 1.129 216 L HN 0.644 nan 8.230 nan 0.000 0.463 217 S N 1.207 116.789 115.700 -0.197 0.000 2.632 217 S HA 0.164 4.634 4.470 -0.000 0.000 0.289 217 S C 0.702 175.182 174.600 -0.200 0.000 1.115 217 S CA -0.667 57.431 58.200 -0.170 0.000 0.889 217 S CB 1.831 64.959 63.200 -0.120 0.000 1.116 217 S HN 0.726 nan 8.310 nan 0.000 0.486 218 E N 2.028 122.084 120.200 -0.241 0.000 2.118 218 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 218 E C 1.524 178.016 176.600 -0.180 0.000 0.992 218 E CA 1.709 57.913 56.400 -0.326 0.000 0.804 218 E CB -0.161 29.302 29.700 -0.396 0.000 0.741 218 E HN 0.746 nan 8.360 nan 0.000 0.458 219 K N 0.345 120.678 120.400 -0.112 0.000 2.439 219 K HA -0.018 4.301 4.320 -0.000 0.000 0.197 219 K C 0.288 176.863 176.600 -0.041 0.000 1.041 219 K CA 0.325 56.577 56.287 -0.058 0.000 0.970 219 K CB 0.107 32.585 32.500 -0.037 0.000 0.773 219 K HN -0.110 nan 8.250 nan 0.000 0.479 220 D N 1.560 121.925 120.400 -0.057 0.000 2.362 220 D HA 0.085 4.725 4.640 -0.000 0.000 0.242 220 D C -0.675 175.631 176.300 0.008 0.000 1.132 220 D CA -0.058 53.930 54.000 -0.021 0.000 0.907 220 D CB 1.744 42.509 40.800 -0.059 0.000 1.195 220 D HN -0.138 nan 8.370 nan 0.000 0.429 221 V N 2.529 122.478 119.914 0.058 0.000 2.350 221 V HA 0.211 4.331 4.120 -0.000 0.000 0.285 221 V C 0.126 176.306 176.094 0.144 0.000 1.014 221 V CA -0.759 61.587 62.300 0.076 0.000 0.831 221 V CB 1.742 33.608 31.823 0.071 0.000 1.000 221 V HN 0.210 nan 8.190 nan 0.000 0.433 222 V N 6.525 126.524 119.914 0.142 0.000 2.398 222 V HA 0.488 4.608 4.120 -0.000 0.000 0.286 222 V C -0.240 175.960 176.094 0.177 0.000 1.026 222 V CA -0.494 61.949 62.300 0.239 0.000 0.868 222 V CB 1.794 33.736 31.823 0.198 0.000 0.982 222 V HN 0.716 nan 8.190 nan 0.000 0.443 223 L N 8.214 129.558 121.223 0.202 0.000 2.353 223 L HA 0.542 4.882 4.340 -0.000 0.000 0.270 223 L C -2.381 174.547 176.870 0.098 0.000 1.003 223 L CA -1.712 53.191 54.840 0.106 0.000 0.862 223 L CB 2.359 44.469 42.059 0.085 0.000 1.221 223 L HN 0.447 nan 8.230 nan 0.000 0.430 224 P HA 0.069 nan 4.420 nan 0.000 0.280 224 P C 0.506 177.728 177.300 -0.130 0.000 1.300 224 P CA -0.155 62.922 63.100 -0.039 0.000 0.785 224 P CB 1.759 33.400 31.700 -0.098 0.000 0.874 225 V N 4.181 124.018 119.914 -0.128 0.000 2.649 225 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 225 V C 1.581 177.439 176.094 -0.394 0.000 1.054 225 V CA 0.634 62.788 62.300 -0.243 0.000 1.073 225 V CB 0.102 31.746 31.823 -0.298 0.000 0.699 225 V HN 0.363 nan 8.190 nan 0.000 0.463 226 V N 3.389 122.994 119.914 -0.515 0.000 2.557 226 V HA 0.093 4.213 4.120 -0.000 0.000 0.301 226 V C -2.074 173.620 176.094 -0.667 0.000 1.026 226 V CA -1.320 60.519 62.300 -0.769 0.000 1.137 226 V CB 0.930 31.871 31.823 -1.469 0.000 0.917 226 V HN 0.265 nan 8.190 nan 0.000 0.484 227 P HA 0.163 nan 4.420 nan 0.000 0.268 227 P C 0.515 177.301 177.300 -0.857 0.000 1.205 227 P CA 0.087 62.581 63.100 -1.010 0.000 0.771 227 P CB 0.431 30.915 31.700 -2.028 0.000 0.858 228 M N 2.048 121.245 119.600 -0.672 0.000 2.700 228 M HA -0.032 4.447 4.480 -0.000 0.000 0.249 228 M C 0.451 176.642 176.300 -0.182 0.000 1.082 228 M CA 1.370 56.382 55.300 -0.480 0.000 1.077 228 M CB -0.613 31.473 32.600 -0.857 0.000 1.477 228 M HN 0.387 nan 8.290 nan 0.000 0.529 229 F N -3.651 116.222 119.950 -0.129 0.000 2.653 229 F HA 0.293 4.820 4.527 -0.000 0.000 0.304 229 F C 0.119 176.003 175.800 0.141 0.000 1.092 229 F CA -0.669 57.330 58.000 -0.001 0.000 1.279 229 F CB -0.828 38.139 39.000 -0.055 0.000 1.044 229 F HN -0.001 nan 8.300 nan 0.000 0.564 230 H N 1.704 120.673 119.070 -0.169 0.000 2.690 230 H HA 0.415 4.971 4.556 -0.000 0.000 0.280 230 H C 0.177 175.551 175.328 0.077 0.000 1.138 230 H CA -0.817 55.225 56.048 -0.010 0.000 1.241 230 H CB 1.049 30.714 29.762 -0.162 0.000 1.394 230 H HN 0.061 nan 8.280 nan 0.000 0.489 231 V N 2.110 122.201 119.914 0.295 0.000 5.578 231 V HA -0.383 3.737 4.120 -0.000 0.000 0.275 231 V C 0.213 176.346 176.094 0.064 0.000 0.642 231 V CA 1.280 63.699 62.300 0.198 0.000 0.613 231 V CB -2.538 29.432 31.823 0.245 0.000 0.301 231 V HN 1.166 nan 8.190 nan 0.000 0.782 232 N N -1.532 117.195 118.700 0.045 0.000 2.725 232 N HA -0.067 4.673 4.740 -0.000 0.000 0.251 232 N C 0.595 176.136 175.510 0.052 0.000 1.031 232 N CA 1.029 54.106 53.050 0.046 0.000 0.720 232 N CB -1.039 37.380 38.487 -0.112 0.000 0.930 232 N HN 2.453 nan 8.380 nan 0.000 0.543 233 A N -0.903 121.869 122.820 -0.081 0.000 2.687 233 A HA -0.205 4.115 4.320 -0.000 0.000 0.299 233 A C 0.802 178.357 177.584 -0.048 0.000 1.497 233 A CA 1.244 53.130 52.037 -0.252 0.000 0.751 233 A CB -1.964 16.856 19.000 -0.300 0.000 1.048 233 A HN 0.873 nan 8.150 nan 0.000 0.464 234 W N -3.624 117.681 121.300 0.009 0.000 5.271 234 W HA -0.265 4.395 4.660 -0.000 0.000 0.364 234 W C 1.274 177.818 176.519 0.041 0.000 1.342 234 W CA 0.162 57.524 57.345 0.029 0.000 0.899 234 W CB -2.413 27.102 29.460 0.092 0.000 2.450 234 W HN 1.682 nan 8.180 nan 0.000 1.508 235 C N -1.769 117.632 119.300 0.167 0.000 4.473 235 C HA -0.336 4.124 4.460 -0.000 0.000 0.272 235 C C 2.468 177.586 174.990 0.214 0.000 1.434 235 C CA 0.987 60.107 59.018 0.171 0.000 1.761 235 C CB -1.739 26.049 27.740 0.080 0.000 1.564 235 C HN 0.519 nan 8.230 nan 0.000 0.725 236 L N 0.198 121.524 121.223 0.171 0.000 2.046 236 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 236 L C -0.089 176.827 176.870 0.076 0.000 1.077 236 L CA 2.278 57.206 54.840 0.146 0.000 0.747 236 L CB -1.289 40.884 42.059 0.189 0.000 0.896 236 L HN 0.296 nan 8.230 nan 0.000 0.432 237 P HA -0.184 nan 4.420 nan 0.000 0.218 237 P C 1.145 178.491 177.300 0.076 0.000 1.148 237 P CA 1.489 64.535 63.100 -0.090 0.000 0.822 237 P CB -0.016 31.429 31.700 -0.425 0.000 0.784 238 Y N -0.546 119.883 120.300 0.214 0.000 2.184 238 Y HA -0.065 4.485 4.550 -0.000 0.000 0.290 238 Y C 2.615 178.670 175.900 0.258 0.000 1.129 238 Y CA 0.631 58.937 58.100 0.345 0.000 1.144 238 Y CB -0.767 37.866 38.460 0.288 0.000 0.995 238 Y HN -0.104 nan 8.280 nan 0.000 0.513 239 A N 0.144 123.121 122.820 0.263 0.000 1.930 239 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 239 A C 2.322 179.865 177.584 -0.069 0.000 1.175 239 A CA 1.471 53.521 52.037 0.022 0.000 0.627 239 A CB -1.033 17.979 19.000 0.020 0.000 0.815 239 A HN 0.411 nan 8.150 nan 0.000 0.443 240 A N -0.928 121.900 122.820 0.012 0.000 1.930 240 A HA -0.054 4.265 4.320 -0.000 0.000 0.217 240 A C 2.267 179.856 177.584 0.008 0.000 1.175 240 A CA 2.181 54.217 52.037 -0.003 0.000 0.627 240 A CB -1.091 17.948 19.000 0.065 0.000 0.815 240 A HN 0.412 nan 8.150 nan 0.000 0.443 241 T N 0.261 114.871 114.554 0.092 0.000 2.777 241 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 241 T C 1.862 176.408 174.700 -0.256 0.000 1.040 241 T CA 1.402 63.478 62.100 -0.039 0.000 1.141 241 T CB -0.408 68.628 68.868 0.280 0.000 0.868 241 T HN 0.459 nan 8.240 nan 0.000 0.444 242 L N 2.337 123.365 121.223 -0.325 0.000 2.079 242 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 242 L C 2.326 178.965 176.870 -0.384 0.000 1.081 242 L CA 1.677 56.140 54.840 -0.628 0.000 0.752 242 L CB -0.585 40.763 42.059 -1.185 0.000 0.896 242 L HN 0.255 nan 8.230 nan 0.000 0.433 243 V N -3.090 116.614 119.914 -0.350 0.000 3.354 243 V HA 0.477 4.597 4.120 -0.000 0.000 0.258 243 V C 1.608 177.311 176.094 -0.652 0.000 1.159 243 V CA 0.349 62.426 62.300 -0.371 0.000 1.125 243 V CB -0.807 30.837 31.823 -0.300 0.000 0.774 243 V HN 0.718 nan 8.190 nan 0.000 0.464 244 G N 0.251 108.698 108.800 -0.589 0.000 2.142 244 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.225 244 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.225 244 G C 0.259 174.964 174.900 -0.325 0.000 1.015 244 G CA 0.221 44.883 45.100 -0.731 0.000 0.716 244 G HN 1.552 nan 8.290 nan 0.000 0.508 245 A N -0.199 122.533 122.820 -0.147 0.000 2.386 245 A HA 0.631 4.951 4.320 -0.000 0.000 0.248 245 A C 0.818 178.457 177.584 0.091 0.000 1.082 245 A CA 0.536 52.544 52.037 -0.048 0.000 0.789 245 A CB 0.447 19.409 19.000 -0.064 0.000 1.025 245 A HN 0.754 nan 8.150 nan 0.000 0.490 246 K N 1.291 121.709 120.400 0.030 0.000 2.401 246 K HA 0.139 4.459 4.320 -0.000 0.000 0.278 246 K C -0.427 176.176 176.600 0.005 0.000 1.018 246 K CA 0.315 56.600 56.287 -0.004 0.000 0.981 246 K CB 0.226 32.720 32.500 -0.010 0.000 0.933 246 K HN 0.766 nan 8.250 nan 0.000 0.477 247 Q N 2.479 122.255 119.800 -0.041 0.000 2.316 247 Q HA 0.368 4.708 4.340 -0.000 0.000 0.264 247 Q C -1.291 174.697 176.000 -0.021 0.000 0.987 247 Q CA -1.036 54.761 55.803 -0.009 0.000 0.852 247 Q CB 2.503 31.237 28.738 -0.007 0.000 1.287 247 Q HN 0.330 nan 8.270 nan 0.000 0.448 248 V N 4.299 124.213 119.914 -0.001 0.000 2.378 248 V HA 0.390 4.510 4.120 -0.000 0.000 0.288 248 V C -0.566 175.511 176.094 -0.029 0.000 1.016 248 V CA -0.623 61.668 62.300 -0.016 0.000 0.840 248 V CB 1.198 33.008 31.823 -0.020 0.000 0.994 248 V HN 0.616 nan 8.190 nan 0.000 0.431 249 L N 7.714 128.924 121.223 -0.021 0.000 2.276 249 L HA 0.431 4.771 4.340 -0.000 0.000 0.286 249 L C -1.429 175.425 176.870 -0.026 0.000 1.024 249 L CA -1.471 53.349 54.840 -0.033 0.000 0.826 249 L CB 2.192 44.242 42.059 -0.014 0.000 1.211 249 L HN 0.401 nan 8.230 nan 0.000 0.422 250 P HA 0.003 nan 4.420 nan 0.000 0.229 250 P C 0.863 178.123 177.300 -0.066 0.000 1.160 250 P CA 0.899 63.941 63.100 -0.097 0.000 0.777 250 P CB 0.573 32.180 31.700 -0.155 0.000 0.814 251 G N 1.336 110.129 108.800 -0.011 0.000 2.645 251 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.239 251 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.239 251 G C -1.817 173.012 174.900 -0.118 0.000 1.331 251 G CA 0.172 45.290 45.100 0.030 0.000 0.890 251 G HN 0.075 nan 8.290 nan 0.000 0.572 252 P HA -0.001 nan 4.420 nan 0.000 0.223 252 P C 0.782 177.839 177.300 -0.406 0.000 1.151 252 P CA 0.791 63.435 63.100 -0.760 0.000 0.787 252 P CB 0.099 31.176 31.700 -1.037 0.000 0.788 253 R N 0.893 121.240 120.500 -0.255 0.000 2.309 253 R HA 0.261 4.601 4.340 -0.000 0.000 0.331 253 R C 0.760 176.948 176.300 -0.186 0.000 1.116 253 R CA -0.049 55.935 56.100 -0.194 0.000 0.970 253 R CB -0.143 30.065 30.300 -0.153 0.000 1.024 253 R HN 0.226 nan 8.270 nan 0.000 0.472 254 L N 2.629 123.742 121.223 -0.183 0.000 2.910 254 L HA 0.114 4.454 4.340 -0.000 0.000 0.252 254 L C 0.348 177.125 176.870 -0.155 0.000 1.195 254 L CA -0.338 54.394 54.840 -0.180 0.000 1.003 254 L CB -0.173 41.768 42.059 -0.198 0.000 1.328 254 L HN 0.617 nan 8.230 nan 0.000 0.540 255 D N 0.030 120.340 120.400 -0.149 0.000 2.399 255 D HA 0.047 4.687 4.640 -0.000 0.000 0.241 255 D C -1.996 174.192 176.300 -0.187 0.000 1.133 255 D CA -1.346 52.564 54.000 -0.151 0.000 0.890 255 D CB 1.656 42.368 40.800 -0.145 0.000 1.201 255 D HN -0.128 nan 8.370 nan 0.000 0.432 256 P HA -0.188 nan 4.420 nan 0.000 0.215 256 P C 1.375 178.394 177.300 -0.468 0.000 1.157 256 P CA 2.295 65.221 63.100 -0.291 0.000 0.874 256 P CB -0.014 31.447 31.700 -0.400 0.000 0.790 257 A N -0.875 121.554 122.820 -0.653 0.000 1.933 257 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 257 A C 2.370 179.818 177.584 -0.226 0.000 1.175 257 A CA 2.122 53.870 52.037 -0.481 0.000 0.628 257 A CB -1.505 17.284 19.000 -0.352 0.000 0.814 257 A HN 0.130 nan 8.150 nan 0.000 0.444 258 S N -0.159 115.419 115.700 -0.203 0.000 2.368 258 S HA -0.074 4.396 4.470 -0.000 0.000 0.225 258 S C 1.825 176.315 174.600 -0.182 0.000 1.030 258 S CA 1.410 59.513 58.200 -0.162 0.000 0.999 258 S CB -0.410 62.696 63.200 -0.156 0.000 0.844 258 S HN 0.517 nan 8.310 nan 0.000 0.459 259 L N 0.847 121.949 121.223 -0.202 0.000 2.027 259 L HA -0.055 4.285 4.340 -0.000 0.000 0.206 259 L C 2.357 179.059 176.870 -0.280 0.000 1.074 259 L CA 0.804 55.447 54.840 -0.329 0.000 0.745 259 L CB -0.711 41.226 42.059 -0.204 0.000 0.898 259 L HN 0.184 nan 8.230 nan 0.000 0.433 260 V N 0.052 119.992 119.914 0.044 0.000 2.332 260 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 260 V C 2.510 178.660 176.094 0.093 0.000 1.055 260 V CA 2.023 64.452 62.300 0.216 0.000 1.038 260 V CB -0.481 31.411 31.823 0.115 0.000 0.651 260 V HN 0.505 nan 8.190 nan 0.000 0.450 261 E N -0.152 120.039 120.200 -0.015 0.000 2.085 261 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 261 E C 2.193 178.781 176.600 -0.019 0.000 0.994 261 E CA 1.580 57.970 56.400 -0.017 0.000 0.801 261 E CB -0.109 29.562 29.700 -0.049 0.000 0.743 261 E HN 0.577 nan 8.360 nan 0.000 0.453 262 L N -0.268 120.896 121.223 -0.098 0.000 2.109 262 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 262 L C 2.336 179.180 176.870 -0.043 0.000 1.086 262 L CA 0.448 55.216 54.840 -0.121 0.000 0.760 262 L CB -0.361 41.558 42.059 -0.233 0.000 0.910 262 L HN 0.135 nan 8.230 nan 0.000 0.437 263 F N 0.847 120.816 119.950 0.032 0.000 2.069 263 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 263 F C 2.371 178.201 175.800 0.051 0.000 1.113 263 F CA 1.447 59.474 58.000 0.045 0.000 1.214 263 F CB -0.609 38.430 39.000 0.064 0.000 0.978 263 F HN 0.143 nan 8.300 nan 0.000 0.474 264 D N -0.876 119.680 120.400 0.261 0.000 2.162 264 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 264 D C 2.541 178.908 176.300 0.112 0.000 0.964 264 D CA 1.348 55.457 54.000 0.180 0.000 0.847 264 D CB -1.021 39.897 40.800 0.196 0.000 0.988 264 D HN 0.295 nan 8.370 nan 0.000 0.480 265 G N 0.621 109.470 108.800 0.082 0.000 2.432 265 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 265 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 265 G C 1.396 176.317 174.900 0.034 0.000 1.135 265 G CA 0.565 45.691 45.100 0.044 0.000 0.767 265 G HN 0.123 nan 8.290 nan 0.000 0.550 266 E N -0.323 119.903 120.200 0.043 0.000 2.498 266 E HA 0.190 4.540 4.350 -0.000 0.000 0.203 266 E C 1.471 178.103 176.600 0.052 0.000 1.013 266 E CA 0.418 56.837 56.400 0.032 0.000 0.927 266 E CB 0.370 30.078 29.700 0.014 0.000 1.012 266 E HN 0.353 nan 8.360 nan 0.000 0.482 267 G N 1.904 110.751 108.800 0.078 0.000 2.272 267 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.280 267 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.280 267 G C 0.375 175.335 174.900 0.099 0.000 1.067 267 G CA 0.340 45.488 45.100 0.080 0.000 0.902 267 G HN 0.131 nan 8.290 nan 0.000 0.500 268 V N 0.642 120.651 119.914 0.158 0.000 2.599 268 V HA 0.326 4.446 4.120 -0.000 0.000 0.300 268 V C 1.818 177.997 176.094 0.141 0.000 1.034 268 V CA 1.337 63.755 62.300 0.197 0.000 1.115 268 V CB 0.982 33.035 31.823 0.384 0.000 0.934 268 V HN 0.867 nan 8.190 nan 0.000 0.485 269 T N 1.357 115.987 114.554 0.128 0.000 3.000 269 T HA 0.238 4.588 4.350 -0.000 0.000 0.248 269 T C -0.017 174.763 174.700 0.133 0.000 1.034 269 T CA 0.086 62.242 62.100 0.094 0.000 1.060 269 T CB 0.170 69.088 68.868 0.084 0.000 0.983 269 T HN 0.360 nan 8.240 nan 0.000 0.482 270 F N 1.396 121.355 119.950 0.015 0.000 2.556 270 F HA 0.685 5.212 4.527 -0.000 0.000 0.314 270 F C -0.840 174.999 175.800 0.065 0.000 1.106 270 F CA -0.457 57.547 58.000 0.006 0.000 0.911 270 F CB 2.390 41.395 39.000 0.009 0.000 1.190 270 F HN 0.036 nan 8.300 nan 0.000 0.448 271 T N 3.744 117.844 114.554 -0.757 0.000 2.843 271 T HA 0.873 5.223 4.350 -0.000 0.000 0.302 271 T C -1.917 172.459 174.700 -0.539 0.000 1.232 271 T CA -0.327 61.532 62.100 -0.401 0.000 1.009 271 T CB 1.482 70.395 68.868 0.075 0.000 1.254 271 T HN 1.170 nan 8.240 nan 0.000 0.504 272 A N 1.032 123.874 122.820 0.036 0.000 2.488 272 A HA 0.912 5.232 4.320 -0.000 0.000 0.295 272 A C -0.179 177.638 177.584 0.388 0.000 1.045 272 A CA -0.011 52.198 52.037 0.286 0.000 0.703 272 A CB 1.395 20.577 19.000 0.305 0.000 1.271 272 A HN 1.455 nan 8.150 nan 0.000 0.400 273 G N -0.395 108.740 108.800 0.559 0.000 2.495 273 G HA2 0.711 4.671 3.960 -0.000 0.000 0.294 273 G HA3 0.711 4.671 3.960 -0.000 0.000 0.294 273 G C -0.498 174.440 174.900 0.062 0.000 1.397 273 G CA 0.206 45.240 45.100 -0.109 0.000 0.790 273 G HN 2.023 nan 8.290 nan 0.000 0.486 274 V N -1.358 118.444 119.914 -0.185 0.000 3.003 274 V HA 0.512 4.632 4.120 -0.000 0.000 0.305 274 V C -1.328 174.692 176.094 -0.123 0.000 1.078 274 V CA -1.157 61.154 62.300 0.018 0.000 1.083 274 V CB 1.395 33.234 31.823 0.027 0.000 1.039 274 V HN 0.474 nan 8.190 nan 0.000 0.481 275 P HA -0.097 nan 4.420 nan 0.000 0.216 275 P C 1.755 179.090 177.300 0.058 0.000 1.150 275 P CA 1.976 65.166 63.100 0.150 0.000 0.843 275 P CB -0.113 31.682 31.700 0.159 0.000 0.787 276 T N -0.694 113.848 114.554 -0.020 0.000 2.720 276 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 276 T C 1.796 176.424 174.700 -0.120 0.000 1.037 276 T CA 1.427 63.480 62.100 -0.078 0.000 1.144 276 T CB -1.004 67.828 68.868 -0.060 0.000 0.864 276 T HN -0.084 nan 8.240 nan 0.000 0.444 277 V N -0.303 119.466 119.914 -0.242 0.000 2.427 277 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 277 V C 2.038 178.079 176.094 -0.089 0.000 1.051 277 V CA 1.296 63.404 62.300 -0.320 0.000 1.048 277 V CB -0.773 30.655 31.823 -0.659 0.000 0.666 277 V HN 0.653 nan 8.190 nan 0.000 0.456 278 W N -0.500 120.861 121.300 0.102 0.000 2.436 278 W HA 0.048 4.708 4.660 -0.000 0.000 0.284 278 W C 2.222 178.912 176.519 0.284 0.000 1.225 278 W CA -0.138 57.331 57.345 0.208 0.000 1.271 278 W CB -0.238 29.301 29.460 0.133 0.000 1.114 278 W HN 0.184 nan 8.180 nan 0.000 0.559 279 L N 0.234 121.665 121.223 0.345 0.000 2.056 279 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 279 L C 2.729 179.673 176.870 0.124 0.000 1.078 279 L CA 1.299 56.254 54.840 0.192 0.000 0.749 279 L CB -1.113 40.996 42.059 0.082 0.000 0.901 279 L HN -0.030 nan 8.230 nan 0.000 0.433 280 A N -0.102 122.770 122.820 0.085 0.000 1.933 280 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 280 A C 2.203 179.876 177.584 0.149 0.000 1.175 280 A CA 1.589 53.661 52.037 0.059 0.000 0.628 280 A CB -0.617 18.375 19.000 -0.013 0.000 0.814 280 A HN 0.326 nan 8.150 nan 0.000 0.444 281 L N -0.282 121.099 121.223 0.264 0.000 2.027 281 L HA -0.008 4.332 4.340 -0.000 0.000 0.206 281 L C 2.633 179.675 176.870 0.287 0.000 1.074 281 L CA 2.208 57.267 54.840 0.366 0.000 0.745 281 L CB -0.786 41.645 42.059 0.621 0.000 0.898 281 L HN 0.313 nan 8.230 nan 0.000 0.433 282 A N -0.913 122.010 122.820 0.173 0.000 1.902 282 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 282 A C 2.051 179.594 177.584 -0.068 0.000 1.181 282 A CA 1.769 53.697 52.037 -0.182 0.000 0.623 282 A CB -0.860 17.890 19.000 -0.417 0.000 0.818 282 A HN 0.542 nan 8.150 nan 0.000 0.443 283 D N -1.535 118.877 120.400 0.021 0.000 2.116 283 D HA -0.197 4.443 4.640 -0.000 0.000 0.193 283 D C 1.692 178.030 176.300 0.064 0.000 0.998 283 D CA 1.792 55.809 54.000 0.028 0.000 0.836 283 D CB -0.367 40.460 40.800 0.046 0.000 0.951 283 D HN 0.605 nan 8.370 nan 0.000 0.449 284 Y N 1.264 121.563 120.300 -0.002 0.000 2.200 284 Y HA -0.116 4.434 4.550 -0.000 0.000 0.290 284 Y C 2.321 178.226 175.900 0.009 0.000 1.137 284 Y CA 1.194 59.299 58.100 0.008 0.000 1.163 284 Y CB -0.358 38.119 38.460 0.028 0.000 0.988 284 Y HN -0.086 nan 8.280 nan 0.000 0.518 285 L N -0.257 120.995 121.223 0.047 0.000 2.093 285 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 285 L C 2.208 179.022 176.870 -0.093 0.000 1.085 285 L CA 1.662 56.489 54.840 -0.022 0.000 0.755 285 L CB -0.463 41.618 42.059 0.037 0.000 0.904 285 L HN 0.235 nan 8.230 nan 0.000 0.435 286 E N -0.521 119.619 120.200 -0.100 0.000 2.107 286 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 286 E C 2.292 178.833 176.600 -0.098 0.000 0.982 286 E CA 1.157 57.497 56.400 -0.099 0.000 0.809 286 E CB 0.090 29.731 29.700 -0.098 0.000 0.756 286 E HN 0.289 nan 8.360 nan 0.000 0.459 287 S N -0.039 115.592 115.700 -0.115 0.000 2.406 287 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 287 S C 2.071 176.581 174.600 -0.151 0.000 1.020 287 S CA 1.480 59.611 58.200 -0.115 0.000 0.965 287 S CB -0.067 63.076 63.200 -0.094 0.000 0.798 287 S HN 0.456 nan 8.310 nan 0.000 0.488 288 T N -1.865 112.548 114.554 -0.235 0.000 3.060 288 T HA 0.391 4.741 4.350 -0.000 0.000 0.249 288 T C 1.504 176.142 174.700 -0.104 0.000 1.079 288 T CA 0.686 62.656 62.100 -0.215 0.000 1.013 288 T CB 0.110 68.737 68.868 -0.402 0.000 0.975 288 T HN 0.463 nan 8.240 nan 0.000 0.518 289 G N 1.576 110.324 108.800 -0.088 0.000 2.168 289 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 289 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 289 G C -0.056 174.824 174.900 -0.033 0.000 0.997 289 G CA 0.316 45.381 45.100 -0.057 0.000 0.708 289 G HN 0.846 nan 8.290 nan 0.000 0.520 290 H N 0.362 119.370 119.070 -0.104 0.000 2.690 290 H HA 0.594 5.150 4.556 -0.000 0.000 0.314 290 H C 0.241 175.549 175.328 -0.033 0.000 1.069 290 H CA -0.097 55.917 56.048 -0.057 0.000 1.436 290 H CB 0.667 30.401 29.762 -0.047 0.000 1.462 290 H HN 0.162 nan 8.280 nan 0.000 0.511 291 R N 4.213 124.570 120.500 -0.239 0.000 2.445 291 R HA 0.309 4.649 4.340 -0.000 0.000 0.308 291 R C -0.397 175.856 176.300 -0.078 0.000 0.961 291 R CA -0.733 55.313 56.100 -0.090 0.000 0.862 291 R CB 1.179 31.419 30.300 -0.101 0.000 1.144 291 R HN 0.536 nan 8.270 nan 0.000 0.447 292 L N 4.326 125.589 121.223 0.067 0.000 2.455 292 L HA 0.082 4.422 4.340 -0.000 0.000 0.272 292 L C 1.584 178.466 176.870 0.019 0.000 1.174 292 L CA 0.226 55.122 54.840 0.092 0.000 0.869 292 L CB 0.573 42.629 42.059 -0.006 0.000 1.130 292 L HN 0.713 nan 8.230 nan 0.000 0.474 293 K N 0.210 120.639 120.400 0.049 0.000 2.365 293 K HA -0.028 4.292 4.320 -0.000 0.000 0.197 293 K C 1.041 177.651 176.600 0.016 0.000 1.042 293 K CA 1.255 57.552 56.287 0.017 0.000 0.987 293 K CB 0.092 32.608 32.500 0.026 0.000 0.779 293 K HN 0.773 nan 8.250 nan 0.000 0.484 294 T N -2.024 112.544 114.554 0.024 0.000 2.966 294 T HA 0.171 4.521 4.350 -0.000 0.000 0.254 294 T C 0.292 174.986 174.700 -0.009 0.000 0.961 294 T CA -0.586 61.525 62.100 0.018 0.000 0.915 294 T CB -0.053 68.842 68.868 0.046 0.000 1.186 294 T HN 0.059 nan 8.240 nan 0.000 0.505 295 L N 2.998 124.186 121.223 -0.058 0.000 2.534 295 L HA 0.385 4.725 4.340 -0.000 0.000 0.271 295 L C 1.148 177.947 176.870 -0.118 0.000 1.178 295 L CA 0.219 54.973 54.840 -0.143 0.000 0.907 295 L CB 0.369 42.207 42.059 -0.367 0.000 1.164 295 L HN 0.125 nan 8.230 nan 0.000 0.482 296 R N 3.710 124.158 120.500 -0.088 0.000 2.225 296 R HA 0.304 4.644 4.340 -0.000 0.000 0.194 296 R C -0.124 176.126 176.300 -0.085 0.000 0.949 296 R CA -0.102 55.961 56.100 -0.060 0.000 1.088 296 R CB 0.418 30.711 30.300 -0.013 0.000 1.106 296 R HN 0.513 nan 8.270 nan 0.000 0.566 297 R N 1.023 121.468 120.500 -0.093 0.000 2.670 297 R HA 0.510 4.849 4.340 -0.000 0.000 0.289 297 R C -1.353 174.743 176.300 -0.340 0.000 0.965 297 R CA -0.671 55.368 56.100 -0.103 0.000 0.899 297 R CB 2.490 32.867 30.300 0.129 0.000 1.173 297 R HN -0.048 nan 8.270 nan 0.000 0.456 298 L N 2.595 123.571 121.223 -0.412 0.000 2.470 298 L HA 0.509 4.849 4.340 -0.000 0.000 0.268 298 L C -1.068 175.556 176.870 -0.410 0.000 0.964 298 L CA -0.943 53.512 54.840 -0.643 0.000 0.839 298 L CB 2.178 43.650 42.059 -0.979 0.000 1.276 298 L HN 0.551 nan 8.230 nan 0.000 0.403 299 V N 4.247 123.975 119.914 -0.309 0.000 2.547 299 V HA 0.778 4.898 4.120 -0.000 0.000 0.299 299 V C -1.409 174.809 176.094 0.205 0.000 1.040 299 V CA -0.395 61.902 62.300 -0.005 0.000 0.913 299 V CB 1.938 33.849 31.823 0.146 0.000 0.992 299 V HN 0.610 nan 8.190 nan 0.000 0.449 300 V N 5.665 125.715 119.914 0.227 0.000 2.540 300 V HA 1.026 5.146 4.120 -0.000 0.000 0.302 300 V C 0.250 176.485 176.094 0.235 0.000 1.035 300 V CA 0.762 63.293 62.300 0.384 0.000 0.873 300 V CB 1.160 33.191 31.823 0.347 0.000 0.992 300 V HN 1.562 nan 8.190 nan 0.000 0.428 301 G N 3.018 111.984 108.800 0.276 0.000 2.721 301 G HA2 0.658 4.618 3.960 -0.000 0.000 0.296 301 G HA3 0.658 4.618 3.960 -0.000 0.000 0.296 301 G C 0.529 175.542 174.900 0.187 0.000 1.383 301 G CA -0.139 44.920 45.100 -0.069 0.000 0.788 301 G HN 1.848 nan 8.290 nan 0.000 0.500 302 G N -1.176 107.665 108.800 0.069 0.000 2.454 302 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.225 302 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.225 302 G C 0.547 175.515 174.900 0.114 0.000 1.138 302 G CA 1.210 46.423 45.100 0.188 0.000 0.667 302 G HN 1.789 nan 8.290 nan 0.000 0.512 303 S N -0.419 115.358 115.700 0.128 0.000 2.651 303 S HA 0.780 5.250 4.470 -0.000 0.000 0.279 303 S C 0.070 174.751 174.600 0.136 0.000 1.148 303 S CA 0.091 58.358 58.200 0.112 0.000 0.837 303 S CB 1.805 65.051 63.200 0.075 0.000 1.138 303 S HN 1.755 nan 8.310 nan 0.000 0.478 304 A N 1.124 124.019 122.820 0.126 0.000 2.492 304 A HA 0.580 4.900 4.320 -0.000 0.000 0.254 304 A C 0.447 178.105 177.584 0.123 0.000 1.091 304 A CA -0.074 52.034 52.037 0.118 0.000 0.768 304 A CB -0.478 18.582 19.000 0.099 0.000 1.028 304 A HN 1.075 nan 8.150 nan 0.000 0.498 305 A N 5.320 128.218 122.820 0.129 0.000 2.404 305 A HA 0.565 4.885 4.320 -0.000 0.000 0.273 305 A C -2.168 175.484 177.584 0.113 0.000 1.144 305 A CA -1.260 50.861 52.037 0.139 0.000 0.806 305 A CB -0.507 18.581 19.000 0.148 0.000 1.080 305 A HN 0.664 nan 8.150 nan 0.000 0.509 306 P HA 0.057 nan 4.420 nan 0.000 0.267 306 P C 1.019 178.369 177.300 0.083 0.000 1.200 306 P CA -0.276 62.879 63.100 0.092 0.000 0.772 306 P CB 0.483 32.238 31.700 0.092 0.000 0.855 307 R N 2.095 122.632 120.500 0.062 0.000 2.117 307 R HA -0.183 4.157 4.340 -0.000 0.000 0.243 307 R C 1.984 178.314 176.300 0.051 0.000 1.143 307 R CA 2.425 58.554 56.100 0.048 0.000 0.968 307 R CB -0.560 29.759 30.300 0.032 0.000 0.863 307 R HN 0.665 nan 8.270 nan 0.000 0.444 308 S N 0.624 116.354 115.700 0.050 0.000 2.368 308 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 308 S C 1.991 176.629 174.600 0.063 0.000 1.030 308 S CA 1.140 59.365 58.200 0.042 0.000 0.999 308 S CB -0.519 62.701 63.200 0.033 0.000 0.844 308 S HN 0.351 nan 8.310 nan 0.000 0.459 309 L N 1.672 122.957 121.223 0.103 0.000 2.042 309 L HA 0.092 4.432 4.340 -0.000 0.000 0.210 309 L C 2.205 179.203 176.870 0.214 0.000 1.076 309 L CA 1.509 56.454 54.840 0.175 0.000 0.749 309 L CB -0.638 41.550 42.059 0.216 0.000 0.893 309 L HN 0.397 nan 8.230 nan 0.000 0.432 310 I N -0.662 119.995 120.570 0.144 0.000 2.252 310 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 310 I C 2.558 178.735 176.117 0.101 0.000 1.102 310 I CA 1.056 62.428 61.300 0.121 0.000 1.385 310 I CB -0.676 37.370 38.000 0.076 0.000 1.064 310 I HN 0.332 nan 8.210 nan 0.000 0.414 311 A N 1.017 123.875 122.820 0.064 0.000 1.933 311 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 311 A C 2.378 179.969 177.584 0.013 0.000 1.175 311 A CA 1.358 53.414 52.037 0.032 0.000 0.628 311 A CB -0.532 18.477 19.000 0.015 0.000 0.814 311 A HN 0.315 nan 8.150 nan 0.000 0.444 312 R N -1.718 118.781 120.500 -0.002 0.000 2.080 312 R HA -0.131 4.209 4.340 -0.000 0.000 0.236 312 R C 1.826 178.032 176.300 -0.156 0.000 1.137 312 R CA 1.855 57.887 56.100 -0.114 0.000 0.943 312 R CB -0.496 29.676 30.300 -0.214 0.000 0.846 312 R HN 0.539 nan 8.270 nan 0.000 0.431 313 F N 1.090 121.015 119.950 -0.042 0.000 2.234 313 F HA -0.038 4.489 4.527 -0.000 0.000 0.296 313 F C 2.454 178.210 175.800 -0.072 0.000 1.089 313 F CA 0.941 58.895 58.000 -0.076 0.000 1.343 313 F CB -0.039 38.886 39.000 -0.125 0.000 1.040 313 F HN -0.057 nan 8.300 nan 0.000 0.498 314 E N 0.035 120.307 120.200 0.120 0.000 2.153 314 E HA -0.206 4.143 4.350 -0.000 0.000 0.194 314 E C 2.284 178.897 176.600 0.020 0.000 0.988 314 E CA 0.619 57.051 56.400 0.053 0.000 0.811 314 E CB -0.357 29.366 29.700 0.038 0.000 0.746 314 E HN 0.381 nan 8.360 nan 0.000 0.466 315 R N 0.251 120.752 120.500 0.002 0.000 2.115 315 R HA 0.019 4.359 4.340 -0.000 0.000 0.230 315 R C 1.938 178.220 176.300 -0.030 0.000 1.111 315 R CA 0.801 56.888 56.100 -0.022 0.000 0.976 315 R CB 0.052 30.328 30.300 -0.041 0.000 0.870 315 R HN 0.128 nan 8.270 nan 0.000 0.445 316 M N -0.886 118.695 119.600 -0.031 0.000 2.494 316 M HA 0.159 4.639 4.480 -0.000 0.000 0.232 316 M C 0.668 176.965 176.300 -0.005 0.000 1.137 316 M CA 0.668 55.949 55.300 -0.033 0.000 1.012 316 M CB 1.201 33.762 32.600 -0.066 0.000 1.567 316 M HN 0.408 nan 8.290 nan 0.000 0.486 317 G N 1.130 109.933 108.800 0.005 0.000 2.132 317 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.228 317 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.228 317 G C -0.212 174.688 174.900 -0.000 0.000 1.000 317 G CA -0.361 44.738 45.100 -0.001 0.000 0.693 317 G HN 0.324 nan 8.290 nan 0.000 0.515 318 V N 0.853 120.782 119.914 0.025 0.000 2.384 318 V HA 0.465 4.585 4.120 -0.000 0.000 0.287 318 V C 0.578 176.652 176.094 -0.033 0.000 1.020 318 V CA -0.784 61.504 62.300 -0.020 0.000 0.850 318 V CB 1.806 33.623 31.823 -0.010 0.000 0.987 318 V HN 0.436 nan 8.190 nan 0.000 0.436 319 E N 4.164 124.328 120.200 -0.059 0.000 2.299 319 E HA 0.318 4.668 4.350 -0.000 0.000 0.272 319 E C -1.194 175.352 176.600 -0.090 0.000 1.043 319 E CA -0.275 56.101 56.400 -0.040 0.000 0.895 319 E CB 1.219 30.913 29.700 -0.010 0.000 1.011 319 E HN 0.496 nan 8.360 nan 0.000 0.432 320 V N 6.463 126.341 119.914 -0.059 0.000 2.384 320 V HA 0.386 4.506 4.120 -0.000 0.000 0.287 320 V C -0.026 176.065 176.094 -0.004 0.000 1.020 320 V CA -0.576 61.672 62.300 -0.087 0.000 0.850 320 V CB 1.340 33.121 31.823 -0.070 0.000 0.987 320 V HN 0.663 nan 8.190 nan 0.000 0.436 321 R N 3.511 124.017 120.500 0.009 0.000 2.409 321 R HA 0.423 4.763 4.340 -0.000 0.000 0.313 321 R C -0.535 175.820 176.300 0.092 0.000 0.953 321 R CA -0.614 55.534 56.100 0.081 0.000 0.849 321 R CB 2.246 32.618 30.300 0.120 0.000 1.171 321 R HN 0.714 nan 8.270 nan 0.000 0.458 322 Q N 1.036 120.900 119.800 0.107 0.000 2.352 322 Q HA 0.348 4.688 4.340 -0.000 0.000 0.260 322 Q C -0.322 175.746 176.000 0.113 0.000 0.976 322 Q CA -0.058 55.812 55.803 0.110 0.000 0.881 322 Q CB 1.281 30.087 28.738 0.113 0.000 1.235 322 Q HN 0.792 nan 8.270 nan 0.000 0.419 323 G N 2.078 110.920 108.800 0.070 0.000 2.524 323 G HA2 0.474 4.434 3.960 -0.000 0.000 0.310 323 G HA3 0.474 4.434 3.960 -0.000 0.000 0.310 323 G C -2.226 172.688 174.900 0.023 0.000 1.279 323 G CA -0.378 44.738 45.100 0.026 0.000 0.974 323 G HN 0.594 nan 8.290 nan 0.000 0.484 324 Y N 0.665 120.922 120.300 -0.071 0.000 2.457 324 Y HA 0.721 5.271 4.550 -0.000 0.000 0.343 324 Y C 0.043 175.935 175.900 -0.013 0.000 0.994 324 Y CA -0.151 57.924 58.100 -0.043 0.000 1.031 324 Y CB 2.087 40.569 38.460 0.036 0.000 1.246 324 Y HN 1.079 nan 8.280 nan 0.000 0.449 325 G N 3.766 112.099 108.800 -0.778 0.000 2.430 325 G HA2 0.530 4.490 3.960 -0.000 0.000 0.300 325 G HA3 0.530 4.490 3.960 -0.000 0.000 0.300 325 G C -2.667 172.004 174.900 -0.383 0.000 1.330 325 G CA -0.985 43.741 45.100 -0.623 0.000 0.813 325 G HN 0.681 nan 8.290 nan 0.000 0.487 326 L N -0.996 120.149 121.223 -0.130 0.000 2.359 326 L HA 0.574 4.914 4.340 -0.000 0.000 0.256 326 L C 1.697 178.638 176.870 0.118 0.000 1.026 326 L CA -0.568 54.301 54.840 0.049 0.000 0.828 326 L CB 1.635 43.773 42.059 0.132 0.000 1.406 326 L HN 0.615 nan 8.230 nan 0.000 0.413 327 T N -1.192 113.476 114.554 0.188 0.000 2.737 327 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 327 T C 1.250 176.068 174.700 0.198 0.000 1.040 327 T CA 1.975 64.218 62.100 0.240 0.000 1.142 327 T CB -0.112 68.904 68.868 0.247 0.000 0.861 327 T HN 0.567 nan 8.240 nan 0.000 0.456 328 E N 0.676 120.917 120.200 0.070 0.000 2.409 328 E HA -0.035 4.315 4.350 -0.000 0.000 0.198 328 E C 1.996 178.497 176.600 -0.165 0.000 1.024 328 E CA 1.151 57.448 56.400 -0.173 0.000 0.861 328 E CB -0.041 29.391 29.700 -0.446 0.000 0.788 328 E HN 0.675 nan 8.360 nan 0.000 0.521 329 T N -4.593 109.979 114.554 0.030 0.000 3.145 329 T HA 0.313 4.663 4.350 -0.000 0.000 0.281 329 T C 0.665 175.531 174.700 0.277 0.000 1.003 329 T CA 0.095 62.281 62.100 0.143 0.000 0.901 329 T CB 0.396 69.345 68.868 0.136 0.000 1.112 329 T HN -0.040 nan 8.240 nan 0.000 0.535 330 S N 1.025 116.818 115.700 0.156 0.000 2.659 330 S HA -0.075 4.395 4.470 -0.000 0.000 0.264 330 S C -1.563 172.716 174.600 -0.535 0.000 1.310 330 S CA 0.937 59.036 58.200 -0.167 0.000 1.262 330 S CB -1.850 61.257 63.200 -0.155 0.000 1.548 330 S HN 0.604 nan 8.310 nan 0.000 0.657 331 P HA 0.358 nan 4.420 nan 0.000 0.269 331 P C 0.117 177.496 177.300 0.131 0.000 1.231 331 P CA 0.158 63.269 63.100 0.017 0.000 0.865 331 P CB 0.118 31.801 31.700 -0.029 0.000 1.243 332 V N 2.749 122.872 119.914 0.349 0.000 2.485 332 V HA 0.034 4.154 4.120 -0.000 0.000 0.287 332 V C 1.883 178.173 176.094 0.326 0.000 1.022 332 V CA 0.566 62.991 62.300 0.208 0.000 1.067 332 V CB 0.931 32.797 31.823 0.071 0.000 0.967 332 V HN 0.022 nan 8.190 nan 0.000 0.479 333 V N 2.841 122.912 119.914 0.261 0.000 3.480 333 V HA 0.423 4.543 4.120 -0.000 0.000 0.263 333 V C 0.223 176.496 176.094 0.299 0.000 1.442 333 V CA 0.050 62.552 62.300 0.337 0.000 1.053 333 V CB 0.831 32.837 31.823 0.304 0.000 0.846 333 V HN 0.442 nan 8.190 nan 0.000 0.440 334 V N 1.569 121.664 119.914 0.302 0.000 2.638 334 V HA 0.601 4.721 4.120 -0.000 0.000 0.306 334 V C -1.069 175.154 176.094 0.215 0.000 1.052 334 V CA -0.264 62.203 62.300 0.279 0.000 0.885 334 V CB 1.808 33.839 31.823 0.346 0.000 0.999 334 V HN 0.573 nan 8.190 nan 0.000 0.424 335 Q N 2.730 122.645 119.800 0.191 0.000 2.347 335 Q HA 0.444 4.784 4.340 -0.000 0.000 0.271 335 Q C -0.883 175.253 176.000 0.226 0.000 1.064 335 Q CA -0.636 55.282 55.803 0.192 0.000 0.800 335 Q CB 2.867 31.714 28.738 0.181 0.000 1.304 335 Q HN 0.757 nan 8.270 nan 0.000 0.438 336 N N 1.885 120.715 118.700 0.216 0.000 2.434 336 N HA 0.537 5.277 4.740 -0.000 0.000 0.272 336 N C -1.538 174.161 175.510 0.315 0.000 1.040 336 N CA -0.279 52.904 53.050 0.221 0.000 0.956 336 N CB 0.553 39.149 38.487 0.181 0.000 1.108 336 N HN 0.401 nan 8.380 nan 0.000 0.481 337 F N 1.048 121.087 119.950 0.148 0.000 2.645 337 F HA 0.577 5.104 4.527 -0.000 0.000 0.310 337 F C -1.427 174.484 175.800 0.184 0.000 1.102 337 F CA -1.253 56.822 58.000 0.124 0.000 0.952 337 F CB 0.523 39.571 39.000 0.079 0.000 1.326 337 F HN -0.016 nan 8.300 nan 0.000 0.456 338 V N 3.178 123.198 119.914 0.176 0.000 2.408 338 V HA 0.210 4.330 4.120 -0.000 0.000 0.267 338 V C 0.375 176.522 176.094 0.090 0.000 1.047 338 V CA -0.825 61.514 62.300 0.064 0.000 0.937 338 V CB 0.610 32.466 31.823 0.056 0.000 0.999 338 V HN 0.696 nan 8.190 nan 0.000 0.472 339 K N 2.888 123.267 120.400 -0.034 0.000 2.469 339 K HA 0.026 4.346 4.320 -0.000 0.000 0.274 339 K C 1.552 178.188 176.600 0.061 0.000 0.983 339 K CA 0.540 56.852 56.287 0.042 0.000 0.974 339 K CB 0.653 33.153 32.500 -0.001 0.000 0.913 339 K HN 0.907 nan 8.250 nan 0.000 0.493 340 S N 2.001 117.802 115.700 0.169 0.000 2.365 340 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 340 S C 1.842 176.504 174.600 0.102 0.000 1.039 340 S CA 1.918 60.200 58.200 0.138 0.000 1.033 340 S CB -0.684 62.611 63.200 0.158 0.000 0.887 340 S HN 0.872 nan 8.310 nan 0.000 0.447 341 H N 0.587 119.694 119.070 0.060 0.000 2.559 341 H HA 0.352 4.908 4.556 -0.000 0.000 0.273 341 H C 1.415 176.761 175.328 0.030 0.000 1.000 341 H CA 0.707 56.779 56.048 0.040 0.000 1.195 341 H CB -0.385 29.398 29.762 0.035 0.000 1.368 341 H HN 0.403 nan 8.280 nan 0.000 0.592 342 L N 0.472 121.450 121.223 -0.407 0.000 2.667 342 L HA 0.132 4.472 4.340 -0.000 0.000 0.232 342 L C 1.397 178.188 176.870 -0.133 0.000 1.138 342 L CA -0.031 54.620 54.840 -0.315 0.000 0.921 342 L CB 0.185 42.016 42.059 -0.380 0.000 1.180 342 L HN 0.262 nan 8.230 nan 0.000 0.487 343 E N 0.393 120.553 120.200 -0.066 0.000 2.274 343 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 343 E C 2.154 178.743 176.600 -0.019 0.000 0.996 343 E CA 1.220 57.606 56.400 -0.023 0.000 0.840 343 E CB 0.169 29.875 29.700 0.010 0.000 0.772 343 E HN 0.480 nan 8.360 nan 0.000 0.491 344 S N 0.026 115.715 115.700 -0.019 0.000 2.561 344 S HA 0.032 4.502 4.470 -0.000 0.000 0.225 344 S C 1.177 175.765 174.600 -0.019 0.000 0.977 344 S CA -0.148 58.047 58.200 -0.009 0.000 0.926 344 S CB -0.302 62.901 63.200 0.006 0.000 0.769 344 S HN 0.052 nan 8.310 nan 0.000 0.533 345 L N 3.176 124.376 121.223 -0.038 0.000 2.483 345 L HA 0.168 4.508 4.340 -0.000 0.000 0.275 345 L C 1.107 177.957 176.870 -0.033 0.000 1.220 345 L CA -0.383 54.432 54.840 -0.043 0.000 0.833 345 L CB 0.221 42.238 42.059 -0.070 0.000 1.102 345 L HN 0.376 nan 8.230 nan 0.000 0.490 346 S N 0.577 116.260 115.700 -0.029 0.000 2.576 346 S HA 0.011 4.481 4.470 -0.000 0.000 0.272 346 S C 0.848 175.432 174.600 -0.026 0.000 1.352 346 S CA -0.497 57.689 58.200 -0.023 0.000 1.021 346 S CB 0.857 64.045 63.200 -0.020 0.000 0.887 346 S HN 0.689 nan 8.310 nan 0.000 0.542 347 E N 0.536 120.724 120.200 -0.020 0.000 2.118 347 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 347 E C 1.986 178.573 176.600 -0.021 0.000 0.992 347 E CA 1.491 57.880 56.400 -0.018 0.000 0.804 347 E CB -0.099 29.593 29.700 -0.013 0.000 0.741 347 E HN 0.878 nan 8.360 nan 0.000 0.458 348 E N 0.724 120.911 120.200 -0.021 0.000 2.072 348 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 348 E C 1.744 178.325 176.600 -0.032 0.000 0.985 348 E CA 0.990 57.377 56.400 -0.022 0.000 0.801 348 E CB 0.137 29.826 29.700 -0.018 0.000 0.750 348 E HN 0.281 nan 8.360 nan 0.000 0.452 349 E N 0.393 120.569 120.200 -0.039 0.000 2.106 349 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 349 E C 2.106 178.659 176.600 -0.077 0.000 0.984 349 E CA 0.727 57.093 56.400 -0.057 0.000 0.806 349 E CB 0.019 29.685 29.700 -0.057 0.000 0.750 349 E HN 0.097 nan 8.360 nan 0.000 0.458 350 K N 0.612 120.973 120.400 -0.065 0.000 2.097 350 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 350 K C 2.168 178.731 176.600 -0.060 0.000 1.050 350 K CA 0.509 56.753 56.287 -0.071 0.000 0.938 350 K CB -0.020 32.452 32.500 -0.047 0.000 0.718 350 K HN 0.018 nan 8.250 nan 0.000 0.442 351 L N 1.108 122.307 121.223 -0.040 0.000 2.046 351 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 351 L C 1.920 178.771 176.870 -0.032 0.000 1.077 351 L CA 1.922 56.748 54.840 -0.024 0.000 0.747 351 L CB -0.786 41.266 42.059 -0.012 0.000 0.896 351 L HN 0.107 nan 8.230 nan 0.000 0.432 352 T N -0.275 114.251 114.554 -0.048 0.000 2.746 352 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 352 T C 1.812 176.455 174.700 -0.094 0.000 1.039 352 T CA 1.723 63.789 62.100 -0.056 0.000 1.142 352 T CB -0.366 68.467 68.868 -0.059 0.000 0.866 352 T HN 0.274 nan 8.240 nan 0.000 0.444 353 L N 0.963 122.097 121.223 -0.149 0.000 2.056 353 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 353 L C 2.229 178.997 176.870 -0.170 0.000 1.078 353 L CA 1.794 56.475 54.840 -0.266 0.000 0.749 353 L CB -0.365 41.480 42.059 -0.357 0.000 0.901 353 L HN 0.079 nan 8.230 nan 0.000 0.433 354 K N -0.788 119.565 120.400 -0.079 0.000 2.209 354 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 354 K C 1.915 178.527 176.600 0.020 0.000 1.048 354 K CA 1.074 57.358 56.287 -0.005 0.000 0.940 354 K CB -0.273 32.233 32.500 0.010 0.000 0.729 354 K HN 0.437 nan 8.250 nan 0.000 0.451 355 A N 1.514 124.336 122.820 0.004 0.000 2.167 355 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 355 A C 0.399 178.001 177.584 0.030 0.000 1.151 355 A CA 0.526 52.578 52.037 0.025 0.000 0.735 355 A CB -0.073 18.938 19.000 0.019 0.000 0.802 355 A HN 0.121 nan 8.150 nan 0.000 0.467 356 K N -0.354 120.054 120.400 0.013 0.000 2.219 356 K HA 0.211 4.531 4.320 -0.000 0.000 0.258 356 K C 0.944 177.595 176.600 0.086 0.000 1.008 356 K CA 0.294 56.606 56.287 0.041 0.000 0.928 356 K CB 0.384 32.900 32.500 0.027 0.000 0.983 356 K HN 0.144 nan 8.250 nan 0.000 0.484 357 T N 0.305 114.903 114.554 0.074 0.000 2.684 357 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 357 T C 0.984 175.754 174.700 0.116 0.000 1.036 357 T CA 1.282 63.418 62.100 0.061 0.000 1.148 357 T CB -0.151 68.682 68.868 -0.058 0.000 0.863 357 T HN 0.915 nan 8.240 nan 0.000 0.436 358 G N -0.157 108.738 108.800 0.159 0.000 2.293 358 G HA2 0.198 4.158 3.960 -0.000 0.000 0.282 358 G HA3 0.198 4.158 3.960 -0.000 0.000 0.282 358 G C -1.887 173.023 174.900 0.016 0.000 1.299 358 G CA -1.059 44.139 45.100 0.163 0.000 1.018 358 G HN 0.329 nan 8.290 nan 0.000 0.478 359 L N 1.604 122.775 121.223 -0.087 0.000 2.322 359 L HA 0.527 4.867 4.340 -0.000 0.000 0.279 359 L C -2.090 174.816 176.870 0.061 0.000 1.036 359 L CA -1.950 52.805 54.840 -0.142 0.000 0.807 359 L CB 2.274 44.142 42.059 -0.318 0.000 1.226 359 L HN 0.292 nan 8.230 nan 0.000 0.433 360 P HA 0.094 nan 4.420 nan 0.000 0.268 360 P C -0.545 176.849 177.300 0.157 0.000 1.204 360 P CA -0.109 63.081 63.100 0.150 0.000 0.768 360 P CB 0.363 32.155 31.700 0.154 0.000 0.842 361 I N 1.729 122.411 120.570 0.188 0.000 2.970 361 I HA 0.572 4.742 4.170 -0.000 0.000 0.310 361 I C -2.371 173.853 176.117 0.179 0.000 1.010 361 I CA -3.000 58.413 61.300 0.188 0.000 1.228 361 I CB 0.130 38.248 38.000 0.197 0.000 1.433 361 I HN 0.124 nan 8.210 nan 0.000 0.573 362 P HA 0.121 nan 4.420 nan 0.000 0.266 362 P C -0.017 177.385 177.300 0.169 0.000 1.193 362 P CA 0.131 63.318 63.100 0.145 0.000 0.770 362 P CB 0.210 31.989 31.700 0.131 0.000 0.836 363 L N -1.695 119.557 121.223 0.050 0.000 4.496 363 L HA -0.176 4.164 4.340 -0.000 0.000 0.419 363 L C -0.336 176.332 176.870 -0.337 0.000 1.139 363 L CA 0.190 54.960 54.840 -0.116 0.000 0.975 363 L CB -2.222 39.786 42.059 -0.085 0.000 2.099 363 L HN 0.154 nan 8.230 nan 0.000 0.818 364 V N 0.210 120.032 119.914 -0.153 0.000 2.487 364 V HA 0.428 4.548 4.120 -0.000 0.000 0.298 364 V C 0.489 176.574 176.094 -0.014 0.000 1.028 364 V CA -0.447 61.768 62.300 -0.142 0.000 0.860 364 V CB 2.192 34.016 31.823 0.003 0.000 0.991 364 V HN 0.202 nan 8.190 nan 0.000 0.427 365 R N 4.284 124.782 120.500 -0.004 0.000 2.215 365 R HA 0.608 4.948 4.340 -0.000 0.000 0.337 365 R C -1.153 175.288 176.300 0.235 0.000 1.010 365 R CA -0.421 55.754 56.100 0.125 0.000 0.871 365 R CB 0.892 31.266 30.300 0.124 0.000 1.134 365 R HN 0.706 nan 8.270 nan 0.000 0.477 366 L N 5.148 126.508 121.223 0.229 0.000 2.329 366 L HA 0.619 4.959 4.340 -0.000 0.000 0.279 366 L C -0.839 176.136 176.870 0.175 0.000 1.014 366 L CA -0.644 54.322 54.840 0.210 0.000 0.814 366 L CB 0.959 43.128 42.059 0.183 0.000 1.257 366 L HN 0.687 nan 8.230 nan 0.000 0.424 367 R N 3.209 123.703 120.500 -0.009 0.000 2.771 367 R HA 0.736 5.076 4.340 -0.000 0.000 0.274 367 R C -2.065 173.851 176.300 -0.640 0.000 0.987 367 R CA -0.967 54.957 56.100 -0.293 0.000 0.908 367 R CB 1.849 32.018 30.300 -0.217 0.000 1.213 367 R HN 0.344 nan 8.270 nan 0.000 0.468 368 V N 1.596 120.711 119.914 -1.331 0.000 2.313 368 V HA 0.729 4.849 4.120 -0.000 0.000 0.278 368 V C -0.292 175.437 176.094 -0.607 0.000 1.017 368 V CA -0.288 61.393 62.300 -1.031 0.000 0.823 368 V CB 0.652 31.583 31.823 -1.487 0.000 1.010 368 V HN 0.957 nan 8.190 nan 0.000 0.443 369 A N 3.883 126.496 122.820 -0.346 0.000 2.485 369 A HA 0.900 5.220 4.320 -0.000 0.000 0.292 369 A C -0.563 176.940 177.584 -0.135 0.000 1.147 369 A CA -0.688 51.230 52.037 -0.199 0.000 0.750 369 A CB 1.649 20.523 19.000 -0.209 0.000 1.331 369 A HN 0.785 nan 8.150 nan 0.000 0.419 370 D N -0.423 119.925 120.400 -0.085 0.000 2.453 370 D HA 0.236 4.876 4.640 -0.000 0.000 0.282 370 D C 0.619 176.884 176.300 -0.058 0.000 1.222 370 D CA 0.121 54.086 54.000 -0.059 0.000 1.079 370 D CB 0.014 40.795 40.800 -0.033 0.000 1.128 370 D HN 0.520 nan 8.370 nan 0.000 0.568 371 E N -0.876 119.300 120.200 -0.040 0.000 2.150 371 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 371 E C 1.103 177.684 176.600 -0.032 0.000 0.985 371 E CA 1.109 57.489 56.400 -0.034 0.000 0.814 371 E CB -0.009 29.677 29.700 -0.023 0.000 0.752 371 E HN 0.559 nan 8.360 nan 0.000 0.466 372 E N -0.364 119.818 120.200 -0.030 0.000 2.419 372 E HA 0.102 4.452 4.350 -0.000 0.000 0.190 372 E C 0.877 177.455 176.600 -0.037 0.000 1.040 372 E CA 0.506 56.891 56.400 -0.025 0.000 0.900 372 E CB 0.641 30.332 29.700 -0.015 0.000 1.054 372 E HN 0.250 nan 8.360 nan 0.000 0.462 373 G N 2.047 110.811 108.800 -0.060 0.000 2.162 373 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 373 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 373 G C 0.152 174.987 174.900 -0.108 0.000 0.976 373 G CA -0.080 44.960 45.100 -0.101 0.000 0.655 373 G HN 0.204 nan 8.290 nan 0.000 0.533 374 R N 0.695 121.157 120.500 -0.064 0.000 2.298 374 R HA 0.325 4.665 4.340 -0.000 0.000 0.310 374 R C -2.504 173.782 176.300 -0.023 0.000 1.068 374 R CA -1.724 54.354 56.100 -0.036 0.000 0.957 374 R CB 0.493 30.786 30.300 -0.011 0.000 1.003 374 R HN 0.131 nan 8.270 nan 0.000 0.454 375 P HA -0.086 nan 4.420 nan 0.000 0.265 375 P C 0.081 177.481 177.300 0.167 0.000 1.193 375 P CA -0.043 63.132 63.100 0.125 0.000 0.765 375 P CB 0.496 32.351 31.700 0.258 0.000 0.823 376 V N 1.904 121.943 119.914 0.210 0.000 2.904 376 V HA 0.493 4.613 4.120 -0.000 0.000 0.305 376 V C -2.381 173.943 176.094 0.383 0.000 1.067 376 V CA -2.595 59.837 62.300 0.219 0.000 1.044 376 V CB -0.001 31.898 31.823 0.126 0.000 1.050 376 V HN 0.352 nan 8.190 nan 0.000 0.475 377 P HA 0.149 nan 4.420 nan 0.000 0.265 377 P C -0.633 176.742 177.300 0.125 0.000 1.187 377 P CA 0.139 63.315 63.100 0.127 0.000 0.766 377 P CB 0.139 31.882 31.700 0.073 0.000 0.820 378 K N 2.351 122.675 120.400 -0.126 0.000 2.751 378 K HA 0.037 4.357 4.320 -0.000 0.000 0.252 378 K C 0.055 176.590 176.600 -0.109 0.000 1.277 378 K CA 0.182 56.271 56.287 -0.330 0.000 1.226 378 K CB -0.317 31.819 32.500 -0.608 0.000 1.658 378 K HN 0.463 nan 8.250 nan 0.000 0.303 379 D N -0.833 119.575 120.400 0.013 0.000 2.433 379 D HA 0.067 4.707 4.640 -0.000 0.000 0.211 379 D C 1.005 177.336 176.300 0.050 0.000 1.114 379 D CA -0.128 53.885 54.000 0.022 0.000 0.837 379 D CB 0.411 41.227 40.800 0.026 0.000 0.984 379 D HN 0.238 nan 8.370 nan 0.000 0.505 380 G N 0.629 109.487 108.800 0.096 0.000 2.168 380 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.257 380 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.257 380 G C 0.879 175.828 174.900 0.083 0.000 0.997 380 G CA 0.940 46.101 45.100 0.102 0.000 0.708 380 G HN 0.483 nan 8.290 nan 0.000 0.520 381 K N -0.825 119.628 120.400 0.087 0.000 2.585 381 K HA 0.516 4.836 4.320 -0.000 0.000 0.198 381 K C 1.431 178.071 176.600 0.066 0.000 1.403 381 K CA 0.309 56.633 56.287 0.063 0.000 1.021 381 K CB 0.472 32.999 32.500 0.046 0.000 1.558 381 K HN 0.579 nan 8.250 nan 0.000 0.524 382 A N 2.394 125.266 122.820 0.086 0.000 2.520 382 A HA 0.282 4.602 4.320 -0.000 0.000 0.245 382 A C -0.212 177.409 177.584 0.062 0.000 1.072 382 A CA 0.100 52.183 52.037 0.077 0.000 0.761 382 A CB -0.173 18.886 19.000 0.099 0.000 1.004 382 A HN 0.230 nan 8.150 nan 0.000 0.499 383 L N 2.537 123.775 121.223 0.026 0.000 2.307 383 L HA 0.706 5.046 4.340 -0.000 0.000 0.282 383 L C 0.818 177.666 176.870 -0.037 0.000 1.051 383 L CA -0.057 54.779 54.840 -0.007 0.000 0.804 383 L CB 1.750 43.807 42.059 -0.002 0.000 1.197 383 L HN 0.886 nan 8.230 nan 0.000 0.431 384 G N 1.433 110.181 108.800 -0.087 0.000 2.645 384 G HA2 0.343 4.303 3.960 -0.000 0.000 0.292 384 G HA3 0.343 4.303 3.960 -0.000 0.000 0.292 384 G C -1.961 172.852 174.900 -0.146 0.000 1.415 384 G CA -0.455 44.572 45.100 -0.121 0.000 0.785 384 G HN 0.475 nan 8.290 nan 0.000 0.483 385 E N -0.112 119.999 120.200 -0.148 0.000 2.227 385 E HA 0.449 4.799 4.350 -0.000 0.000 0.282 385 E C -0.247 176.247 176.600 -0.177 0.000 1.015 385 E CA -0.536 55.784 56.400 -0.133 0.000 0.823 385 E CB 1.551 31.187 29.700 -0.107 0.000 1.081 385 E HN 0.178 nan 8.360 nan 0.000 0.396 386 V N 4.885 124.719 119.914 -0.134 0.000 2.485 386 V HA -0.004 4.116 4.120 -0.000 0.000 0.287 386 V C 0.034 176.102 176.094 -0.043 0.000 1.022 386 V CA 0.544 62.782 62.300 -0.105 0.000 1.067 386 V CB 0.654 32.476 31.823 -0.001 0.000 0.967 386 V HN 0.722 nan 8.190 nan 0.000 0.479 387 Q N 4.890 124.669 119.800 -0.034 0.000 2.356 387 Q HA 0.746 5.086 4.340 -0.000 0.000 0.270 387 Q C -1.326 174.852 176.000 0.296 0.000 1.058 387 Q CA -0.609 55.242 55.803 0.080 0.000 0.802 387 Q CB 2.753 31.478 28.738 -0.022 0.000 1.303 387 Q HN 0.623 nan 8.270 nan 0.000 0.444 388 L N 1.425 122.892 121.223 0.406 0.000 2.388 388 L HA 0.700 5.040 4.340 -0.000 0.000 0.264 388 L C -0.837 176.110 176.870 0.128 0.000 0.998 388 L CA -0.846 54.194 54.840 0.332 0.000 0.817 388 L CB 2.302 44.530 42.059 0.281 0.000 1.338 388 L HN 0.408 nan 8.230 nan 0.000 0.414 389 K N 0.830 121.173 120.400 -0.094 0.000 2.525 389 K HA 0.819 5.139 4.320 -0.000 0.000 0.254 389 K C -1.059 175.371 176.600 -0.284 0.000 0.934 389 K CA -0.423 55.656 56.287 -0.346 0.000 0.802 389 K CB 2.542 34.552 32.500 -0.817 0.000 1.295 389 K HN 0.829 nan 8.250 nan 0.000 0.433 390 G N 2.402 111.014 108.800 -0.313 0.000 2.325 390 G HA2 0.166 4.126 3.960 -0.000 0.000 0.297 390 G HA3 0.166 4.126 3.960 -0.000 0.000 0.297 390 G C -2.672 172.009 174.900 -0.364 0.000 1.448 390 G CA -0.885 43.975 45.100 -0.400 0.000 0.838 390 G HN 0.363 nan 8.290 nan 0.000 0.579 391 P HA 0.057 nan 4.420 nan 0.000 0.233 391 P C 0.746 178.055 177.300 0.015 0.000 1.167 391 P CA 1.212 64.230 63.100 -0.137 0.000 0.770 391 P CB -0.024 31.650 31.700 -0.043 0.000 0.837 392 W N -1.000 120.315 121.300 0.024 0.000 2.771 392 W HA 0.553 5.213 4.660 -0.000 0.000 0.412 392 W C -0.406 176.116 176.519 0.004 0.000 0.965 392 W CA -1.027 56.342 57.345 0.040 0.000 2.045 392 W CB -0.971 28.551 29.460 0.104 0.000 1.176 392 W HN -0.338 nan 8.180 nan 0.000 0.634 393 I N 1.750 122.271 120.570 -0.082 0.000 2.377 393 I HA 0.217 4.387 4.170 -0.000 0.000 0.293 393 I C 0.959 176.945 176.117 -0.219 0.000 0.987 393 I CA -0.644 60.569 61.300 -0.144 0.000 1.185 393 I CB 1.730 39.620 38.000 -0.184 0.000 1.341 393 I HN -0.145 nan 8.210 nan 0.000 0.455 394 T N 4.022 118.353 114.554 -0.371 0.000 2.940 394 T HA 0.155 4.505 4.350 -0.000 0.000 0.309 394 T C 1.074 175.549 174.700 -0.375 0.000 1.056 394 T CA 0.188 62.038 62.100 -0.416 0.000 1.137 394 T CB 0.617 69.138 68.868 -0.577 0.000 0.976 394 T HN 0.848 nan 8.240 nan 0.000 0.547 395 G N 1.821 110.470 108.800 -0.250 0.000 3.233 395 G HA2 0.569 4.529 3.960 -0.000 0.000 0.234 395 G HA3 0.569 4.529 3.960 -0.000 0.000 0.234 395 G C 0.517 175.332 174.900 -0.142 0.000 1.137 395 G CA 0.255 45.266 45.100 -0.148 0.000 0.763 395 G HN 1.118 nan 8.290 nan 0.000 0.549 396 G N -1.109 107.523 108.800 -0.280 0.000 2.323 396 G HA2 0.408 4.368 3.960 -0.000 0.000 0.291 396 G HA3 0.408 4.368 3.960 -0.000 0.000 0.291 396 G C -1.950 172.656 174.900 -0.490 0.000 1.278 396 G CA -0.920 44.010 45.100 -0.282 0.000 0.860 396 G HN 0.003 nan 8.290 nan 0.000 0.504 397 Y N -1.148 119.142 120.300 -0.018 0.000 2.587 397 Y HA 0.642 5.192 4.550 -0.000 0.000 0.337 397 Y C -0.334 175.569 175.900 0.006 0.000 1.065 397 Y CA -0.770 57.308 58.100 -0.037 0.000 1.126 397 Y CB 1.888 40.327 38.460 -0.035 0.000 1.279 397 Y HN 0.642 nan 8.280 nan 0.000 0.489 398 Y N 1.036 121.367 120.300 0.052 0.000 2.359 398 Y HA 0.440 4.990 4.550 -0.000 0.000 0.334 398 Y C 0.837 176.836 175.900 0.165 0.000 1.058 398 Y CA -0.215 57.906 58.100 0.034 0.000 1.244 398 Y CB 0.573 39.005 38.460 -0.047 0.000 1.187 398 Y HN 0.800 nan 8.280 nan 0.000 0.510 399 G N 5.004 113.479 108.800 -0.541 0.000 2.323 399 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.292 399 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.292 399 G C -0.347 174.528 174.900 -0.042 0.000 1.040 399 G CA 0.454 45.295 45.100 -0.431 0.000 0.942 399 G HN 0.829 nan 8.290 nan 0.000 0.506 400 N N -0.448 118.247 118.700 -0.009 0.000 2.793 400 N HA 0.142 4.882 4.740 -0.000 0.000 0.251 400 N C 0.829 176.365 175.510 0.044 0.000 1.308 400 N CA -0.264 52.804 53.050 0.030 0.000 0.781 400 N CB 0.859 39.356 38.487 0.016 0.000 1.439 400 N HN 0.347 nan 8.380 nan 0.000 0.562 401 E N 0.759 120.974 120.200 0.024 0.000 2.106 401 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 401 E C 0.762 177.387 176.600 0.040 0.000 0.984 401 E CA 1.082 57.500 56.400 0.029 0.000 0.806 401 E CB 0.443 30.150 29.700 0.012 0.000 0.750 401 E HN 0.505 nan 8.360 nan 0.000 0.458 402 E N 0.131 120.347 120.200 0.028 0.000 2.107 402 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 402 E C 1.965 178.588 176.600 0.039 0.000 0.982 402 E CA 0.885 57.299 56.400 0.024 0.000 0.809 402 E CB -0.141 29.562 29.700 0.005 0.000 0.756 402 E HN 0.228 nan 8.360 nan 0.000 0.459 403 A N 0.949 123.793 122.820 0.041 0.000 1.929 403 A HA -0.105 4.214 4.320 -0.000 0.000 0.216 403 A C 2.426 180.173 177.584 0.273 0.000 1.176 403 A CA 1.734 53.812 52.037 0.069 0.000 0.628 403 A CB -0.730 18.195 19.000 -0.124 0.000 0.816 403 A HN 0.192 nan 8.150 nan 0.000 0.444 404 T N 0.447 115.149 114.554 0.247 0.000 2.708 404 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 404 T C 2.017 176.795 174.700 0.130 0.000 1.037 404 T CA 1.768 63.991 62.100 0.206 0.000 1.146 404 T CB -0.289 68.650 68.868 0.120 0.000 0.865 404 T HN 0.802 nan 8.240 nan 0.000 0.435 405 R N 1.276 121.831 120.500 0.091 0.000 2.189 405 R HA 0.119 4.459 4.340 -0.000 0.000 0.218 405 R C 2.354 178.692 176.300 0.062 0.000 1.074 405 R CA 1.445 57.582 56.100 0.063 0.000 0.991 405 R CB -0.377 29.948 30.300 0.041 0.000 0.883 405 R HN 0.370 nan 8.270 nan 0.000 0.457 406 S N -0.095 115.650 115.700 0.075 0.000 2.575 406 S HA 0.236 4.706 4.470 -0.000 0.000 0.215 406 S C 1.844 176.488 174.600 0.073 0.000 0.966 406 S CA 0.063 58.298 58.200 0.057 0.000 0.911 406 S CB 0.501 63.724 63.200 0.038 0.000 0.780 406 S HN 0.455 nan 8.310 nan 0.000 0.514 407 A N 1.237 124.139 122.820 0.137 0.000 1.970 407 A HA 0.428 4.748 4.320 -0.000 0.000 0.216 407 A C 0.877 178.511 177.584 0.083 0.000 1.170 407 A CA 0.395 52.534 52.037 0.171 0.000 0.645 407 A CB -0.217 18.968 19.000 0.308 0.000 0.816 407 A HN 0.570 nan 8.150 nan 0.000 0.447 408 L N 0.326 121.602 121.223 0.088 0.000 2.334 408 L HA 0.384 4.724 4.340 -0.000 0.000 0.272 408 L C 0.614 177.521 176.870 0.061 0.000 1.020 408 L CA -0.803 54.089 54.840 0.087 0.000 0.812 408 L CB 1.890 44.003 42.059 0.089 0.000 1.264 408 L HN 0.299 nan 8.230 nan 0.000 0.439 409 T N -2.234 112.371 114.554 0.085 0.000 2.816 409 T HA 0.236 4.586 4.350 -0.000 0.000 0.282 409 T C -1.888 172.860 174.700 0.080 0.000 0.993 409 T CA -1.504 60.639 62.100 0.073 0.000 0.994 409 T CB 0.959 69.879 68.868 0.087 0.000 1.025 409 T HN 0.354 nan 8.240 nan 0.000 0.529 410 P HA -0.091 nan 4.420 nan 0.000 0.216 410 P C 0.889 178.236 177.300 0.079 0.000 1.150 410 P CA 1.143 64.277 63.100 0.055 0.000 0.843 410 P CB -0.098 31.625 31.700 0.038 0.000 0.787 411 D N -1.989 118.483 120.400 0.121 0.000 2.336 411 D HA 0.139 4.779 4.640 -0.000 0.000 0.228 411 D C 1.161 177.599 176.300 0.230 0.000 1.120 411 D CA 0.197 54.300 54.000 0.173 0.000 0.839 411 D CB -0.966 39.952 40.800 0.197 0.000 0.932 411 D HN 0.214 nan 8.370 nan 0.000 0.509 412 G N -0.199 108.699 108.800 0.164 0.000 2.136 412 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.242 412 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.242 412 G C -0.270 174.645 174.900 0.025 0.000 0.989 412 G CA -0.273 44.868 45.100 0.069 0.000 0.682 412 G HN 0.301 nan 8.290 nan 0.000 0.522 413 F N -0.103 119.864 119.950 0.029 0.000 2.396 413 F HA 0.634 5.160 4.527 -0.000 0.000 0.343 413 F C 0.714 176.560 175.800 0.077 0.000 1.104 413 F CA -1.326 56.702 58.000 0.046 0.000 1.161 413 F CB 0.781 39.792 39.000 0.018 0.000 1.146 413 F HN 0.117 nan 8.300 nan 0.000 0.522 414 F N 4.336 124.345 119.950 0.099 0.000 2.456 414 F HA 0.367 4.894 4.527 -0.000 0.000 0.358 414 F C 0.189 176.047 175.800 0.095 0.000 1.095 414 F CA -0.716 57.317 58.000 0.055 0.000 1.216 414 F CB 0.375 39.372 39.000 -0.005 0.000 1.125 414 F HN 0.365 nan 8.300 nan 0.000 0.549 415 R N 4.605 124.617 120.500 -0.813 0.000 2.196 415 R HA 0.156 4.496 4.340 -0.000 0.000 0.340 415 R C 1.226 176.934 176.300 -0.986 0.000 1.043 415 R CA 0.408 56.123 56.100 -0.642 0.000 0.883 415 R CB 0.743 30.845 30.300 -0.330 0.000 1.078 415 R HN 0.878 nan 8.270 nan 0.000 0.462 416 T N -0.687 113.545 114.554 -0.538 0.000 2.904 416 T HA -0.009 4.341 4.350 -0.000 0.000 0.267 416 T C 1.540 176.190 174.700 -0.083 0.000 1.059 416 T CA 0.863 62.835 62.100 -0.213 0.000 1.137 416 T CB 0.051 68.996 68.868 0.128 0.000 0.879 416 T HN 0.785 nan 8.240 nan 0.000 0.467 417 G N 1.423 110.164 108.800 -0.098 0.000 2.157 417 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.248 417 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.248 417 G C -0.458 174.456 174.900 0.024 0.000 0.979 417 G CA 0.085 45.163 45.100 -0.037 0.000 0.650 417 G HN 0.627 nan 8.290 nan 0.000 0.529 418 D N 0.785 121.215 120.400 0.050 0.000 2.193 418 D HA 0.511 5.151 4.640 -0.000 0.000 0.244 418 D C 0.580 176.884 176.300 0.005 0.000 1.064 418 D CA -0.365 53.679 54.000 0.074 0.000 0.845 418 D CB 1.484 42.377 40.800 0.154 0.000 1.148 418 D HN 0.054 nan 8.370 nan 0.000 0.464 419 I N 1.475 122.046 120.570 0.002 0.000 2.396 419 I HA 0.536 4.706 4.170 -0.000 0.000 0.292 419 I C 0.532 176.622 176.117 -0.045 0.000 0.999 419 I CA -0.526 60.756 61.300 -0.029 0.000 1.310 419 I CB 0.723 38.718 38.000 -0.008 0.000 1.404 419 I HN 0.376 nan 8.210 nan 0.000 0.496 420 A N 6.020 128.790 122.820 -0.083 0.000 2.602 420 A HA 0.830 5.150 4.320 -0.000 0.000 0.290 420 A C -0.881 176.657 177.584 -0.077 0.000 1.114 420 A CA -0.527 51.456 52.037 -0.089 0.000 0.683 420 A CB 1.852 20.765 19.000 -0.145 0.000 1.281 420 A HN 0.520 nan 8.150 nan 0.000 0.416 421 V N -2.411 117.494 119.914 -0.015 0.000 2.919 421 V HA 1.001 5.121 4.120 -0.000 0.000 0.316 421 V C -0.961 175.246 176.094 0.188 0.000 1.077 421 V CA -0.745 61.599 62.300 0.074 0.000 0.977 421 V CB 1.677 33.560 31.823 0.099 0.000 1.039 421 V HN 1.634 nan 8.190 nan 0.000 0.441 422 W N 2.170 123.476 121.300 0.010 0.000 3.107 422 W HA 0.875 5.535 4.660 -0.000 0.000 0.331 422 W C -1.355 175.184 176.519 0.033 0.000 1.204 422 W CA -1.592 55.768 57.345 0.025 0.000 1.184 422 W CB 0.189 29.659 29.460 0.016 0.000 1.421 422 W HN 0.856 nan 8.180 nan 0.000 0.544 423 D N -0.516 119.975 120.400 0.152 0.000 2.621 423 D HA 0.300 4.940 4.640 -0.000 0.000 0.255 423 D C 0.808 177.051 176.300 -0.094 0.000 1.122 423 D CA -0.539 53.471 54.000 0.017 0.000 1.096 423 D CB 1.075 41.917 40.800 0.069 0.000 1.282 423 D HN 0.331 nan 8.370 nan 0.000 0.619 424 E N -0.445 119.715 120.200 -0.067 0.000 2.204 424 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 424 E C 1.118 177.696 176.600 -0.035 0.000 0.989 424 E CA 0.800 57.147 56.400 -0.088 0.000 0.824 424 E CB 0.036 29.706 29.700 -0.050 0.000 0.756 424 E HN 0.494 nan 8.360 nan 0.000 0.477 425 E N -0.295 119.940 120.200 0.058 0.000 2.435 425 E HA -0.002 4.348 4.350 -0.000 0.000 0.195 425 E C 1.243 177.870 176.600 0.045 0.000 1.029 425 E CA 0.671 57.150 56.400 0.132 0.000 0.865 425 E CB 0.519 30.402 29.700 0.305 0.000 0.833 425 E HN 0.404 nan 8.360 nan 0.000 0.510 426 G N 0.857 109.663 108.800 0.010 0.000 2.176 426 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.232 426 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.232 426 G C -0.129 174.760 174.900 -0.018 0.000 0.986 426 G CA -0.162 44.912 45.100 -0.043 0.000 0.643 426 G HN 0.219 nan 8.290 nan 0.000 0.522 427 Y N 0.273 120.596 120.300 0.038 0.000 2.425 427 Y HA 0.446 4.996 4.550 -0.000 0.000 0.331 427 Y C 1.031 176.996 175.900 0.108 0.000 1.157 427 Y CA -0.236 57.889 58.100 0.041 0.000 1.372 427 Y CB 1.277 39.734 38.460 -0.006 0.000 1.253 427 Y HN 0.075 nan 8.280 nan 0.000 0.536 428 V N 3.801 123.844 119.914 0.214 0.000 2.532 428 V HA 0.339 4.459 4.120 -0.000 0.000 0.295 428 V C -0.470 175.671 176.094 0.078 0.000 1.041 428 V CA -1.053 61.330 62.300 0.138 0.000 0.926 428 V CB 1.679 33.525 31.823 0.039 0.000 0.992 428 V HN 0.695 nan 8.190 nan 0.000 0.457 429 E N 3.773 123.995 120.200 0.036 0.000 2.279 429 E HA 0.388 4.738 4.350 -0.000 0.000 0.252 429 E C -1.124 175.450 176.600 -0.043 0.000 0.894 429 E CA -0.690 55.714 56.400 0.006 0.000 0.785 429 E CB 1.692 31.414 29.700 0.037 0.000 1.237 429 E HN 0.431 nan 8.360 nan 0.000 0.418 430 I N 3.656 124.172 120.570 -0.091 0.000 2.587 430 I HA -0.043 4.127 4.170 -0.000 0.000 0.284 430 I C 1.194 177.306 176.117 -0.009 0.000 1.134 430 I CA 0.581 61.831 61.300 -0.083 0.000 1.410 430 I CB 0.140 38.077 38.000 -0.104 0.000 1.392 430 I HN 0.528 nan 8.210 nan 0.000 0.545 431 K N 2.999 123.400 120.400 0.002 0.000 2.387 431 K HA 0.180 4.500 4.320 -0.000 0.000 0.197 431 K C 0.180 176.805 176.600 0.041 0.000 1.127 431 K CA 0.286 56.587 56.287 0.024 0.000 0.950 431 K CB 0.808 33.320 32.500 0.019 0.000 1.017 431 K HN 0.590 nan 8.250 nan 0.000 0.519 432 D N -0.551 119.873 120.400 0.041 0.000 2.825 432 D HA 0.342 4.982 4.640 -0.000 0.000 0.327 432 D C -1.395 174.949 176.300 0.073 0.000 1.277 432 D CA -0.519 53.516 54.000 0.059 0.000 0.950 432 D CB 1.720 42.547 40.800 0.045 0.000 1.438 432 D HN -0.237 nan 8.370 nan 0.000 0.526 433 R N 0.827 121.376 120.500 0.082 0.000 2.574 433 R HA 0.433 4.773 4.340 -0.000 0.000 0.288 433 R C 0.790 177.126 176.300 0.060 0.000 1.004 433 R CA -0.452 55.705 56.100 0.094 0.000 0.895 433 R CB 1.449 31.840 30.300 0.151 0.000 1.191 433 R HN 0.292 nan 8.270 nan 0.000 0.444 434 L N 2.245 123.490 121.223 0.037 0.000 2.093 434 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 434 L C 0.161 177.040 176.870 0.016 0.000 1.085 434 L CA 1.304 56.153 54.840 0.015 0.000 0.755 434 L CB -0.098 41.956 42.059 -0.008 0.000 0.904 434 L HN 0.474 nan 8.230 nan 0.000 0.435 435 K N 0.686 121.097 120.400 0.018 0.000 2.379 435 K HA 0.053 4.373 4.320 -0.000 0.000 0.284 435 K C -0.434 176.188 176.600 0.036 0.000 1.044 435 K CA -0.208 56.080 56.287 0.002 0.000 0.974 435 K CB 0.497 32.971 32.500 -0.043 0.000 0.962 435 K HN -0.159 nan 8.250 nan 0.000 0.474 436 D N 4.004 124.419 120.400 0.024 0.000 2.551 436 D HA 0.177 4.817 4.640 -0.000 0.000 0.223 436 D C -1.235 175.104 176.300 0.066 0.000 1.144 436 D CA -0.035 53.991 54.000 0.043 0.000 1.025 436 D CB -0.147 40.666 40.800 0.021 0.000 1.085 436 D HN 0.312 nan 8.370 nan 0.000 0.506 437 L N 2.175 123.477 121.223 0.131 0.000 2.359 437 L HA 0.587 4.926 4.340 -0.000 0.000 0.256 437 L C -0.631 176.418 176.870 0.298 0.000 1.026 437 L CA -0.884 54.089 54.840 0.221 0.000 0.828 437 L CB 2.027 44.233 42.059 0.244 0.000 1.406 437 L HN 0.110 nan 8.230 nan 0.000 0.413 438 I N 1.107 121.863 120.570 0.310 0.000 2.404 438 I HA 0.431 4.601 4.170 -0.000 0.000 0.293 438 I C -0.462 175.783 176.117 0.214 0.000 0.992 438 I CA -0.488 60.944 61.300 0.220 0.000 1.149 438 I CB 1.620 39.687 38.000 0.113 0.000 1.315 438 I HN 0.366 nan 8.210 nan 0.000 0.446 439 K N 4.299 124.711 120.400 0.021 0.000 2.367 439 K HA 0.486 4.806 4.320 -0.000 0.000 0.263 439 K C -0.842 175.707 176.600 -0.084 0.000 1.000 439 K CA -0.241 55.890 56.287 -0.261 0.000 0.891 439 K CB 1.262 33.342 32.500 -0.700 0.000 1.117 439 K HN 0.618 nan 8.250 nan 0.000 0.443 440 S N 2.942 118.633 115.700 -0.015 0.000 2.530 440 S HA 0.445 4.915 4.470 -0.000 0.000 0.322 440 S C 0.432 175.049 174.600 0.028 0.000 1.085 440 S CA 0.299 58.517 58.200 0.031 0.000 1.096 440 S CB 0.955 64.154 63.200 -0.001 0.000 0.988 440 S HN 0.909 nan 8.310 nan 0.000 0.466 441 G N 3.143 112.049 108.800 0.178 0.000 2.283 441 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.280 441 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.280 441 G C 1.174 176.097 174.900 0.038 0.000 1.029 441 G CA 0.559 45.788 45.100 0.215 0.000 0.840 441 G HN 2.232 nan 8.290 nan 0.000 0.505 442 G N -1.970 106.816 108.800 -0.023 0.000 2.143 442 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.249 442 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.249 442 G C -0.067 174.766 174.900 -0.111 0.000 0.981 442 G CA 0.878 45.943 45.100 -0.058 0.000 0.665 442 G HN 1.039 nan 8.290 nan 0.000 0.528 443 E N -1.123 118.986 120.200 -0.152 0.000 2.288 443 E HA 0.540 4.890 4.350 -0.000 0.000 0.268 443 E C -0.574 176.049 176.600 0.039 0.000 0.885 443 E CA -0.886 55.482 56.400 -0.054 0.000 0.767 443 E CB 1.108 30.704 29.700 -0.174 0.000 1.220 443 E HN 0.286 nan 8.360 nan 0.000 0.427 444 W N 1.843 123.332 121.300 0.314 0.000 2.376 444 W HA 0.486 5.146 4.660 -0.000 0.000 0.322 444 W C 0.276 176.961 176.519 0.275 0.000 1.160 444 W CA -0.346 57.155 57.345 0.260 0.000 1.218 444 W CB 0.703 30.276 29.460 0.189 0.000 1.205 444 W HN 0.247 nan 8.180 nan 0.000 0.559 445 I N 2.235 123.062 120.570 0.429 0.000 2.498 445 I HA 0.176 4.346 4.170 -0.000 0.000 0.290 445 I C -0.100 176.130 176.117 0.188 0.000 1.032 445 I CA -0.832 60.588 61.300 0.199 0.000 1.073 445 I CB 2.004 40.018 38.000 0.023 0.000 1.251 445 I HN 0.173 nan 8.210 nan 0.000 0.426 446 S N 2.633 118.413 115.700 0.133 0.000 2.465 446 S HA 0.192 4.662 4.470 -0.000 0.000 0.279 446 S C 1.138 175.754 174.600 0.026 0.000 1.201 446 S CA -0.491 57.762 58.200 0.090 0.000 1.053 446 S CB 0.876 64.128 63.200 0.086 0.000 0.953 446 S HN 0.696 nan 8.310 nan 0.000 0.488 447 S N 3.907 119.617 115.700 0.017 0.000 2.368 447 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 447 S C 1.976 176.555 174.600 -0.034 0.000 1.030 447 S CA 1.253 59.438 58.200 -0.024 0.000 0.999 447 S CB -0.371 62.825 63.200 -0.006 0.000 0.844 447 S HN 0.655 nan 8.310 nan 0.000 0.459 448 V N 2.580 122.490 119.914 -0.006 0.000 2.295 448 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 448 V C 1.991 178.094 176.094 0.016 0.000 1.049 448 V CA 2.060 64.359 62.300 -0.002 0.000 1.024 448 V CB -1.004 30.821 31.823 0.002 0.000 0.648 448 V HN 0.334 nan 8.190 nan 0.000 0.447 449 D N 0.093 120.529 120.400 0.060 0.000 2.178 449 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 449 D C 2.060 178.449 176.300 0.148 0.000 0.980 449 D CA 1.028 55.135 54.000 0.180 0.000 0.842 449 D CB -0.203 40.795 40.800 0.330 0.000 0.948 449 D HN 0.326 nan 8.370 nan 0.000 0.472 450 L N 0.296 121.432 121.223 -0.145 0.000 2.156 450 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 450 L C 2.148 178.921 176.870 -0.162 0.000 1.095 450 L CA 0.906 55.514 54.840 -0.387 0.000 0.770 450 L CB -0.136 41.639 42.059 -0.473 0.000 0.914 450 L HN 0.045 nan 8.230 nan 0.000 0.439 451 E N 0.439 120.588 120.200 -0.085 0.000 2.001 451 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 451 E C 0.461 177.050 176.600 -0.018 0.000 0.994 451 E CA 0.892 57.264 56.400 -0.047 0.000 0.815 451 E CB -0.023 29.657 29.700 -0.034 0.000 0.770 451 E HN 0.447 nan 8.360 nan 0.000 0.453 452 N N 1.272 119.972 118.700 0.001 0.000 3.027 452 N HA 0.198 4.938 4.740 -0.000 0.000 0.309 452 N C -0.651 174.881 175.510 0.037 0.000 1.222 452 N CA 0.285 53.344 53.050 0.014 0.000 1.187 452 N CB 0.641 39.136 38.487 0.014 0.000 1.458 452 N HN 0.113 nan 8.380 nan 0.000 0.535 465 V N 3.079 122.946 119.914 -0.078 0.000 2.444 465 V HA 0.675 4.795 4.120 -0.000 0.000 0.294 465 V C 0.116 176.167 176.094 -0.072 0.000 1.022 465 V CA -0.412 61.829 62.300 -0.098 0.000 0.850 465 V CB 1.467 33.225 31.823 -0.108 0.000 0.992 465 V HN 1.401 nan 8.190 nan 0.000 0.426 466 V N 1.999 121.864 119.914 -0.082 0.000 2.815 466 V HA 0.977 5.097 4.120 -0.000 0.000 0.314 466 V C 0.288 176.382 176.094 -0.000 0.000 1.064 466 V CA -1.088 61.190 62.300 -0.036 0.000 0.952 466 V CB 1.844 33.642 31.823 -0.042 0.000 1.020 466 V HN 0.956 nan 8.190 nan 0.000 0.439 467 A N 4.440 127.289 122.820 0.047 0.000 2.302 467 A HA 0.720 5.040 4.320 -0.000 0.000 0.295 467 A C -0.293 177.365 177.584 0.125 0.000 1.235 467 A CA -0.351 51.740 52.037 0.090 0.000 0.876 467 A CB -0.292 18.773 19.000 0.108 0.000 1.133 467 A HN 0.681 nan 8.150 nan 0.000 0.533 468 I N 4.148 124.832 120.570 0.189 0.000 2.378 468 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 468 I C -2.387 173.927 176.117 0.328 0.000 0.992 468 I CA -2.673 58.782 61.300 0.260 0.000 1.154 468 I CB 1.274 39.457 38.000 0.305 0.000 1.315 468 I HN 0.333 nan 8.210 nan 0.000 0.448 469 P HA -0.017 nan 4.420 nan 0.000 0.263 469 P C -0.533 176.970 177.300 0.337 0.000 1.175 469 P CA 0.784 64.036 63.100 0.254 0.000 0.761 469 P CB 0.293 32.102 31.700 0.182 0.000 0.794 470 H N 4.222 123.415 119.070 0.206 0.000 2.679 470 H HA 0.253 4.809 4.556 -0.000 0.000 0.360 470 H C -2.028 173.386 175.328 0.142 0.000 1.105 470 H CA -2.163 54.007 56.048 0.202 0.000 1.196 470 H CB 2.071 31.952 29.762 0.199 0.000 1.636 470 H HN 0.155 nan 8.280 nan 0.000 0.531 471 P HA -0.134 nan 4.420 nan 0.000 0.213 471 P C 1.375 178.735 177.300 0.100 0.000 1.170 471 P CA 1.519 64.625 63.100 0.010 0.000 0.898 471 P CB 0.580 32.215 31.700 -0.108 0.000 0.787 472 K N -1.778 118.730 120.400 0.180 0.000 1.991 472 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 472 K C 1.431 177.880 176.600 -0.252 0.000 1.038 472 K CA 0.910 57.096 56.287 -0.168 0.000 0.943 472 K CB -0.306 31.855 32.500 -0.565 0.000 0.736 472 K HN 0.037 nan 8.250 nan 0.000 0.440 473 W N 0.806 122.167 121.300 0.102 0.000 1.626 473 W HA -0.007 4.653 4.660 -0.000 0.000 0.491 473 W C 1.662 178.228 176.519 0.079 0.000 2.109 473 W CA 0.073 57.414 57.345 -0.006 0.000 2.342 473 W CB -0.417 28.945 29.460 -0.163 0.000 1.878 473 W HN 0.271 nan 8.180 nan 0.000 0.831 474 Q N -0.613 119.368 119.800 0.302 0.000 2.143 474 Q HA 0.252 4.592 4.340 -0.000 0.000 0.242 474 Q C -0.360 175.771 176.000 0.218 0.000 0.790 474 Q CA 0.434 56.372 55.803 0.226 0.000 0.954 474 Q CB 1.767 30.597 28.738 0.153 0.000 1.155 474 Q HN 0.501 nan 8.270 nan 0.000 0.474 475 E N 0.702 121.022 120.200 0.199 0.000 2.366 475 E HA 0.616 4.966 4.350 -0.000 0.000 0.278 475 E C -1.056 175.607 176.600 0.105 0.000 0.923 475 E CA -0.779 55.723 56.400 0.171 0.000 0.761 475 E CB 1.998 31.772 29.700 0.124 0.000 1.231 475 E HN -0.150 nan 8.360 nan 0.000 0.443 476 R N 1.463 122.024 120.500 0.101 0.000 2.604 476 R HA 0.439 4.779 4.340 -0.000 0.000 0.281 476 R C -2.835 173.494 176.300 0.048 0.000 1.020 476 R CA -2.589 53.482 56.100 -0.047 0.000 0.899 476 R CB 1.459 31.562 30.300 -0.327 0.000 1.205 476 R HN 0.312 nan 8.270 nan 0.000 0.450 477 P HA 0.113 nan 4.420 nan 0.000 0.267 477 P C -0.724 176.547 177.300 -0.050 0.000 1.205 477 P CA -0.194 62.866 63.100 -0.067 0.000 0.765 477 P CB 0.517 32.119 31.700 -0.163 0.000 0.828 478 L N 3.200 124.362 121.223 -0.101 0.000 2.406 478 L HA 0.695 5.035 4.340 -0.000 0.000 0.270 478 L C -0.589 176.109 176.870 -0.287 0.000 0.982 478 L CA -0.601 54.099 54.840 -0.234 0.000 0.843 478 L CB 1.236 43.106 42.059 -0.316 0.000 1.225 478 L HN 0.343 nan 8.230 nan 0.000 0.412 479 A N 4.309 126.931 122.820 -0.329 0.000 2.322 479 A HA 0.757 5.077 4.320 -0.000 0.000 0.269 479 A C -0.791 176.706 177.584 -0.146 0.000 1.094 479 A CA -0.448 51.475 52.037 -0.190 0.000 0.807 479 A CB 1.111 20.066 19.000 -0.076 0.000 1.047 479 A HN 0.534 nan 8.150 nan 0.000 0.487 480 V N 2.057 121.914 119.914 -0.094 0.000 2.495 480 V HA 0.546 4.666 4.120 -0.000 0.000 0.298 480 V C -0.197 175.884 176.094 -0.021 0.000 1.031 480 V CA -0.217 62.028 62.300 -0.092 0.000 0.871 480 V CB 1.368 33.112 31.823 -0.131 0.000 0.988 480 V HN 0.763 nan 8.190 nan 0.000 0.432 502 F N 1.278 121.176 119.950 -0.086 0.000 2.593 502 F HA 0.822 5.349 4.527 -0.000 0.000 0.320 502 F C 0.527 176.234 175.800 -0.154 0.000 1.060 502 F CA -0.615 57.299 58.000 -0.145 0.000 0.940 502 F CB 2.261 41.157 39.000 -0.173 0.000 1.268 502 F HN 0.294 nan 8.300 nan 0.000 0.475 503 A N 1.462 124.255 122.820 -0.046 0.000 2.257 503 A HA 0.433 4.753 4.320 -0.000 0.000 0.289 503 A C 0.912 178.397 177.584 -0.164 0.000 1.095 503 A CA -0.543 51.439 52.037 -0.093 0.000 0.836 503 A CB 0.681 19.653 19.000 -0.046 0.000 1.111 503 A HN 0.939 nan 8.150 nan 0.000 0.497 504 K N 0.382 120.767 120.400 -0.025 0.000 2.147 504 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 504 K C 1.582 178.161 176.600 -0.036 0.000 1.049 504 K CA 1.911 58.193 56.287 -0.009 0.000 0.936 504 K CB -0.122 32.413 32.500 0.058 0.000 0.722 504 K HN 0.938 nan 8.250 nan 0.000 0.446 505 W N 1.119 122.371 121.300 -0.080 0.000 2.584 505 W HA -0.033 4.627 4.660 -0.000 0.000 0.264 505 W C 0.952 177.362 176.519 -0.182 0.000 1.264 505 W CA 0.332 57.574 57.345 -0.172 0.000 1.306 505 W CB -0.453 28.910 29.460 -0.161 0.000 1.110 505 W HN 0.074 nan 8.180 nan 0.000 0.606 506 Q N 1.118 120.394 119.800 -0.873 0.000 2.311 506 Q HA 0.087 4.427 4.340 -0.000 0.000 0.203 506 Q C 0.909 176.637 176.000 -0.454 0.000 0.954 506 Q CA 0.236 55.547 55.803 -0.820 0.000 0.885 506 Q CB -0.037 28.191 28.738 -0.850 0.000 0.963 506 Q HN 0.229 nan 8.270 nan 0.000 0.471 507 L N 3.871 124.896 121.223 -0.330 0.000 2.513 507 L HA 0.055 4.395 4.340 -0.000 0.000 0.272 507 L C -1.950 174.771 176.870 -0.249 0.000 1.187 507 L CA -1.492 53.202 54.840 -0.243 0.000 0.895 507 L CB -0.013 41.966 42.059 -0.133 0.000 1.147 507 L HN -0.034 nan 8.230 nan 0.000 0.483 508 P HA -0.013 nan 4.420 nan 0.000 0.263 508 P C -0.397 176.708 177.300 -0.325 0.000 1.195 508 P CA -0.152 62.751 63.100 -0.328 0.000 0.762 508 P CB 0.759 32.189 31.700 -0.450 0.000 0.799 509 D N 1.849 122.138 120.400 -0.186 0.000 2.178 509 D HA -0.001 4.639 4.640 -0.000 0.000 0.201 509 D C 0.860 177.169 176.300 0.014 0.000 0.980 509 D CA 1.485 55.452 54.000 -0.057 0.000 0.842 509 D CB 0.082 40.849 40.800 -0.055 0.000 0.948 509 D HN 0.504 nan 8.370 nan 0.000 0.472 510 A N -1.175 121.579 122.820 -0.111 0.000 2.594 510 A HA 0.599 4.919 4.320 -0.000 0.000 0.295 510 A C -1.502 175.806 177.584 -0.459 0.000 1.071 510 A CA -0.782 51.177 52.037 -0.129 0.000 0.685 510 A CB 0.959 20.032 19.000 0.121 0.000 1.285 510 A HN -0.029 nan 8.150 nan 0.000 0.405 527 K N 1.005 121.415 120.400 0.016 0.000 2.567 527 K HA 0.282 4.602 4.320 -0.000 0.000 0.218 527 K C 0.864 177.482 176.600 0.030 0.000 1.440 527 K CA -0.377 55.921 56.287 0.018 0.000 0.995 527 K CB 0.736 33.245 32.500 0.014 0.000 1.186 527 K HN 0.602 nan 8.250 nan 0.000 0.593 528 R N 0.626 121.144 120.500 0.030 0.000 2.357 528 R HA 0.054 4.394 4.340 -0.000 0.000 0.202 528 R C 1.368 177.693 176.300 0.042 0.000 1.047 528 R CA 0.685 56.806 56.100 0.036 0.000 1.034 528 R CB -0.172 30.146 30.300 0.029 0.000 0.875 528 R HN 0.106 nan 8.270 nan 0.000 0.473 529 A N 0.758 123.605 122.820 0.046 0.000 1.970 529 A HA 0.173 4.493 4.320 -0.000 0.000 0.204 529 A C 2.123 179.760 177.584 0.088 0.000 1.325 529 A CA -0.161 51.910 52.037 0.057 0.000 0.767 529 A CB -0.074 18.956 19.000 0.049 0.000 0.949 529 A HN 0.137 nan 8.150 nan 0.000 0.481 530 L N -0.418 120.860 121.223 0.091 0.000 2.201 530 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 530 L C 2.664 179.631 176.870 0.160 0.000 1.105 530 L CA 1.323 56.247 54.840 0.140 0.000 0.775 530 L CB -0.357 41.721 42.059 0.032 0.000 0.913 530 L HN 0.424 nan 8.230 nan 0.000 0.440 531 R N 0.385 120.945 120.500 0.100 0.000 2.066 531 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 531 R C 2.185 178.554 176.300 0.115 0.000 1.131 531 R CA 1.427 57.588 56.100 0.101 0.000 0.955 531 R CB -0.017 30.329 30.300 0.076 0.000 0.851 531 R HN 0.302 nan 8.270 nan 0.000 0.432 532 E N -0.209 120.046 120.200 0.093 0.000 2.208 532 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 532 E C 1.900 178.539 176.600 0.065 0.000 0.988 532 E CA 0.783 57.226 56.400 0.072 0.000 0.828 532 E CB 0.222 29.953 29.700 0.052 0.000 0.763 532 E HN 0.376 nan 8.360 nan 0.000 0.478 533 Q N -0.499 119.356 119.800 0.091 0.000 2.020 533 Q HA -0.128 4.212 4.340 -0.000 0.000 0.198 533 Q C 0.543 176.516 176.000 -0.044 0.000 0.974 533 Q CA 1.111 56.927 55.803 0.023 0.000 0.829 533 Q CB 0.087 28.865 28.738 0.066 0.000 0.894 533 Q HN 0.295 nan 8.270 nan 0.000 0.433 534 Y N 0.869 121.186 120.300 0.029 0.000 2.676 534 Y HA 0.160 4.710 4.550 -0.000 0.000 0.331 534 Y C 1.416 177.349 175.900 0.055 0.000 1.128 534 Y CA -0.094 58.033 58.100 0.046 0.000 1.360 534 Y CB 0.146 38.597 38.460 -0.015 0.000 1.176 534 Y HN 0.087 nan 8.280 nan 0.000 0.518 535 K N 1.011 121.496 120.400 0.143 0.000 2.160 535 K HA -0.227 4.093 4.320 -0.000 0.000 0.206 535 K C 0.297 176.967 176.600 0.117 0.000 1.047 535 K CA 1.490 57.848 56.287 0.118 0.000 0.930 535 K CB 0.029 32.575 32.500 0.077 0.000 0.720 535 K HN 0.343 nan 8.250 nan 0.000 0.450 536 N N -0.242 118.514 118.700 0.093 0.000 2.541 536 N HA 0.056 4.796 4.740 -0.000 0.000 0.297 536 N C 0.150 175.693 175.510 0.055 0.000 1.503 536 N CA -0.225 52.867 53.050 0.070 0.000 0.919 536 N CB 0.125 38.626 38.487 0.024 0.000 1.305 536 N HN 0.100 nan 8.380 nan 0.000 0.501 537 Y N -0.130 120.143 120.300 -0.045 0.000 2.220 537 Y HA -0.108 4.442 4.550 -0.000 0.000 0.291 537 Y C 0.490 176.280 175.900 -0.184 0.000 1.129 537 Y CA 1.658 59.667 58.100 -0.151 0.000 1.161 537 Y CB 0.157 38.464 38.460 -0.254 0.000 0.997 537 Y HN 0.231 nan 8.280 nan 0.000 0.522 538 Y N 0.378 120.829 120.300 0.252 0.000 2.470 538 Y HA 0.300 4.850 4.550 -0.000 0.000 0.284 538 Y C 1.333 177.219 175.900 -0.024 0.000 1.188 538 Y CA -0.287 57.893 58.100 0.134 0.000 1.269 538 Y CB -0.311 38.276 38.460 0.213 0.000 1.094 538 Y HN 0.148 nan 8.280 nan 0.000 0.518 539 G N 1.164 110.017 108.800 0.088 0.000 2.296 539 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.263 539 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.263 539 G C 0.427 175.329 174.900 0.004 0.000 0.887 539 G CA 0.375 45.489 45.100 0.023 0.000 1.318 539 G HN 0.739 nan 8.290 nan 0.000 0.403 540 G N 0.500 109.316 108.800 0.027 0.000 3.418 540 G HA2 0.873 4.833 3.960 -0.000 0.000 0.325 540 G HA3 0.873 4.833 3.960 -0.000 0.000 0.325 540 G C 0.548 175.467 174.900 0.033 0.000 1.556 540 G CA 1.326 46.434 45.100 0.014 0.000 1.047 540 G HN 2.356 nan 8.290 nan 0.000 0.500 541 A N 0.000 122.831 122.820 0.019 0.000 2.254 541 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 541 A CA 0.000 52.050 52.037 0.021 0.000 0.836 541 A CB 0.000 19.016 19.000 0.026 0.000 0.831 541 A HN 0.000 nan 8.150 nan 0.000 0.486