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 2oqc_1_B DATA FIRST_RESID 1 DATA SEQUENCE CTSLTLETAD RKHVLARTMD FAFQLGTEVI LYPRRYSWNS EXADGRAHQT DATA SEQUENCE QYAFIGMGRK LGNIXLFADG INESGLSCAA LYFPGYAEYE KTIREDTVHI DATA SEQUENCE VPHEFVTWVL SVCQSLEDVK EKIRSLTIVE KKLDLLDTVL PLHWILSDRT DATA SEQUENCE GRNLTIEPRA DGLKVYDNQP GVMTNSPDFI WHVTNLQQYT GIRPKQLEXX DATA SEQUENCE XXXXXXXXAF GQGLGTVGLP GDYTPPSRFV RAVYLKEHLE PAADETKGVT DATA SEQUENCE AAFQILANMT IPKGAVITEE DEIHYTQYTS VMCNETGNYY FHHYDNRQIQ DATA SEQUENCE KVNLFHEDLD CLEPKVFSAK AEESIHELN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 175.042 174.990 0.087 0.000 1.270 1 C CA 0.000 59.067 59.018 0.081 0.000 1.963 1 C CB 0.000 27.770 27.740 0.051 0.000 2.134 2 T N 2.464 117.046 114.554 0.046 0.000 2.812 2 T HA 0.815 5.165 4.350 -0.000 0.000 0.282 2 T C -0.149 174.541 174.700 -0.015 0.000 0.990 2 T CA -0.308 61.810 62.100 0.030 0.000 0.960 2 T CB 1.567 70.465 68.868 0.050 0.000 0.948 2 T HN 1.058 nan 8.240 nan 0.000 0.438 3 S N 2.825 118.494 115.700 -0.052 0.000 2.599 3 S HA 0.937 5.406 4.470 -0.000 0.000 0.294 3 S C -1.029 173.503 174.600 -0.113 0.000 1.094 3 S CA -0.992 57.164 58.200 -0.073 0.000 0.931 3 S CB 1.382 64.541 63.200 -0.068 0.000 1.093 3 S HN 0.839 nan 8.310 nan 0.000 0.488 4 L N -1.407 119.755 121.223 -0.102 0.000 2.653 4 L HA 0.847 5.187 4.340 -0.000 0.000 0.257 4 L C -0.528 176.288 176.870 -0.090 0.000 0.969 4 L CA -0.774 53.999 54.840 -0.112 0.000 0.869 4 L CB 1.478 43.468 42.059 -0.114 0.000 1.439 4 L HN 0.864 nan 8.230 nan 0.000 0.414 5 T N 0.067 114.576 114.554 -0.075 0.000 2.943 5 T HA 0.873 5.223 4.350 -0.000 0.000 0.284 5 T C -0.612 174.057 174.700 -0.052 0.000 1.015 5 T CA -0.644 61.425 62.100 -0.052 0.000 1.042 5 T CB 1.624 70.477 68.868 -0.025 0.000 1.055 5 T HN 0.588 nan 8.240 nan 0.000 0.500 6 L N 0.757 121.950 121.223 -0.049 0.000 2.376 6 L HA 0.655 4.995 4.340 -0.000 0.000 0.258 6 L C -0.431 176.404 176.870 -0.058 0.000 1.013 6 L CA -0.791 54.011 54.840 -0.062 0.000 0.822 6 L CB 2.100 44.101 42.059 -0.096 0.000 1.388 6 L HN 1.009 nan 8.230 nan 0.000 0.413 7 E N -0.048 120.099 120.200 -0.088 0.000 2.234 7 E HA 0.590 4.940 4.350 -0.000 0.000 0.266 7 E C -1.045 175.452 176.600 -0.173 0.000 0.877 7 E CA -0.489 55.802 56.400 -0.182 0.000 0.758 7 E CB 1.732 31.354 29.700 -0.130 0.000 1.170 7 E HN 0.706 nan 8.360 nan 0.000 0.415 8 T N 0.520 114.947 114.554 -0.212 0.000 2.912 8 T HA 0.525 4.875 4.350 -0.000 0.000 0.280 8 T C 1.161 175.784 174.700 -0.127 0.000 0.989 8 T CA -0.047 61.965 62.100 -0.146 0.000 0.995 8 T CB 1.567 70.354 68.868 -0.135 0.000 1.077 8 T HN 0.469 nan 8.240 nan 0.000 0.531 9 A N 0.940 123.707 122.820 -0.089 0.000 1.969 9 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 9 A C 1.800 179.345 177.584 -0.065 0.000 1.169 9 A CA 1.511 53.507 52.037 -0.068 0.000 0.635 9 A CB -0.936 18.033 19.000 -0.051 0.000 0.810 9 A HN 0.958 nan 8.150 nan 0.000 0.445 10 D N -1.732 118.627 120.400 -0.068 0.000 2.324 10 D HA 0.014 4.653 4.640 -0.000 0.000 0.235 10 D C 0.565 176.819 176.300 -0.076 0.000 1.095 10 D CA 0.030 53.995 54.000 -0.058 0.000 0.871 10 D CB -0.501 40.273 40.800 -0.042 0.000 0.906 10 D HN 0.450 nan 8.370 nan 0.000 0.522 11 R N -1.023 119.402 120.500 -0.124 0.000 3.762 11 R HA -0.113 4.227 4.340 -0.000 0.000 0.328 11 R C -0.368 175.775 176.300 -0.262 0.000 1.164 11 R CA 0.583 56.579 56.100 -0.174 0.000 0.861 11 R CB -1.635 28.627 30.300 -0.064 0.000 1.408 11 R HN 0.300 nan 8.270 nan 0.000 0.502 12 K N 0.362 120.599 120.400 -0.272 0.000 2.090 12 K HA 0.406 4.725 4.320 -0.000 0.000 0.249 12 K C -0.186 176.103 176.600 -0.519 0.000 0.995 12 K CA -0.510 55.633 56.287 -0.239 0.000 0.914 12 K CB 0.778 33.229 32.500 -0.081 0.000 1.057 12 K HN 0.100 nan 8.250 nan 0.000 0.462 13 H N -0.783 118.272 119.070 -0.025 0.000 2.572 13 H HA 0.373 4.929 4.556 -0.000 0.000 0.359 13 H C -0.801 174.500 175.328 -0.045 0.000 1.134 13 H CA -0.941 55.084 56.048 -0.039 0.000 1.187 13 H CB 1.775 31.517 29.762 -0.033 0.000 1.597 13 H HN 0.339 nan 8.280 nan 0.000 0.524 14 V N 0.942 120.869 119.914 0.023 0.000 2.914 14 V HA 0.620 4.740 4.120 -0.000 0.000 0.314 14 V C -1.149 174.921 176.094 -0.041 0.000 1.084 14 V CA -1.072 61.210 62.300 -0.030 0.000 0.963 14 V CB 1.981 33.737 31.823 -0.113 0.000 1.025 14 V HN 0.555 nan 8.190 nan 0.000 0.432 15 L N 3.713 124.901 121.223 -0.058 0.000 2.333 15 L HA 0.987 5.327 4.340 -0.000 0.000 0.280 15 L C 0.016 176.821 176.870 -0.107 0.000 1.004 15 L CA -0.217 54.582 54.840 -0.068 0.000 0.820 15 L CB 0.983 43.015 42.059 -0.045 0.000 1.247 15 L HN 1.246 nan 8.230 nan 0.000 0.416 16 A N 4.727 127.478 122.820 -0.115 0.000 2.365 16 A HA 1.000 5.320 4.320 -0.000 0.000 0.318 16 A C -1.034 176.505 177.584 -0.075 0.000 1.091 16 A CA -0.724 51.231 52.037 -0.137 0.000 0.763 16 A CB 1.336 20.217 19.000 -0.198 0.000 1.248 16 A HN 0.822 nan 8.150 nan 0.000 0.442 17 R N -0.254 120.223 120.500 -0.039 0.000 2.626 17 R HA 0.669 5.009 4.340 -0.000 0.000 0.274 17 R C -0.483 175.794 176.300 -0.039 0.000 1.031 17 R CA -0.069 56.014 56.100 -0.027 0.000 0.898 17 R CB 0.289 30.580 30.300 -0.015 0.000 1.222 17 R HN 0.672 nan 8.270 nan 0.000 0.455 18 T N -0.489 114.032 114.554 -0.055 0.000 2.874 18 T HA 0.563 4.913 4.350 -0.000 0.000 0.281 18 T C 0.066 174.606 174.700 -0.267 0.000 0.994 18 T CA -0.845 61.184 62.100 -0.118 0.000 1.015 18 T CB 0.962 69.809 68.868 -0.036 0.000 1.028 18 T HN 0.665 nan 8.240 nan 0.000 0.523 19 M N 2.503 121.829 119.600 -0.456 0.000 2.053 19 M HA 0.432 4.912 4.480 -0.000 0.000 0.297 19 M C -2.129 173.979 176.300 -0.321 0.000 0.921 19 M CA -0.780 54.233 55.300 -0.479 0.000 0.918 19 M CB 0.781 32.818 32.600 -0.938 0.000 1.499 19 M HN 0.475 nan 8.290 nan 0.000 0.422 20 D N 4.883 125.164 120.400 -0.198 0.000 2.233 20 D HA 0.618 5.258 4.640 -0.000 0.000 0.240 20 D C -1.350 174.798 176.300 -0.254 0.000 1.074 20 D CA 0.437 54.254 54.000 -0.305 0.000 0.838 20 D CB 1.133 41.825 40.800 -0.180 0.000 1.124 20 D HN 0.517 nan 8.370 nan 0.000 0.475 21 F N -0.012 119.477 119.950 -0.768 0.000 2.741 21 F HA 0.446 4.973 4.527 -0.000 0.000 0.311 21 F C 0.075 175.631 175.800 -0.406 0.000 1.149 21 F CA -0.832 56.884 58.000 -0.475 0.000 0.930 21 F CB 1.383 40.234 39.000 -0.247 0.000 1.312 21 F HN 0.300 nan 8.300 nan 0.000 0.450 22 A N 2.168 124.765 122.820 -0.371 0.000 1.901 22 A HA 0.192 4.512 4.320 -0.000 0.000 0.210 22 A C 0.374 177.979 177.584 0.035 0.000 1.208 22 A CA 0.317 52.283 52.037 -0.117 0.000 0.644 22 A CB -0.552 18.383 19.000 -0.108 0.000 0.863 22 A HN 0.500 nan 8.150 nan 0.000 0.454 23 F N 1.847 121.720 119.950 -0.128 0.000 2.471 23 F HA 0.261 4.788 4.527 -0.000 0.000 0.353 23 F C 0.476 176.376 175.800 0.167 0.000 1.113 23 F CA -0.322 57.721 58.000 0.072 0.000 1.262 23 F CB 0.628 39.712 39.000 0.141 0.000 1.146 23 F HN 0.251 nan 8.300 nan 0.000 0.578 24 Q N 6.754 126.386 119.800 -0.280 0.000 2.296 24 Q HA 0.125 4.465 4.340 -0.000 0.000 0.263 24 Q C 0.691 176.685 176.000 -0.010 0.000 1.026 24 Q CA -0.082 55.645 55.803 -0.127 0.000 0.912 24 Q CB 1.208 29.825 28.738 -0.202 0.000 1.198 24 Q HN 0.842 nan 8.270 nan 0.000 0.407 25 L N 1.429 122.740 121.223 0.146 0.000 2.270 25 L HA 0.069 4.409 4.340 -0.000 0.000 0.210 25 L C 1.293 178.207 176.870 0.074 0.000 1.104 25 L CA 0.564 55.513 54.840 0.182 0.000 0.804 25 L CB -0.140 41.991 42.059 0.119 0.000 0.937 25 L HN 1.023 nan 8.230 nan 0.000 0.450 26 G N 1.481 110.292 108.800 0.018 0.000 2.305 26 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.287 26 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.287 26 G C 0.403 175.259 174.900 -0.073 0.000 1.036 26 G CA 0.474 45.554 45.100 -0.032 0.000 0.887 26 G HN 0.436 nan 8.290 nan 0.000 0.505 27 T N -2.084 112.413 114.554 -0.094 0.000 2.898 27 T HA 0.624 4.974 4.350 -0.000 0.000 0.301 27 T C -0.040 174.500 174.700 -0.266 0.000 1.049 27 T CA -0.082 61.909 62.100 -0.182 0.000 1.095 27 T CB 2.270 71.025 68.868 -0.187 0.000 0.976 27 T HN 0.395 nan 8.240 nan 0.000 0.539 28 E N 0.708 120.739 120.200 -0.283 0.000 2.416 28 E HA 0.447 4.796 4.350 -0.000 0.000 0.273 28 E C -0.894 175.517 176.600 -0.314 0.000 0.935 28 E CA -1.035 55.189 56.400 -0.292 0.000 0.784 28 E CB 2.392 31.993 29.700 -0.166 0.000 1.301 28 E HN 0.464 nan 8.360 nan 0.000 0.454 29 V N 2.163 121.890 119.914 -0.311 0.000 2.555 29 V HA 0.283 4.403 4.120 -0.000 0.000 0.286 29 V C 0.239 176.351 176.094 0.031 0.000 1.044 29 V CA 0.165 62.291 62.300 -0.291 0.000 1.026 29 V CB 0.156 31.754 31.823 -0.376 0.000 0.981 29 V HN 0.443 nan 8.190 nan 0.000 0.480 30 I N 4.708 125.329 120.570 0.085 0.000 2.619 30 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 30 I C -0.551 175.671 176.117 0.177 0.000 1.100 30 I CA -0.579 60.814 61.300 0.155 0.000 1.043 30 I CB 2.243 40.282 38.000 0.066 0.000 1.239 30 I HN 0.399 nan 8.210 nan 0.000 0.420 31 L N 5.911 127.226 121.223 0.154 0.000 2.315 31 L HA 0.299 4.639 4.340 -0.000 0.000 0.283 31 L C -1.298 175.481 176.870 -0.152 0.000 1.089 31 L CA -0.312 54.519 54.840 -0.015 0.000 0.833 31 L CB 0.452 42.550 42.059 0.065 0.000 1.170 31 L HN 0.533 nan 8.230 nan 0.000 0.442 32 Y N 8.052 127.950 120.300 -0.669 0.000 2.367 32 Y HA 0.409 4.959 4.550 -0.000 0.000 0.342 32 Y C -2.020 173.517 175.900 -0.605 0.000 0.979 32 Y CA -2.459 55.175 58.100 -0.775 0.000 1.161 32 Y CB 1.003 38.652 38.460 -1.351 0.000 1.155 32 Y HN 0.453 nan 8.280 nan 0.000 0.503 33 P HA 0.283 nan 4.420 nan 0.000 0.281 33 P C -0.972 176.243 177.300 -0.142 0.000 1.281 33 P CA -0.715 62.237 63.100 -0.247 0.000 0.811 33 P CB 1.281 32.859 31.700 -0.204 0.000 1.154 34 R N 0.154 120.625 120.500 -0.048 0.000 2.679 34 R HA 0.330 4.670 4.340 -0.000 0.000 0.269 34 R C 0.065 176.376 176.300 0.018 0.000 1.076 34 R CA -0.577 55.520 56.100 -0.004 0.000 1.160 34 R CB -0.080 30.221 30.300 0.002 0.000 1.054 34 R HN 0.432 nan 8.270 nan 0.000 0.507 35 R N -0.715 119.800 120.500 0.025 0.000 3.531 35 R HA -0.248 4.092 4.340 -0.000 0.000 0.280 35 R C -1.216 175.123 176.300 0.065 0.000 1.130 35 R CA 0.838 56.955 56.100 0.028 0.000 0.757 35 R CB -2.020 28.280 30.300 0.001 0.000 1.218 35 R HN 0.681 nan 8.270 nan 0.000 0.454 36 Y N -0.113 120.169 120.300 -0.031 0.000 2.330 36 Y HA 0.368 4.918 4.550 -0.000 0.000 0.336 36 Y C 0.068 176.047 175.900 0.132 0.000 1.036 36 Y CA -0.371 57.696 58.100 -0.055 0.000 1.125 36 Y CB 1.547 39.817 38.460 -0.318 0.000 1.194 36 Y HN 0.020 nan 8.280 nan 0.000 0.469 37 S N 7.162 122.607 115.700 -0.425 0.000 2.480 37 S HA 0.450 4.920 4.470 -0.000 0.000 0.286 37 S C -1.314 173.240 174.600 -0.076 0.000 1.180 37 S CA -0.564 57.527 58.200 -0.181 0.000 1.075 37 S CB 0.209 63.272 63.200 -0.228 0.000 0.996 37 S HN 0.689 nan 8.310 nan 0.000 0.487 38 W N 2.093 123.397 121.300 0.007 0.000 3.075 38 W HA 0.534 5.194 4.660 -0.000 0.000 0.334 38 W C -1.722 174.898 176.519 0.168 0.000 1.243 38 W CA -1.203 56.211 57.345 0.114 0.000 1.170 38 W CB 0.339 29.979 29.460 0.300 0.000 1.452 38 W HN 0.418 nan 8.180 nan 0.000 0.572 39 N N 1.263 120.098 118.700 0.225 0.000 2.392 39 N HA 0.293 5.033 4.740 -0.000 0.000 0.283 39 N C -0.513 175.135 175.510 0.230 0.000 1.003 39 N CA -0.386 52.714 53.050 0.082 0.000 0.892 39 N CB 2.081 40.613 38.487 0.075 0.000 1.193 39 N HN 0.434 nan 8.380 nan 0.000 0.487 40 S N 1.163 116.928 115.700 0.109 0.000 2.568 40 S HA 0.030 4.500 4.470 -0.000 0.000 0.282 40 S C 0.192 174.906 174.600 0.191 0.000 1.338 40 S CA -0.342 57.999 58.200 0.235 0.000 1.045 40 S CB 0.298 63.597 63.200 0.166 0.000 0.873 40 S HN 0.407 nan 8.310 nan 0.000 0.516 44 D N -1.993 118.430 120.400 0.040 0.000 2.530 44 D HA 0.396 5.036 4.640 -0.000 0.000 0.253 44 D C 1.126 177.428 176.300 0.004 0.000 1.338 44 D CA 1.122 55.117 54.000 -0.007 0.000 0.806 44 D CB 0.077 40.840 40.800 -0.061 0.000 1.160 44 D HN 1.610 nan 8.370 nan 0.000 0.514 45 G N 0.850 109.670 108.800 0.033 0.000 2.205 45 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.261 45 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.261 45 G C 0.375 175.273 174.900 -0.003 0.000 0.980 45 G CA 0.126 45.241 45.100 0.025 0.000 0.632 45 G HN 0.462 nan 8.290 nan 0.000 0.533 46 R N 0.752 121.239 120.500 -0.022 0.000 2.694 46 R HA 0.525 4.865 4.340 -0.000 0.000 0.268 46 R C 0.770 176.980 176.300 -0.149 0.000 1.061 46 R CA 0.317 56.360 56.100 -0.095 0.000 1.133 46 R CB 0.483 30.704 30.300 -0.130 0.000 1.020 46 R HN 0.545 nan 8.270 nan 0.000 0.475 47 A N 2.252 124.939 122.820 -0.223 0.000 2.327 47 A HA 0.379 4.699 4.320 -0.000 0.000 0.283 47 A C -0.851 176.455 177.584 -0.464 0.000 1.127 47 A CA -0.405 51.481 52.037 -0.251 0.000 0.810 47 A CB 0.371 19.261 19.000 -0.182 0.000 1.066 47 A HN 0.740 nan 8.150 nan 0.000 0.492 48 H N -0.210 118.471 119.070 -0.647 0.000 2.834 48 H HA 0.654 5.210 4.556 -0.000 0.000 0.369 48 H C -0.610 174.492 175.328 -0.376 0.000 1.174 48 H CA -0.472 55.222 56.048 -0.589 0.000 1.165 48 H CB 1.427 30.628 29.762 -0.935 0.000 1.820 48 H HN 0.678 nan 8.280 nan 0.000 0.558 49 Q N 1.373 121.184 119.800 0.019 0.000 2.292 49 Q HA 0.315 4.655 4.340 -0.000 0.000 0.270 49 Q C -0.885 175.229 176.000 0.190 0.000 1.024 49 Q CA -0.980 54.878 55.803 0.092 0.000 0.768 49 Q CB 1.396 30.132 28.738 -0.003 0.000 1.250 49 Q HN 0.884 nan 8.270 nan 0.000 0.447 50 T N 0.143 114.877 114.554 0.300 0.000 2.919 50 T HA 0.060 4.410 4.350 -0.000 0.000 0.302 50 T C 0.601 175.333 174.700 0.052 0.000 1.031 50 T CA -0.181 62.082 62.100 0.272 0.000 1.127 50 T CB 1.667 70.733 68.868 0.329 0.000 0.952 50 T HN 0.807 nan 8.240 nan 0.000 0.540 51 Q N 1.389 121.132 119.800 -0.095 0.000 2.387 51 Q HA 0.130 4.470 4.340 -0.000 0.000 0.208 51 Q C -0.646 175.064 176.000 -0.483 0.000 0.935 51 Q CA 0.084 55.655 55.803 -0.387 0.000 0.891 51 Q CB 0.403 28.751 28.738 -0.650 0.000 1.007 51 Q HN 0.802 nan 8.270 nan 0.000 0.548 52 Y N 0.424 120.760 120.300 0.059 0.000 2.342 52 Y HA 0.609 5.158 4.550 -0.000 0.000 0.334 52 Y C 0.122 176.090 175.900 0.114 0.000 1.067 52 Y CA -0.999 57.141 58.100 0.067 0.000 1.128 52 Y CB 1.305 39.783 38.460 0.030 0.000 1.200 52 Y HN 0.136 nan 8.280 nan 0.000 0.464 53 A N 3.771 126.716 122.820 0.207 0.000 2.304 53 A HA 0.772 5.092 4.320 -0.000 0.000 0.271 53 A C -0.822 176.827 177.584 0.107 0.000 1.091 53 A CA -0.130 51.940 52.037 0.054 0.000 0.812 53 A CB -0.024 18.964 19.000 -0.020 0.000 1.056 53 A HN 0.741 nan 8.150 nan 0.000 0.489 54 F N -1.155 118.738 119.950 -0.095 0.000 2.779 54 F HA 0.747 5.274 4.527 -0.000 0.000 0.316 54 F C -1.031 174.646 175.800 -0.206 0.000 1.164 54 F CA -1.423 56.466 58.000 -0.185 0.000 0.924 54 F CB 1.039 39.896 39.000 -0.239 0.000 1.348 54 F HN 0.645 nan 8.300 nan 0.000 0.467 55 I N -0.384 120.208 120.570 0.037 0.000 2.647 55 I HA 1.064 5.233 4.170 -0.000 0.000 0.295 55 I C -0.415 175.708 176.117 0.009 0.000 1.078 55 I CA -1.008 60.257 61.300 -0.059 0.000 1.048 55 I CB 1.826 39.731 38.000 -0.160 0.000 1.239 55 I HN 1.147 nan 8.210 nan 0.000 0.421 56 G N 4.814 113.574 108.800 -0.067 0.000 2.495 56 G HA2 0.376 4.336 3.960 -0.000 0.000 0.294 56 G HA3 0.376 4.336 3.960 -0.000 0.000 0.294 56 G C -1.252 173.613 174.900 -0.059 0.000 1.397 56 G CA -1.010 44.010 45.100 -0.133 0.000 0.790 56 G HN 0.445 nan 8.290 nan 0.000 0.486 57 M N 1.184 120.720 119.600 -0.107 0.000 2.227 57 M HA 0.437 4.917 4.480 -0.000 0.000 0.349 57 M C 0.660 176.905 176.300 -0.091 0.000 1.443 57 M CA 0.203 55.372 55.300 -0.219 0.000 1.110 57 M CB 0.100 32.483 32.600 -0.361 0.000 1.773 57 M HN 0.818 nan 8.290 nan 0.000 0.463 58 G N 3.454 112.077 108.800 -0.294 0.000 2.694 58 G HA2 0.751 4.711 3.960 -0.000 0.000 0.290 58 G HA3 0.751 4.711 3.960 -0.000 0.000 0.290 58 G C -1.506 173.149 174.900 -0.408 0.000 1.386 58 G CA -0.751 43.997 45.100 -0.586 0.000 0.872 58 G HN 0.635 nan 8.290 nan 0.000 0.475 59 R N 0.440 120.699 120.500 -0.401 0.000 2.564 59 R HA 0.343 4.683 4.340 -0.000 0.000 0.284 59 R C -0.776 175.397 176.300 -0.212 0.000 1.031 59 R CA -0.800 55.158 56.100 -0.237 0.000 0.904 59 R CB 1.773 31.993 30.300 -0.133 0.000 1.199 59 R HN 0.437 nan 8.270 nan 0.000 0.443 60 K N 5.020 125.332 120.400 -0.147 0.000 2.363 60 K HA 0.132 4.452 4.320 -0.000 0.000 0.289 60 K C -0.765 175.812 176.600 -0.039 0.000 1.063 60 K CA 0.290 56.527 56.287 -0.082 0.000 0.967 60 K CB 0.298 32.768 32.500 -0.049 0.000 0.987 60 K HN 0.509 nan 8.250 nan 0.000 0.473 61 L N 4.645 125.856 121.223 -0.021 0.000 2.551 61 L HA 0.214 4.554 4.340 -0.000 0.000 0.248 61 L C 0.637 177.531 176.870 0.039 0.000 1.509 61 L CA -0.358 54.485 54.840 0.004 0.000 0.842 61 L CB 1.046 43.096 42.059 -0.016 0.000 1.087 61 L HN 1.102 nan 8.230 nan 0.000 0.512 62 G N 1.231 110.064 108.800 0.055 0.000 2.779 62 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.284 62 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.284 62 G C 0.168 175.136 174.900 0.114 0.000 1.326 62 G CA -0.169 44.985 45.100 0.090 0.000 0.983 62 G HN 0.444 nan 8.290 nan 0.000 0.555 63 N N 1.170 119.960 118.700 0.150 0.000 2.399 63 N HA 0.515 5.255 4.740 -0.000 0.000 0.250 63 N C 0.908 176.444 175.510 0.044 0.000 1.272 63 N CA 0.182 53.331 53.050 0.164 0.000 0.928 63 N CB 0.347 38.961 38.487 0.212 0.000 1.158 63 N HN 0.597 nan 8.380 nan 0.000 0.463 67 F N 0.762 120.683 119.950 -0.049 0.000 2.443 67 F HA 0.652 5.179 4.527 -0.000 0.000 0.335 67 F C 1.121 176.956 175.800 0.058 0.000 1.104 67 F CA -0.243 57.750 58.000 -0.013 0.000 1.013 67 F CB 2.135 41.120 39.000 -0.026 0.000 1.136 67 F HN 0.627 nan 8.300 nan 0.000 0.470 68 A N 1.522 124.494 122.820 0.253 0.000 2.147 68 A HA 0.273 4.593 4.320 -0.000 0.000 0.211 68 A C -0.431 177.322 177.584 0.282 0.000 1.160 68 A CA 0.924 53.108 52.037 0.245 0.000 0.781 68 A CB -0.629 18.513 19.000 0.238 0.000 0.842 68 A HN 0.839 nan 8.150 nan 0.000 0.475 69 D N -5.067 115.513 120.400 0.299 0.000 2.769 69 D HA 0.522 5.162 4.640 -0.000 0.000 0.309 69 D C -0.294 176.120 176.300 0.189 0.000 1.315 69 D CA 0.161 54.306 54.000 0.242 0.000 0.780 69 D CB 0.169 41.147 40.800 0.296 0.000 1.312 69 D HN 0.750 nan 8.370 nan 0.000 0.437 70 G N -1.466 107.409 108.800 0.124 0.000 2.325 70 G HA2 0.492 4.452 3.960 -0.000 0.000 0.297 70 G HA3 0.492 4.452 3.960 -0.000 0.000 0.297 70 G C -2.246 172.666 174.900 0.020 0.000 1.448 70 G CA -0.526 44.627 45.100 0.089 0.000 0.838 70 G HN 0.926 nan 8.290 nan 0.000 0.579 71 I N 0.900 121.514 120.570 0.073 0.000 2.466 71 I HA 0.629 4.799 4.170 -0.000 0.000 0.289 71 I C -0.458 175.660 176.117 0.000 0.000 1.026 71 I CA -1.294 60.017 61.300 0.018 0.000 1.078 71 I CB 1.668 39.701 38.000 0.054 0.000 1.249 71 I HN 0.801 nan 8.210 nan 0.000 0.429 72 N N 4.832 123.506 118.700 -0.043 0.000 2.502 72 N HA 0.244 4.984 4.740 -0.000 0.000 0.280 72 N C 0.435 175.916 175.510 -0.048 0.000 1.223 72 N CA 0.011 53.062 53.050 0.002 0.000 0.966 72 N CB 0.320 38.815 38.487 0.013 0.000 1.203 72 N HN 0.677 nan 8.380 nan 0.000 0.565 73 E N -1.641 118.556 120.200 -0.005 0.000 2.401 73 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 73 E C 0.224 176.948 176.600 0.207 0.000 1.023 73 E CA 1.200 57.666 56.400 0.110 0.000 0.859 73 E CB -0.232 29.608 29.700 0.234 0.000 0.780 73 E HN 0.569 nan 8.360 nan 0.000 0.523 74 S N -0.999 114.698 115.700 -0.005 0.000 2.663 74 S HA 0.457 4.927 4.470 -0.000 0.000 0.243 74 S C 1.250 175.816 174.600 -0.057 0.000 1.009 74 S CA -0.067 58.098 58.200 -0.059 0.000 0.988 74 S CB 0.653 63.713 63.200 -0.233 0.000 0.896 74 S HN 0.557 nan 8.310 nan 0.000 0.502 75 G N 1.131 109.922 108.800 -0.015 0.000 2.159 75 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.227 75 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.227 75 G C -0.169 174.694 174.900 -0.062 0.000 0.986 75 G CA 0.042 45.136 45.100 -0.010 0.000 0.651 75 G HN 0.587 nan 8.290 nan 0.000 0.523 76 L N 1.643 122.801 121.223 -0.109 0.000 2.331 76 L HA 0.695 5.035 4.340 -0.000 0.000 0.278 76 L C 0.156 176.958 176.870 -0.113 0.000 1.106 76 L CA 0.154 54.918 54.840 -0.127 0.000 0.824 76 L CB 1.467 43.417 42.059 -0.182 0.000 1.142 76 L HN 0.248 nan 8.230 nan 0.000 0.443 77 S N 4.358 120.004 115.700 -0.089 0.000 2.542 77 S HA 0.622 5.091 4.470 -0.000 0.000 0.293 77 S C -1.150 173.418 174.600 -0.055 0.000 1.089 77 S CA -0.503 57.658 58.200 -0.065 0.000 0.961 77 S CB 1.616 64.797 63.200 -0.033 0.000 1.062 77 S HN 0.824 nan 8.310 nan 0.000 0.483 78 C N 3.107 122.387 119.300 -0.034 0.000 2.985 78 C HA 0.925 5.385 4.460 -0.000 0.000 0.314 78 C C -1.036 174.014 174.990 0.099 0.000 1.215 78 C CA 0.083 59.120 59.018 0.031 0.000 1.414 78 C CB 0.660 28.395 27.740 -0.007 0.000 1.842 78 C HN 1.222 nan 8.230 nan 0.000 0.477 79 A N 2.928 125.846 122.820 0.164 0.000 2.427 79 A HA 0.892 5.212 4.320 -0.000 0.000 0.298 79 A C -0.670 177.055 177.584 0.235 0.000 1.036 79 A CA 0.151 52.294 52.037 0.176 0.000 0.701 79 A CB 1.260 20.314 19.000 0.091 0.000 1.250 79 A HN 2.107 nan 8.150 nan 0.000 0.412 80 A N 2.007 124.982 122.820 0.258 0.000 2.276 80 A HA 0.728 5.048 4.320 -0.000 0.000 0.316 80 A C -0.924 176.673 177.584 0.022 0.000 1.229 80 A CA -0.210 51.904 52.037 0.128 0.000 0.851 80 A CB 0.095 19.282 19.000 0.312 0.000 1.165 80 A HN 0.772 nan 8.150 nan 0.000 0.513 81 L N 1.612 122.799 121.223 -0.060 0.000 2.341 81 L HA 0.417 4.757 4.340 -0.000 0.000 0.267 81 L C -0.258 176.735 176.870 0.204 0.000 1.009 81 L CA -0.569 54.328 54.840 0.094 0.000 0.819 81 L CB 0.955 43.075 42.059 0.102 0.000 1.323 81 L HN 0.649 nan 8.230 nan 0.000 0.425 82 Y N 1.416 121.774 120.300 0.097 0.000 2.578 82 Y HA 0.088 4.638 4.550 -0.000 0.000 0.339 82 Y C 0.064 176.045 175.900 0.135 0.000 1.231 82 Y CA 0.752 58.926 58.100 0.124 0.000 1.461 82 Y CB 0.387 38.965 38.460 0.196 0.000 1.323 82 Y HN 0.395 nan 8.280 nan 0.000 0.590 83 F N 6.366 126.149 119.950 -0.279 0.000 2.541 83 F HA 0.395 4.922 4.527 -0.000 0.000 0.368 83 F C -2.691 172.973 175.800 -0.227 0.000 1.530 83 F CA -2.937 54.824 58.000 -0.398 0.000 1.102 83 F CB 0.134 38.765 39.000 -0.614 0.000 1.382 83 F HN 0.233 nan 8.300 nan 0.000 0.541 84 P HA 0.252 nan 4.420 nan 0.000 0.274 84 P C 0.932 178.149 177.300 -0.140 0.000 1.231 84 P CA 1.153 64.184 63.100 -0.115 0.000 0.790 84 P CB 1.200 32.952 31.700 0.086 0.000 0.951 85 G N 1.127 109.829 108.800 -0.163 0.000 2.300 85 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.267 85 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.267 85 G C 0.751 175.389 174.900 -0.438 0.000 0.980 85 G CA 0.765 45.719 45.100 -0.245 0.000 0.635 85 G HN 0.564 nan 8.290 nan 0.000 0.552 86 Y N 0.663 120.556 120.300 -0.678 0.000 2.498 86 Y HA 0.601 5.150 4.550 -0.000 0.000 0.259 86 Y C 2.108 177.615 175.900 -0.656 0.000 1.086 86 Y CA 0.257 57.855 58.100 -0.837 0.000 1.287 86 Y CB 0.478 38.068 38.460 -1.451 0.000 1.146 86 Y HN 0.486 nan 8.280 nan 0.000 0.523 87 A N 0.962 123.513 122.820 -0.448 0.000 2.450 87 A HA 0.388 4.708 4.320 -0.000 0.000 0.255 87 A C -0.527 176.787 177.584 -0.450 0.000 1.096 87 A CA 0.180 52.061 52.037 -0.259 0.000 0.778 87 A CB 0.058 18.945 19.000 -0.187 0.000 1.031 87 A HN 0.229 nan 8.150 nan 0.000 0.494 88 E N 0.966 120.839 120.200 -0.546 0.000 2.274 88 E HA 0.556 4.906 4.350 -0.000 0.000 0.269 88 E C -1.714 174.557 176.600 -0.548 0.000 0.891 88 E CA -0.249 55.891 56.400 -0.433 0.000 0.784 88 E CB 0.944 30.524 29.700 -0.200 0.000 1.225 88 E HN 0.521 nan 8.360 nan 0.000 0.412 89 Y N 0.516 120.847 120.300 0.051 0.000 2.534 89 Y HA 0.464 5.014 4.550 -0.000 0.000 0.329 89 Y C 0.551 176.478 175.900 0.045 0.000 1.154 89 Y CA -1.252 56.883 58.100 0.059 0.000 1.192 89 Y CB 0.766 39.267 38.460 0.069 0.000 1.275 89 Y HN 0.336 nan 8.280 nan 0.000 0.491 90 E N 1.422 121.761 120.200 0.233 0.000 2.351 90 E HA 0.042 4.392 4.350 -0.000 0.000 0.266 90 E C 0.277 176.960 176.600 0.139 0.000 1.031 90 E CA 0.169 56.656 56.400 0.146 0.000 0.911 90 E CB 0.494 30.265 29.700 0.119 0.000 0.986 90 E HN 0.510 nan 8.360 nan 0.000 0.446 91 K N 2.417 122.878 120.400 0.102 0.000 2.137 91 K HA -0.011 4.308 4.320 -0.000 0.000 0.202 91 K C 0.751 177.393 176.600 0.070 0.000 1.052 91 K CA 0.540 56.877 56.287 0.083 0.000 0.961 91 K CB -0.002 32.534 32.500 0.060 0.000 0.741 91 K HN 0.402 nan 8.250 nan 0.000 0.452 92 T N 2.334 116.929 114.554 0.069 0.000 2.767 92 T HA 0.347 4.697 4.350 -0.000 0.000 0.288 92 T C -0.137 174.616 174.700 0.088 0.000 0.963 92 T CA -0.912 61.224 62.100 0.059 0.000 1.019 92 T CB 0.265 69.160 68.868 0.045 0.000 0.923 92 T HN 0.190 nan 8.240 nan 0.000 0.468 93 I N 4.817 125.421 120.570 0.056 0.000 2.578 93 I HA 0.309 4.479 4.170 -0.000 0.000 0.286 93 I C 0.915 177.116 176.117 0.140 0.000 1.126 93 I CA -0.120 61.219 61.300 0.065 0.000 1.380 93 I CB 0.188 38.060 38.000 -0.213 0.000 1.408 93 I HN 0.599 nan 8.210 nan 0.000 0.532 94 R N 4.143 124.833 120.500 0.316 0.000 3.372 94 R HA 0.186 4.526 4.340 -0.000 0.000 0.245 94 R C 0.206 176.635 176.300 0.214 0.000 1.061 94 R CA 0.331 56.553 56.100 0.203 0.000 1.113 94 R CB 0.201 30.575 30.300 0.123 0.000 0.921 94 R HN 0.873 nan 8.270 nan 0.000 0.485 95 E N -0.315 119.976 120.200 0.152 0.000 2.430 95 E HA 0.119 4.469 4.350 -0.000 0.000 0.279 95 E C -1.004 175.646 176.600 0.082 0.000 1.003 95 E CA -0.645 55.837 56.400 0.136 0.000 0.801 95 E CB 0.999 30.738 29.700 0.066 0.000 1.313 95 E HN 0.524 nan 8.360 nan 0.000 0.459 96 D N -0.564 119.877 120.400 0.067 0.000 3.041 96 D HA -0.127 4.513 4.640 -0.000 0.000 0.220 96 D C -0.714 175.601 176.300 0.025 0.000 1.157 96 D CA 2.054 56.077 54.000 0.038 0.000 0.876 96 D CB -1.435 39.380 40.800 0.025 0.000 1.107 96 D HN 0.780 nan 8.370 nan 0.000 0.422 97 T N -4.103 110.469 114.554 0.031 0.000 2.906 97 T HA 0.682 5.032 4.350 -0.000 0.000 0.295 97 T C 0.078 174.753 174.700 -0.042 0.000 1.061 97 T CA -0.932 61.129 62.100 -0.065 0.000 1.000 97 T CB 2.149 70.886 68.868 -0.217 0.000 1.103 97 T HN -0.109 nan 8.240 nan 0.000 0.486 98 V N 3.389 123.259 119.914 -0.074 0.000 2.637 98 V HA 0.251 4.371 4.120 -0.000 0.000 0.296 98 V C 0.316 176.294 176.094 -0.192 0.000 1.046 98 V CA -0.267 62.022 62.300 -0.018 0.000 1.066 98 V CB 0.043 31.895 31.823 0.048 0.000 0.968 98 V HN 0.851 nan 8.190 nan 0.000 0.483 99 H N 5.291 124.361 119.070 -0.001 0.000 2.481 99 H HA 0.631 5.187 4.556 -0.000 0.000 0.333 99 H C -0.203 175.116 175.328 -0.014 0.000 1.066 99 H CA -0.282 55.753 56.048 -0.022 0.000 1.209 99 H CB 2.035 31.796 29.762 -0.002 0.000 1.445 99 H HN 0.678 nan 8.280 nan 0.000 0.488 100 I N -0.215 120.346 120.570 -0.014 0.000 3.145 100 I HA 0.591 4.761 4.170 -0.000 0.000 0.313 100 I C 0.015 176.100 176.117 -0.054 0.000 1.122 100 I CA -1.357 59.939 61.300 -0.008 0.000 0.987 100 I CB 2.023 39.986 38.000 -0.062 0.000 1.236 100 I HN 0.256 nan 8.210 nan 0.000 0.453 101 V N -0.586 119.261 119.914 -0.113 0.000 2.997 101 V HA 0.535 4.654 4.120 -0.000 0.000 0.311 101 V C -2.094 173.818 176.094 -0.302 0.000 1.066 101 V CA -1.339 60.816 62.300 -0.241 0.000 1.039 101 V CB 0.662 32.313 31.823 -0.287 0.000 1.081 101 V HN 0.729 nan 8.190 nan 0.000 0.467 102 P HA -0.165 nan 4.420 nan 0.000 0.215 102 P C 1.306 178.692 177.300 0.142 0.000 1.157 102 P CA 2.099 65.135 63.100 -0.107 0.000 0.868 102 P CB -0.337 31.195 31.700 -0.280 0.000 0.788 103 H N -0.999 118.139 119.070 0.112 0.000 2.568 103 H HA 0.128 4.684 4.556 -0.000 0.000 0.275 103 H C 0.720 176.121 175.328 0.121 0.000 1.028 103 H CA 0.668 56.802 56.048 0.143 0.000 1.173 103 H CB -0.718 29.089 29.762 0.075 0.000 1.335 103 H HN 0.296 nan 8.280 nan 0.000 0.614 104 E N -0.283 119.876 120.200 -0.069 0.000 2.489 104 E HA 0.036 4.386 4.350 -0.000 0.000 0.204 104 E C 1.023 177.634 176.600 0.019 0.000 1.006 104 E CA -0.364 56.000 56.400 -0.059 0.000 0.936 104 E CB 0.075 29.741 29.700 -0.056 0.000 1.002 104 E HN 0.306 nan 8.360 nan 0.000 0.488 105 F N 1.405 121.301 119.950 -0.090 0.000 2.134 105 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 105 F C 1.923 177.620 175.800 -0.172 0.000 1.097 105 F CA 1.173 59.038 58.000 -0.224 0.000 1.264 105 F CB -0.014 38.563 39.000 -0.704 0.000 1.001 105 F HN -0.193 nan 8.300 nan 0.000 0.479 106 V N 0.028 119.955 119.914 0.022 0.000 2.255 106 V HA -0.366 3.754 4.120 -0.000 0.000 0.247 106 V C 2.358 178.196 176.094 -0.426 0.000 1.051 106 V CA 2.525 64.736 62.300 -0.149 0.000 1.018 106 V CB -1.266 30.587 31.823 0.050 0.000 0.641 106 V HN 0.427 nan 8.190 nan 0.000 0.445 107 T N -1.279 113.092 114.554 -0.306 0.000 2.665 107 T HA -0.306 4.044 4.350 -0.000 0.000 0.268 107 T C 1.363 175.875 174.700 -0.315 0.000 1.035 107 T CA 2.300 64.159 62.100 -0.401 0.000 1.151 107 T CB -0.420 68.151 68.868 -0.495 0.000 0.862 107 T HN 0.728 nan 8.240 nan 0.000 0.438 108 W N 1.137 122.198 121.300 -0.398 0.000 2.353 108 W HA -0.133 4.527 4.660 -0.000 0.000 0.319 108 W C 2.365 178.684 176.519 -0.333 0.000 1.207 108 W CA 1.003 58.208 57.345 -0.233 0.000 1.291 108 W CB -0.909 28.410 29.460 -0.236 0.000 1.159 108 W HN 0.010 nan 8.180 nan 0.000 0.478 109 V N 0.914 120.440 119.914 -0.647 0.000 2.427 109 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 109 V C 2.118 177.795 176.094 -0.695 0.000 1.051 109 V CA 1.814 63.558 62.300 -0.926 0.000 1.048 109 V CB -0.663 30.641 31.823 -0.864 0.000 0.666 109 V HN 0.205 nan 8.190 nan 0.000 0.456 110 L N 0.794 121.616 121.223 -0.667 0.000 2.217 110 L HA -0.000 4.340 4.340 -0.000 0.000 0.211 110 L C 2.659 179.354 176.870 -0.292 0.000 1.107 110 L CA 2.267 56.723 54.840 -0.641 0.000 0.783 110 L CB -0.927 40.359 42.059 -1.288 0.000 0.919 110 L HN 0.656 nan 8.230 nan 0.000 0.442 111 S N -3.106 112.467 115.700 -0.212 0.000 2.503 111 S HA 0.047 4.517 4.470 -0.000 0.000 0.217 111 S C 1.528 176.144 174.600 0.026 0.000 0.999 111 S CA 0.470 58.743 58.200 0.123 0.000 0.914 111 S CB 0.190 63.560 63.200 0.283 0.000 0.782 111 S HN 0.116 nan 8.310 nan 0.000 0.520 112 V N 0.226 120.022 119.914 -0.197 0.000 3.539 112 V HA 0.332 4.452 4.120 -0.000 0.000 0.262 112 V C 0.312 176.335 176.094 -0.118 0.000 1.381 112 V CA -0.006 62.139 62.300 -0.259 0.000 1.060 112 V CB 0.530 31.971 31.823 -0.636 0.000 0.842 112 V HN 0.561 nan 8.190 nan 0.000 0.445 113 C N 0.855 120.033 119.300 -0.203 0.000 2.435 113 C HA 0.419 4.879 4.460 -0.000 0.000 0.333 113 C C 1.364 176.201 174.990 -0.255 0.000 1.202 113 C CA -0.447 58.461 59.018 -0.183 0.000 1.830 113 C CB 1.459 29.000 27.740 -0.332 0.000 2.326 113 C HN 0.657 nan 8.230 nan 0.000 0.507 114 Q N 0.961 120.575 119.800 -0.311 0.000 2.217 114 Q HA 0.297 4.637 4.340 -0.000 0.000 0.217 114 Q C 0.233 176.060 176.000 -0.288 0.000 0.844 114 Q CA 0.225 55.720 55.803 -0.513 0.000 0.957 114 Q CB 0.477 28.841 28.738 -0.622 0.000 1.127 114 Q HN 0.807 nan 8.270 nan 0.000 0.503 115 S N -1.505 114.078 115.700 -0.195 0.000 2.636 115 S HA 0.310 4.780 4.470 -0.000 0.000 0.266 115 S C 0.283 174.821 174.600 -0.103 0.000 1.147 115 S CA -0.883 57.235 58.200 -0.137 0.000 0.815 115 S CB 0.170 63.305 63.200 -0.108 0.000 1.119 115 S HN 0.106 nan 8.310 nan 0.000 0.470 116 L N 0.915 122.090 121.223 -0.080 0.000 2.017 116 L HA -0.051 4.288 4.340 -0.000 0.000 0.208 116 L C 2.649 179.500 176.870 -0.032 0.000 1.073 116 L CA 1.483 56.292 54.840 -0.051 0.000 0.745 116 L CB -0.708 41.322 42.059 -0.049 0.000 0.894 116 L HN 0.711 nan 8.230 nan 0.000 0.432 117 E N 0.242 120.422 120.200 -0.034 0.000 2.049 117 E HA -0.278 4.072 4.350 -0.000 0.000 0.198 117 E C 1.772 178.366 176.600 -0.011 0.000 1.007 117 E CA 1.545 57.934 56.400 -0.019 0.000 0.809 117 E CB -0.467 29.221 29.700 -0.020 0.000 0.749 117 E HN 0.382 nan 8.360 nan 0.000 0.450 118 D N 0.177 120.560 120.400 -0.027 0.000 2.126 118 D HA -0.146 4.494 4.640 -0.000 0.000 0.190 118 D C 2.017 178.312 176.300 -0.009 0.000 1.001 118 D CA 1.191 55.176 54.000 -0.025 0.000 0.841 118 D CB -0.100 40.664 40.800 -0.060 0.000 0.949 118 D HN -0.020 nan 8.370 nan 0.000 0.446 119 V N 0.378 120.280 119.914 -0.020 0.000 2.332 119 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 119 V C 2.355 178.508 176.094 0.098 0.000 1.055 119 V CA 1.670 63.992 62.300 0.037 0.000 1.038 119 V CB -0.366 31.476 31.823 0.033 0.000 0.651 119 V HN 0.231 nan 8.190 nan 0.000 0.450 120 K N -0.460 119.973 120.400 0.055 0.000 2.283 120 K HA -0.191 4.129 4.320 -0.000 0.000 0.202 120 K C 2.177 178.813 176.600 0.060 0.000 1.048 120 K CA 1.390 57.709 56.287 0.052 0.000 0.948 120 K CB -0.003 32.512 32.500 0.024 0.000 0.742 120 K HN 0.636 nan 8.250 nan 0.000 0.458 121 E N 1.122 121.359 120.200 0.062 0.000 2.132 121 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 121 E C 1.390 178.048 176.600 0.097 0.000 0.951 121 E CA 0.446 56.883 56.400 0.062 0.000 0.843 121 E CB 0.295 30.020 29.700 0.043 0.000 0.807 121 E HN 0.093 nan 8.360 nan 0.000 0.467 122 K N 0.765 121.247 120.400 0.138 0.000 2.148 122 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 122 K C 2.232 179.009 176.600 0.296 0.000 1.050 122 K CA 0.763 57.188 56.287 0.229 0.000 0.942 122 K CB -0.102 32.557 32.500 0.265 0.000 0.724 122 K HN 0.253 nan 8.250 nan 0.000 0.446 123 I N 1.395 122.139 120.570 0.289 0.000 2.567 123 I HA -0.260 3.910 4.170 -0.000 0.000 0.257 123 I C 1.980 178.132 176.117 0.058 0.000 1.184 123 I CA 0.954 62.361 61.300 0.179 0.000 1.451 123 I CB 0.033 38.151 38.000 0.197 0.000 1.089 123 I HN 0.134 nan 8.210 nan 0.000 0.441 124 R N 0.289 120.828 120.500 0.065 0.000 2.120 124 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 124 R C 1.530 177.836 176.300 0.010 0.000 1.123 124 R CA 1.571 57.689 56.100 0.030 0.000 0.975 124 R CB -0.168 30.152 30.300 0.034 0.000 0.866 124 R HN 0.360 nan 8.270 nan 0.000 0.446 125 S N 0.129 115.842 115.700 0.022 0.000 2.526 125 S HA 0.240 4.710 4.470 -0.000 0.000 0.247 125 S C -0.161 174.398 174.600 -0.068 0.000 1.076 125 S CA -0.618 57.578 58.200 -0.007 0.000 1.105 125 S CB 0.018 63.234 63.200 0.028 0.000 0.793 125 S HN 0.042 nan 8.310 nan 0.000 0.458 126 L N 0.895 122.037 121.223 -0.135 0.000 2.333 126 L HA 0.772 5.112 4.340 -0.000 0.000 0.269 126 L C -0.853 175.851 176.870 -0.277 0.000 1.010 126 L CA 0.127 54.790 54.840 -0.296 0.000 0.818 126 L CB 2.277 44.006 42.059 -0.550 0.000 1.306 126 L HN 0.085 nan 8.230 nan 0.000 0.430 127 T N 4.964 119.306 114.554 -0.353 0.000 2.937 127 T HA 0.561 4.911 4.350 -0.000 0.000 0.297 127 T C -0.625 173.961 174.700 -0.190 0.000 0.991 127 T CA -0.159 61.770 62.100 -0.283 0.000 0.990 127 T CB 0.726 69.291 68.868 -0.504 0.000 0.991 127 T HN 0.406 nan 8.240 nan 0.000 0.440 128 I N 3.959 124.498 120.570 -0.051 0.000 2.336 128 I HA 0.561 4.731 4.170 -0.000 0.000 0.292 128 I C 0.354 176.515 176.117 0.073 0.000 0.991 128 I CA -1.054 60.244 61.300 -0.004 0.000 1.227 128 I CB 1.422 39.474 38.000 0.087 0.000 1.366 128 I HN 0.363 nan 8.210 nan 0.000 0.466 129 V N 2.603 122.526 119.914 0.016 0.000 2.881 129 V HA 0.488 4.608 4.120 -0.000 0.000 0.316 129 V C -0.098 175.989 176.094 -0.011 0.000 1.070 129 V CA -0.810 61.533 62.300 0.073 0.000 0.976 129 V CB 1.834 33.727 31.823 0.118 0.000 1.038 129 V HN 0.869 nan 8.190 nan 0.000 0.446 130 E N 2.331 122.586 120.200 0.092 0.000 2.104 130 E HA 0.392 4.742 4.350 -0.000 0.000 0.278 130 E C -0.572 176.054 176.600 0.044 0.000 1.127 130 E CA -0.254 56.205 56.400 0.099 0.000 0.897 130 E CB 0.473 30.285 29.700 0.186 0.000 1.043 130 E HN 0.736 nan 8.360 nan 0.000 0.410 131 K N 3.697 124.102 120.400 0.007 0.000 2.543 131 K HA 0.279 4.599 4.320 -0.000 0.000 0.255 131 K C -1.173 175.486 176.600 0.098 0.000 0.934 131 K CA -0.747 55.572 56.287 0.053 0.000 0.810 131 K CB 1.288 33.816 32.500 0.047 0.000 1.315 131 K HN 0.273 nan 8.250 nan 0.000 0.433 132 K N 1.674 122.128 120.400 0.091 0.000 2.149 132 K HA 0.256 4.576 4.320 -0.000 0.000 0.245 132 K C -0.550 176.089 176.600 0.065 0.000 1.024 132 K CA -0.669 55.661 56.287 0.072 0.000 0.899 132 K CB 0.386 32.908 32.500 0.037 0.000 1.038 132 K HN 0.372 nan 8.250 nan 0.000 0.496 133 L N 2.103 123.284 121.223 -0.071 0.000 2.276 133 L HA 0.159 4.499 4.340 -0.000 0.000 0.286 133 L C 0.165 176.958 176.870 -0.129 0.000 1.024 133 L CA -0.035 54.646 54.840 -0.265 0.000 0.826 133 L CB 0.973 42.763 42.059 -0.449 0.000 1.211 133 L HN 0.518 nan 8.230 nan 0.000 0.422 134 D N 3.488 123.843 120.400 -0.076 0.000 2.116 134 D HA -0.252 4.388 4.640 -0.000 0.000 0.193 134 D C 1.960 178.229 176.300 -0.052 0.000 0.998 134 D CA 1.556 55.535 54.000 -0.035 0.000 0.836 134 D CB 0.007 40.806 40.800 -0.002 0.000 0.951 134 D HN 0.600 nan 8.370 nan 0.000 0.449 135 L N 0.091 121.271 121.223 -0.071 0.000 2.137 135 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 135 L C 1.862 178.643 176.870 -0.148 0.000 1.085 135 L CA 1.231 56.030 54.840 -0.068 0.000 0.760 135 L CB -0.042 41.979 42.059 -0.064 0.000 0.893 135 L HN 0.104 nan 8.230 nan 0.000 0.434 136 L N -1.641 119.477 121.223 -0.175 0.000 2.638 136 L HA 0.071 4.411 4.340 -0.000 0.000 0.232 136 L C 0.594 177.412 176.870 -0.087 0.000 1.099 136 L CA 0.067 54.788 54.840 -0.198 0.000 0.883 136 L CB 0.126 42.071 42.059 -0.191 0.000 1.136 136 L HN 0.177 nan 8.230 nan 0.000 0.492 137 D N 0.897 121.264 120.400 -0.055 0.000 2.751 137 D HA -0.210 4.430 4.640 -0.000 0.000 0.233 137 D C -0.010 176.288 176.300 -0.004 0.000 1.149 137 D CA 1.161 55.149 54.000 -0.019 0.000 0.682 137 D CB -0.657 40.138 40.800 -0.009 0.000 1.068 137 D HN 0.267 nan 8.370 nan 0.000 0.429 138 T N -1.587 112.965 114.554 -0.002 0.000 2.889 138 T HA 0.487 4.837 4.350 -0.000 0.000 0.315 138 T C -0.765 173.961 174.700 0.042 0.000 1.291 138 T CA -0.430 61.687 62.100 0.028 0.000 1.028 138 T CB 1.426 70.321 68.868 0.045 0.000 1.235 138 T HN -0.037 nan 8.240 nan 0.000 0.491 139 V N 5.411 125.365 119.914 0.066 0.000 2.479 139 V HA 0.246 4.366 4.120 -0.000 0.000 0.281 139 V C 0.688 176.841 176.094 0.099 0.000 1.031 139 V CA -0.344 62.012 62.300 0.094 0.000 1.038 139 V CB 0.258 32.163 31.823 0.137 0.000 0.981 139 V HN 0.679 nan 8.190 nan 0.000 0.478 140 L N 8.701 129.980 121.223 0.094 0.000 2.562 140 L HA 0.201 4.541 4.340 -0.000 0.000 0.271 140 L C -1.933 174.964 176.870 0.044 0.000 1.167 140 L CA -1.175 53.692 54.840 0.044 0.000 0.917 140 L CB 0.319 42.434 42.059 0.094 0.000 1.187 140 L HN 0.460 nan 8.230 nan 0.000 0.482 141 P HA 0.386 nan 4.420 nan 0.000 0.286 141 P C -0.915 176.229 177.300 -0.259 0.000 1.321 141 P CA -0.125 62.880 63.100 -0.159 0.000 0.790 141 P CB 1.031 32.553 31.700 -0.296 0.000 0.897 142 L N 4.182 125.357 121.223 -0.080 0.000 2.327 142 L HA 0.664 5.004 4.340 -0.000 0.000 0.258 142 L C 0.430 176.896 176.870 -0.673 0.000 1.024 142 L CA -0.965 53.665 54.840 -0.350 0.000 0.825 142 L CB 2.219 44.006 42.059 -0.452 0.000 1.386 142 L HN 0.549 nan 8.230 nan 0.000 0.417 143 H N -2.149 116.247 119.070 -1.124 0.000 2.977 143 H HA 0.605 5.161 4.556 -0.000 0.000 0.350 143 H C -2.078 172.629 175.328 -1.034 0.000 1.238 143 H CA -1.098 54.179 56.048 -1.285 0.000 1.124 143 H CB 1.911 30.886 29.762 -1.312 0.000 1.866 143 H HN 0.381 nan 8.280 nan 0.000 0.550 144 W N 1.595 122.713 121.300 -0.302 0.000 2.915 144 W HA 0.494 5.154 4.660 -0.000 0.000 0.337 144 W C -1.049 175.332 176.519 -0.231 0.000 1.102 144 W CA -0.978 56.249 57.345 -0.196 0.000 1.224 144 W CB 2.666 32.081 29.460 -0.075 0.000 1.416 144 W HN 0.464 nan 8.180 nan 0.000 0.503 145 I N 4.064 124.654 120.570 0.034 0.000 2.474 145 I HA 0.522 4.692 4.170 -0.000 0.000 0.294 145 I C -1.100 175.038 176.117 0.035 0.000 1.005 145 I CA -0.660 60.614 61.300 -0.043 0.000 1.113 145 I CB 1.245 39.170 38.000 -0.124 0.000 1.289 145 I HN 0.166 nan 8.210 nan 0.000 0.436 146 L N 5.430 126.658 121.223 0.008 0.000 2.327 146 L HA 0.650 4.990 4.340 -0.000 0.000 0.258 146 L C -0.578 176.271 176.870 -0.034 0.000 1.024 146 L CA -0.745 54.098 54.840 0.006 0.000 0.825 146 L CB 1.682 43.757 42.059 0.026 0.000 1.386 146 L HN 0.590 nan 8.230 nan 0.000 0.417 147 S N 0.032 115.703 115.700 -0.049 0.000 2.537 147 S HA 0.671 5.141 4.470 -0.000 0.000 0.271 147 S C -1.828 172.720 174.600 -0.087 0.000 1.148 147 S CA -0.523 57.636 58.200 -0.068 0.000 0.868 147 S CB 2.096 65.266 63.200 -0.050 0.000 1.115 147 S HN 0.874 nan 8.310 nan 0.000 0.461 148 D N 1.473 121.801 120.400 -0.121 0.000 3.009 148 D HA 0.404 5.044 4.640 -0.000 0.000 0.318 148 D C 0.317 176.514 176.300 -0.171 0.000 1.273 148 D CA -0.659 53.267 54.000 -0.122 0.000 1.001 148 D CB 0.135 40.866 40.800 -0.115 0.000 1.411 148 D HN 0.405 nan 8.370 nan 0.000 0.577 149 R N -0.948 119.473 120.500 -0.132 0.000 2.299 149 R HA 0.095 4.435 4.340 -0.000 0.000 0.197 149 R C 1.546 177.727 176.300 -0.198 0.000 0.971 149 R CA 1.274 57.297 56.100 -0.127 0.000 1.030 149 R CB -0.322 29.958 30.300 -0.033 0.000 0.932 149 R HN 0.692 nan 8.270 nan 0.000 0.477 150 T N -3.138 111.299 114.554 -0.195 0.000 3.035 150 T HA 0.063 4.413 4.350 -0.000 0.000 0.268 150 T C 1.604 176.147 174.700 -0.261 0.000 1.109 150 T CA 0.865 62.867 62.100 -0.163 0.000 1.119 150 T CB 0.266 69.068 68.868 -0.109 0.000 0.900 150 T HN 0.375 nan 8.240 nan 0.000 0.503 151 G N 1.326 109.816 108.800 -0.517 0.000 2.195 151 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.246 151 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.246 151 G C 0.288 175.059 174.900 -0.215 0.000 0.984 151 G CA -0.193 44.547 45.100 -0.599 0.000 0.633 151 G HN 0.608 nan 8.290 nan 0.000 0.525 152 R N 0.545 120.953 120.500 -0.153 0.000 2.707 152 R HA 0.574 4.914 4.340 -0.000 0.000 0.270 152 R C 0.027 176.282 176.300 -0.075 0.000 1.083 152 R CA -0.242 55.810 56.100 -0.080 0.000 1.182 152 R CB 0.023 30.288 30.300 -0.059 0.000 1.084 152 R HN 0.353 nan 8.270 nan 0.000 0.528 153 N N 0.078 118.750 118.700 -0.045 0.000 2.235 153 N HA 0.422 5.162 4.740 -0.000 0.000 0.293 153 N C -1.182 174.299 175.510 -0.049 0.000 1.083 153 N CA -0.675 52.345 53.050 -0.051 0.000 0.801 153 N CB 1.634 40.094 38.487 -0.044 0.000 1.559 153 N HN 0.104 nan 8.380 nan 0.000 0.472 154 L N 0.380 121.567 121.223 -0.059 0.000 2.354 154 L HA 0.650 4.989 4.340 -0.000 0.000 0.264 154 L C 0.031 176.828 176.870 -0.121 0.000 1.008 154 L CA -0.329 54.472 54.840 -0.064 0.000 0.819 154 L CB 2.115 44.164 42.059 -0.017 0.000 1.339 154 L HN 0.481 nan 8.230 nan 0.000 0.420 155 T N 3.009 117.457 114.554 -0.177 0.000 2.841 155 T HA 0.744 5.094 4.350 -0.000 0.000 0.283 155 T C -0.692 174.003 174.700 -0.010 0.000 1.000 155 T CA -0.223 61.744 62.100 -0.221 0.000 0.977 155 T CB 1.132 69.607 68.868 -0.654 0.000 0.979 155 T HN 0.288 nan 8.240 nan 0.000 0.446 156 I N 2.665 123.261 120.570 0.043 0.000 2.498 156 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 156 I C -0.351 175.858 176.117 0.153 0.000 1.032 156 I CA -0.680 60.694 61.300 0.124 0.000 1.073 156 I CB 2.114 40.196 38.000 0.136 0.000 1.251 156 I HN 0.493 nan 8.210 nan 0.000 0.426 157 E N 7.365 127.669 120.200 0.172 0.000 2.260 157 E HA 0.317 4.667 4.350 -0.000 0.000 0.266 157 E C -2.621 174.105 176.600 0.210 0.000 0.887 157 E CA -1.816 54.653 56.400 0.115 0.000 0.777 157 E CB 2.611 32.419 29.700 0.179 0.000 1.205 157 E HN 0.216 nan 8.360 nan 0.000 0.414 158 P HA 0.210 nan 4.420 nan 0.000 0.284 158 P C -0.669 176.687 177.300 0.092 0.000 1.343 158 P CA -0.450 62.746 63.100 0.161 0.000 0.826 158 P CB 0.635 32.445 31.700 0.183 0.000 0.956 159 R N 2.404 122.969 120.500 0.107 0.000 2.875 159 R HA 0.583 4.923 4.340 -0.000 0.000 0.251 159 R C 1.548 177.856 176.300 0.013 0.000 1.123 159 R CA -0.979 55.173 56.100 0.087 0.000 1.064 159 R CB 0.203 30.603 30.300 0.167 0.000 1.205 159 R HN 0.312 nan 8.270 nan 0.000 0.503 160 A N 0.308 123.124 122.820 -0.007 0.000 1.940 160 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 160 A C 1.279 178.870 177.584 0.011 0.000 1.176 160 A CA 1.997 54.025 52.037 -0.016 0.000 0.631 160 A CB -0.377 18.604 19.000 -0.033 0.000 0.814 160 A HN 0.684 nan 8.150 nan 0.000 0.446 161 D N -1.498 118.920 120.400 0.031 0.000 2.378 161 D HA 0.363 5.003 4.640 -0.000 0.000 0.227 161 D C 0.945 177.267 176.300 0.036 0.000 1.012 161 D CA 1.382 55.403 54.000 0.036 0.000 0.905 161 D CB 0.031 40.862 40.800 0.052 0.000 0.895 161 D HN 0.722 nan 8.370 nan 0.000 0.532 162 G N -0.758 108.065 108.800 0.039 0.000 2.498 162 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.651 162 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.651 162 G C -0.936 173.996 174.900 0.053 0.000 1.284 162 G CA -0.830 44.294 45.100 0.040 0.000 0.950 162 G HN 0.122 nan 8.290 nan 0.000 0.511 163 L N 1.135 122.384 121.223 0.044 0.000 2.313 163 L HA 0.356 4.695 4.340 -0.000 0.000 0.282 163 L C 0.458 177.339 176.870 0.019 0.000 1.092 163 L CA -0.416 54.455 54.840 0.051 0.000 0.831 163 L CB 0.688 42.766 42.059 0.031 0.000 1.159 163 L HN 0.357 nan 8.230 nan 0.000 0.442 164 K N 3.961 124.377 120.400 0.026 0.000 2.182 164 K HA 0.552 4.872 4.320 -0.000 0.000 0.262 164 K C -0.860 175.594 176.600 -0.243 0.000 0.957 164 K CA -0.669 55.551 56.287 -0.113 0.000 0.842 164 K CB 2.648 35.123 32.500 -0.042 0.000 1.099 164 K HN 0.215 nan 8.250 nan 0.000 0.438 165 V N 3.647 123.313 119.914 -0.413 0.000 2.495 165 V HA 0.412 4.532 4.120 -0.000 0.000 0.298 165 V C -1.215 174.546 176.094 -0.555 0.000 1.031 165 V CA -0.875 61.227 62.300 -0.329 0.000 0.871 165 V CB 0.883 32.629 31.823 -0.129 0.000 0.988 165 V HN 0.572 nan 8.190 nan 0.000 0.432 166 Y N 1.017 121.314 120.300 -0.004 0.000 2.442 166 Y HA 0.434 4.984 4.550 -0.000 0.000 0.344 166 Y C 0.166 176.042 175.900 -0.040 0.000 0.976 166 Y CA -1.310 56.798 58.100 0.014 0.000 1.040 166 Y CB 1.344 39.819 38.460 0.026 0.000 1.228 166 Y HN 0.557 nan 8.280 nan 0.000 0.451 167 D N 2.359 122.854 120.400 0.160 0.000 2.434 167 D HA -0.067 4.573 4.640 -0.000 0.000 0.252 167 D C -0.181 176.203 176.300 0.140 0.000 1.185 167 D CA 0.410 54.475 54.000 0.109 0.000 0.886 167 D CB 0.595 41.459 40.800 0.106 0.000 1.148 167 D HN 0.410 nan 8.370 nan 0.000 0.483 168 N N 3.044 121.756 118.700 0.021 0.000 2.645 168 N HA -0.027 4.713 4.740 -0.000 0.000 0.233 168 N C 0.842 176.437 175.510 0.143 0.000 1.058 168 N CA -0.249 52.827 53.050 0.042 0.000 0.942 168 N CB 0.652 38.992 38.487 -0.244 0.000 1.210 168 N HN 0.236 nan 8.380 nan 0.000 0.512 169 Q N 2.001 121.933 119.800 0.220 0.000 2.046 169 Q HA 0.011 4.351 4.340 -0.000 0.000 0.200 169 Q C -0.747 175.325 176.000 0.120 0.000 0.975 169 Q CA 1.421 57.309 55.803 0.141 0.000 0.836 169 Q CB -0.990 27.827 28.738 0.131 0.000 0.896 169 Q HN 0.587 nan 8.270 nan 0.000 0.428 170 P HA 0.016 nan 4.420 nan 0.000 0.223 170 P C 0.283 177.605 177.300 0.036 0.000 1.151 170 P CA 1.365 64.524 63.100 0.098 0.000 0.787 170 P CB -0.114 31.674 31.700 0.147 0.000 0.788 171 G N -0.941 107.892 108.800 0.054 0.000 2.246 171 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.273 171 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.273 171 G C -0.052 174.799 174.900 -0.081 0.000 1.055 171 G CA 0.020 45.111 45.100 -0.014 0.000 0.851 171 G HN 0.379 nan 8.290 nan 0.000 0.500 172 V N 0.290 120.134 119.914 -0.116 0.000 2.962 172 V HA 0.916 5.036 4.120 -0.000 0.000 0.313 172 V C 0.171 176.095 176.094 -0.284 0.000 1.099 172 V CA -0.712 61.392 62.300 -0.326 0.000 0.971 172 V CB 2.362 33.784 31.823 -0.669 0.000 1.028 172 V HN 0.517 nan 8.190 nan 0.000 0.430 173 M N 2.255 121.686 119.600 -0.282 0.000 2.373 173 M HA 0.412 4.892 4.480 -0.000 0.000 0.290 173 M C -0.130 176.152 176.300 -0.029 0.000 1.143 173 M CA -0.165 55.110 55.300 -0.042 0.000 0.949 173 M CB 2.403 34.938 32.600 -0.107 0.000 1.756 173 M HN 0.993 nan 8.290 nan 0.000 0.494 174 T N 1.360 116.001 114.554 0.146 0.000 2.312 174 T HA 0.573 4.923 4.350 -0.000 0.000 0.175 174 T C 0.251 175.143 174.700 0.320 0.000 0.727 174 T CA 0.107 62.315 62.100 0.180 0.000 1.333 174 T CB 0.388 69.383 68.868 0.212 0.000 2.928 174 T HN 0.729 nan 8.240 nan 0.000 0.403 175 N N -0.063 118.825 118.700 0.314 0.000 3.550 175 N HA 0.567 5.307 4.740 -0.000 0.000 0.357 175 N C -1.007 174.699 175.510 0.327 0.000 1.585 175 N CA -0.834 52.420 53.050 0.340 0.000 0.651 175 N CB 0.693 39.344 38.487 0.274 0.000 2.273 175 N HN 0.415 nan 8.380 nan 0.000 0.631 176 S N 1.791 117.595 115.700 0.174 0.000 2.593 176 S HA 0.247 4.717 4.470 -0.000 0.000 0.269 176 S C -2.102 172.446 174.600 -0.087 0.000 1.334 176 S CA -0.728 57.414 58.200 -0.096 0.000 1.015 176 S CB 0.631 63.660 63.200 -0.284 0.000 0.912 176 S HN 0.333 nan 8.310 nan 0.000 0.541 177 P HA 0.152 nan 4.420 nan 0.000 0.329 177 P C -0.712 176.346 177.300 -0.404 0.000 1.319 177 P CA -0.512 61.926 63.100 -1.102 0.000 0.742 177 P CB 0.041 30.995 31.700 -1.244 0.000 1.564 178 D N -1.088 119.064 120.400 -0.414 0.000 2.361 178 D HA -0.080 4.560 4.640 -0.000 0.000 0.239 178 D C 0.961 177.427 176.300 0.276 0.000 1.200 178 D CA -0.295 53.819 54.000 0.190 0.000 0.915 178 D CB 0.439 41.384 40.800 0.242 0.000 1.170 178 D HN 0.193 nan 8.370 nan 0.000 0.444 179 F N 0.506 120.500 119.950 0.074 0.000 2.134 179 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 179 F C 2.085 177.824 175.800 -0.102 0.000 1.097 179 F CA 1.088 59.063 58.000 -0.041 0.000 1.264 179 F CB -0.073 38.761 39.000 -0.277 0.000 1.001 179 F HN 0.223 nan 8.300 nan 0.000 0.479 180 I N -0.951 119.430 120.570 -0.316 0.000 2.361 180 I HA -0.296 3.874 4.170 -0.000 0.000 0.251 180 I C 2.157 178.124 176.117 -0.251 0.000 1.133 180 I CA 1.037 62.157 61.300 -0.301 0.000 1.413 180 I CB -1.759 36.176 38.000 -0.107 0.000 1.073 180 I HN 0.449 nan 8.210 nan 0.000 0.424 181 W N 2.153 123.281 121.300 -0.286 0.000 2.333 181 W HA -0.240 4.420 4.660 -0.000 0.000 0.316 181 W C 2.922 179.177 176.519 -0.440 0.000 1.215 181 W CA 2.034 59.186 57.345 -0.321 0.000 1.278 181 W CB -0.403 28.853 29.460 -0.341 0.000 1.154 181 W HN 0.189 nan 8.180 nan 0.000 0.486 182 H N -1.189 117.735 119.070 -0.243 0.000 2.357 182 H HA -0.142 4.414 4.556 -0.000 0.000 0.301 182 H C 2.287 177.145 175.328 -0.784 0.000 1.082 182 H CA 2.067 57.717 56.048 -0.663 0.000 1.342 182 H CB -0.846 28.103 29.762 -1.355 0.000 1.389 182 H HN 0.090 nan 8.280 nan 0.000 0.511 183 V N 0.864 120.417 119.914 -0.601 0.000 2.407 183 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 183 V C 2.396 178.301 176.094 -0.314 0.000 1.055 183 V CA 2.060 64.115 62.300 -0.408 0.000 1.049 183 V CB -0.642 30.910 31.823 -0.452 0.000 0.662 183 V HN 0.474 nan 8.190 nan 0.000 0.455 184 T N -0.370 113.943 114.554 -0.402 0.000 2.821 184 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 184 T C 1.851 176.303 174.700 -0.414 0.000 1.046 184 T CA 1.538 63.416 62.100 -0.369 0.000 1.139 184 T CB -0.481 68.135 68.868 -0.420 0.000 0.871 184 T HN 0.574 nan 8.240 nan 0.000 0.454 185 N N 0.946 119.271 118.700 -0.626 0.000 2.289 185 N HA -0.061 4.678 4.740 -0.000 0.000 0.184 185 N C 1.799 177.250 175.510 -0.098 0.000 1.016 185 N CA 0.636 53.367 53.050 -0.531 0.000 0.872 185 N CB -0.150 37.822 38.487 -0.858 0.000 0.973 185 N HN 0.379 nan 8.380 nan 0.000 0.433 186 L N 0.864 122.046 121.223 -0.068 0.000 2.131 186 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 186 L C 2.421 179.355 176.870 0.107 0.000 1.092 186 L CA 0.779 55.687 54.840 0.113 0.000 0.759 186 L CB -0.476 41.646 42.059 0.104 0.000 0.903 186 L HN 0.188 nan 8.230 nan 0.000 0.435 187 Q N 0.024 119.815 119.800 -0.015 0.000 2.248 187 Q HA -0.238 4.102 4.340 -0.000 0.000 0.208 187 Q C 2.113 178.072 176.000 -0.069 0.000 0.984 187 Q CA 1.280 57.061 55.803 -0.037 0.000 0.875 187 Q CB -0.362 28.329 28.738 -0.078 0.000 0.910 187 Q HN 0.555 nan 8.270 nan 0.000 0.433 188 Q N -0.896 118.827 119.800 -0.129 0.000 2.436 188 Q HA -0.069 4.271 4.340 -0.000 0.000 0.209 188 Q C 0.484 176.172 176.000 -0.520 0.000 0.965 188 Q CA 0.750 56.324 55.803 -0.381 0.000 0.910 188 Q CB 0.175 28.555 28.738 -0.596 0.000 0.980 188 Q HN 0.554 nan 8.270 nan 0.000 0.491 189 Y N -0.741 119.554 120.300 -0.008 0.000 2.660 189 Y HA 0.076 4.626 4.550 -0.000 0.000 0.254 189 Y C 1.758 177.690 175.900 0.052 0.000 1.176 189 Y CA 0.181 58.293 58.100 0.019 0.000 1.195 189 Y CB 0.396 38.880 38.460 0.041 0.000 1.190 189 Y HN 0.065 nan 8.280 nan 0.000 0.535 190 T N -4.310 110.323 114.554 0.132 0.000 3.118 190 T HA -0.005 4.345 4.350 -0.000 0.000 0.260 190 T C 2.049 176.817 174.700 0.113 0.000 1.139 190 T CA 0.966 63.146 62.100 0.133 0.000 1.085 190 T CB -0.135 68.783 68.868 0.083 0.000 0.934 190 T HN 0.408 nan 8.240 nan 0.000 0.518 191 G N 1.027 109.870 108.800 0.070 0.000 2.712 191 G HA2 0.268 4.228 3.960 -0.000 0.000 0.212 191 G HA3 0.268 4.228 3.960 -0.000 0.000 0.212 191 G C 0.503 175.434 174.900 0.051 0.000 1.142 191 G CA -0.405 44.722 45.100 0.046 0.000 0.789 191 G HN 0.559 nan 8.290 nan 0.000 0.535 192 I N 1.463 122.077 120.570 0.073 0.000 2.529 192 I HA 0.314 4.484 4.170 -0.000 0.000 0.284 192 I C 0.577 176.732 176.117 0.064 0.000 1.082 192 I CA -0.221 61.066 61.300 -0.022 0.000 1.406 192 I CB 0.800 38.710 38.000 -0.149 0.000 1.405 192 I HN 0.205 nan 8.210 nan 0.000 0.548 193 R N 5.960 126.465 120.500 0.008 0.000 2.710 193 R HA 0.436 4.776 4.340 -0.000 0.000 0.270 193 R C -2.897 173.417 176.300 0.024 0.000 1.021 193 R CA -1.554 54.576 56.100 0.049 0.000 0.889 193 R CB 1.416 31.751 30.300 0.058 0.000 1.243 193 R HN 0.109 nan 8.270 nan 0.000 0.464 194 P HA -0.083 nan 4.420 nan 0.000 0.218 194 P C -0.360 176.957 177.300 0.027 0.000 1.149 194 P CA 1.167 64.291 63.100 0.039 0.000 0.817 194 P CB 0.261 31.963 31.700 0.004 0.000 0.785 195 K N 0.593 121.005 120.400 0.020 0.000 2.206 195 K HA 0.149 4.469 4.320 -0.000 0.000 0.264 195 K C 0.079 176.682 176.600 0.005 0.000 0.967 195 K CA -0.732 55.563 56.287 0.015 0.000 0.844 195 K CB 0.738 33.249 32.500 0.019 0.000 1.099 195 K HN -0.126 nan 8.250 nan 0.000 0.441 196 Q N 4.030 123.828 119.800 -0.004 0.000 2.304 196 Q HA -0.108 4.232 4.340 -0.000 0.000 0.301 196 Q C 0.941 176.935 176.000 -0.011 0.000 1.063 196 Q CA -0.236 55.559 55.803 -0.014 0.000 0.947 196 Q CB 0.644 29.368 28.738 -0.024 0.000 1.201 196 Q HN 0.687 nan 8.270 nan 0.000 0.389 197 L N 3.624 124.839 121.223 -0.014 0.000 2.056 197 L HA -0.277 4.063 4.340 -0.000 0.000 0.237 197 L C 0.360 177.222 176.870 -0.013 0.000 1.106 197 L CA 2.312 57.145 54.840 -0.012 0.000 0.829 197 L CB -0.690 41.359 42.059 -0.018 0.000 0.924 197 L HN 0.871 nan 8.230 nan 0.000 0.447 210 F N 0.453 120.402 119.950 -0.002 0.000 2.451 210 F HA 0.346 4.873 4.527 -0.000 0.000 0.299 210 F C 1.688 177.488 175.800 -0.000 0.000 1.101 210 F CA 1.238 59.237 58.000 -0.001 0.000 1.436 210 F CB -0.159 38.840 39.000 -0.002 0.000 1.074 210 F HN 0.789 nan 8.300 nan 0.000 0.553 211 G N -1.444 107.451 108.800 0.158 0.000 2.404 211 G HA2 0.169 4.129 3.960 -0.000 0.000 0.253 211 G HA3 0.169 4.129 3.960 -0.000 0.000 0.253 211 G C -1.105 173.826 174.900 0.051 0.000 1.253 211 G CA -0.854 44.302 45.100 0.093 0.000 0.917 211 G HN -0.181 nan 8.290 nan 0.000 0.480 212 Q N -0.350 119.477 119.800 0.044 0.000 2.308 212 Q HA 0.548 4.888 4.340 -0.000 0.000 0.207 212 Q C 1.277 177.294 176.000 0.028 0.000 1.035 212 Q CA 0.575 56.395 55.803 0.029 0.000 1.008 212 Q CB 0.607 29.362 28.738 0.029 0.000 1.168 212 Q HN 2.258 nan 8.270 nan 0.000 0.565 213 G N -0.585 108.226 108.800 0.018 0.000 2.195 213 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.246 213 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.246 213 G C 0.552 175.448 174.900 -0.007 0.000 0.984 213 G CA 0.304 45.410 45.100 0.011 0.000 0.633 213 G HN 0.425 nan 8.290 nan 0.000 0.525 214 L N 1.928 123.144 121.223 -0.012 0.000 2.127 214 L HA 0.162 4.502 4.340 -0.000 0.000 0.211 214 L C 2.726 179.574 176.870 -0.037 0.000 1.089 214 L CA 2.902 57.725 54.840 -0.029 0.000 0.757 214 L CB -1.115 40.914 42.059 -0.049 0.000 0.899 214 L HN 0.463 nan 8.230 nan 0.000 0.434 215 G N -2.791 105.990 108.800 -0.031 0.000 2.559 215 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 215 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 215 G C 1.473 176.330 174.900 -0.072 0.000 1.126 215 G CA 1.031 46.109 45.100 -0.036 0.000 0.778 215 G HN 0.388 nan 8.290 nan 0.000 0.543 216 T N 0.322 114.819 114.554 -0.094 0.000 3.065 216 T HA 0.195 4.545 4.350 -0.000 0.000 0.252 216 T C 1.097 175.701 174.700 -0.159 0.000 1.099 216 T CA -0.335 61.651 62.100 -0.191 0.000 1.063 216 T CB 0.072 68.861 68.868 -0.132 0.000 0.948 216 T HN -0.045 nan 8.240 nan 0.000 0.506 217 V N 1.636 121.499 119.914 -0.086 0.000 2.720 217 V HA 0.298 4.418 4.120 -0.000 0.000 0.307 217 V C 1.673 177.734 176.094 -0.054 0.000 1.071 217 V CA 1.519 63.786 62.300 -0.055 0.000 1.199 217 V CB 0.274 32.078 31.823 -0.031 0.000 0.900 217 V HN 0.683 nan 8.190 nan 0.000 0.494 218 G N 3.711 112.495 108.800 -0.027 0.000 2.254 218 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.225 218 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.225 218 G C 0.270 175.197 174.900 0.046 0.000 1.003 218 G CA -0.017 45.097 45.100 0.023 0.000 0.622 218 G HN 0.646 nan 8.290 nan 0.000 0.507 219 L N 2.892 124.072 121.223 -0.072 0.000 2.737 219 L HA 0.151 4.491 4.340 -0.000 0.000 0.279 219 L C -1.365 175.466 176.870 -0.066 0.000 1.200 219 L CA -0.577 54.187 54.840 -0.127 0.000 0.952 219 L CB 0.383 42.307 42.059 -0.226 0.000 1.240 219 L HN 0.092 nan 8.230 nan 0.000 0.486 220 P HA 0.084 nan 4.420 nan 0.000 0.271 220 P C 0.405 177.661 177.300 -0.073 0.000 1.216 220 P CA -0.113 62.960 63.100 -0.045 0.000 0.771 220 P CB 0.972 32.626 31.700 -0.077 0.000 0.864 221 G N 1.528 110.277 108.800 -0.086 0.000 3.126 221 G HA2 0.064 4.024 3.960 -0.000 0.000 0.224 221 G HA3 0.064 4.024 3.960 -0.000 0.000 0.224 221 G C 0.002 174.728 174.900 -0.289 0.000 1.142 221 G CA -0.153 44.859 45.100 -0.146 0.000 0.759 221 G HN 0.601 nan 8.290 nan 0.000 0.550 222 D N -1.758 118.502 120.400 -0.233 0.000 2.432 222 D HA 0.311 4.951 4.640 -0.000 0.000 0.258 222 D C 0.185 176.280 176.300 -0.341 0.000 1.146 222 D CA -0.922 52.891 54.000 -0.311 0.000 1.015 222 D CB 0.727 41.467 40.800 -0.100 0.000 1.107 222 D HN -0.009 nan 8.370 nan 0.000 0.529 223 Y N -1.038 119.307 120.300 0.075 0.000 2.468 223 Y HA 0.139 4.689 4.550 -0.000 0.000 0.268 223 Y C 0.908 176.862 175.900 0.089 0.000 1.177 223 Y CA -0.252 57.903 58.100 0.092 0.000 1.265 223 Y CB -0.719 37.806 38.460 0.109 0.000 1.103 223 Y HN 0.448 nan 8.280 nan 0.000 0.522 224 T N -1.789 112.870 114.554 0.175 0.000 2.937 224 T HA -0.008 4.342 4.350 -0.000 0.000 0.316 224 T C -1.644 173.160 174.700 0.174 0.000 1.079 224 T CA -1.306 60.878 62.100 0.140 0.000 1.131 224 T CB 1.280 70.202 68.868 0.090 0.000 1.000 224 T HN -0.042 nan 8.240 nan 0.000 0.549 225 P HA -0.024 nan 4.420 nan 0.000 0.215 225 P C -1.478 176.029 177.300 0.346 0.000 1.157 225 P CA 1.198 64.449 63.100 0.251 0.000 0.874 225 P CB -1.139 30.707 31.700 0.244 0.000 0.790 226 P HA -0.099 nan 4.420 nan 0.000 0.216 226 P C 1.600 179.069 177.300 0.281 0.000 1.150 226 P CA 1.809 65.148 63.100 0.398 0.000 0.837 226 P CB -0.444 31.430 31.700 0.290 0.000 0.786 227 S N -1.018 114.787 115.700 0.176 0.000 2.414 227 S HA -0.020 4.450 4.470 -0.000 0.000 0.227 227 S C 1.846 176.506 174.600 0.100 0.000 1.022 227 S CA 0.801 59.046 58.200 0.075 0.000 0.958 227 S CB -0.491 62.730 63.200 0.034 0.000 0.797 227 S HN 0.158 nan 8.310 nan 0.000 0.493 228 R N -0.030 120.570 120.500 0.168 0.000 2.115 228 R HA 0.019 4.359 4.340 -0.000 0.000 0.230 228 R C 1.940 178.343 176.300 0.171 0.000 1.111 228 R CA 1.093 57.291 56.100 0.163 0.000 0.976 228 R CB -0.346 30.074 30.300 0.199 0.000 0.870 228 R HN 0.367 nan 8.270 nan 0.000 0.445 229 F N 0.813 120.804 119.950 0.069 0.000 2.134 229 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 229 F C 2.022 177.837 175.800 0.025 0.000 1.097 229 F CA 1.229 59.256 58.000 0.045 0.000 1.264 229 F CB -0.118 38.930 39.000 0.080 0.000 1.001 229 F HN -0.281 nan 8.300 nan 0.000 0.479 230 V N 0.521 120.609 119.914 0.289 0.000 2.358 230 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 230 V C 2.568 178.690 176.094 0.047 0.000 1.047 230 V CA 2.057 64.403 62.300 0.077 0.000 1.035 230 V CB -0.692 30.930 31.823 -0.335 0.000 0.658 230 V HN 0.265 nan 8.190 nan 0.000 0.452 231 R N 0.047 120.568 120.500 0.035 0.000 2.090 231 R HA -0.088 4.252 4.340 -0.000 0.000 0.228 231 R C 2.290 178.652 176.300 0.103 0.000 1.110 231 R CA 1.398 57.538 56.100 0.065 0.000 0.973 231 R CB -0.309 30.014 30.300 0.038 0.000 0.869 231 R HN 0.495 nan 8.270 nan 0.000 0.440 232 A N 0.184 123.030 122.820 0.044 0.000 1.898 232 A HA -0.084 4.235 4.320 -0.000 0.000 0.216 232 A C 2.204 179.781 177.584 -0.012 0.000 1.181 232 A CA 1.281 53.313 52.037 -0.009 0.000 0.620 232 A CB -0.413 18.525 19.000 -0.103 0.000 0.819 232 A HN 0.199 nan 8.150 nan 0.000 0.442 233 V N -1.449 118.460 119.914 -0.008 0.000 2.307 233 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 233 V C 2.318 178.471 176.094 0.098 0.000 1.045 233 V CA 2.003 64.312 62.300 0.015 0.000 1.024 233 V CB -0.974 30.898 31.823 0.082 0.000 0.651 233 V HN 0.725 nan 8.190 nan 0.000 0.449 234 Y N 0.515 120.856 120.300 0.069 0.000 2.114 234 Y HA -0.266 4.284 4.550 -0.000 0.000 0.282 234 Y C 2.183 178.202 175.900 0.198 0.000 1.165 234 Y CA 1.930 60.124 58.100 0.157 0.000 1.148 234 Y CB -0.167 38.355 38.460 0.104 0.000 0.972 234 Y HN 0.157 nan 8.280 nan 0.000 0.504 235 L N 0.138 121.423 121.223 0.103 0.000 2.109 235 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 235 L C 2.572 179.401 176.870 -0.069 0.000 1.086 235 L CA 1.566 56.411 54.840 0.008 0.000 0.760 235 L CB -0.575 41.546 42.059 0.104 0.000 0.910 235 L HN 0.139 nan 8.230 nan 0.000 0.437 236 K N 0.271 120.635 120.400 -0.060 0.000 2.032 236 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 236 K C 2.042 178.551 176.600 -0.152 0.000 1.048 236 K CA 1.464 57.697 56.287 -0.090 0.000 0.927 236 K CB 0.072 32.523 32.500 -0.082 0.000 0.712 236 K HN 0.126 nan 8.250 nan 0.000 0.441 237 E N 0.143 120.214 120.200 -0.215 0.000 2.153 237 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 237 E C 1.268 177.501 176.600 -0.612 0.000 0.988 237 E CA 1.128 57.290 56.400 -0.396 0.000 0.811 237 E CB -0.069 29.363 29.700 -0.446 0.000 0.746 237 E HN 0.551 nan 8.360 nan 0.000 0.466 238 H N -0.664 118.217 119.070 -0.315 0.000 2.505 238 H HA 0.132 4.688 4.556 -0.000 0.000 0.286 238 H C 0.242 175.462 175.328 -0.180 0.000 1.072 238 H CA -0.492 55.392 56.048 -0.274 0.000 1.141 238 H CB 0.239 29.734 29.762 -0.445 0.000 1.550 238 H HN 0.006 nan 8.280 nan 0.000 0.547 239 L N 3.313 124.479 121.223 -0.095 0.000 2.562 239 L HA -0.007 4.332 4.340 -0.000 0.000 0.271 239 L C 0.616 177.455 176.870 -0.051 0.000 1.167 239 L CA -0.069 54.736 54.840 -0.059 0.000 0.917 239 L CB 0.348 42.368 42.059 -0.065 0.000 1.187 239 L HN 0.025 nan 8.230 nan 0.000 0.482 240 E N 6.924 127.106 120.200 -0.030 0.000 2.568 240 E HA -0.024 4.326 4.350 -0.000 0.000 0.262 240 E C -2.046 174.530 176.600 -0.040 0.000 0.961 240 E CA -0.945 55.437 56.400 -0.029 0.000 0.945 240 E CB -0.207 29.483 29.700 -0.017 0.000 0.924 240 E HN 0.474 nan 8.360 nan 0.000 0.467 241 P HA 0.022 nan 4.420 nan 0.000 0.265 241 P C -0.973 176.297 177.300 -0.050 0.000 1.193 241 P CA 0.034 63.104 63.100 -0.051 0.000 0.765 241 P CB 0.576 32.247 31.700 -0.048 0.000 0.823 242 A N 2.758 125.540 122.820 -0.062 0.000 2.290 242 A HA 0.536 4.856 4.320 -0.000 0.000 0.310 242 A C 1.398 178.944 177.584 -0.064 0.000 1.202 242 A CA -0.091 51.909 52.037 -0.063 0.000 0.837 242 A CB 0.734 19.687 19.000 -0.077 0.000 1.139 242 A HN 0.544 nan 8.150 nan 0.000 0.509 243 A N 2.226 125.015 122.820 -0.052 0.000 1.930 243 A HA 0.254 4.574 4.320 -0.000 0.000 0.217 243 A C 0.704 178.257 177.584 -0.051 0.000 1.175 243 A CA 1.869 53.879 52.037 -0.046 0.000 0.627 243 A CB -0.364 18.616 19.000 -0.033 0.000 0.815 243 A HN 0.979 nan 8.150 nan 0.000 0.443 244 D N -4.073 116.294 120.400 -0.055 0.000 2.643 244 D HA 0.180 4.820 4.640 -0.000 0.000 0.283 244 D C 0.432 176.693 176.300 -0.065 0.000 1.242 244 D CA -0.100 53.869 54.000 -0.051 0.000 0.863 244 D CB 0.105 40.886 40.800 -0.031 0.000 1.382 244 D HN 0.012 nan 8.370 nan 0.000 0.444 245 E N -0.419 119.751 120.200 -0.050 0.000 2.086 245 E HA -0.285 4.065 4.350 -0.000 0.000 0.205 245 E C 1.194 177.727 176.600 -0.112 0.000 1.027 245 E CA 2.654 59.020 56.400 -0.057 0.000 0.830 245 E CB -0.212 29.498 29.700 0.017 0.000 0.751 245 E HN 0.552 nan 8.360 nan 0.000 0.456 246 T N 0.377 114.885 114.554 -0.075 0.000 2.746 246 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 246 T C 1.810 176.435 174.700 -0.125 0.000 1.039 246 T CA 1.629 63.662 62.100 -0.112 0.000 1.142 246 T CB -0.161 68.686 68.868 -0.036 0.000 0.866 246 T HN 0.130 nan 8.240 nan 0.000 0.444 247 K N 0.540 120.888 120.400 -0.086 0.000 2.211 247 K HA 0.032 4.352 4.320 -0.000 0.000 0.203 247 K C 2.458 178.996 176.600 -0.103 0.000 1.050 247 K CA 0.924 57.166 56.287 -0.076 0.000 0.945 247 K CB -0.429 32.038 32.500 -0.055 0.000 0.732 247 K HN 0.370 nan 8.250 nan 0.000 0.451 248 G N 0.177 108.898 108.800 -0.133 0.000 2.402 248 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 248 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 248 G C 1.496 176.257 174.900 -0.232 0.000 1.162 248 G CA 0.655 45.659 45.100 -0.161 0.000 0.777 248 G HN 0.114 nan 8.290 nan 0.000 0.539 249 V N 0.778 120.499 119.914 -0.320 0.000 2.358 249 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 249 V C 3.149 179.048 176.094 -0.325 0.000 1.047 249 V CA 2.323 64.324 62.300 -0.498 0.000 1.035 249 V CB -0.778 30.596 31.823 -0.750 0.000 0.658 249 V HN 0.369 nan 8.190 nan 0.000 0.452 250 T N 0.326 114.807 114.554 -0.122 0.000 2.652 250 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 250 T C 2.063 176.777 174.700 0.023 0.000 1.039 250 T CA 1.774 63.895 62.100 0.034 0.000 1.153 250 T CB -0.453 68.425 68.868 0.015 0.000 0.863 250 T HN 0.570 nan 8.240 nan 0.000 0.428 251 A N 1.478 124.269 122.820 -0.048 0.000 1.883 251 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 251 A C 2.650 180.204 177.584 -0.050 0.000 1.186 251 A CA 2.058 54.072 52.037 -0.039 0.000 0.624 251 A CB -1.212 17.750 19.000 -0.064 0.000 0.822 251 A HN 0.522 nan 8.150 nan 0.000 0.444 252 A N -1.344 121.385 122.820 -0.152 0.000 1.940 252 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 252 A C 1.907 179.440 177.584 -0.084 0.000 1.176 252 A CA 1.668 53.592 52.037 -0.189 0.000 0.631 252 A CB -0.696 18.099 19.000 -0.341 0.000 0.814 252 A HN 0.454 nan 8.150 nan 0.000 0.446 253 F N -0.041 119.914 119.950 0.008 0.000 2.163 253 F HA -0.098 4.429 4.527 -0.000 0.000 0.297 253 F C 2.685 178.520 175.800 0.058 0.000 1.094 253 F CA 1.174 59.219 58.000 0.075 0.000 1.290 253 F CB -0.602 38.468 39.000 0.117 0.000 1.017 253 F HN 0.197 nan 8.300 nan 0.000 0.483 254 Q N 0.280 120.207 119.800 0.211 0.000 2.096 254 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 254 Q C 2.567 178.630 176.000 0.105 0.000 0.982 254 Q CA 1.545 57.420 55.803 0.121 0.000 0.850 254 Q CB -0.735 28.046 28.738 0.071 0.000 0.901 254 Q HN 0.439 nan 8.270 nan 0.000 0.422 255 I N 0.368 120.987 120.570 0.081 0.000 2.202 255 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 255 I C 2.120 178.295 176.117 0.097 0.000 1.091 255 I CA 0.889 62.230 61.300 0.069 0.000 1.368 255 I CB -0.223 37.794 38.000 0.027 0.000 1.058 255 I HN 0.116 nan 8.210 nan 0.000 0.410 256 L N 0.444 121.740 121.223 0.123 0.000 2.465 256 L HA -0.077 4.263 4.340 -0.000 0.000 0.224 256 L C 2.692 179.665 176.870 0.171 0.000 1.145 256 L CA 0.527 55.453 54.840 0.143 0.000 0.834 256 L CB -0.632 41.525 42.059 0.163 0.000 0.944 256 L HN 0.210 nan 8.230 nan 0.000 0.451 257 A N 0.254 123.176 122.820 0.170 0.000 1.978 257 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 257 A C 1.999 179.663 177.584 0.133 0.000 1.170 257 A CA 1.576 53.695 52.037 0.137 0.000 0.636 257 A CB -0.484 18.573 19.000 0.095 0.000 0.810 257 A HN 0.474 nan 8.150 nan 0.000 0.448 258 N N -1.337 117.442 118.700 0.130 0.000 2.515 258 N HA 0.019 4.759 4.740 -0.000 0.000 0.185 258 N C 0.333 175.952 175.510 0.181 0.000 1.109 258 N CA 0.855 53.986 53.050 0.134 0.000 0.903 258 N CB 0.100 38.653 38.487 0.110 0.000 0.969 258 N HN 0.434 nan 8.380 nan 0.000 0.450 259 M N -0.343 119.374 119.600 0.195 0.000 2.596 259 M HA 0.137 4.616 4.480 -0.000 0.000 0.364 259 M C -0.417 176.013 176.300 0.217 0.000 1.158 259 M CA 0.086 55.540 55.300 0.257 0.000 0.940 259 M CB 1.145 33.858 32.600 0.189 0.000 1.388 259 M HN -0.326 nan 8.290 nan 0.000 0.522 260 T N 1.698 116.366 114.554 0.189 0.000 2.749 260 T HA 0.498 4.848 4.350 -0.000 0.000 0.295 260 T C 0.164 174.890 174.700 0.043 0.000 0.936 260 T CA -0.115 62.056 62.100 0.119 0.000 1.060 260 T CB 0.544 69.485 68.868 0.122 0.000 0.904 260 T HN 0.147 nan 8.240 nan 0.000 0.500 261 I N 6.570 127.100 120.570 -0.068 0.000 2.297 261 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 261 I C -2.166 174.007 176.117 0.094 0.000 1.033 261 I CA -2.523 58.620 61.300 -0.262 0.000 1.253 261 I CB 1.084 38.854 38.000 -0.383 0.000 1.396 261 I HN 0.298 nan 8.210 nan 0.000 0.476 262 P HA 0.121 nan 4.420 nan 0.000 0.272 262 P C -0.861 176.547 177.300 0.179 0.000 1.230 262 P CA -0.539 62.723 63.100 0.271 0.000 0.788 262 P CB 0.504 32.303 31.700 0.166 0.000 0.949 263 K N 1.429 121.890 120.400 0.102 0.000 2.416 263 K HA 0.326 4.646 4.320 -0.000 0.000 0.283 263 K C 1.204 177.777 176.600 -0.044 0.000 1.037 263 K CA 0.878 57.071 56.287 -0.156 0.000 0.995 263 K CB -0.394 31.851 32.500 -0.425 0.000 0.938 263 K HN 0.824 nan 8.250 nan 0.000 0.475 264 G N 1.732 110.520 108.800 -0.021 0.000 2.339 264 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.209 264 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.209 264 G C 1.069 175.997 174.900 0.046 0.000 1.015 264 G CA 0.109 45.213 45.100 0.008 0.000 0.635 264 G HN 0.622 nan 8.290 nan 0.000 0.499 265 A N -0.363 122.496 122.820 0.065 0.000 1.972 265 A HA 0.481 4.801 4.320 -0.000 0.000 0.219 265 A C 1.131 178.786 177.584 0.120 0.000 1.169 265 A CA 2.151 54.254 52.037 0.109 0.000 0.635 265 A CB -0.037 19.037 19.000 0.122 0.000 0.810 265 A HN 1.218 nan 8.150 nan 0.000 0.446 266 V N 0.255 120.223 119.914 0.090 0.000 2.577 266 V HA 0.470 4.590 4.120 -0.000 0.000 0.303 266 V C -0.847 175.302 176.094 0.091 0.000 1.042 266 V CA -0.336 62.028 62.300 0.106 0.000 0.872 266 V CB 1.625 33.526 31.823 0.129 0.000 0.998 266 V HN 0.321 nan 8.190 nan 0.000 0.423 267 I N 3.850 124.454 120.570 0.056 0.000 2.465 267 I HA 0.471 4.641 4.170 -0.000 0.000 0.291 267 I C 0.733 176.852 176.117 0.004 0.000 1.014 267 I CA -0.404 60.917 61.300 0.035 0.000 1.093 267 I CB 2.651 40.666 38.000 0.024 0.000 1.267 267 I HN 0.774 nan 8.210 nan 0.000 0.431 268 T N 0.498 115.046 114.554 -0.010 0.000 2.754 268 T HA 0.179 4.529 4.350 -0.000 0.000 0.286 268 T C 0.966 175.646 174.700 -0.032 0.000 0.997 268 T CA -0.441 61.630 62.100 -0.049 0.000 0.982 268 T CB 1.044 69.871 68.868 -0.069 0.000 1.027 268 T HN 0.616 nan 8.240 nan 0.000 0.529 269 E N 0.265 120.442 120.200 -0.038 0.000 2.219 269 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 269 E C 1.237 177.827 176.600 -0.017 0.000 0.998 269 E CA 1.344 57.729 56.400 -0.024 0.000 0.818 269 E CB -0.011 29.674 29.700 -0.025 0.000 0.741 269 E HN 0.659 nan 8.360 nan 0.000 0.477 270 E N 0.128 120.316 120.200 -0.020 0.000 2.444 270 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 270 E C -0.513 176.084 176.600 -0.005 0.000 1.041 270 E CA 0.018 56.412 56.400 -0.010 0.000 0.883 270 E CB 0.331 30.026 29.700 -0.009 0.000 1.024 270 E HN 0.103 nan 8.360 nan 0.000 0.470 271 D N 0.388 120.785 120.400 -0.006 0.000 2.981 271 D HA -0.150 4.490 4.640 -0.000 0.000 0.223 271 D C -0.329 175.972 176.300 0.001 0.000 1.151 271 D CA 0.830 54.830 54.000 -0.001 0.000 0.827 271 D CB -0.580 40.219 40.800 -0.001 0.000 1.101 271 D HN 0.244 nan 8.370 nan 0.000 0.426 272 E N -0.164 120.037 120.200 0.002 0.000 2.227 272 E HA 0.557 4.907 4.350 -0.000 0.000 0.268 272 E C 0.631 177.250 176.600 0.031 0.000 0.990 272 E CA -0.763 55.643 56.400 0.010 0.000 0.856 272 E CB 1.340 31.043 29.700 0.005 0.000 1.159 272 E HN 0.167 nan 8.360 nan 0.000 0.401 273 I N 1.946 122.544 120.570 0.047 0.000 2.304 273 I HA 0.034 4.204 4.170 -0.000 0.000 0.291 273 I C 0.334 176.558 176.117 0.179 0.000 1.018 273 I CA -0.158 61.187 61.300 0.076 0.000 1.260 273 I CB 0.511 38.505 38.000 -0.009 0.000 1.390 273 I HN 0.208 nan 8.210 nan 0.000 0.475 274 H N 8.295 127.400 119.070 0.057 0.000 2.640 274 H HA 0.303 4.859 4.556 -0.000 0.000 0.297 274 H C -1.524 173.862 175.328 0.096 0.000 1.073 274 H CA -0.333 55.726 56.048 0.018 0.000 1.305 274 H CB 0.670 30.398 29.762 -0.057 0.000 1.404 274 H HN 0.591 nan 8.280 nan 0.000 0.459 275 Y N 1.009 121.092 120.300 -0.362 0.000 2.669 275 Y HA 0.392 4.942 4.550 -0.000 0.000 0.335 275 Y C -0.867 174.920 175.900 -0.189 0.000 1.116 275 Y CA -1.354 56.607 58.100 -0.231 0.000 1.081 275 Y CB 0.624 38.953 38.460 -0.218 0.000 1.297 275 Y HN 0.238 nan 8.280 nan 0.000 0.484 276 T N 2.518 117.090 114.554 0.030 0.000 2.737 276 T HA 0.182 4.532 4.350 -0.000 0.000 0.296 276 T C 0.429 175.191 174.700 0.104 0.000 0.922 276 T CA -0.209 61.882 62.100 -0.016 0.000 1.079 276 T CB 0.924 69.860 68.868 0.114 0.000 0.892 276 T HN 0.755 nan 8.240 nan 0.000 0.514 277 Q N 1.986 121.697 119.800 -0.148 0.000 2.200 277 Q HA 0.133 4.473 4.340 -0.000 0.000 0.197 277 Q C -0.031 176.171 176.000 0.336 0.000 0.953 277 Q CA 0.670 56.492 55.803 0.032 0.000 0.851 277 Q CB 0.419 29.066 28.738 -0.151 0.000 0.938 277 Q HN 0.868 nan 8.270 nan 0.000 0.488 278 Y N -2.416 117.963 120.300 0.131 0.000 2.588 278 Y HA 0.643 5.193 4.550 -0.000 0.000 0.343 278 Y C -1.326 174.620 175.900 0.076 0.000 1.065 278 Y CA -1.181 57.020 58.100 0.168 0.000 1.038 278 Y CB 1.452 40.019 38.460 0.178 0.000 1.297 278 Y HN -0.338 nan 8.280 nan 0.000 0.467 279 T N 2.662 117.313 114.554 0.162 0.000 2.881 279 T HA 0.632 4.982 4.350 -0.000 0.000 0.290 279 T C -0.993 173.945 174.700 0.397 0.000 1.000 279 T CA -0.742 61.404 62.100 0.077 0.000 0.978 279 T CB 1.134 69.910 68.868 -0.154 0.000 0.997 279 T HN 0.900 nan 8.240 nan 0.000 0.443 280 S N 1.426 117.351 115.700 0.375 0.000 2.599 280 S HA 0.906 5.376 4.470 -0.000 0.000 0.294 280 S C -1.024 173.547 174.600 -0.049 0.000 1.094 280 S CA -0.773 57.598 58.200 0.284 0.000 0.931 280 S CB 1.685 65.007 63.200 0.203 0.000 1.093 280 S HN 0.474 nan 8.310 nan 0.000 0.488 281 V N 2.004 121.799 119.914 -0.197 0.000 2.686 281 V HA 0.542 4.662 4.120 -0.000 0.000 0.306 281 V C -0.801 175.166 176.094 -0.211 0.000 1.065 281 V CA -0.535 61.589 62.300 -0.294 0.000 0.894 281 V CB 1.735 33.238 31.823 -0.533 0.000 1.004 281 V HN 0.991 nan 8.190 nan 0.000 0.424 282 M N 4.138 123.631 119.600 -0.178 0.000 2.321 282 M HA 0.469 4.949 4.480 -0.000 0.000 0.315 282 M C -0.862 175.439 176.300 0.001 0.000 1.052 282 M CA -0.224 55.013 55.300 -0.104 0.000 0.936 282 M CB 1.944 34.477 32.600 -0.112 0.000 1.639 282 M HN 0.722 nan 8.290 nan 0.000 0.433 283 C N 4.621 123.967 119.300 0.075 0.000 2.255 283 C HA 0.341 4.801 4.460 -0.000 0.000 0.326 283 C C 1.338 176.375 174.990 0.079 0.000 1.258 283 C CA -0.568 58.502 59.018 0.086 0.000 1.676 283 C CB -0.357 27.469 27.740 0.144 0.000 2.314 283 C HN 0.947 nan 8.230 nan 0.000 0.509 284 N N 2.756 121.503 118.700 0.077 0.000 2.166 284 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 284 N C 1.112 176.681 175.510 0.098 0.000 1.019 284 N CA 1.630 54.721 53.050 0.068 0.000 0.856 284 N CB 0.173 38.689 38.487 0.048 0.000 0.993 284 N HN 0.761 nan 8.380 nan 0.000 0.426 285 E N -0.273 119.998 120.200 0.118 0.000 2.112 285 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 285 E C 1.997 178.693 176.600 0.161 0.000 0.979 285 E CA 1.185 57.656 56.400 0.118 0.000 0.814 285 E CB -0.233 29.524 29.700 0.095 0.000 0.762 285 E HN 0.507 nan 8.360 nan 0.000 0.460 286 T N -3.885 110.770 114.554 0.169 0.000 3.040 286 T HA 0.283 4.633 4.350 -0.000 0.000 0.250 286 T C 1.618 176.483 174.700 0.276 0.000 1.058 286 T CA 0.326 62.552 62.100 0.210 0.000 0.988 286 T CB 0.375 69.333 68.868 0.150 0.000 0.993 286 T HN 0.224 nan 8.240 nan 0.000 0.519 287 G N 1.941 110.844 108.800 0.172 0.000 2.166 287 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 287 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 287 G C -0.107 174.728 174.900 -0.110 0.000 0.986 287 G CA -0.005 45.052 45.100 -0.072 0.000 0.683 287 G HN 0.610 nan 8.290 nan 0.000 0.527 288 N N -0.329 118.350 118.700 -0.035 0.000 2.514 288 N HA 0.455 5.195 4.740 -0.000 0.000 0.277 288 N C -0.667 174.776 175.510 -0.111 0.000 1.126 288 N CA -0.159 52.795 53.050 -0.160 0.000 0.978 288 N CB 0.855 39.224 38.487 -0.197 0.000 1.106 288 N HN 0.336 nan 8.380 nan 0.000 0.461 289 Y N 2.851 122.967 120.300 -0.307 0.000 2.345 289 Y HA 0.322 4.872 4.550 -0.000 0.000 0.331 289 Y C -1.157 174.688 175.900 -0.092 0.000 0.959 289 Y CA -0.789 57.254 58.100 -0.095 0.000 1.204 289 Y CB 0.315 38.741 38.460 -0.056 0.000 1.135 289 Y HN 0.428 nan 8.280 nan 0.000 0.477 290 Y N 6.279 126.614 120.300 0.060 0.000 2.453 290 Y HA 0.639 5.189 4.550 -0.000 0.000 0.326 290 Y C -0.637 175.533 175.900 0.450 0.000 1.186 290 Y CA -1.174 57.069 58.100 0.239 0.000 1.200 290 Y CB 1.359 39.928 38.460 0.181 0.000 1.247 290 Y HN 0.526 nan 8.280 nan 0.000 0.482 291 F N -0.554 119.705 119.950 0.515 0.000 2.725 291 F HA 0.572 5.099 4.527 -0.000 0.000 0.309 291 F C -1.364 174.597 175.800 0.269 0.000 1.132 291 F CA -1.062 57.195 58.000 0.428 0.000 0.957 291 F CB 1.293 40.534 39.000 0.402 0.000 1.286 291 F HN 0.641 nan 8.300 nan 0.000 0.440 292 H N -0.349 118.854 119.070 0.220 0.000 2.906 292 H HA 0.705 5.261 4.556 -0.000 0.000 0.337 292 H C -1.418 174.128 175.328 0.363 0.000 1.257 292 H CA -0.588 55.481 56.048 0.036 0.000 1.192 292 H CB 2.302 31.884 29.762 -0.299 0.000 1.912 292 H HN 1.000 nan 8.280 nan 0.000 0.573 293 H N -1.931 117.395 119.070 0.428 0.000 2.966 293 H HA 0.072 4.628 4.556 -0.000 0.000 0.330 293 H C -0.328 175.214 175.328 0.356 0.000 1.292 293 H CA -0.867 55.429 56.048 0.413 0.000 1.127 293 H CB 1.138 31.149 29.762 0.415 0.000 1.863 293 H HN 0.661 nan 8.280 nan 0.000 0.543 294 Y N 0.977 121.508 120.300 0.385 0.000 2.151 294 Y HA -0.214 4.336 4.550 -0.000 0.000 0.284 294 Y C 1.341 177.317 175.900 0.126 0.000 1.166 294 Y CA 2.410 60.672 58.100 0.270 0.000 1.163 294 Y CB -0.005 38.680 38.460 0.376 0.000 0.974 294 Y HN 0.598 nan 8.280 nan 0.000 0.511 295 D N -0.418 120.170 120.400 0.314 0.000 2.339 295 D HA 0.013 4.653 4.640 -0.000 0.000 0.217 295 D C -0.381 175.845 176.300 -0.122 0.000 1.050 295 D CA 0.426 54.514 54.000 0.147 0.000 0.856 295 D CB -0.129 40.859 40.800 0.314 0.000 0.922 295 D HN 0.200 nan 8.370 nan 0.000 0.518 296 N N 0.343 118.795 118.700 -0.413 0.000 2.572 296 N HA 0.102 4.842 4.740 -0.000 0.000 0.287 296 N C 0.460 175.769 175.510 -0.336 0.000 1.136 296 N CA -0.350 52.485 53.050 -0.358 0.000 0.900 296 N CB 1.110 39.351 38.487 -0.410 0.000 1.484 296 N HN -0.292 nan 8.380 nan 0.000 0.526 297 R N 0.997 121.329 120.500 -0.280 0.000 2.148 297 R HA -0.056 4.284 4.340 -0.000 0.000 0.227 297 R C 0.366 176.468 176.300 -0.330 0.000 1.103 297 R CA 0.620 56.497 56.100 -0.370 0.000 0.983 297 R CB 0.149 30.273 30.300 -0.293 0.000 0.874 297 R HN 0.591 nan 8.270 nan 0.000 0.451 298 Q N 1.632 121.305 119.800 -0.211 0.000 2.311 298 Q HA 0.061 4.401 4.340 -0.000 0.000 0.272 298 Q C -0.525 175.383 176.000 -0.153 0.000 1.012 298 Q CA -0.060 55.649 55.803 -0.158 0.000 0.891 298 Q CB 0.604 29.281 28.738 -0.102 0.000 1.201 298 Q HN 0.131 nan 8.270 nan 0.000 0.391 299 I N 3.958 124.462 120.570 -0.110 0.000 2.710 299 I HA -0.094 4.076 4.170 -0.000 0.000 0.286 299 I C 0.395 176.453 176.117 -0.098 0.000 1.181 299 I CA 0.570 61.841 61.300 -0.047 0.000 1.430 299 I CB 0.443 38.527 38.000 0.141 0.000 1.367 299 I HN 0.608 nan 8.210 nan 0.000 0.577 300 Q N 6.104 125.728 119.800 -0.292 0.000 2.301 300 Q HA 0.577 4.917 4.340 -0.000 0.000 0.267 300 Q C -0.732 175.126 176.000 -0.237 0.000 1.035 300 Q CA -1.017 54.544 55.803 -0.405 0.000 0.856 300 Q CB 2.899 31.115 28.738 -0.871 0.000 1.337 300 Q HN 0.441 nan 8.270 nan 0.000 0.450 301 K N 1.036 121.361 120.400 -0.125 0.000 2.501 301 K HA 0.521 4.841 4.320 -0.000 0.000 0.252 301 K C -1.813 174.695 176.600 -0.154 0.000 0.934 301 K CA -0.505 55.693 56.287 -0.149 0.000 0.797 301 K CB 1.928 34.281 32.500 -0.245 0.000 1.270 301 K HN 0.412 nan 8.250 nan 0.000 0.431 302 V N 3.782 123.581 119.914 -0.191 0.000 2.495 302 V HA 0.345 4.465 4.120 -0.000 0.000 0.298 302 V C -0.562 175.281 176.094 -0.418 0.000 1.031 302 V CA -1.013 61.055 62.300 -0.387 0.000 0.871 302 V CB 1.761 33.264 31.823 -0.533 0.000 0.988 302 V HN 0.774 nan 8.190 nan 0.000 0.432 303 N N 3.957 122.340 118.700 -0.528 0.000 2.426 303 N HA 0.190 4.930 4.740 -0.000 0.000 0.257 303 N C 0.787 176.009 175.510 -0.479 0.000 1.002 303 N CA -0.537 52.172 53.050 -0.569 0.000 0.942 303 N CB 2.560 40.377 38.487 -1.116 0.000 1.112 303 N HN 0.592 nan 8.380 nan 0.000 0.499 304 L N 2.604 123.577 121.223 -0.416 0.000 2.079 304 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 304 L C 1.067 177.747 176.870 -0.318 0.000 1.081 304 L CA 1.914 56.486 54.840 -0.446 0.000 0.752 304 L CB -0.328 41.328 42.059 -0.672 0.000 0.896 304 L HN 0.434 nan 8.230 nan 0.000 0.433 305 F N -1.371 118.538 119.950 -0.069 0.000 2.797 305 F HA 0.081 4.608 4.527 -0.000 0.000 0.302 305 F C 2.022 177.909 175.800 0.146 0.000 1.130 305 F CA 0.449 58.470 58.000 0.035 0.000 1.387 305 F CB -0.666 38.363 39.000 0.047 0.000 1.107 305 F HN 0.268 nan 8.300 nan 0.000 0.577 306 H N -1.187 117.955 119.070 0.120 0.000 2.547 306 H HA 0.060 4.616 4.556 -0.000 0.000 0.266 306 H C 0.548 175.923 175.328 0.078 0.000 0.988 306 H CA -0.155 55.943 56.048 0.083 0.000 1.147 306 H CB 0.386 30.171 29.762 0.039 0.000 1.365 306 H HN 0.079 nan 8.280 nan 0.000 0.589 307 E N 1.117 121.433 120.200 0.194 0.000 2.250 307 E HA 0.036 4.386 4.350 -0.000 0.000 0.265 307 E C -0.455 176.213 176.600 0.114 0.000 1.033 307 E CA -0.544 55.945 56.400 0.148 0.000 0.888 307 E CB 1.161 30.942 29.700 0.134 0.000 1.151 307 E HN 0.161 nan 8.360 nan 0.000 0.412 308 D N 1.486 121.936 120.400 0.083 0.000 2.336 308 D HA 0.047 4.687 4.640 -0.000 0.000 0.249 308 D C 0.701 177.027 176.300 0.043 0.000 1.213 308 D CA 0.001 54.037 54.000 0.060 0.000 0.870 308 D CB 0.317 41.142 40.800 0.041 0.000 1.076 308 D HN 0.292 nan 8.370 nan 0.000 0.483 309 L N 2.573 123.829 121.223 0.055 0.000 2.478 309 L HA 0.036 4.376 4.340 -0.000 0.000 0.223 309 L C 0.938 177.817 176.870 0.013 0.000 1.140 309 L CA 0.436 55.297 54.840 0.034 0.000 0.842 309 L CB 0.067 42.170 42.059 0.075 0.000 0.953 309 L HN 0.348 nan 8.230 nan 0.000 0.452 310 D N -0.773 119.639 120.400 0.020 0.000 2.328 310 D HA 0.018 4.658 4.640 -0.000 0.000 0.221 310 D C 0.756 177.058 176.300 0.002 0.000 1.072 310 D CA 0.037 54.044 54.000 0.011 0.000 0.850 310 D CB -0.011 40.800 40.800 0.017 0.000 0.922 310 D HN 0.192 nan 8.370 nan 0.000 0.516 311 C N 1.005 120.301 119.300 -0.007 0.000 2.591 311 C HA -0.181 4.279 4.460 -0.000 0.000 0.391 311 C C 1.899 176.881 174.990 -0.013 0.000 1.324 311 C CA -0.081 58.925 59.018 -0.019 0.000 1.675 311 C CB 0.052 27.766 27.740 -0.044 0.000 2.600 311 C HN 0.244 nan 8.230 nan 0.000 0.609 312 L N 2.506 123.729 121.223 -0.000 0.000 2.477 312 L HA 0.245 4.585 4.340 -0.000 0.000 0.220 312 L C 1.049 177.976 176.870 0.093 0.000 1.106 312 L CA 1.363 56.229 54.840 0.043 0.000 0.851 312 L CB -0.767 41.309 42.059 0.029 0.000 0.994 312 L HN 0.906 nan 8.230 nan 0.000 0.462 313 E N -2.628 117.567 120.200 -0.008 0.000 2.430 313 E HA 0.476 4.826 4.350 -0.000 0.000 0.279 313 E C -2.765 173.684 176.600 -0.251 0.000 1.003 313 E CA -2.244 54.114 56.400 -0.069 0.000 0.801 313 E CB 0.688 30.404 29.700 0.027 0.000 1.313 313 E HN -0.275 nan 8.360 nan 0.000 0.459 314 P HA 0.074 nan 4.420 nan 0.000 0.269 314 P C -1.190 175.981 177.300 -0.215 0.000 1.209 314 P CA -0.188 62.727 63.100 -0.308 0.000 0.776 314 P CB 0.470 32.034 31.700 -0.227 0.000 0.876 315 K N 1.662 121.926 120.400 -0.226 0.000 2.345 315 K HA 0.488 4.808 4.320 -0.000 0.000 0.255 315 K C -1.390 174.919 176.600 -0.485 0.000 0.934 315 K CA -0.804 55.274 56.287 -0.349 0.000 0.801 315 K CB 1.164 33.442 32.500 -0.370 0.000 1.137 315 K HN 0.108 nan 8.250 nan 0.000 0.424 316 V N 5.002 124.604 119.914 -0.519 0.000 2.427 316 V HA 0.424 4.544 4.120 -0.000 0.000 0.286 316 V C -0.910 174.815 176.094 -0.616 0.000 1.034 316 V CA -0.619 61.440 62.300 -0.402 0.000 0.893 316 V CB 0.975 32.662 31.823 -0.227 0.000 0.982 316 V HN 0.602 nan 8.190 nan 0.000 0.452 317 F N 3.164 123.075 119.950 -0.064 0.000 2.311 317 F HA 0.426 4.953 4.527 -0.000 0.000 0.371 317 F C 0.812 176.613 175.800 0.002 0.000 1.083 317 F CA -0.484 57.504 58.000 -0.020 0.000 1.113 317 F CB 1.329 40.326 39.000 -0.005 0.000 1.349 317 F HN 0.487 nan 8.300 nan 0.000 0.470 318 S N 1.944 117.708 115.700 0.106 0.000 2.586 318 S HA 0.822 5.292 4.470 -0.000 0.000 0.274 318 S C 0.024 174.717 174.600 0.155 0.000 1.281 318 S CA -0.812 57.439 58.200 0.086 0.000 1.035 318 S CB 1.526 64.737 63.200 0.018 0.000 0.962 318 S HN 0.692 nan 8.310 nan 0.000 0.512 319 A N 2.852 125.775 122.820 0.172 0.000 2.302 319 A HA 0.482 4.801 4.320 -0.000 0.000 0.285 319 A C 0.479 178.178 177.584 0.191 0.000 1.105 319 A CA -0.741 51.458 52.037 0.270 0.000 0.816 319 A CB 0.259 19.486 19.000 0.378 0.000 1.067 319 A HN 0.790 nan 8.150 nan 0.000 0.489 320 K N 1.353 121.871 120.400 0.196 0.000 2.436 320 K HA 0.180 4.500 4.320 -0.000 0.000 0.282 320 K C 0.926 177.691 176.600 0.275 0.000 1.044 320 K CA 0.722 57.111 56.287 0.170 0.000 1.028 320 K CB 0.739 33.308 32.500 0.115 0.000 0.919 320 K HN 0.716 nan 8.250 nan 0.000 0.474 321 A N 5.079 128.027 122.820 0.212 0.000 2.095 321 A HA 0.019 4.339 4.320 -0.000 0.000 0.212 321 A C 0.361 178.120 177.584 0.291 0.000 1.162 321 A CA 0.558 52.758 52.037 0.272 0.000 0.753 321 A CB 0.154 19.236 19.000 0.137 0.000 0.840 321 A HN 0.747 nan 8.150 nan 0.000 0.468 322 E N -0.107 120.194 120.200 0.167 0.000 2.303 322 E HA 0.388 4.738 4.350 -0.000 0.000 0.254 322 E C -1.070 175.561 176.600 0.052 0.000 0.979 322 E CA -0.951 55.514 56.400 0.109 0.000 0.843 322 E CB 0.424 30.168 29.700 0.072 0.000 1.245 322 E HN 0.075 nan 8.360 nan 0.000 0.413 323 E N 0.993 121.205 120.200 0.020 0.000 2.299 323 E HA 0.033 4.383 4.350 -0.000 0.000 0.272 323 E C -0.815 175.779 176.600 -0.010 0.000 1.043 323 E CA 0.083 56.469 56.400 -0.022 0.000 0.895 323 E CB 0.539 30.223 29.700 -0.026 0.000 1.011 323 E HN 0.383 nan 8.360 nan 0.000 0.432 324 S N 5.710 121.397 115.700 -0.022 0.000 2.411 324 S HA 0.333 4.803 4.470 -0.000 0.000 0.304 324 S C -0.182 174.421 174.600 0.005 0.000 1.098 324 S CA -0.658 57.542 58.200 -0.001 0.000 1.068 324 S CB -0.367 62.828 63.200 -0.007 0.000 1.032 324 S HN 0.481 nan 8.310 nan 0.000 0.511 325 I N 5.451 126.033 120.570 0.020 0.000 2.354 325 I HA 0.245 4.415 4.170 -0.000 0.000 0.292 325 I C 0.514 176.671 176.117 0.067 0.000 0.989 325 I CA -0.703 60.613 61.300 0.026 0.000 1.188 325 I CB 1.205 39.205 38.000 0.001 0.000 1.342 325 I HN 0.639 nan 8.210 nan 0.000 0.457 326 H N 7.490 126.547 119.070 -0.023 0.000 2.782 326 H HA 0.233 4.789 4.556 -0.000 0.000 0.285 326 H C -0.666 174.654 175.328 -0.014 0.000 1.093 326 H CA -0.498 55.540 56.048 -0.016 0.000 1.410 326 H CB 0.746 30.497 29.762 -0.017 0.000 1.439 326 H HN 0.582 nan 8.280 nan 0.000 0.469 327 E N 6.315 126.274 120.200 -0.401 0.000 2.194 327 E HA 0.041 4.391 4.350 -0.000 0.000 0.284 327 E C 0.803 177.156 176.600 -0.411 0.000 1.035 327 E CA -0.376 55.847 56.400 -0.294 0.000 0.836 327 E CB 1.798 31.398 29.700 -0.167 0.000 1.070 327 E HN 0.700 nan 8.360 nan 0.000 0.401 328 L N 2.644 123.707 121.223 -0.266 0.000 2.492 328 L HA -0.029 4.311 4.340 -0.000 0.000 0.223 328 L C 0.662 177.466 176.870 -0.110 0.000 1.132 328 L CA 0.342 55.071 54.840 -0.186 0.000 0.850 328 L CB -0.326 41.679 42.059 -0.089 0.000 0.966 328 L HN 0.558 nan 8.230 nan 0.000 0.454 329 N N 0.000 118.641 118.700 -0.098 0.000 1.763 329 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 329 N CA 0.000 53.012 53.050 -0.063 0.000 0.885 329 N CB 0.000 38.461 38.487 -0.043 0.000 1.341 329 N HN 0.000 nan 8.380 nan 0.000 0.667