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 2vdl_1_A DATA FIRST_RESID 1 DATA SEQUENCE LNLDPVQLTF YAGPNGSQFG FSLDFHKDSH GRVAIVVGAP RTLGPSQEET DATA SEQUENCE GGVFLcPWRA EGGQcPSLLF DLRDETRNVG SQTLQTFKAR QGLGASVVSW DATA SEQUENCE SDVIVAcAPW QHWNVLEKTE EAEKTPVGSc FLAQPESGRR AEYSPcRGNT DATA SEQUENCE LSRIYVENDF SWDKRYcEAG FSSVVTQAGE LVLGAPGGYY FLGLLAQAPV DATA SEQUENCE ADIFSSYRPG ILLWHVSSQS LSFDSSNPEY FDGYWGYSVA VGEFDGDLNT DATA SEQUENCE TEYVVGAPTW SWTLGAVEIL DSYYQRLHRL RGEQMASYFG HSVAVTDVNG DATA SEQUENCE DGRHDLLVGA PLYMESRADR KLAEVGRVYL FLQPRGPHAL GAPSLLLTGT DATA SEQUENCE QLYGRFGSAI APLGDLDRDG YNDIAVAAPY GGPSGRGQVL VFLGQSEGLR DATA SEQUENCE SRPSQVLDSP FPTGSAFGFS LRGAVDIDDN GYPDLIVGAY GANQVAVYRA DATA SEQUENCE QP 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.873 176.870 0.005 0.000 1.165 1 L CA 0.000 54.845 54.840 0.009 0.000 0.813 1 L CB 0.000 42.077 42.059 0.029 0.000 0.961 2 N N 1.172 119.881 118.700 0.015 0.000 2.750 2 N HA 0.352 5.092 4.740 -0.000 0.000 0.253 2 N C -1.361 174.153 175.510 0.007 0.000 1.408 2 N CA -0.274 52.776 53.050 -0.000 0.000 0.780 2 N CB 1.054 39.528 38.487 -0.022 0.000 1.191 2 N HN 0.198 nan 8.380 nan 0.000 0.511 3 L N 0.498 121.733 121.223 0.019 0.000 2.322 3 L HA 0.329 4.669 4.340 -0.000 0.000 0.281 3 L C 0.039 176.959 176.870 0.082 0.000 1.014 3 L CA -0.782 54.091 54.840 0.056 0.000 0.815 3 L CB 2.040 44.128 42.059 0.048 0.000 1.247 3 L HN 0.283 nan 8.230 nan 0.000 0.421 4 D N 5.598 126.061 120.400 0.104 0.000 2.339 4 D HA 0.105 4.745 4.640 -0.000 0.000 0.256 4 D C -1.729 174.681 176.300 0.184 0.000 1.214 4 D CA -1.259 52.798 54.000 0.095 0.000 0.877 4 D CB 1.743 42.573 40.800 0.050 0.000 1.111 4 D HN 0.281 nan 8.370 nan 0.000 0.478 5 P HA -0.004 nan 4.420 nan 0.000 0.245 5 P C 1.291 178.656 177.300 0.110 0.000 1.203 5 P CA 0.026 63.264 63.100 0.229 0.000 0.792 5 P CB 0.789 32.576 31.700 0.145 0.000 0.997 6 V N 0.151 120.094 119.914 0.047 0.000 2.426 6 V HA -0.029 4.091 4.120 -0.000 0.000 0.242 6 V C 1.482 177.553 176.094 -0.038 0.000 1.036 6 V CA 1.324 63.626 62.300 0.005 0.000 1.044 6 V CB -0.932 30.893 31.823 0.004 0.000 0.688 6 V HN 0.072 nan 8.190 nan 0.000 0.462 7 Q N 1.615 121.392 119.800 -0.038 0.000 3.181 7 Q HA 0.347 4.687 4.340 -0.000 0.000 0.293 7 Q C -0.371 175.546 176.000 -0.138 0.000 1.406 7 Q CA 0.164 55.927 55.803 -0.066 0.000 1.026 7 Q CB -0.021 28.703 28.738 -0.022 0.000 1.630 7 Q HN 0.516 nan 8.270 nan 0.000 0.553 8 L N 0.211 121.265 121.223 -0.281 0.000 2.456 8 L HA 0.444 4.784 4.340 -0.000 0.000 0.257 8 L C 0.503 177.047 176.870 -0.545 0.000 1.162 8 L CA -0.237 54.285 54.840 -0.530 0.000 0.808 8 L CB 0.645 42.185 42.059 -0.865 0.000 1.136 8 L HN 0.070 nan 8.230 nan 0.000 0.466 9 T N 0.774 115.005 114.554 -0.539 0.000 2.848 9 T HA 0.549 4.899 4.350 -0.000 0.000 0.285 9 T C -0.775 173.639 174.700 -0.477 0.000 0.995 9 T CA -0.309 61.529 62.100 -0.436 0.000 0.970 9 T CB 0.917 69.719 68.868 -0.109 0.000 0.976 9 T HN 0.148 nan 8.240 nan 0.000 0.441 10 F N 2.293 122.176 119.950 -0.112 0.000 2.444 10 F HA 0.538 5.065 4.527 -0.000 0.000 0.342 10 F C -0.440 175.283 175.800 -0.127 0.000 1.121 10 F CA -1.069 56.939 58.000 0.013 0.000 0.997 10 F CB 1.190 40.231 39.000 0.068 0.000 1.130 10 F HN 0.489 nan 8.300 nan 0.000 0.454 11 Y N 2.012 122.529 120.300 0.363 0.000 2.341 11 Y HA 0.669 5.219 4.550 -0.000 0.000 0.337 11 Y C 0.078 176.061 175.900 0.139 0.000 1.014 11 Y CA -0.974 57.276 58.100 0.249 0.000 1.111 11 Y CB 1.790 40.459 38.460 0.350 0.000 1.194 11 Y HN 0.628 nan 8.280 nan 0.000 0.462 12 A N 2.021 124.790 122.820 -0.084 0.000 2.342 12 A HA 0.850 5.170 4.320 -0.000 0.000 0.323 12 A C 0.026 176.927 177.584 -1.138 0.000 1.125 12 A CA -0.188 51.585 52.037 -0.440 0.000 0.785 12 A CB 0.815 19.681 19.000 -0.222 0.000 1.221 12 A HN 0.857 nan 8.150 nan 0.000 0.463 13 G N 0.626 108.563 108.800 -1.439 0.000 2.820 13 G HA2 0.709 4.669 3.960 -0.000 0.000 0.291 13 G HA3 0.709 4.669 3.960 -0.000 0.000 0.291 13 G C -2.993 171.628 174.900 -0.465 0.000 1.323 13 G CA -1.784 42.567 45.100 -1.249 0.000 1.055 13 G HN 0.519 nan 8.290 nan 0.000 0.520 14 P HA 0.129 nan 4.420 nan 0.000 0.272 14 P C -0.334 176.944 177.300 -0.036 0.000 1.223 14 P CA -0.581 62.467 63.100 -0.087 0.000 0.784 14 P CB 0.461 32.169 31.700 0.014 0.000 0.923 15 N N 1.307 119.990 118.700 -0.028 0.000 2.357 15 N HA 0.200 4.939 4.740 -0.000 0.000 0.257 15 N C 1.537 177.059 175.510 0.021 0.000 1.250 15 N CA 1.904 54.949 53.050 -0.008 0.000 0.862 15 N CB -0.467 38.014 38.487 -0.011 0.000 1.066 15 N HN 0.733 nan 8.380 nan 0.000 0.468 16 G N 0.604 109.424 108.800 0.034 0.000 2.168 16 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.263 16 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.263 16 G C 0.883 175.826 174.900 0.072 0.000 0.977 16 G CA 0.913 46.042 45.100 0.048 0.000 0.659 16 G HN 0.730 nan 8.290 nan 0.000 0.533 17 S N -0.825 114.936 115.700 0.101 0.000 2.524 17 S HA 0.222 4.692 4.470 -0.000 0.000 0.216 17 S C 1.234 175.940 174.600 0.178 0.000 0.987 17 S CA 1.160 59.447 58.200 0.145 0.000 0.909 17 S CB -0.111 63.206 63.200 0.194 0.000 0.781 17 S HN 1.038 nan 8.310 nan 0.000 0.521 18 Q N -0.228 119.693 119.800 0.200 0.000 2.481 18 Q HA -0.200 4.140 4.340 -0.000 0.000 0.272 18 Q C -0.531 175.659 176.000 0.316 0.000 1.157 18 Q CA 0.505 56.473 55.803 0.276 0.000 0.935 18 Q CB -2.419 26.412 28.738 0.154 0.000 1.338 18 Q HN 0.747 nan 8.270 nan 0.000 0.494 19 F N 0.832 120.864 119.950 0.137 0.000 2.569 19 F HA 0.218 4.745 4.527 -0.000 0.000 0.395 19 F C 1.422 177.304 175.800 0.135 0.000 1.028 19 F CA 2.070 60.138 58.000 0.113 0.000 1.158 19 F CB 0.290 39.274 39.000 -0.026 0.000 1.023 19 F HN 0.299 nan 8.300 nan 0.000 0.547 20 G N 4.908 113.604 108.800 -0.175 0.000 2.184 20 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.206 20 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.206 20 G C 0.662 175.651 174.900 0.148 0.000 0.995 20 G CA 0.077 45.147 45.100 -0.051 0.000 0.651 20 G HN 0.727 nan 8.290 nan 0.000 0.511 21 F N 2.568 122.555 119.950 0.062 0.000 2.171 21 F HA 0.222 4.749 4.527 -0.000 0.000 0.300 21 F C 1.517 177.380 175.800 0.105 0.000 1.090 21 F CA 2.258 60.295 58.000 0.061 0.000 1.293 21 F CB 0.199 39.130 39.000 -0.114 0.000 1.013 21 F HN 0.565 nan 8.300 nan 0.000 0.486 22 S N -0.057 115.733 115.700 0.150 0.000 2.564 22 S HA 0.718 5.188 4.470 -0.000 0.000 0.274 22 S C -1.250 173.323 174.600 -0.045 0.000 1.124 22 S CA -0.638 57.578 58.200 0.027 0.000 0.869 22 S CB 2.378 65.623 63.200 0.073 0.000 1.105 22 S HN 0.256 nan 8.310 nan 0.000 0.472 23 L N -1.158 120.013 121.223 -0.087 0.000 2.671 23 L HA 1.008 5.348 4.340 -0.000 0.000 0.259 23 L C -1.377 175.401 176.870 -0.152 0.000 1.021 23 L CA -0.568 54.190 54.840 -0.137 0.000 0.871 23 L CB 0.882 42.831 42.059 -0.184 0.000 1.472 23 L HN 0.815 nan 8.230 nan 0.000 0.410 24 D N -0.732 119.558 120.400 -0.184 0.000 2.653 24 D HA 0.588 5.227 4.640 -0.000 0.000 0.258 24 D C -1.656 174.513 176.300 -0.218 0.000 1.252 24 D CA -0.272 53.622 54.000 -0.176 0.000 0.777 24 D CB 1.565 42.360 40.800 -0.008 0.000 1.339 24 D HN 0.364 nan 8.370 nan 0.000 0.422 25 F N 1.328 121.313 119.950 0.059 0.000 2.412 25 F HA 0.378 4.905 4.527 -0.000 0.000 0.348 25 F C 0.553 176.422 175.800 0.115 0.000 1.102 25 F CA -0.147 57.890 58.000 0.063 0.000 1.196 25 F CB 0.827 39.841 39.000 0.023 0.000 1.144 25 F HN 0.240 nan 8.300 nan 0.000 0.541 26 H N 2.506 121.694 119.070 0.197 0.000 2.589 26 H HA 0.408 4.964 4.556 -0.000 0.000 0.351 26 H C -1.238 174.151 175.328 0.101 0.000 1.074 26 H CA -1.004 55.118 56.048 0.123 0.000 1.203 26 H CB 1.364 31.182 29.762 0.093 0.000 1.558 26 H HN 0.592 nan 8.280 nan 0.000 0.522 27 K N 4.033 124.068 120.400 -0.608 0.000 2.274 27 K HA 0.212 4.531 4.320 -0.000 0.000 0.262 27 K C -0.752 175.489 176.600 -0.599 0.000 0.961 27 K CA -0.931 55.096 56.287 -0.433 0.000 0.833 27 K CB 0.767 33.129 32.500 -0.229 0.000 1.102 27 K HN 0.846 nan 8.250 nan 0.000 0.436 28 D N 2.019 122.236 120.400 -0.305 0.000 2.414 28 D HA -0.043 4.597 4.640 -0.000 0.000 0.251 28 D C 1.016 177.255 176.300 -0.102 0.000 1.252 28 D CA -0.199 53.726 54.000 -0.125 0.000 0.999 28 D CB 0.706 41.543 40.800 0.061 0.000 1.093 28 D HN 0.435 nan 8.370 nan 0.000 0.515 29 S N -0.683 114.966 115.700 -0.086 0.000 2.383 29 S HA -0.284 4.186 4.470 -0.000 0.000 0.229 29 S C 1.718 176.211 174.600 -0.179 0.000 1.030 29 S CA 1.375 59.475 58.200 -0.167 0.000 1.002 29 S CB -1.085 61.977 63.200 -0.230 0.000 0.829 29 S HN 0.617 nan 8.310 nan 0.000 0.467 30 H N 1.602 120.646 119.070 -0.043 0.000 2.456 30 H HA 0.264 4.820 4.556 -0.000 0.000 0.296 30 H C 1.940 177.243 175.328 -0.040 0.000 1.079 30 H CA 1.138 57.167 56.048 -0.032 0.000 1.322 30 H CB -0.341 29.414 29.762 -0.013 0.000 1.388 30 H HN 0.655 nan 8.280 nan 0.000 0.538 31 G N -0.254 108.574 108.800 0.047 0.000 2.192 31 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.193 31 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.193 31 G C 0.271 175.169 174.900 -0.003 0.000 0.999 31 G CA -0.156 44.939 45.100 -0.009 0.000 0.659 31 G HN 0.350 nan 8.290 nan 0.000 0.503 32 R N 1.191 121.713 120.500 0.036 0.000 2.370 32 R HA 0.502 4.842 4.340 -0.000 0.000 0.309 32 R C 0.423 176.742 176.300 0.032 0.000 1.059 32 R CA 0.034 56.163 56.100 0.048 0.000 0.981 32 R CB 0.560 30.905 30.300 0.075 0.000 0.972 32 R HN 0.144 nan 8.270 nan 0.000 0.437 33 V N 4.877 124.813 119.914 0.037 0.000 2.530 33 V HA 0.564 4.684 4.120 -0.000 0.000 0.282 33 V C 0.521 176.708 176.094 0.154 0.000 1.048 33 V CA 0.237 62.566 62.300 0.049 0.000 0.997 33 V CB 0.817 32.629 31.823 -0.018 0.000 0.987 33 V HN 0.984 nan 8.190 nan 0.000 0.477 34 A N 5.589 128.521 122.820 0.187 0.000 2.437 34 A HA 0.940 5.260 4.320 -0.000 0.000 0.288 34 A C -0.892 176.827 177.584 0.225 0.000 1.201 34 A CA -0.772 51.399 52.037 0.223 0.000 0.795 34 A CB 1.317 20.446 19.000 0.215 0.000 1.359 34 A HN 0.680 nan 8.150 nan 0.000 0.435 35 I N 0.552 121.193 120.570 0.118 0.000 2.410 35 I HA 0.355 4.525 4.170 -0.000 0.000 0.286 35 I C -0.517 175.595 176.117 -0.009 0.000 1.009 35 I CA -0.778 60.527 61.300 0.009 0.000 1.111 35 I CB 1.774 39.702 38.000 -0.121 0.000 1.262 35 I HN 0.352 nan 8.210 nan 0.000 0.443 36 V N 8.407 128.322 119.914 0.003 0.000 2.461 36 V HA 0.426 4.546 4.120 -0.000 0.000 0.275 36 V C -0.325 175.730 176.094 -0.065 0.000 1.047 36 V CA 0.011 62.312 62.300 0.002 0.000 0.955 36 V CB 1.507 33.342 31.823 0.019 0.000 0.988 36 V HN 0.457 nan 8.190 nan 0.000 0.471 37 V N 6.408 126.288 119.914 -0.058 0.000 2.531 37 V HA 0.680 4.800 4.120 -0.000 0.000 0.301 37 V C 0.617 176.666 176.094 -0.075 0.000 1.034 37 V CA -0.185 61.994 62.300 -0.202 0.000 0.865 37 V CB 1.584 33.049 31.823 -0.598 0.000 0.995 37 V HN 0.990 nan 8.190 nan 0.000 0.424 38 G N 2.599 111.360 108.800 -0.066 0.000 2.377 38 G HA2 0.627 4.587 3.960 -0.000 0.000 0.299 38 G HA3 0.627 4.587 3.960 -0.000 0.000 0.299 38 G C -0.204 174.743 174.900 0.078 0.000 1.150 38 G CA -0.088 45.031 45.100 0.031 0.000 0.847 38 G HN 1.235 nan 8.290 nan 0.000 0.501 39 A N 3.803 126.716 122.820 0.154 0.000 3.266 39 A HA 0.632 4.952 4.320 -0.000 0.000 0.310 39 A C -1.650 176.006 177.584 0.121 0.000 1.066 39 A CA -1.003 51.173 52.037 0.232 0.000 0.839 39 A CB 1.460 20.782 19.000 0.538 0.000 1.192 39 A HN 0.433 nan 8.150 nan 0.000 0.496 40 P HA -0.077 nan 4.420 nan 0.000 0.234 40 P C 0.600 177.883 177.300 -0.028 0.000 1.167 40 P CA 0.805 63.865 63.100 -0.067 0.000 0.763 40 P CB 0.160 31.711 31.700 -0.247 0.000 0.835 41 R N -0.910 119.593 120.500 0.004 0.000 2.577 41 R HA 0.200 4.540 4.340 -0.000 0.000 0.344 41 R C 0.092 176.427 176.300 0.059 0.000 1.037 41 R CA -0.058 56.051 56.100 0.015 0.000 1.102 41 R CB 0.136 30.432 30.300 -0.007 0.000 1.313 41 R HN 0.052 nan 8.270 nan 0.000 0.561 42 T N 2.384 116.997 114.554 0.098 0.000 2.902 42 T HA 0.096 4.445 4.350 -0.000 0.000 0.301 42 T C 0.667 175.411 174.700 0.074 0.000 1.012 42 T CA 0.207 62.382 62.100 0.126 0.000 1.151 42 T CB 0.800 69.778 68.868 0.184 0.000 0.946 42 T HN 0.104 nan 8.240 nan 0.000 0.542 43 L N 2.992 124.257 121.223 0.069 0.000 2.416 43 L HA 0.337 4.677 4.340 -0.000 0.000 0.272 43 L C 1.495 178.389 176.870 0.040 0.000 1.161 43 L CA -0.473 54.395 54.840 0.046 0.000 0.845 43 L CB 0.095 42.178 42.059 0.041 0.000 1.119 43 L HN 0.781 nan 8.230 nan 0.000 0.464 44 G N 2.795 111.612 108.800 0.028 0.000 2.611 44 G HA2 0.192 4.152 3.960 -0.000 0.000 0.273 44 G HA3 0.192 4.152 3.960 -0.000 0.000 0.273 44 G C -1.438 173.475 174.900 0.021 0.000 1.305 44 G CA -0.651 44.460 45.100 0.019 0.000 1.010 44 G HN 0.589 nan 8.290 nan 0.000 0.509 45 P HA 0.028 nan 4.420 nan 0.000 0.226 45 P C 0.938 178.249 177.300 0.018 0.000 1.153 45 P CA 0.761 63.871 63.100 0.017 0.000 0.777 45 P CB 0.421 32.129 31.700 0.013 0.000 0.794 46 S N -0.504 115.208 115.700 0.020 0.000 2.583 46 S HA 0.153 4.623 4.470 -0.000 0.000 0.239 46 S C 0.624 175.236 174.600 0.020 0.000 0.966 46 S CA -0.317 57.895 58.200 0.020 0.000 0.973 46 S CB -0.228 62.986 63.200 0.023 0.000 0.794 46 S HN 0.124 nan 8.310 nan 0.000 0.463 47 Q N 0.263 120.076 119.800 0.021 0.000 2.416 47 Q HA -0.227 4.113 4.340 -0.000 0.000 0.235 47 Q C -0.098 175.914 176.000 0.019 0.000 0.773 47 Q CA 1.051 56.866 55.803 0.020 0.000 1.286 47 Q CB -0.869 27.879 28.738 0.016 0.000 1.556 47 Q HN 0.693 nan 8.270 nan 0.000 0.650 48 E N 0.638 120.851 120.200 0.022 0.000 2.191 48 E HA 0.232 4.582 4.350 -0.000 0.000 0.278 48 E C -0.782 175.833 176.600 0.026 0.000 0.972 48 E CA -0.395 56.018 56.400 0.023 0.000 0.804 48 E CB 0.908 30.625 29.700 0.028 0.000 1.110 48 E HN 0.122 nan 8.360 nan 0.000 0.394 49 E N 1.617 121.830 120.200 0.021 0.000 2.480 49 E HA -0.042 4.308 4.350 -0.000 0.000 0.258 49 E C 0.303 176.923 176.600 0.034 0.000 0.984 49 E CA 0.705 57.119 56.400 0.023 0.000 0.930 49 E CB 0.619 30.325 29.700 0.009 0.000 0.936 49 E HN 0.623 nan 8.360 nan 0.000 0.466 50 T N 0.043 114.617 114.554 0.032 0.000 3.009 50 T HA 0.353 4.703 4.350 -0.000 0.000 0.267 50 T C 0.765 175.472 174.700 0.013 0.000 0.942 50 T CA 0.025 62.145 62.100 0.033 0.000 0.883 50 T CB 0.655 69.533 68.868 0.018 0.000 1.192 50 T HN 0.717 nan 8.240 nan 0.000 0.524 51 G N -0.265 108.542 108.800 0.012 0.000 2.781 51 G HA2 0.408 4.368 3.960 -0.000 0.000 0.683 51 G HA3 0.408 4.368 3.960 -0.000 0.000 0.683 51 G C -0.141 174.737 174.900 -0.037 0.000 1.390 51 G CA -0.444 44.655 45.100 -0.001 0.000 0.850 51 G HN 1.537 nan 8.290 nan 0.000 0.557 52 G N -2.113 106.668 108.800 -0.033 0.000 2.559 52 G HA2 0.801 4.761 3.960 -0.000 0.000 0.291 52 G HA3 0.801 4.761 3.960 -0.000 0.000 0.291 52 G C -1.423 173.405 174.900 -0.120 0.000 1.424 52 G CA 0.348 45.378 45.100 -0.118 0.000 0.786 52 G HN 1.731 nan 8.290 nan 0.000 0.485 53 V N 0.025 119.795 119.914 -0.240 0.000 2.709 53 V HA 0.711 4.831 4.120 -0.000 0.000 0.308 53 V C -1.229 174.665 176.094 -0.333 0.000 1.062 53 V CA -0.643 61.588 62.300 -0.115 0.000 0.901 53 V CB 1.586 33.464 31.823 0.091 0.000 1.003 53 V HN 0.600 nan 8.190 nan 0.000 0.425 54 F N 3.983 123.994 119.950 0.102 0.000 2.520 54 F HA 0.681 5.208 4.527 -0.000 0.000 0.322 54 F C -0.384 175.460 175.800 0.072 0.000 1.103 54 F CA -0.790 57.289 58.000 0.133 0.000 0.926 54 F CB 1.951 41.141 39.000 0.316 0.000 1.154 54 F HN 0.278 nan 8.300 nan 0.000 0.453 55 L N 4.007 125.362 121.223 0.220 0.000 2.294 55 L HA 0.547 4.887 4.340 -0.000 0.000 0.283 55 L C -1.093 175.862 176.870 0.142 0.000 1.015 55 L CA -0.502 54.418 54.840 0.134 0.000 0.831 55 L CB 0.436 42.541 42.059 0.077 0.000 1.217 55 L HN 0.684 nan 8.230 nan 0.000 0.420 56 c N 7.147 125.793 118.600 0.076 0.000 2.295 56 c HA 0.598 5.168 4.570 -0.000 0.000 0.331 56 c C -2.126 171.991 174.090 0.045 0.000 1.280 56 c CA -1.080 55.243 56.329 -0.010 0.000 1.746 56 c CB 0.795 43.070 42.510 -0.391 0.000 2.328 56 c HN 0.629 nan 8.230 nan 0.000 0.521 57 P HA 0.073 nan 4.420 nan 0.000 0.286 57 P C -0.440 177.044 177.300 0.307 0.000 1.261 57 P CA -0.504 62.715 63.100 0.199 0.000 0.821 57 P CB 0.720 32.514 31.700 0.157 0.000 1.013 58 W N 5.708 127.105 121.300 0.162 0.000 2.489 58 W HA 0.115 4.775 4.660 -0.000 0.000 0.327 58 W C -0.966 175.677 176.519 0.207 0.000 1.436 58 W CA -0.116 57.360 57.345 0.219 0.000 1.315 58 W CB 0.301 29.854 29.460 0.155 0.000 1.373 58 W HN 0.377 nan 8.180 nan 0.000 0.557 59 R N 4.720 124.857 120.500 -0.604 0.000 2.574 59 R HA 0.343 4.683 4.340 -0.000 0.000 0.288 59 R C 0.781 176.319 176.300 -1.269 0.000 1.004 59 R CA -0.218 55.355 56.100 -0.879 0.000 0.895 59 R CB 1.820 31.917 30.300 -0.338 0.000 1.191 59 R HN 0.571 nan 8.270 nan 0.000 0.444 60 A N 2.436 124.597 122.820 -1.098 0.000 1.940 60 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 60 A C 1.662 178.993 177.584 -0.422 0.000 1.176 60 A CA 1.794 53.441 52.037 -0.650 0.000 0.631 60 A CB -0.265 18.562 19.000 -0.289 0.000 0.814 60 A HN 0.838 nan 8.150 nan 0.000 0.446 61 E N -0.052 119.927 120.200 -0.369 0.000 2.481 61 E HA 0.251 4.601 4.350 -0.000 0.000 0.195 61 E C 1.194 177.600 176.600 -0.324 0.000 1.047 61 E CA 0.835 57.075 56.400 -0.267 0.000 0.867 61 E CB -0.956 28.634 29.700 -0.184 0.000 0.858 61 E HN 0.833 nan 8.360 nan 0.000 0.513 62 G N 0.872 109.364 108.800 -0.513 0.000 2.574 62 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.282 62 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.282 62 G C 0.600 175.256 174.900 -0.406 0.000 1.257 62 G CA 0.828 45.419 45.100 -0.848 0.000 0.956 62 G HN 1.246 nan 8.290 nan 0.000 0.560 63 G N -3.033 105.592 108.800 -0.293 0.000 2.250 63 G HA2 0.442 4.402 3.960 -0.000 0.000 0.196 63 G HA3 0.442 4.402 3.960 -0.000 0.000 0.196 63 G C -0.439 174.478 174.900 0.028 0.000 1.308 63 G CA 0.570 45.626 45.100 -0.072 0.000 1.207 63 G HN 1.309 nan 8.290 nan 0.000 0.505 64 Q N -0.667 119.142 119.800 0.014 0.000 2.249 64 Q HA 0.649 4.989 4.340 -0.000 0.000 0.226 64 Q C -0.288 175.766 176.000 0.090 0.000 0.983 64 Q CA -0.019 55.771 55.803 -0.021 0.000 0.930 64 Q CB 1.453 30.165 28.738 -0.042 0.000 1.193 64 Q HN 0.768 nan 8.270 nan 0.000 0.508 65 c N 1.494 120.133 118.600 0.064 0.000 2.802 65 c HA 0.580 5.150 4.570 -0.000 0.000 0.307 65 c C -2.227 172.043 174.090 0.301 0.000 1.222 65 c CA -1.202 55.250 56.329 0.204 0.000 1.580 65 c CB 1.896 44.576 42.510 0.284 0.000 2.119 65 c HN 0.703 nan 8.230 nan 0.000 0.479 66 P HA 0.166 nan 4.420 nan 0.000 0.275 66 P C -0.617 176.841 177.300 0.264 0.000 1.228 66 P CA 0.221 63.455 63.100 0.222 0.000 0.786 66 P CB 0.764 32.537 31.700 0.122 0.000 0.927 67 S N 2.016 117.782 115.700 0.111 0.000 2.439 67 S HA 0.192 4.662 4.470 -0.000 0.000 0.282 67 S C 0.060 174.546 174.600 -0.191 0.000 1.170 67 S CA -0.685 57.394 58.200 -0.201 0.000 1.054 67 S CB -0.646 62.395 63.200 -0.264 0.000 0.956 67 S HN 0.368 nan 8.310 nan 0.000 0.490 68 L N 6.724 127.815 121.223 -0.220 0.000 2.530 68 L HA 0.310 4.650 4.340 -0.000 0.000 0.273 68 L C -0.436 176.153 176.870 -0.469 0.000 1.141 68 L CA 0.254 54.927 54.840 -0.278 0.000 0.905 68 L CB -0.037 41.910 42.059 -0.186 0.000 1.202 68 L HN 0.638 nan 8.230 nan 0.000 0.473 69 L N 5.906 126.835 121.223 -0.490 0.000 2.380 69 L HA 0.455 4.795 4.340 -0.000 0.000 0.273 69 L C -0.675 175.767 176.870 -0.714 0.000 1.138 69 L CA 0.784 55.370 54.840 -0.424 0.000 0.832 69 L CB 0.456 42.368 42.059 -0.246 0.000 1.124 69 L HN 0.438 nan 8.230 nan 0.000 0.454 70 F N 1.105 120.959 119.950 -0.159 0.000 2.613 70 F HA 0.287 4.814 4.527 -0.000 0.000 0.314 70 F C -0.190 175.533 175.800 -0.128 0.000 1.075 70 F CA -1.239 56.654 58.000 -0.177 0.000 0.945 70 F CB 1.197 39.941 39.000 -0.427 0.000 1.310 70 F HN 0.327 nan 8.300 nan 0.000 0.467 71 D N 1.935 122.451 120.400 0.194 0.000 2.346 71 D HA 0.218 4.858 4.640 -0.000 0.000 0.260 71 D C 0.214 176.591 176.300 0.129 0.000 1.252 71 D CA 0.492 54.585 54.000 0.154 0.000 0.895 71 D CB 0.550 41.477 40.800 0.211 0.000 1.097 71 D HN 0.499 nan 8.370 nan 0.000 0.489 72 L N 3.431 124.695 121.223 0.068 0.000 2.769 72 L HA 0.264 4.604 4.340 -0.000 0.000 0.240 72 L C 0.983 177.900 176.870 0.077 0.000 1.163 72 L CA -0.269 54.605 54.840 0.056 0.000 0.962 72 L CB 0.049 42.115 42.059 0.012 0.000 1.258 72 L HN 0.081 nan 8.230 nan 0.000 0.513 73 R N 0.806 121.356 120.500 0.083 0.000 2.340 73 R HA 0.175 4.515 4.340 -0.000 0.000 0.300 73 R C -0.490 175.850 176.300 0.067 0.000 1.069 73 R CA -0.685 55.454 56.100 0.064 0.000 0.984 73 R CB 0.837 31.169 30.300 0.053 0.000 1.003 73 R HN -0.026 nan 8.270 nan 0.000 0.459 74 D N 2.398 122.819 120.400 0.035 0.000 2.400 74 D HA 0.022 4.661 4.640 -0.000 0.000 0.238 74 D C -0.108 176.173 176.300 -0.032 0.000 1.157 74 D CA 0.576 54.564 54.000 -0.019 0.000 0.889 74 D CB 0.718 41.462 40.800 -0.093 0.000 1.199 74 D HN 0.366 nan 8.370 nan 0.000 0.436 75 E N -0.295 119.869 120.200 -0.060 0.000 2.256 75 E HA 0.601 4.951 4.350 -0.000 0.000 0.267 75 E C -0.808 175.731 176.600 -0.102 0.000 0.892 75 E CA -0.813 55.565 56.400 -0.036 0.000 0.775 75 E CB 2.015 31.738 29.700 0.038 0.000 1.207 75 E HN 0.150 nan 8.360 nan 0.000 0.420 76 T N 1.596 116.107 114.554 -0.073 0.000 2.916 76 T HA 0.518 4.868 4.350 -0.000 0.000 0.298 76 T C -1.075 173.600 174.700 -0.042 0.000 1.031 76 T CA -0.775 61.270 62.100 -0.090 0.000 0.993 76 T CB 1.333 70.146 68.868 -0.091 0.000 1.045 76 T HN 0.304 nan 8.240 nan 0.000 0.454 77 R N 2.557 123.035 120.500 -0.037 0.000 2.514 77 R HA 0.329 4.669 4.340 -0.000 0.000 0.296 77 R C -1.266 175.025 176.300 -0.016 0.000 1.012 77 R CA -0.664 55.431 56.100 -0.009 0.000 0.897 77 R CB 0.692 31.008 30.300 0.026 0.000 1.184 77 R HN 0.518 nan 8.270 nan 0.000 0.440 78 N N 3.711 122.403 118.700 -0.012 0.000 2.469 78 N HA 0.183 4.923 4.740 -0.000 0.000 0.239 78 N C -1.144 174.367 175.510 0.001 0.000 1.053 78 N CA -0.057 52.988 53.050 -0.010 0.000 0.937 78 N CB 1.858 40.338 38.487 -0.010 0.000 1.163 78 N HN 0.260 nan 8.380 nan 0.000 0.509 79 V N 0.328 120.247 119.914 0.008 0.000 2.888 79 V HA 0.642 4.762 4.120 -0.000 0.000 0.309 79 V C 0.645 176.750 176.094 0.019 0.000 1.114 79 V CA -0.220 62.090 62.300 0.016 0.000 0.940 79 V CB 1.577 33.416 31.823 0.027 0.000 1.021 79 V HN 0.824 nan 8.190 nan 0.000 0.426 80 G N 4.404 113.215 108.800 0.018 0.000 2.323 80 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.292 80 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.292 80 G C 0.605 175.513 174.900 0.014 0.000 1.040 80 G CA 1.034 46.145 45.100 0.018 0.000 0.942 80 G HN 2.058 nan 8.290 nan 0.000 0.506 81 S N -2.140 113.565 115.700 0.009 0.000 3.521 81 S HA -0.217 4.253 4.470 -0.000 0.000 0.328 81 S C 0.652 175.255 174.600 0.005 0.000 1.165 81 S CA 2.162 60.365 58.200 0.006 0.000 0.941 81 S CB -0.972 62.231 63.200 0.006 0.000 0.951 81 S HN 1.135 nan 8.310 nan 0.000 0.539 82 Q N -0.592 119.211 119.800 0.004 0.000 2.496 82 Q HA 0.621 4.961 4.340 -0.000 0.000 0.286 82 Q C -0.730 175.260 176.000 -0.017 0.000 1.103 82 Q CA -0.827 54.974 55.803 -0.003 0.000 0.813 82 Q CB 1.832 30.574 28.738 0.008 0.000 1.444 82 Q HN 0.191 nan 8.270 nan 0.000 0.443 83 T N 1.661 116.191 114.554 -0.040 0.000 2.864 83 T HA 0.434 4.784 4.350 -0.000 0.000 0.310 83 T C -0.436 174.182 174.700 -0.137 0.000 1.040 83 T CA -0.511 61.549 62.100 -0.066 0.000 0.977 83 T CB 0.172 69.007 68.868 -0.056 0.000 0.976 83 T HN 0.252 nan 8.240 nan 0.000 0.459 84 L N 3.478 124.611 121.223 -0.151 0.000 2.350 84 L HA 0.542 4.882 4.340 -0.000 0.000 0.275 84 L C 0.331 176.980 176.870 -0.370 0.000 1.099 84 L CA -0.632 54.013 54.840 -0.325 0.000 0.808 84 L CB 0.666 42.678 42.059 -0.077 0.000 1.149 84 L HN 0.483 nan 8.230 nan 0.000 0.442 85 Q N 1.581 120.995 119.800 -0.642 0.000 2.305 85 Q HA 0.430 4.769 4.340 -0.000 0.000 0.271 85 Q C -0.841 174.873 176.000 -0.477 0.000 1.046 85 Q CA -0.710 54.784 55.803 -0.515 0.000 0.798 85 Q CB 2.945 31.425 28.738 -0.430 0.000 1.286 85 Q HN 0.741 nan 8.270 nan 0.000 0.435 86 T N -1.323 113.012 114.554 -0.365 0.000 2.888 86 T HA 0.782 5.132 4.350 -0.000 0.000 0.284 86 T C -0.666 173.760 174.700 -0.456 0.000 1.017 86 T CA -0.538 61.509 62.100 -0.089 0.000 1.022 86 T CB 0.690 69.646 68.868 0.147 0.000 1.013 86 T HN 0.337 nan 8.240 nan 0.000 0.465 87 F N 0.914 120.977 119.950 0.187 0.000 2.553 87 F HA 0.472 4.999 4.527 -0.000 0.000 0.335 87 F C 0.997 176.901 175.800 0.173 0.000 1.148 87 F CA -0.949 57.139 58.000 0.147 0.000 0.963 87 F CB 2.186 41.261 39.000 0.125 0.000 1.217 87 F HN 0.572 nan 8.300 nan 0.000 0.441 88 K N 1.672 122.232 120.400 0.268 0.000 2.374 88 K HA 0.384 4.704 4.320 -0.000 0.000 0.196 88 K C 0.585 177.297 176.600 0.185 0.000 1.023 88 K CA -0.145 56.279 56.287 0.229 0.000 1.103 88 K CB 0.661 33.277 32.500 0.192 0.000 0.848 88 K HN 0.565 nan 8.250 nan 0.000 0.528 89 A N 1.944 124.872 122.820 0.180 0.000 2.454 89 A HA 0.156 4.476 4.320 -0.000 0.000 0.260 89 A C 0.249 177.899 177.584 0.109 0.000 1.106 89 A CA -0.122 51.986 52.037 0.117 0.000 0.780 89 A CB 0.102 19.157 19.000 0.091 0.000 1.044 89 A HN 0.388 nan 8.150 nan 0.000 0.498 90 R N 0.749 121.299 120.500 0.083 0.000 3.875 90 R HA -0.237 4.103 4.340 -0.000 0.000 0.321 90 R C 1.024 177.436 176.300 0.186 0.000 1.196 90 R CA 1.483 57.627 56.100 0.074 0.000 0.868 90 R CB -2.469 27.835 30.300 0.008 0.000 1.333 90 R HN 1.095 nan 8.270 nan 0.000 0.522 91 Q N 0.163 120.096 119.800 0.221 0.000 2.369 91 Q HA 0.048 4.388 4.340 -0.000 0.000 0.206 91 Q C 1.074 177.266 176.000 0.319 0.000 0.963 91 Q CA 1.180 57.162 55.803 0.298 0.000 0.894 91 Q CB 0.189 29.068 28.738 0.234 0.000 0.965 91 Q HN 0.445 nan 8.270 nan 0.000 0.475 92 G N 1.874 110.833 108.800 0.265 0.000 2.272 92 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.280 92 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.280 92 G C -0.325 174.575 174.900 0.001 0.000 1.067 92 G CA 0.100 45.339 45.100 0.231 0.000 0.902 92 G HN 0.413 nan 8.290 nan 0.000 0.500 93 L N 0.188 121.395 121.223 -0.026 0.000 2.584 93 L HA 0.487 4.827 4.340 -0.000 0.000 0.272 93 L C 1.482 178.282 176.870 -0.116 0.000 1.195 93 L CA 1.721 56.490 54.840 -0.118 0.000 0.920 93 L CB 0.282 42.197 42.059 -0.240 0.000 1.173 93 L HN 1.734 nan 8.230 nan 0.000 0.489 94 G N 3.124 111.848 108.800 -0.127 0.000 2.131 94 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.223 94 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.223 94 G C 0.838 175.710 174.900 -0.045 0.000 0.990 94 G CA 0.336 45.392 45.100 -0.073 0.000 0.671 94 G HN 1.309 nan 8.290 nan 0.000 0.521 95 A N -0.518 122.217 122.820 -0.143 0.000 2.067 95 A HA 0.524 4.844 4.320 -0.000 0.000 0.219 95 A C 1.581 179.180 177.584 0.026 0.000 1.158 95 A CA 2.142 54.086 52.037 -0.156 0.000 0.661 95 A CB -0.146 18.555 19.000 -0.498 0.000 0.801 95 A HN 2.138 nan 8.150 nan 0.000 0.452 96 S N -1.178 114.476 115.700 -0.076 0.000 2.546 96 S HA 0.595 5.065 4.470 -0.000 0.000 0.272 96 S C -0.881 173.687 174.600 -0.053 0.000 1.140 96 S CA -0.089 58.077 58.200 -0.057 0.000 0.920 96 S CB 1.461 64.592 63.200 -0.116 0.000 1.083 96 S HN 1.269 nan 8.310 nan 0.000 0.476 97 V N -0.037 119.858 119.914 -0.031 0.000 2.789 97 V HA 1.005 5.125 4.120 -0.000 0.000 0.311 97 V C -0.695 175.396 176.094 -0.005 0.000 1.073 97 V CA -0.740 61.548 62.300 -0.019 0.000 0.921 97 V CB 1.117 32.933 31.823 -0.011 0.000 1.009 97 V HN 1.206 nan 8.190 nan 0.000 0.426 98 V N 2.775 122.702 119.914 0.022 0.000 2.971 98 V HA 0.821 4.941 4.120 -0.000 0.000 0.309 98 V C -0.440 175.724 176.094 0.116 0.000 1.130 98 V CA 0.338 62.672 62.300 0.057 0.000 0.964 98 V CB 2.525 34.373 31.823 0.042 0.000 1.029 98 V HN 1.433 nan 8.190 nan 0.000 0.427 99 S N 5.170 120.972 115.700 0.171 0.000 2.501 99 S HA 0.793 5.263 4.470 -0.000 0.000 0.301 99 S C -1.684 173.120 174.600 0.339 0.000 1.096 99 S CA -0.440 57.915 58.200 0.259 0.000 1.063 99 S CB 1.329 64.723 63.200 0.325 0.000 1.042 99 S HN 0.981 nan 8.310 nan 0.000 0.494 100 W N 4.408 125.799 121.300 0.151 0.000 3.132 100 W HA 0.497 5.156 4.660 -0.000 0.000 0.337 100 W C 0.246 176.835 176.519 0.116 0.000 1.082 100 W CA 0.467 57.878 57.345 0.109 0.000 1.242 100 W CB 0.991 30.497 29.460 0.075 0.000 1.354 100 W HN 1.006 nan 8.180 nan 0.000 0.461 101 S N 2.895 118.128 115.700 -0.778 0.000 4.112 101 S HA -0.369 4.101 4.470 -0.000 0.000 0.602 101 S C 0.831 175.283 174.600 -0.247 0.000 1.939 101 S CA 2.238 59.994 58.200 -0.741 0.000 4.230 101 S CB -1.223 61.174 63.200 -1.340 0.000 0.245 101 S HN 0.975 nan 8.310 nan 0.000 0.530 102 D N 2.023 122.326 120.400 -0.161 0.000 2.395 102 D HA 0.382 5.022 4.640 -0.000 0.000 0.226 102 D C 0.214 176.625 176.300 0.186 0.000 1.146 102 D CA 0.140 54.183 54.000 0.072 0.000 0.830 102 D CB -0.294 40.488 40.800 -0.031 0.000 0.958 102 D HN 0.392 nan 8.370 nan 0.000 0.501 103 V N 0.773 120.823 119.914 0.227 0.000 2.680 103 V HA 0.417 4.537 4.120 -0.000 0.000 0.309 103 V C 0.083 176.304 176.094 0.212 0.000 1.052 103 V CA -0.908 61.544 62.300 0.254 0.000 0.908 103 V CB 2.364 34.431 31.823 0.407 0.000 1.001 103 V HN 0.048 nan 8.190 nan 0.000 0.431 104 I N 3.766 124.416 120.570 0.133 0.000 2.404 104 I HA 0.507 4.677 4.170 -0.000 0.000 0.293 104 I C -0.852 175.360 176.117 0.158 0.000 0.992 104 I CA -0.840 60.516 61.300 0.092 0.000 1.149 104 I CB 2.150 40.144 38.000 -0.010 0.000 1.315 104 I HN 0.265 nan 8.210 nan 0.000 0.446 105 V N 5.678 125.659 119.914 0.112 0.000 2.350 105 V HA 0.607 4.727 4.120 -0.000 0.000 0.285 105 V C 0.129 176.225 176.094 0.004 0.000 1.014 105 V CA -0.503 61.831 62.300 0.056 0.000 0.831 105 V CB 1.283 33.128 31.823 0.038 0.000 1.000 105 V HN 0.807 nan 8.190 nan 0.000 0.433 106 A N 4.320 127.108 122.820 -0.052 0.000 2.303 106 A HA 0.758 5.078 4.320 -0.000 0.000 0.320 106 A C -0.361 177.158 177.584 -0.109 0.000 1.192 106 A CA -0.340 51.632 52.037 -0.108 0.000 0.821 106 A CB 0.941 19.828 19.000 -0.188 0.000 1.188 106 A HN 0.809 nan 8.150 nan 0.000 0.492 107 c N 1.411 119.949 118.600 -0.104 0.000 2.454 107 c HA 0.848 5.418 4.570 -0.000 0.000 0.336 107 c C 0.793 174.804 174.090 -0.131 0.000 1.189 107 c CA -0.268 55.997 56.329 -0.107 0.000 1.877 107 c CB 1.277 43.693 42.510 -0.157 0.000 2.348 107 c HN 1.014 nan 8.230 nan 0.000 0.508 108 A N 2.858 125.620 122.820 -0.096 0.000 2.536 108 A HA 0.595 4.915 4.320 -0.000 0.000 0.329 108 A C -1.990 175.440 177.584 -0.257 0.000 1.321 108 A CA -0.948 51.023 52.037 -0.110 0.000 0.804 108 A CB 0.237 19.310 19.000 0.122 0.000 1.126 108 A HN 0.667 nan 8.150 nan 0.000 0.480 109 P HA -0.056 nan 4.420 nan 0.000 0.226 109 P C 0.430 177.349 177.300 -0.636 0.000 1.153 109 P CA 0.901 63.569 63.100 -0.720 0.000 0.777 109 P CB 0.153 31.177 31.700 -1.126 0.000 0.794 110 W N -0.337 120.963 121.300 -0.001 0.000 3.102 110 W HA 0.341 5.001 4.660 -0.000 0.000 0.401 110 W C 0.423 177.019 176.519 0.128 0.000 1.070 110 W CA -0.524 56.844 57.345 0.038 0.000 1.921 110 W CB -0.936 28.570 29.460 0.076 0.000 1.118 110 W HN 0.078 nan 8.180 nan 0.000 0.647 111 Q N 1.428 121.351 119.800 0.204 0.000 2.263 111 Q HA -0.050 4.290 4.340 -0.000 0.000 0.289 111 Q C -0.574 175.572 176.000 0.244 0.000 1.061 111 Q CA 0.933 56.886 55.803 0.251 0.000 0.927 111 Q CB 0.518 29.346 28.738 0.151 0.000 1.154 111 Q HN 0.130 nan 8.270 nan 0.000 0.378 112 H N 2.723 121.961 119.070 0.281 0.000 2.517 112 H HA 0.518 5.074 4.556 -0.000 0.000 0.346 112 H C -1.162 174.485 175.328 0.531 0.000 1.222 112 H CA -0.259 55.980 56.048 0.319 0.000 1.314 112 H CB 1.025 30.903 29.762 0.193 0.000 1.609 112 H HN 0.674 nan 8.280 nan 0.000 0.571 113 W N 1.991 123.503 121.300 0.355 0.000 3.372 113 W HA 0.357 5.017 4.660 -0.000 0.000 0.315 113 W C -1.951 174.735 176.519 0.277 0.000 1.223 113 W CA -0.387 57.130 57.345 0.286 0.000 1.202 113 W CB 2.160 31.665 29.460 0.075 0.000 1.367 113 W HN 0.547 nan 8.180 nan 0.000 0.531 114 N N 2.353 120.793 118.700 -0.433 0.000 2.494 114 N HA 0.629 5.369 4.740 -0.000 0.000 0.270 114 N C -2.233 172.859 175.510 -0.697 0.000 1.285 114 N CA -0.394 52.428 53.050 -0.380 0.000 0.812 114 N CB 2.637 41.128 38.487 0.007 0.000 1.557 114 N HN 0.132 nan 8.380 nan 0.000 0.487 115 V N 2.471 122.169 119.914 -0.360 0.000 2.525 115 V HA 0.503 4.623 4.120 -0.000 0.000 0.299 115 V C -0.388 175.649 176.094 -0.095 0.000 1.034 115 V CA -0.670 61.481 62.300 -0.249 0.000 0.863 115 V CB 1.452 33.209 31.823 -0.111 0.000 0.999 115 V HN 0.483 nan 8.190 nan 0.000 0.423 116 L N 3.864 125.040 121.223 -0.078 0.000 2.322 116 L HA 0.729 5.068 4.340 -0.000 0.000 0.279 116 L C -0.043 176.816 176.870 -0.017 0.000 1.036 116 L CA -0.324 54.499 54.840 -0.030 0.000 0.807 116 L CB 1.667 43.713 42.059 -0.022 0.000 1.226 116 L HN 0.702 nan 8.230 nan 0.000 0.433 117 E N 3.784 123.984 120.200 -0.001 0.000 2.432 117 E HA 0.264 4.614 4.350 -0.000 0.000 0.272 117 E C -0.734 175.870 176.600 0.007 0.000 0.937 117 E CA -0.364 56.038 56.400 0.004 0.000 0.812 117 E CB 0.869 30.575 29.700 0.009 0.000 1.377 117 E HN 0.621 nan 8.360 nan 0.000 0.399 118 K N 0.038 120.441 120.400 0.005 0.000 1.751 118 K HA -0.291 4.029 4.320 -0.000 0.000 0.134 118 K C 0.990 177.596 176.600 0.009 0.000 1.167 118 K CA 2.209 58.500 56.287 0.007 0.000 0.330 118 K CB -1.544 30.960 32.500 0.007 0.000 0.663 118 K HN 0.637 nan 8.250 nan 0.000 0.817 119 T N 0.047 114.608 114.554 0.012 0.000 3.107 119 T HA 0.162 4.512 4.350 -0.000 0.000 0.249 119 T C 0.325 175.037 174.700 0.020 0.000 1.096 119 T CA 0.313 62.422 62.100 0.014 0.000 1.012 119 T CB -0.038 68.839 68.868 0.014 0.000 0.977 119 T HN 0.326 nan 8.240 nan 0.000 0.527 120 E N 1.155 121.368 120.200 0.021 0.000 2.259 120 E HA 0.597 4.947 4.350 -0.000 0.000 0.257 120 E C -0.388 176.231 176.600 0.031 0.000 0.998 120 E CA -0.966 55.452 56.400 0.031 0.000 0.866 120 E CB 1.225 30.945 29.700 0.033 0.000 1.220 120 E HN 0.702 nan 8.360 nan 0.000 0.415 121 E N -1.007 119.220 120.200 0.046 0.000 2.430 121 E HA 0.528 4.878 4.350 -0.000 0.000 0.279 121 E C -0.536 176.113 176.600 0.081 0.000 1.003 121 E CA -0.809 55.617 56.400 0.044 0.000 0.801 121 E CB 1.075 30.794 29.700 0.031 0.000 1.313 121 E HN 0.394 nan 8.360 nan 0.000 0.459 122 A N 1.238 124.106 122.820 0.080 0.000 2.014 122 A HA 0.019 4.338 4.320 -0.000 0.000 0.218 122 A C 0.093 177.747 177.584 0.115 0.000 1.163 122 A CA 1.514 53.638 52.037 0.145 0.000 0.652 122 A CB -0.731 18.364 19.000 0.158 0.000 0.808 122 A HN 0.669 nan 8.150 nan 0.000 0.449 123 E N -2.046 118.200 120.200 0.077 0.000 7.576 123 E HA -0.085 4.265 4.350 -0.000 0.000 0.451 123 E C -0.735 175.907 176.600 0.071 0.000 0.533 123 E CA 0.091 56.538 56.400 0.077 0.000 1.249 123 E CB -0.403 29.366 29.700 0.114 0.000 0.953 123 E HN 0.466 nan 8.360 nan 0.000 0.262 124 K N 2.712 123.142 120.400 0.049 0.000 2.315 124 K HA 0.253 4.573 4.320 -0.000 0.000 0.291 124 K C -0.507 176.213 176.600 0.199 0.000 1.074 124 K CA 0.618 56.935 56.287 0.050 0.000 0.936 124 K CB 0.370 32.789 32.500 -0.135 0.000 1.049 124 K HN 0.470 nan 8.250 nan 0.000 0.471 125 T N 1.050 115.740 114.554 0.226 0.000 2.896 125 T HA 0.469 4.819 4.350 -0.000 0.000 0.297 125 T C -2.864 171.703 174.700 -0.222 0.000 1.108 125 T CA -2.117 60.057 62.100 0.124 0.000 1.004 125 T CB 1.900 70.826 68.868 0.097 0.000 1.159 125 T HN 0.312 nan 8.240 nan 0.000 0.499 126 P HA 0.233 nan 4.420 nan 0.000 0.247 126 P C 1.362 178.530 177.300 -0.220 0.000 1.756 126 P CA -0.550 62.227 63.100 -0.537 0.000 1.117 126 P CB 0.201 31.694 31.700 -0.345 0.000 1.869 127 V N 0.299 120.106 119.914 -0.179 0.000 2.759 127 V HA 0.175 4.295 4.120 -0.000 0.000 0.256 127 V C 1.028 176.967 176.094 -0.258 0.000 1.080 127 V CA 0.968 63.125 62.300 -0.238 0.000 1.101 127 V CB -1.955 29.689 31.823 -0.298 0.000 0.698 127 V HN 0.661 nan 8.190 nan 0.000 0.477 128 G N -0.568 108.109 108.800 -0.205 0.000 2.787 128 G HA2 0.089 4.049 3.960 -0.000 0.000 0.685 128 G HA3 0.089 4.049 3.960 -0.000 0.000 0.685 128 G C -0.398 174.344 174.900 -0.263 0.000 1.437 128 G CA 0.010 44.974 45.100 -0.227 0.000 0.872 128 G HN 1.487 nan 8.290 nan 0.000 0.566 129 S N -1.326 114.218 115.700 -0.259 0.000 2.537 129 S HA 0.645 5.115 4.470 -0.000 0.000 0.271 129 S C -0.476 173.926 174.600 -0.331 0.000 1.148 129 S CA 0.095 58.089 58.200 -0.344 0.000 0.868 129 S CB 1.275 64.246 63.200 -0.383 0.000 1.115 129 S HN 1.481 nan 8.310 nan 0.000 0.461 130 c N 3.437 121.824 118.600 -0.354 0.000 2.382 130 c HA 0.710 5.280 4.570 -0.000 0.000 0.327 130 c C -0.906 172.939 174.090 -0.408 0.000 1.250 130 c CA -0.662 55.514 56.329 -0.255 0.000 1.707 130 c CB -0.139 42.300 42.510 -0.118 0.000 2.272 130 c HN 0.756 nan 8.230 nan 0.000 0.506 131 F N 3.009 122.763 119.950 -0.327 0.000 2.415 131 F HA 0.634 5.161 4.527 -0.000 0.000 0.348 131 F C 0.030 175.656 175.800 -0.291 0.000 1.119 131 F CA -0.594 57.157 58.000 -0.414 0.000 1.069 131 F CB 0.703 39.179 39.000 -0.874 0.000 1.124 131 F HN 0.194 nan 8.300 nan 0.000 0.472 132 L N 3.431 124.630 121.223 -0.040 0.000 2.329 132 L HA 0.834 5.174 4.340 -0.000 0.000 0.279 132 L C -0.255 176.788 176.870 0.288 0.000 1.014 132 L CA -0.456 54.399 54.840 0.025 0.000 0.814 132 L CB 1.738 43.592 42.059 -0.342 0.000 1.257 132 L HN 0.737 nan 8.230 nan 0.000 0.424 133 A N 2.623 125.697 122.820 0.424 0.000 2.449 133 A HA 0.690 5.010 4.320 -0.000 0.000 0.302 133 A C -1.009 176.749 177.584 0.289 0.000 1.048 133 A CA -0.509 51.751 52.037 0.371 0.000 0.708 133 A CB 1.603 20.762 19.000 0.266 0.000 1.274 133 A HN 0.637 nan 8.150 nan 0.000 0.410 134 Q N 3.011 122.927 119.800 0.193 0.000 2.607 134 Q HA 0.326 4.666 4.340 -0.000 0.000 0.247 134 Q C -2.115 173.902 176.000 0.027 0.000 1.033 134 Q CA -1.988 53.854 55.803 0.066 0.000 0.769 134 Q CB 1.140 29.838 28.738 -0.067 0.000 1.169 134 Q HN 0.452 nan 8.270 nan 0.000 0.508 135 P HA -0.234 nan 4.420 nan 0.000 0.217 135 P C 0.114 177.428 177.300 0.023 0.000 1.158 135 P CA 1.564 64.667 63.100 0.004 0.000 0.887 135 P CB 0.293 32.004 31.700 0.019 0.000 0.792 136 E N -1.141 119.084 120.200 0.042 0.000 2.511 136 E HA -0.036 4.314 4.350 -0.000 0.000 0.196 136 E C 1.606 178.214 176.600 0.013 0.000 1.066 136 E CA 1.019 57.441 56.400 0.038 0.000 0.871 136 E CB -0.145 29.581 29.700 0.042 0.000 0.863 136 E HN 0.388 nan 8.360 nan 0.000 0.520 137 S N -1.912 113.789 115.700 0.001 0.000 2.670 137 S HA 0.275 4.745 4.470 -0.000 0.000 0.241 137 S C 1.619 176.221 174.600 0.002 0.000 1.077 137 S CA 0.397 58.593 58.200 -0.007 0.000 0.899 137 S CB 0.953 64.136 63.200 -0.029 0.000 0.835 137 S HN 0.258 nan 8.310 nan 0.000 0.481 138 G N 1.680 110.483 108.800 0.005 0.000 2.176 138 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.232 138 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.232 138 G C 0.104 175.030 174.900 0.043 0.000 0.986 138 G CA -0.118 44.986 45.100 0.007 0.000 0.643 138 G HN 0.581 nan 8.290 nan 0.000 0.522 139 R N 0.537 121.079 120.500 0.069 0.000 2.570 139 R HA 0.445 4.784 4.340 -0.000 0.000 0.277 139 R C 0.286 176.753 176.300 0.278 0.000 1.039 139 R CA 0.188 56.383 56.100 0.159 0.000 1.065 139 R CB 0.324 30.697 30.300 0.122 0.000 0.964 139 R HN 0.116 nan 8.270 nan 0.000 0.428 140 R N 0.741 121.410 120.500 0.282 0.000 2.750 140 R HA 0.705 5.045 4.340 -0.000 0.000 0.281 140 R C -0.981 175.358 176.300 0.066 0.000 0.972 140 R CA -0.866 55.372 56.100 0.229 0.000 0.912 140 R CB 2.298 32.705 30.300 0.178 0.000 1.187 140 R HN 0.750 nan 8.270 nan 0.000 0.464 141 A N 1.334 123.966 122.820 -0.313 0.000 2.609 141 A HA 0.692 5.012 4.320 -0.000 0.000 0.291 141 A C -1.280 175.742 177.584 -0.938 0.000 1.096 141 A CA -0.695 50.799 52.037 -0.905 0.000 0.684 141 A CB 1.989 20.357 19.000 -1.053 0.000 1.282 141 A HN 0.635 nan 8.150 nan 0.000 0.412 142 E N -0.818 118.638 120.200 -1.239 0.000 2.359 142 E HA 0.592 4.942 4.350 -0.000 0.000 0.266 142 E C -2.135 174.457 176.600 -0.012 0.000 0.920 142 E CA -0.581 55.467 56.400 -0.588 0.000 0.788 142 E CB 2.627 32.010 29.700 -0.528 0.000 1.279 142 E HN 0.537 nan 8.360 nan 0.000 0.438 143 Y N 0.379 120.570 120.300 -0.182 0.000 2.362 143 Y HA 0.377 4.927 4.550 -0.000 0.000 0.326 143 Y C -1.240 174.491 175.900 -0.283 0.000 1.083 143 Y CA -0.739 57.284 58.100 -0.129 0.000 1.073 143 Y CB 2.070 40.432 38.460 -0.162 0.000 1.211 143 Y HN 0.402 nan 8.280 nan 0.000 0.433 144 S N 8.241 123.478 115.700 -0.771 0.000 2.440 144 S HA 0.304 4.774 4.470 -0.000 0.000 0.142 144 S C -2.366 171.686 174.600 -0.914 0.000 1.578 144 S CA -0.914 56.825 58.200 -0.769 0.000 1.260 144 S CB 0.521 63.373 63.200 -0.580 0.000 1.407 144 S HN 0.587 nan 8.310 nan 0.000 0.392 145 P HA 0.124 nan 4.420 nan 0.000 0.237 145 P C 0.883 177.848 177.300 -0.557 0.000 1.178 145 P CA 0.474 63.088 63.100 -0.809 0.000 0.766 145 P CB -0.184 31.046 31.700 -0.785 0.000 0.876 146 c N -0.768 117.502 118.600 -0.550 0.000 2.799 146 c HA 0.233 4.802 4.570 -0.000 0.000 0.267 146 c C 1.370 175.176 174.090 -0.473 0.000 1.257 146 c CA -0.437 55.628 56.329 -0.440 0.000 1.702 146 c CB -1.138 41.126 42.510 -0.409 0.000 1.934 146 c HN 0.187 nan 8.230 nan 0.000 0.594 147 R N 1.292 121.378 120.500 -0.690 0.000 2.585 147 R HA 0.385 4.725 4.340 -0.000 0.000 0.275 147 R C 0.526 176.536 176.300 -0.483 0.000 1.018 147 R CA 0.598 56.111 56.100 -0.979 0.000 1.072 147 R CB 0.192 29.566 30.300 -1.542 0.000 0.953 147 R HN 0.538 nan 8.270 nan 0.000 0.419 148 G N 0.630 109.361 108.800 -0.115 0.000 2.818 148 G HA2 0.217 4.177 3.960 -0.000 0.000 0.286 148 G HA3 0.217 4.177 3.960 -0.000 0.000 0.286 148 G C -0.504 174.591 174.900 0.326 0.000 1.364 148 G CA -0.707 44.454 45.100 0.101 0.000 0.938 148 G HN 0.692 nan 8.290 nan 0.000 0.490 149 N N -1.027 117.797 118.700 0.207 0.000 2.377 149 N HA 0.149 4.889 4.740 -0.000 0.000 0.259 149 N C -0.278 175.304 175.510 0.119 0.000 1.332 149 N CA -0.333 52.831 53.050 0.189 0.000 0.877 149 N CB 0.740 39.312 38.487 0.141 0.000 1.299 149 N HN 0.223 nan 8.380 nan 0.000 0.501 150 T N 1.540 116.173 114.554 0.131 0.000 2.845 150 T HA 0.394 4.744 4.350 -0.000 0.000 0.288 150 T C 0.533 175.317 174.700 0.139 0.000 0.980 150 T CA -0.458 61.662 62.100 0.035 0.000 1.071 150 T CB 1.185 69.949 68.868 -0.173 0.000 0.941 150 T HN 0.108 nan 8.240 nan 0.000 0.487 151 L N 1.867 123.130 121.223 0.067 0.000 2.453 151 L HA 0.248 4.588 4.340 -0.000 0.000 0.261 151 L C 2.073 179.066 176.870 0.205 0.000 1.179 151 L CA -0.406 54.505 54.840 0.120 0.000 0.813 151 L CB 0.542 42.637 42.059 0.059 0.000 1.110 151 L HN 0.681 nan 8.230 nan 0.000 0.466 152 S N 0.846 116.686 115.700 0.232 0.000 2.365 152 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 152 S C 2.078 176.811 174.600 0.223 0.000 1.039 152 S CA 1.644 60.015 58.200 0.286 0.000 1.033 152 S CB -0.187 63.125 63.200 0.186 0.000 0.887 152 S HN 0.661 nan 8.310 nan 0.000 0.447 153 R N 0.364 120.932 120.500 0.112 0.000 2.091 153 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 153 R C 2.062 178.354 176.300 -0.014 0.000 1.136 153 R CA 1.724 57.852 56.100 0.045 0.000 0.959 153 R CB -0.494 29.822 30.300 0.027 0.000 0.856 153 R HN 0.441 nan 8.270 nan 0.000 0.437 154 I N 0.388 120.931 120.570 -0.045 0.000 2.286 154 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 154 I C 2.021 178.011 176.117 -0.212 0.000 1.115 154 I CA 1.209 62.420 61.300 -0.147 0.000 1.392 154 I CB -1.499 36.371 38.000 -0.217 0.000 1.065 154 I HN 0.128 nan 8.210 nan 0.000 0.418 155 Y N 0.890 121.116 120.300 -0.125 0.000 2.165 155 Y HA -0.193 4.357 4.550 -0.000 0.000 0.286 155 Y C 2.743 178.252 175.900 -0.651 0.000 1.155 155 Y CA 1.335 59.283 58.100 -0.253 0.000 1.164 155 Y CB -1.142 37.248 38.460 -0.118 0.000 0.978 155 Y HN -0.095 nan 8.280 nan 0.000 0.513 156 V N 0.112 119.757 119.914 -0.449 0.000 2.343 156 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 156 V C 1.903 177.816 176.094 -0.301 0.000 1.051 156 V CA 2.139 64.104 62.300 -0.558 0.000 1.036 156 V CB -0.585 31.145 31.823 -0.156 0.000 0.654 156 V HN 0.430 nan 8.190 nan 0.000 0.451 157 E N 0.269 120.364 120.200 -0.175 0.000 2.338 157 E HA -0.102 4.248 4.350 -0.000 0.000 0.197 157 E C 0.929 177.471 176.600 -0.097 0.000 1.007 157 E CA 0.697 57.035 56.400 -0.103 0.000 0.849 157 E CB -0.073 29.583 29.700 -0.073 0.000 0.774 157 E HN 0.600 nan 8.360 nan 0.000 0.506 158 N N 1.164 119.784 118.700 -0.132 0.000 2.328 158 N HA 0.001 4.741 4.740 -0.000 0.000 0.247 158 N C -0.893 174.585 175.510 -0.054 0.000 1.165 158 N CA 0.124 53.133 53.050 -0.069 0.000 0.873 158 N CB 0.855 39.316 38.487 -0.042 0.000 1.125 158 N HN -0.017 nan 8.380 nan 0.000 0.513 159 D N 0.683 121.018 120.400 -0.108 0.000 2.751 159 D HA -0.224 4.416 4.640 -0.000 0.000 0.233 159 D C -0.281 176.114 176.300 0.159 0.000 1.149 159 D CA 0.588 54.600 54.000 0.021 0.000 0.682 159 D CB -1.614 39.219 40.800 0.056 0.000 1.068 159 D HN 0.357 nan 8.370 nan 0.000 0.429 160 F N -1.987 118.022 119.950 0.097 0.000 3.093 160 F HA -0.297 4.229 4.527 -0.000 0.000 0.287 160 F C 1.246 177.126 175.800 0.134 0.000 0.882 160 F CA 0.832 58.932 58.000 0.166 0.000 1.063 160 F CB -2.451 36.553 39.000 0.006 0.000 1.097 160 F HN 0.140 nan 8.300 nan 0.000 0.604 161 S N -1.735 114.085 115.700 0.200 0.000 2.580 161 S HA 0.342 4.812 4.470 -0.000 0.000 0.274 161 S C 0.190 174.942 174.600 0.254 0.000 1.329 161 S CA -0.080 58.156 58.200 0.059 0.000 1.036 161 S CB 0.428 63.663 63.200 0.058 0.000 0.919 161 S HN 0.480 nan 8.310 nan 0.000 0.515 162 W N -0.362 121.019 121.300 0.135 0.000 6.170 162 W HA -0.165 4.495 4.660 -0.000 0.000 0.394 162 W C -0.240 176.523 176.519 0.407 0.000 1.480 162 W CA 0.635 58.133 57.345 0.254 0.000 1.027 162 W CB -1.876 27.669 29.460 0.141 0.000 2.638 162 W HN 0.802 nan 8.180 nan 0.000 1.547 163 D N 1.070 121.778 120.400 0.513 0.000 2.393 163 D HA 0.173 4.813 4.640 -0.000 0.000 0.232 163 D C 0.848 177.139 176.300 -0.014 0.000 1.192 163 D CA 0.008 54.174 54.000 0.276 0.000 0.882 163 D CB 0.596 41.569 40.800 0.288 0.000 1.038 163 D HN 0.260 nan 8.370 nan 0.000 0.499 164 K N 2.658 122.990 120.400 -0.115 0.000 2.397 164 K HA 0.174 4.494 4.320 -0.000 0.000 0.202 164 K C 1.510 177.811 176.600 -0.498 0.000 1.022 164 K CA -0.223 55.879 56.287 -0.309 0.000 1.141 164 K CB 0.848 33.221 32.500 -0.212 0.000 0.857 164 K HN 0.210 nan 8.250 nan 0.000 0.514 165 R N 0.021 120.038 120.500 -0.804 0.000 2.189 165 R HA -0.100 4.240 4.340 -0.000 0.000 0.223 165 R C 0.517 176.324 176.300 -0.822 0.000 1.092 165 R CA 1.222 56.809 56.100 -0.855 0.000 0.989 165 R CB 0.008 29.697 30.300 -1.018 0.000 0.876 165 R HN 0.280 nan 8.270 nan 0.000 0.457 166 Y N -2.798 117.292 120.300 -0.350 0.000 2.660 166 Y HA 0.217 4.766 4.550 -0.000 0.000 0.254 166 Y C 1.627 177.334 175.900 -0.321 0.000 1.176 166 Y CA -1.311 56.572 58.100 -0.361 0.000 1.195 166 Y CB -0.797 37.293 38.460 -0.617 0.000 1.190 166 Y HN -0.074 nan 8.280 nan 0.000 0.535 167 c N 0.831 119.259 118.600 -0.287 0.000 2.375 167 c HA -0.285 4.285 4.570 -0.000 0.000 0.274 167 c C 1.357 175.335 174.090 -0.187 0.000 1.190 167 c CA 1.953 58.125 56.329 -0.263 0.000 1.775 167 c CB -0.850 41.471 42.510 -0.315 0.000 2.067 167 c HN 0.718 nan 8.230 nan 0.000 0.463 168 E N -0.745 119.353 120.200 -0.170 0.000 2.271 168 E HA -0.216 4.134 4.350 -0.000 0.000 0.223 168 E C 0.161 176.646 176.600 -0.192 0.000 1.223 168 E CA 0.013 56.315 56.400 -0.165 0.000 0.704 168 E CB -1.381 28.285 29.700 -0.056 0.000 1.194 168 E HN 0.787 nan 8.360 nan 0.000 0.375 169 A N 0.299 122.976 122.820 -0.239 0.000 2.565 169 A HA 0.361 4.681 4.320 -0.000 0.000 0.237 169 A C 1.671 179.123 177.584 -0.221 0.000 1.053 169 A CA 1.075 52.966 52.037 -0.244 0.000 0.755 169 A CB 0.108 18.914 19.000 -0.324 0.000 0.980 169 A HN 1.172 nan 8.150 nan 0.000 0.506 170 G N 1.092 109.791 108.800 -0.168 0.000 2.141 170 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.242 170 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.242 170 G C 0.637 175.435 174.900 -0.170 0.000 0.982 170 G CA 0.783 45.787 45.100 -0.160 0.000 0.662 170 G HN 1.290 nan 8.290 nan 0.000 0.527 171 F N 2.408 122.167 119.950 -0.318 0.000 2.095 171 F HA 0.115 4.642 4.527 -0.000 0.000 0.298 171 F C 1.772 177.421 175.800 -0.251 0.000 1.104 171 F CA 2.361 60.154 58.000 -0.344 0.000 1.232 171 F CB -0.039 38.764 39.000 -0.329 0.000 0.987 171 F HN 0.598 nan 8.300 nan 0.000 0.475 172 S N -0.773 114.974 115.700 0.078 0.000 2.600 172 S HA 0.711 5.181 4.470 -0.000 0.000 0.300 172 S C -0.523 174.034 174.600 -0.070 0.000 1.087 172 S CA -0.028 58.161 58.200 -0.018 0.000 0.965 172 S CB 1.884 65.095 63.200 0.019 0.000 1.089 172 S HN 0.496 nan 8.310 nan 0.000 0.496 173 S N -0.098 115.553 115.700 -0.082 0.000 2.547 173 S HA 0.816 5.286 4.470 -0.000 0.000 0.270 173 S C -1.266 173.285 174.600 -0.082 0.000 1.150 173 S CA -0.616 57.531 58.200 -0.088 0.000 0.850 173 S CB 1.182 64.337 63.200 -0.076 0.000 1.118 173 S HN 1.936 nan 8.310 nan 0.000 0.461 174 V N 1.121 120.977 119.914 -0.098 0.000 3.204 174 V HA 0.785 4.905 4.120 -0.000 0.000 0.298 174 V C -1.827 174.206 176.094 -0.101 0.000 1.328 174 V CA -0.487 61.766 62.300 -0.078 0.000 1.035 174 V CB 2.086 33.856 31.823 -0.088 0.000 1.095 174 V HN 1.165 nan 8.190 nan 0.000 0.442 175 V N 3.498 123.375 119.914 -0.063 0.000 2.656 175 V HA 0.616 4.736 4.120 -0.000 0.000 0.307 175 V C 0.406 176.443 176.094 -0.095 0.000 1.051 175 V CA -0.035 62.184 62.300 -0.134 0.000 0.893 175 V CB 1.977 33.723 31.823 -0.129 0.000 0.999 175 V HN 1.116 nan 8.190 nan 0.000 0.426 176 T N 1.030 115.494 114.554 -0.149 0.000 2.766 176 T HA 0.148 4.498 4.350 -0.000 0.000 0.295 176 T C 0.919 175.614 174.700 -0.009 0.000 1.024 176 T CA -0.315 61.761 62.100 -0.040 0.000 1.018 176 T CB 0.840 69.704 68.868 -0.007 0.000 1.002 176 T HN 0.567 nan 8.240 nan 0.000 0.532 177 Q N 0.378 120.252 119.800 0.123 0.000 2.170 177 Q HA -0.046 4.294 4.340 -0.000 0.000 0.203 177 Q C 2.559 178.756 176.000 0.328 0.000 0.976 177 Q CA 1.691 57.659 55.803 0.275 0.000 0.858 177 Q CB -0.920 27.931 28.738 0.188 0.000 0.907 177 Q HN 0.921 nan 8.270 nan 0.000 0.433 178 A N -0.130 122.760 122.820 0.117 0.000 2.119 178 A HA 0.213 4.533 4.320 -0.000 0.000 0.217 178 A C 1.482 179.005 177.584 -0.101 0.000 1.153 178 A CA 1.304 53.389 52.037 0.081 0.000 0.692 178 A CB -0.157 18.853 19.000 0.017 0.000 0.799 178 A HN 0.457 nan 8.150 nan 0.000 0.458 179 G N -1.079 107.378 108.800 -0.572 0.000 2.141 179 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.164 179 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.164 179 G C -0.349 174.087 174.900 -0.773 0.000 1.009 179 G CA 0.011 44.251 45.100 -1.434 0.000 0.677 179 G HN 0.381 nan 8.290 nan 0.000 0.508 180 E N 0.298 120.220 120.200 -0.462 0.000 2.152 180 E HA 0.328 4.678 4.350 -0.000 0.000 0.285 180 E C 0.187 176.598 176.600 -0.314 0.000 1.043 180 E CA -0.658 55.559 56.400 -0.304 0.000 0.839 180 E CB 1.522 31.127 29.700 -0.159 0.000 1.069 180 E HN 0.337 nan 8.360 nan 0.000 0.399 181 L N 4.848 125.892 121.223 -0.299 0.000 2.360 181 L HA 0.114 4.454 4.340 -0.000 0.000 0.276 181 L C -0.863 175.887 176.870 -0.200 0.000 1.121 181 L CA -0.109 54.590 54.840 -0.235 0.000 0.845 181 L CB 0.932 42.862 42.059 -0.214 0.000 1.143 181 L HN 0.131 nan 8.230 nan 0.000 0.452 182 V N 7.002 126.789 119.914 -0.210 0.000 2.409 182 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 182 V C -0.014 175.980 176.094 -0.167 0.000 1.020 182 V CA -0.604 61.553 62.300 -0.239 0.000 0.848 182 V CB 1.413 32.952 31.823 -0.474 0.000 0.990 182 V HN 0.605 nan 8.190 nan 0.000 0.430 183 L N 4.076 125.234 121.223 -0.108 0.000 2.317 183 L HA 0.712 5.051 4.340 -0.000 0.000 0.281 183 L C 0.844 177.637 176.870 -0.128 0.000 1.024 183 L CA -0.478 54.301 54.840 -0.102 0.000 0.810 183 L CB 1.734 43.748 42.059 -0.075 0.000 1.240 183 L HN 0.742 nan 8.230 nan 0.000 0.427 184 G N 1.746 110.472 108.800 -0.123 0.000 2.353 184 G HA2 0.545 4.505 3.960 -0.000 0.000 0.284 184 G HA3 0.545 4.505 3.960 -0.000 0.000 0.284 184 G C -0.350 174.484 174.900 -0.110 0.000 1.172 184 G CA -0.230 44.793 45.100 -0.127 0.000 0.854 184 G HN 0.731 nan 8.290 nan 0.000 0.485 185 A N 4.778 127.519 122.820 -0.130 0.000 3.030 185 A HA 0.647 4.967 4.320 -0.000 0.000 0.335 185 A C -1.464 176.041 177.584 -0.131 0.000 1.089 185 A CA -1.138 50.805 52.037 -0.157 0.000 0.807 185 A CB 1.531 20.409 19.000 -0.204 0.000 1.099 185 A HN 0.454 nan 8.150 nan 0.000 0.474 186 P HA -0.061 nan 4.420 nan 0.000 0.226 186 P C 1.276 178.635 177.300 0.098 0.000 1.153 186 P CA 1.538 64.597 63.100 -0.069 0.000 0.777 186 P CB 0.196 31.663 31.700 -0.389 0.000 0.794 187 G N -0.156 108.633 108.800 -0.017 0.000 2.985 187 G HA2 0.167 4.127 3.960 -0.000 0.000 0.209 187 G HA3 0.167 4.127 3.960 -0.000 0.000 0.209 187 G C 0.843 175.634 174.900 -0.181 0.000 1.165 187 G CA 0.023 45.130 45.100 0.012 0.000 0.776 187 G HN 0.388 nan 8.290 nan 0.000 0.541 188 G N -0.780 107.925 108.800 -0.158 0.000 2.491 188 G HA2 0.306 4.266 3.960 -0.000 0.000 0.238 188 G HA3 0.306 4.266 3.960 -0.000 0.000 0.238 188 G C 0.004 174.800 174.900 -0.174 0.000 1.277 188 G CA -0.413 44.494 45.100 -0.321 0.000 0.851 188 G HN 0.375 nan 8.290 nan 0.000 0.573 189 Y N -0.747 119.512 120.300 -0.069 0.000 3.027 189 Y HA -0.229 4.321 4.550 -0.000 0.000 0.195 189 Y C 0.748 176.683 175.900 0.058 0.000 1.381 189 Y CA 0.676 58.759 58.100 -0.029 0.000 1.015 189 Y CB -2.830 35.574 38.460 -0.094 0.000 1.329 189 Y HN 0.852 nan 8.280 nan 0.000 0.462 190 Y N -1.132 119.181 120.300 0.023 0.000 3.168 190 Y HA -0.236 4.314 4.550 -0.000 0.000 0.207 190 Y C 0.766 176.656 175.900 -0.016 0.000 1.280 190 Y CA 1.132 59.190 58.100 -0.069 0.000 1.235 190 Y CB -1.754 36.706 38.460 0.000 0.000 1.370 190 Y HN 0.475 nan 8.280 nan 0.000 0.537 191 F N -4.429 115.637 119.950 0.193 0.000 2.699 191 F HA -0.401 4.125 4.527 -0.000 0.000 0.343 191 F C 1.201 177.122 175.800 0.203 0.000 0.633 191 F CA 0.575 58.701 58.000 0.209 0.000 1.365 191 F CB -1.994 37.115 39.000 0.182 0.000 1.795 191 F HN 0.183 nan 8.300 nan 0.000 0.304 192 L N 0.086 121.493 121.223 0.306 0.000 1.994 192 L HA 0.335 4.675 4.340 -0.000 0.000 0.208 192 L C 1.666 178.750 176.870 0.356 0.000 1.071 192 L CA 2.102 57.124 54.840 0.304 0.000 0.745 192 L CB -1.002 41.221 42.059 0.272 0.000 0.892 192 L HN 0.599 nan 8.230 nan 0.000 0.431 193 G N -1.043 107.933 108.800 0.293 0.000 2.640 193 G HA2 0.279 4.239 3.960 -0.000 0.000 0.686 193 G HA3 0.279 4.239 3.960 -0.000 0.000 0.686 193 G C -1.405 173.686 174.900 0.318 0.000 1.229 193 G CA -0.467 44.815 45.100 0.302 0.000 0.796 193 G HN 0.462 nan 8.290 nan 0.000 0.654 194 L N -1.176 120.162 121.223 0.191 0.000 2.491 194 L HA 1.018 5.358 4.340 -0.000 0.000 0.254 194 L C -1.038 175.884 176.870 0.086 0.000 1.048 194 L CA -1.471 53.474 54.840 0.176 0.000 0.855 194 L CB 1.545 43.435 42.059 -0.281 0.000 1.466 194 L HN 0.753 nan 8.230 nan 0.000 0.409 195 L N 1.357 122.593 121.223 0.023 0.000 2.346 195 L HA 0.956 5.296 4.340 -0.000 0.000 0.276 195 L C -0.262 176.530 176.870 -0.130 0.000 1.006 195 L CA -0.243 54.531 54.840 -0.110 0.000 0.817 195 L CB 1.890 43.891 42.059 -0.096 0.000 1.272 195 L HN 1.010 nan 8.230 nan 0.000 0.421 196 A N 3.382 126.165 122.820 -0.061 0.000 2.343 196 A HA 0.787 5.107 4.320 -0.000 0.000 0.316 196 A C -1.081 176.557 177.584 0.090 0.000 1.104 196 A CA -0.505 51.541 52.037 0.015 0.000 0.768 196 A CB 1.256 20.221 19.000 -0.058 0.000 1.213 196 A HN 0.668 nan 8.150 nan 0.000 0.456 197 Q N 1.193 121.075 119.800 0.137 0.000 2.397 197 Q HA 0.853 5.193 4.340 -0.000 0.000 0.275 197 Q C -0.964 175.030 176.000 -0.011 0.000 1.090 197 Q CA -0.872 54.953 55.803 0.037 0.000 0.809 197 Q CB 2.348 31.099 28.738 0.022 0.000 1.362 197 Q HN 1.527 nan 8.270 nan 0.000 0.431 198 A N 2.119 124.847 122.820 -0.155 0.000 2.594 198 A HA 0.674 4.994 4.320 -0.000 0.000 0.296 198 A C -2.977 174.448 177.584 -0.265 0.000 1.061 198 A CA -1.347 50.548 52.037 -0.237 0.000 0.689 198 A CB 1.637 20.361 19.000 -0.460 0.000 1.280 198 A HN 0.596 nan 8.150 nan 0.000 0.406 199 P HA 0.258 nan 4.420 nan 0.000 0.271 199 P C 1.078 178.265 177.300 -0.188 0.000 1.216 199 P CA -0.127 62.857 63.100 -0.192 0.000 0.771 199 P CB 0.854 32.486 31.700 -0.114 0.000 0.864 200 V N 3.372 123.162 119.914 -0.207 0.000 2.332 200 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 200 V C 2.393 178.579 176.094 0.155 0.000 1.055 200 V CA 2.802 65.070 62.300 -0.053 0.000 1.038 200 V CB -1.569 30.233 31.823 -0.035 0.000 0.651 200 V HN 0.669 nan 8.190 nan 0.000 0.450 201 A N -0.123 122.766 122.820 0.115 0.000 1.940 201 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 201 A C 1.951 179.626 177.584 0.151 0.000 1.176 201 A CA 2.246 54.380 52.037 0.162 0.000 0.631 201 A CB -0.609 18.451 19.000 0.100 0.000 0.814 201 A HN 0.566 nan 8.150 nan 0.000 0.446 202 D N -0.298 120.142 120.400 0.067 0.000 2.183 202 D HA -0.025 4.615 4.640 -0.000 0.000 0.203 202 D C 1.821 178.165 176.300 0.072 0.000 0.969 202 D CA 0.704 54.739 54.000 0.058 0.000 0.842 202 D CB -0.293 40.513 40.800 0.010 0.000 0.957 202 D HN 0.527 nan 8.370 nan 0.000 0.484 203 I N 0.012 120.579 120.570 -0.004 0.000 2.179 203 I HA -0.279 3.890 4.170 -0.000 0.000 0.242 203 I C 2.004 178.133 176.117 0.020 0.000 1.088 203 I CA 0.931 62.205 61.300 -0.044 0.000 1.357 203 I CB -0.222 37.612 38.000 -0.276 0.000 1.051 203 I HN -0.091 nan 8.210 nan 0.000 0.409 204 F N 1.190 121.169 119.950 0.048 0.000 2.134 204 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 204 F C 2.921 178.768 175.800 0.080 0.000 1.097 204 F CA 1.879 59.920 58.000 0.068 0.000 1.264 204 F CB -0.578 38.457 39.000 0.057 0.000 1.001 204 F HN 0.127 nan 8.300 nan 0.000 0.479 205 S N -1.490 114.359 115.700 0.248 0.000 2.527 205 S HA -0.062 4.407 4.470 -0.000 0.000 0.222 205 S C 1.701 176.364 174.600 0.106 0.000 0.985 205 S CA 0.666 58.959 58.200 0.155 0.000 0.921 205 S CB -0.621 62.650 63.200 0.119 0.000 0.772 205 S HN 0.332 nan 8.310 nan 0.000 0.529 206 S N -0.703 115.072 115.700 0.126 0.000 2.524 206 S HA 0.255 4.724 4.470 -0.000 0.000 0.215 206 S C 0.067 174.603 174.600 -0.107 0.000 0.986 206 S CA -0.745 57.522 58.200 0.111 0.000 0.911 206 S CB -0.626 62.738 63.200 0.273 0.000 0.805 206 S HN 0.583 nan 8.310 nan 0.000 0.501 207 Y N 3.175 123.306 120.300 -0.282 0.000 2.313 207 Y HA 0.645 5.195 4.550 -0.000 0.000 0.332 207 Y C -0.050 175.579 175.900 -0.451 0.000 1.071 207 Y CA -0.810 56.897 58.100 -0.656 0.000 1.169 207 Y CB 0.566 38.734 38.460 -0.487 0.000 1.192 207 Y HN -0.001 nan 8.280 nan 0.000 0.487 208 R N 6.110 125.785 120.500 -1.374 0.000 2.744 208 R HA 0.425 4.765 4.340 -0.000 0.000 0.279 208 R C -2.972 172.544 176.300 -1.307 0.000 0.977 208 R CA -2.450 53.032 56.100 -1.029 0.000 0.906 208 R CB 1.377 31.371 30.300 -0.511 0.000 1.197 208 R HN 0.534 nan 8.270 nan 0.000 0.463 209 P HA 0.175 nan 4.420 nan 0.000 0.275 209 P C 0.662 177.804 177.300 -0.264 0.000 1.227 209 P CA 0.357 63.216 63.100 -0.401 0.000 0.781 209 P CB 0.628 32.268 31.700 -0.100 0.000 0.906 210 G N 1.872 110.586 108.800 -0.143 0.000 2.199 210 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.254 210 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.254 210 G C 0.836 175.709 174.900 -0.045 0.000 0.982 210 G CA 0.097 45.160 45.100 -0.061 0.000 0.632 210 G HN 0.460 nan 8.290 nan 0.000 0.529 211 I N 0.309 120.816 120.570 -0.104 0.000 2.400 211 I HA 0.107 4.277 4.170 -0.000 0.000 0.248 211 I C 2.649 178.859 176.117 0.154 0.000 1.109 211 I CA 1.858 63.147 61.300 -0.019 0.000 1.425 211 I CB -0.793 37.141 38.000 -0.111 0.000 1.094 211 I HN 0.445 nan 8.210 nan 0.000 0.425 212 L N -1.194 120.188 121.223 0.265 0.000 3.417 212 L HA -0.295 4.045 4.340 -0.000 0.000 0.368 212 L C 0.524 177.608 176.870 0.357 0.000 0.810 212 L CA 1.187 56.274 54.840 0.412 0.000 3.108 212 L CB -1.320 40.982 42.059 0.405 0.000 0.687 212 L HN 0.137 nan 8.230 nan 0.000 0.756 213 L N 0.280 121.669 121.223 0.278 0.000 2.295 213 L HA 0.456 4.795 4.340 -0.000 0.000 0.281 213 L C -0.579 176.345 176.870 0.089 0.000 1.018 213 L CA -0.390 54.470 54.840 0.033 0.000 0.841 213 L CB 1.103 43.180 42.059 0.031 0.000 1.218 213 L HN 0.346 nan 8.230 nan 0.000 0.424 214 W N 2.813 123.980 121.300 -0.221 0.000 3.062 214 W HA 0.511 5.171 4.660 -0.000 0.000 0.336 214 W C -1.193 175.170 176.519 -0.260 0.000 1.224 214 W CA -0.882 56.318 57.345 -0.243 0.000 1.159 214 W CB 0.692 30.089 29.460 -0.106 0.000 1.454 214 W HN 0.171 nan 8.180 nan 0.000 0.569 215 H N 1.132 120.293 119.070 0.152 0.000 2.489 215 H HA 0.476 5.032 4.556 -0.000 0.000 0.322 215 H C -0.648 174.768 175.328 0.146 0.000 1.091 215 H CA -0.654 55.420 56.048 0.043 0.000 1.291 215 H CB 1.956 31.753 29.762 0.060 0.000 1.436 215 H HN 0.326 nan 8.280 nan 0.000 0.480 216 V N 3.537 123.559 119.914 0.180 0.000 2.275 216 V HA -0.004 4.116 4.120 -0.000 0.000 0.272 216 V C 1.452 177.612 176.094 0.110 0.000 1.028 216 V CA -0.314 62.090 62.300 0.174 0.000 0.810 216 V CB 0.846 32.763 31.823 0.157 0.000 1.043 216 V HN 0.885 nan 8.190 nan 0.000 0.453 217 S N 2.723 118.481 115.700 0.097 0.000 2.419 217 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 217 S C 1.719 176.335 174.600 0.027 0.000 1.016 217 S CA 1.348 59.576 58.200 0.046 0.000 0.974 217 S CB -0.232 62.986 63.200 0.031 0.000 0.786 217 S HN 0.864 nan 8.310 nan 0.000 0.492 218 S N 0.985 116.698 115.700 0.023 0.000 2.631 218 S HA 0.124 4.594 4.470 -0.000 0.000 0.217 218 S C 0.655 175.250 174.600 -0.008 0.000 0.958 218 S CA -0.539 57.661 58.200 -0.000 0.000 0.920 218 S CB -0.618 62.573 63.200 -0.014 0.000 0.776 218 S HN 0.860 nan 8.310 nan 0.000 0.517 219 Q N 1.146 120.956 119.800 0.018 0.000 2.368 219 Q HA 0.557 4.897 4.340 -0.000 0.000 0.237 219 Q C -0.570 175.460 176.000 0.050 0.000 0.987 219 Q CA -0.490 55.336 55.803 0.038 0.000 0.896 219 Q CB 0.764 29.567 28.738 0.108 0.000 1.241 219 Q HN 0.140 nan 8.270 nan 0.000 0.485 220 S N 2.197 117.946 115.700 0.082 0.000 2.720 220 S HA 0.471 4.941 4.470 -0.000 0.000 0.278 220 S C -1.599 173.134 174.600 0.222 0.000 1.172 220 S CA -0.739 57.537 58.200 0.128 0.000 1.019 220 S CB 0.720 63.967 63.200 0.078 0.000 1.049 220 S HN 0.528 nan 8.310 nan 0.000 0.483 221 L N 3.965 125.257 121.223 0.116 0.000 2.344 221 L HA 0.635 4.975 4.340 -0.000 0.000 0.272 221 L C 1.087 177.772 176.870 -0.309 0.000 1.035 221 L CA -0.040 54.784 54.840 -0.027 0.000 0.807 221 L CB 1.760 43.812 42.059 -0.012 0.000 1.237 221 L HN 0.858 nan 8.230 nan 0.000 0.442 222 S N 0.679 115.965 115.700 -0.690 0.000 2.602 222 S HA 0.552 5.022 4.470 -0.000 0.000 0.257 222 S C -0.240 174.030 174.600 -0.550 0.000 1.250 222 S CA -0.333 57.236 58.200 -1.052 0.000 0.986 222 S CB 0.206 62.929 63.200 -0.795 0.000 1.040 222 S HN 0.204 nan 8.310 nan 0.000 0.562 223 F N -0.389 119.576 119.950 0.025 0.000 2.556 223 F HA 0.506 5.032 4.527 -0.000 0.000 0.327 223 F C 0.526 175.999 175.800 -0.545 0.000 1.059 223 F CA -1.124 56.830 58.000 -0.077 0.000 0.953 223 F CB 1.031 39.994 39.000 -0.061 0.000 1.227 223 F HN 0.487 nan 8.300 nan 0.000 0.478 224 D N 0.434 120.183 120.400 -1.085 0.000 2.329 224 D HA 0.432 5.071 4.640 -0.000 0.000 0.246 224 D C -0.896 174.994 176.300 -0.682 0.000 1.111 224 D CA 0.232 53.430 54.000 -1.337 0.000 0.941 224 D CB 1.711 41.230 40.800 -2.135 0.000 1.169 224 D HN 0.453 nan 8.370 nan 0.000 0.441 225 S N -0.583 114.844 115.700 -0.455 0.000 2.541 225 S HA 0.377 4.847 4.470 -0.000 0.000 0.271 225 S C 0.028 174.596 174.600 -0.054 0.000 1.133 225 S CA -0.432 57.607 58.200 -0.269 0.000 0.876 225 S CB 1.047 64.042 63.200 -0.342 0.000 1.105 225 S HN 0.346 nan 8.310 nan 0.000 0.470 226 S N 2.175 117.866 115.700 -0.015 0.000 2.557 226 S HA 0.201 4.671 4.470 -0.000 0.000 0.223 226 S C 0.302 174.929 174.600 0.044 0.000 0.969 226 S CA -0.374 57.903 58.200 0.129 0.000 0.927 226 S CB -0.407 62.822 63.200 0.049 0.000 0.806 226 S HN 0.615 nan 8.310 nan 0.000 0.489 227 N N 3.488 122.143 118.700 -0.075 0.000 2.405 227 N HA 0.246 4.986 4.740 -0.000 0.000 0.260 227 N C -2.108 173.005 175.510 -0.663 0.000 1.152 227 N CA -2.007 50.927 53.050 -0.193 0.000 0.948 227 N CB 1.176 39.676 38.487 0.021 0.000 1.111 227 N HN -0.016 nan 8.380 nan 0.000 0.485 228 P HA -0.081 nan 4.420 nan 0.000 0.225 228 P C 0.487 177.007 177.300 -1.299 0.000 1.148 228 P CA 1.034 63.165 63.100 -1.615 0.000 0.779 228 P CB 0.302 31.600 31.700 -0.670 0.000 0.780 229 E N -1.679 118.009 120.200 -0.853 0.000 2.209 229 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 229 E C 1.112 176.950 176.600 -1.271 0.000 0.993 229 E CA 1.046 56.785 56.400 -1.100 0.000 0.819 229 E CB -0.428 28.747 29.700 -0.874 0.000 0.745 229 E HN 0.445 nan 8.360 nan 0.000 0.477 230 Y N -0.697 119.218 120.300 -0.642 0.000 2.500 230 Y HA 0.106 4.656 4.550 -0.000 0.000 0.270 230 Y C 0.533 176.382 175.900 -0.086 0.000 1.134 230 Y CA -0.214 57.750 58.100 -0.226 0.000 1.293 230 Y CB 0.282 38.730 38.460 -0.020 0.000 1.063 230 Y HN -0.113 nan 8.280 nan 0.000 0.534 231 F N 2.179 121.971 119.950 -0.264 0.000 2.572 231 F HA -0.069 4.457 4.527 -0.000 0.000 0.370 231 F C 0.659 176.283 175.800 -0.293 0.000 1.103 231 F CA -0.166 57.700 58.000 -0.224 0.000 1.286 231 F CB 0.350 39.184 39.000 -0.278 0.000 1.105 231 F HN 0.266 nan 8.300 nan 0.000 0.583 232 D N 1.934 122.343 120.400 0.015 0.000 2.911 232 D HA -0.178 4.462 4.640 -0.000 0.000 0.227 232 D C 1.202 177.167 176.300 -0.558 0.000 1.164 232 D CA 0.854 54.699 54.000 -0.257 0.000 0.782 232 D CB -1.372 39.279 40.800 -0.250 0.000 1.094 232 D HN 0.874 nan 8.370 nan 0.000 0.425 233 G N -0.573 108.086 108.800 -0.235 0.000 2.777 233 G HA2 -0.041 3.918 3.960 -0.000 0.000 0.211 233 G HA3 -0.041 3.918 3.960 -0.000 0.000 0.211 233 G C 0.432 175.363 174.900 0.052 0.000 1.149 233 G CA -0.095 44.952 45.100 -0.089 0.000 0.785 233 G HN 0.320 nan 8.290 nan 0.000 0.536 234 Y N -2.294 118.154 120.300 0.247 0.000 3.168 234 Y HA -0.164 4.386 4.550 -0.000 0.000 0.207 234 Y C 0.452 176.496 175.900 0.240 0.000 1.280 234 Y CA -0.626 57.603 58.100 0.216 0.000 1.235 234 Y CB -2.525 36.071 38.460 0.227 0.000 1.370 234 Y HN 0.455 nan 8.280 nan 0.000 0.537 235 W N 1.846 123.284 121.300 0.229 0.000 2.565 235 W HA 0.435 5.095 4.660 -0.000 0.000 0.325 235 W C 1.114 177.690 176.519 0.095 0.000 1.408 235 W CA 1.505 58.951 57.345 0.169 0.000 1.350 235 W CB 0.232 29.827 29.460 0.225 0.000 1.426 235 W HN 0.668 nan 8.180 nan 0.000 0.538 236 G N 4.098 112.787 108.800 -0.185 0.000 2.175 236 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.182 236 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.182 236 G C 0.467 175.323 174.900 -0.074 0.000 1.003 236 G CA 0.042 45.019 45.100 -0.205 0.000 0.666 236 G HN 0.610 nan 8.290 nan 0.000 0.506 237 Y N 2.243 122.462 120.300 -0.135 0.000 2.274 237 Y HA 0.203 4.753 4.550 -0.000 0.000 0.290 237 Y C 1.657 177.599 175.900 0.070 0.000 1.145 237 Y CA 2.276 60.331 58.100 -0.076 0.000 1.203 237 Y CB 0.223 38.687 38.460 0.007 0.000 0.984 237 Y HN 0.711 nan 8.280 nan 0.000 0.533 238 S N -1.142 114.648 115.700 0.150 0.000 2.564 238 S HA 0.661 5.131 4.470 -0.000 0.000 0.274 238 S C -1.364 173.182 174.600 -0.090 0.000 1.124 238 S CA -0.656 57.562 58.200 0.030 0.000 0.869 238 S CB 1.903 65.111 63.200 0.014 0.000 1.105 238 S HN 0.032 nan 8.310 nan 0.000 0.472 239 V N 0.355 120.208 119.914 -0.100 0.000 3.114 239 V HA 0.987 5.107 4.120 -0.000 0.000 0.308 239 V C -0.995 175.039 176.094 -0.100 0.000 1.168 239 V CA 0.132 62.346 62.300 -0.143 0.000 1.015 239 V CB 1.852 33.567 31.823 -0.180 0.000 1.050 239 V HN 1.941 nan 8.190 nan 0.000 0.433 240 A N 3.218 125.989 122.820 -0.083 0.000 2.586 240 A HA 0.842 5.162 4.320 -0.000 0.000 0.291 240 A C -1.258 176.345 177.584 0.032 0.000 1.062 240 A CA 0.078 52.096 52.037 -0.032 0.000 0.666 240 A CB 1.527 20.517 19.000 -0.016 0.000 1.281 240 A HN 2.072 nan 8.150 nan 0.000 0.421 241 V N -1.354 118.598 119.914 0.064 0.000 2.960 241 V HA 1.077 5.197 4.120 -0.000 0.000 0.315 241 V C 0.191 176.358 176.094 0.121 0.000 1.087 241 V CA 0.234 62.630 62.300 0.160 0.000 0.982 241 V CB 1.303 33.224 31.823 0.162 0.000 1.039 241 V HN 2.469 nan 8.190 nan 0.000 0.437 242 G N 1.477 110.394 108.800 0.195 0.000 2.489 242 G HA2 0.548 4.508 3.960 -0.000 0.000 0.305 242 G HA3 0.548 4.508 3.960 -0.000 0.000 0.305 242 G C -1.851 173.142 174.900 0.156 0.000 1.311 242 G CA -0.398 44.729 45.100 0.046 0.000 0.813 242 G HN 1.041 nan 8.290 nan 0.000 0.480 243 E N -0.336 119.914 120.200 0.082 0.000 2.141 243 E HA 0.680 5.030 4.350 -0.000 0.000 0.259 243 E C -1.130 175.331 176.600 -0.231 0.000 0.883 243 E CA -0.752 55.665 56.400 0.029 0.000 0.744 243 E CB 0.692 30.415 29.700 0.037 0.000 1.150 243 E HN 0.259 nan 8.360 nan 0.000 0.420 244 F N 2.228 122.258 119.950 0.133 0.000 2.781 244 F HA 0.207 4.734 4.527 -0.000 0.000 0.322 244 F C 0.643 176.519 175.800 0.127 0.000 1.108 244 F CA -0.261 57.827 58.000 0.147 0.000 1.179 244 F CB 1.026 40.126 39.000 0.165 0.000 1.072 244 F HN 0.429 nan 8.300 nan 0.000 0.545 245 D N -1.386 119.133 120.400 0.198 0.000 2.582 245 D HA 0.253 4.893 4.640 -0.000 0.000 0.246 245 D C 1.630 177.977 176.300 0.078 0.000 1.334 245 D CA 0.547 54.623 54.000 0.128 0.000 0.805 245 D CB 0.170 41.015 40.800 0.075 0.000 1.087 245 D HN 0.241 nan 8.370 nan 0.000 0.499 246 G N 1.119 109.957 108.800 0.064 0.000 2.507 246 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.240 246 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.240 246 G C 0.120 175.032 174.900 0.021 0.000 1.119 246 G CA 0.391 45.512 45.100 0.036 0.000 0.664 246 G HN 0.605 nan 8.290 nan 0.000 0.516 247 D N 1.341 121.756 120.400 0.025 0.000 2.344 247 D HA 0.444 5.084 4.640 -0.000 0.000 0.253 247 D C 1.856 178.165 176.300 0.015 0.000 1.255 247 D CA -0.236 53.775 54.000 0.017 0.000 0.894 247 D CB 0.116 40.926 40.800 0.017 0.000 1.067 247 D HN 0.258 nan 8.370 nan 0.000 0.492 248 L N 3.370 124.599 121.223 0.009 0.000 2.291 248 L HA -0.069 4.271 4.340 -0.000 0.000 0.214 248 L C 1.899 178.778 176.870 0.015 0.000 1.120 248 L CA 0.298 55.144 54.840 0.009 0.000 0.799 248 L CB -0.386 41.674 42.059 0.002 0.000 0.925 248 L HN 0.411 nan 8.230 nan 0.000 0.446 249 N N 0.161 118.869 118.700 0.014 0.000 2.309 249 N HA -0.088 4.652 4.740 -0.000 0.000 0.182 249 N C 0.703 176.221 175.510 0.014 0.000 1.018 249 N CA 1.048 54.108 53.050 0.015 0.000 0.876 249 N CB 0.070 38.567 38.487 0.016 0.000 0.972 249 N HN 0.365 nan 8.380 nan 0.000 0.434 250 T N -3.380 111.181 114.554 0.011 0.000 2.945 250 T HA 0.561 4.911 4.350 -0.000 0.000 0.286 250 T C -0.174 174.519 174.700 -0.011 0.000 1.025 250 T CA -0.792 61.306 62.100 -0.004 0.000 1.039 250 T CB 1.785 70.653 68.868 0.001 0.000 1.068 250 T HN -0.132 nan 8.240 nan 0.000 0.497 251 T N 2.162 116.681 114.554 -0.058 0.000 2.829 251 T HA 0.549 4.899 4.350 -0.000 0.000 0.280 251 T C -0.650 173.936 174.700 -0.189 0.000 0.999 251 T CA -0.614 61.457 62.100 -0.048 0.000 0.983 251 T CB 1.500 70.377 68.868 0.014 0.000 0.968 251 T HN 0.656 nan 8.240 nan 0.000 0.446 252 E N 1.420 121.594 120.200 -0.043 0.000 2.214 252 E HA 0.524 4.874 4.350 -0.000 0.000 0.274 252 E C -1.131 175.520 176.600 0.086 0.000 0.977 252 E CA -0.536 55.832 56.400 -0.054 0.000 0.827 252 E CB 0.726 30.535 29.700 0.182 0.000 1.130 252 E HN 0.432 nan 8.360 nan 0.000 0.394 253 Y N 0.068 120.406 120.300 0.063 0.000 2.377 253 Y HA 0.474 5.024 4.550 -0.000 0.000 0.339 253 Y C -0.250 175.635 175.900 -0.024 0.000 1.011 253 Y CA -1.409 56.706 58.100 0.025 0.000 1.093 253 Y CB 1.113 39.589 38.460 0.027 0.000 1.201 253 Y HN 0.141 nan 8.280 nan 0.000 0.455 254 V N 4.199 124.172 119.914 0.098 0.000 2.370 254 V HA 0.555 4.675 4.120 -0.000 0.000 0.283 254 V C -0.380 175.636 176.094 -0.131 0.000 1.023 254 V CA -0.844 61.420 62.300 -0.060 0.000 0.857 254 V CB 1.354 33.119 31.823 -0.097 0.000 0.985 254 V HN 0.527 nan 8.190 nan 0.000 0.443 255 V N 3.426 123.210 119.914 -0.217 0.000 2.540 255 V HA 0.721 4.841 4.120 -0.000 0.000 0.302 255 V C 0.668 176.550 176.094 -0.354 0.000 1.035 255 V CA -0.467 61.580 62.300 -0.422 0.000 0.873 255 V CB 2.015 33.281 31.823 -0.928 0.000 0.992 255 V HN 0.948 nan 8.190 nan 0.000 0.428 256 G N 2.717 111.345 108.800 -0.286 0.000 2.325 256 G HA2 0.587 4.547 3.960 -0.000 0.000 0.298 256 G HA3 0.587 4.547 3.960 -0.000 0.000 0.298 256 G C -0.135 174.701 174.900 -0.108 0.000 1.134 256 G CA -0.058 44.940 45.100 -0.169 0.000 0.876 256 G HN 1.147 nan 8.290 nan 0.000 0.452 257 A N 5.053 127.863 122.820 -0.016 0.000 2.978 257 A HA 0.649 4.969 4.320 -0.000 0.000 0.341 257 A C -1.403 176.228 177.584 0.079 0.000 1.105 257 A CA -1.238 50.885 52.037 0.143 0.000 0.819 257 A CB 1.436 20.651 19.000 0.358 0.000 1.080 257 A HN 0.459 nan 8.150 nan 0.000 0.476 258 P HA -0.078 nan 4.420 nan 0.000 0.226 258 P C 0.958 178.039 177.300 -0.365 0.000 1.153 258 P CA 1.559 64.455 63.100 -0.341 0.000 0.777 258 P CB 0.042 31.212 31.700 -0.882 0.000 0.794 259 T N -7.020 107.404 114.554 -0.217 0.000 3.132 259 T HA 0.128 4.478 4.350 -0.000 0.000 0.274 259 T C 0.018 174.668 174.700 -0.083 0.000 1.011 259 T CA -0.773 61.230 62.100 -0.162 0.000 0.899 259 T CB -0.913 67.822 68.868 -0.222 0.000 1.089 259 T HN -0.052 nan 8.240 nan 0.000 0.543 260 W N 2.639 123.841 121.300 -0.163 0.000 2.293 260 W HA 0.361 5.021 4.660 -0.000 0.000 0.342 260 W C 0.698 177.103 176.519 -0.191 0.000 1.274 260 W CA 1.186 58.417 57.345 -0.191 0.000 1.290 260 W CB 0.166 29.539 29.460 -0.145 0.000 1.176 260 W HN 0.331 nan 8.180 nan 0.000 0.570 261 S N 6.700 121.742 115.700 -1.097 0.000 3.477 261 S HA -0.238 4.232 4.470 -0.000 0.000 0.426 261 S C 0.058 174.559 174.600 -0.165 0.000 0.874 261 S CA 0.746 58.397 58.200 -0.915 0.000 1.341 261 S CB -1.510 61.006 63.200 -1.140 0.000 0.917 261 S HN 0.981 nan 8.310 nan 0.000 0.607 262 W N 0.188 121.309 121.300 -0.298 0.000 5.963 262 W HA -0.342 4.318 4.660 -0.000 0.000 0.400 262 W C 1.276 177.738 176.519 -0.096 0.000 1.530 262 W CA 1.411 58.657 57.345 -0.164 0.000 1.004 262 W CB -3.059 26.310 29.460 -0.152 0.000 2.706 262 W HN 1.787 nan 8.180 nan 0.000 1.495 263 T N -4.877 109.689 114.554 0.020 0.000 6.157 263 T HA -0.379 3.971 4.350 -0.000 0.000 0.281 263 T C 0.791 175.547 174.700 0.093 0.000 2.039 263 T CA 1.389 63.522 62.100 0.054 0.000 3.312 263 T CB -1.686 67.244 68.868 0.104 0.000 1.589 263 T HN 0.352 nan 8.240 nan 0.000 1.129 264 L N 1.672 122.955 121.223 0.100 0.000 2.093 264 L HA 0.474 4.814 4.340 -0.000 0.000 0.208 264 L C 1.586 178.538 176.870 0.137 0.000 1.085 264 L CA 2.867 57.776 54.840 0.115 0.000 0.755 264 L CB -0.942 41.191 42.059 0.122 0.000 0.904 264 L HN 1.671 nan 8.230 nan 0.000 0.435 265 G N -1.393 107.527 108.800 0.200 0.000 2.712 265 G HA2 0.363 4.323 3.960 -0.000 0.000 0.686 265 G HA3 0.363 4.323 3.960 -0.000 0.000 0.686 265 G C -0.614 174.465 174.900 0.298 0.000 1.321 265 G CA -0.295 44.949 45.100 0.240 0.000 0.813 265 G HN 1.222 nan 8.290 nan 0.000 0.599 266 A N -0.434 122.553 122.820 0.278 0.000 2.597 266 A HA 0.915 5.235 4.320 -0.000 0.000 0.292 266 A C -0.802 176.818 177.584 0.060 0.000 1.057 266 A CA 0.144 52.229 52.037 0.079 0.000 0.674 266 A CB 1.778 20.459 19.000 -0.531 0.000 1.278 266 A HN 2.152 nan 8.150 nan 0.000 0.416 267 V N 1.150 121.079 119.914 0.026 0.000 2.656 267 V HA 0.575 4.695 4.120 -0.000 0.000 0.307 267 V C -0.351 175.659 176.094 -0.139 0.000 1.051 267 V CA -0.424 61.812 62.300 -0.106 0.000 0.893 267 V CB 1.817 33.530 31.823 -0.182 0.000 0.999 267 V HN 0.930 nan 8.190 nan 0.000 0.426 268 E N 3.723 123.862 120.200 -0.101 0.000 2.238 268 E HA 0.610 4.959 4.350 -0.000 0.000 0.267 268 E C -1.293 175.278 176.600 -0.048 0.000 0.887 268 E CA -0.711 55.672 56.400 -0.029 0.000 0.769 268 E CB 2.896 32.698 29.700 0.169 0.000 1.187 268 E HN 0.520 nan 8.360 nan 0.000 0.416 269 I N 3.963 124.501 120.570 -0.054 0.000 2.339 269 I HA 0.331 4.501 4.170 -0.000 0.000 0.290 269 I C -0.620 175.485 176.117 -0.019 0.000 0.994 269 I CA -0.441 60.805 61.300 -0.090 0.000 1.191 269 I CB 0.587 38.492 38.000 -0.158 0.000 1.343 269 I HN 0.250 nan 8.210 nan 0.000 0.458 270 L N 4.982 126.232 121.223 0.046 0.000 2.333 270 L HA 0.490 4.830 4.340 -0.000 0.000 0.263 270 L C -0.420 176.437 176.870 -0.022 0.000 1.014 270 L CA -1.029 53.867 54.840 0.092 0.000 0.820 270 L CB 1.823 44.055 42.059 0.288 0.000 1.352 270 L HN 0.552 nan 8.230 nan 0.000 0.421 271 D N -0.739 119.642 120.400 -0.031 0.000 2.411 271 D HA 0.057 4.697 4.640 -0.000 0.000 0.251 271 D C 0.892 177.005 176.300 -0.312 0.000 1.201 271 D CA -0.283 53.642 54.000 -0.124 0.000 0.996 271 D CB 0.922 41.720 40.800 -0.004 0.000 1.101 271 D HN 0.504 nan 8.370 nan 0.000 0.504 272 S N -1.374 114.054 115.700 -0.453 0.000 2.607 272 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 272 S C 1.057 175.265 174.600 -0.654 0.000 0.969 272 S CA 0.052 57.801 58.200 -0.751 0.000 0.927 272 S CB -0.749 62.071 63.200 -0.634 0.000 0.772 272 S HN 0.514 nan 8.310 nan 0.000 0.533 273 Y N 0.169 120.293 120.300 -0.293 0.000 2.466 273 Y HA 0.300 4.850 4.550 -0.000 0.000 0.272 273 Y C -0.133 175.808 175.900 0.069 0.000 1.169 273 Y CA -0.838 57.184 58.100 -0.130 0.000 1.285 273 Y CB -0.589 37.880 38.460 0.015 0.000 1.078 273 Y HN 0.200 nan 8.280 nan 0.000 0.523 274 Y N -1.482 118.984 120.300 0.275 0.000 4.569 274 Y HA -0.299 4.251 4.550 -0.000 0.000 0.237 274 Y C 0.245 176.342 175.900 0.328 0.000 1.090 274 Y CA -0.433 57.858 58.100 0.320 0.000 2.052 274 Y CB -2.554 36.073 38.460 0.279 0.000 1.621 274 Y HN 0.245 nan 8.280 nan 0.000 0.682 275 Q N 1.015 121.018 119.800 0.339 0.000 2.286 275 Q HA 0.346 4.686 4.340 -0.000 0.000 0.257 275 Q C 0.371 176.463 176.000 0.154 0.000 0.941 275 Q CA -0.672 55.257 55.803 0.209 0.000 0.912 275 Q CB 0.835 29.642 28.738 0.115 0.000 1.192 275 Q HN 0.267 nan 8.270 nan 0.000 0.410 276 R N 2.359 122.934 120.500 0.125 0.000 2.449 276 R HA 0.055 4.395 4.340 -0.000 0.000 0.296 276 R C 0.892 177.186 176.300 -0.009 0.000 1.047 276 R CA 0.118 56.270 56.100 0.086 0.000 1.018 276 R CB 0.489 30.844 30.300 0.091 0.000 0.962 276 R HN 0.595 nan 8.270 nan 0.000 0.428 277 L N 1.931 123.095 121.223 -0.098 0.000 2.286 277 L HA 0.134 4.474 4.340 -0.000 0.000 0.203 277 L C 0.284 176.890 176.870 -0.439 0.000 1.068 277 L CA 0.671 55.325 54.840 -0.310 0.000 0.811 277 L CB 0.072 41.865 42.059 -0.443 0.000 0.989 277 L HN 0.649 nan 8.230 nan 0.000 0.467 278 H N -1.399 117.655 119.070 -0.028 0.000 2.961 278 H HA 0.532 5.088 4.556 -0.000 0.000 0.371 278 H C -0.985 174.286 175.328 -0.094 0.000 1.190 278 H CA -0.801 55.207 56.048 -0.067 0.000 1.138 278 H CB 2.230 31.923 29.762 -0.115 0.000 1.816 278 H HN -0.144 nan 8.280 nan 0.000 0.551 279 R N 2.230 122.738 120.500 0.013 0.000 2.561 279 R HA 0.475 4.815 4.340 -0.000 0.000 0.297 279 R C -1.765 174.440 176.300 -0.158 0.000 0.969 279 R CA -0.796 55.233 56.100 -0.118 0.000 0.879 279 R CB 1.025 31.211 30.300 -0.189 0.000 1.178 279 R HN 0.535 nan 8.270 nan 0.000 0.445 280 L N 4.948 126.049 121.223 -0.203 0.000 2.298 280 L HA 0.551 4.891 4.340 -0.000 0.000 0.284 280 L C 0.053 176.818 176.870 -0.175 0.000 1.013 280 L CA -0.690 54.026 54.840 -0.207 0.000 0.824 280 L CB 1.677 43.553 42.059 -0.304 0.000 1.221 280 L HN 0.499 nan 8.230 nan 0.000 0.418 281 R N 1.460 121.811 120.500 -0.249 0.000 2.459 281 R HA 0.502 4.842 4.340 -0.000 0.000 0.281 281 R C 0.510 176.347 176.300 -0.773 0.000 1.050 281 R CA -0.563 55.353 56.100 -0.307 0.000 1.055 281 R CB 1.017 31.244 30.300 -0.121 0.000 1.045 281 R HN 0.757 nan 8.270 nan 0.000 0.495 282 G N 0.290 108.573 108.800 -0.862 0.000 2.636 282 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.246 282 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.246 282 G C 0.202 174.779 174.900 -0.539 0.000 1.216 282 G CA -0.281 44.087 45.100 -1.220 0.000 0.854 282 G HN 0.817 nan 8.290 nan 0.000 0.572 283 E N -1.121 118.877 120.200 -0.337 0.000 2.251 283 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 283 E C 0.794 177.468 176.600 0.122 0.000 0.964 283 E CA 0.243 56.632 56.400 -0.018 0.000 0.868 283 E CB 0.174 29.978 29.700 0.173 0.000 0.828 283 E HN 0.500 nan 8.360 nan 0.000 0.481 284 Q N 0.678 120.589 119.800 0.185 0.000 2.271 284 Q HA 0.266 4.605 4.340 -0.000 0.000 0.268 284 Q C -1.220 174.880 176.000 0.166 0.000 1.021 284 Q CA -0.528 55.392 55.803 0.193 0.000 0.802 284 Q CB 1.546 30.444 28.738 0.266 0.000 1.282 284 Q HN 0.075 nan 8.270 nan 0.000 0.431 285 M N 2.537 122.208 119.600 0.117 0.000 2.250 285 M HA 0.113 4.593 4.480 -0.000 0.000 0.337 285 M C 0.971 177.360 176.300 0.149 0.000 1.161 285 M CA 1.643 57.015 55.300 0.121 0.000 1.088 285 M CB 0.489 33.145 32.600 0.092 0.000 1.639 285 M HN 1.022 nan 8.290 nan 0.000 0.447 286 A N 0.802 123.730 122.820 0.181 0.000 3.396 286 A HA -0.211 4.108 4.320 -0.000 0.000 0.267 286 A C 1.523 179.288 177.584 0.301 0.000 1.139 286 A CA 1.377 53.555 52.037 0.236 0.000 1.115 286 A CB -2.564 16.544 19.000 0.180 0.000 1.133 286 A HN 1.032 nan 8.150 nan 0.000 0.920 287 S N -2.370 113.512 115.700 0.304 0.000 2.515 287 S HA 0.095 4.565 4.470 -0.000 0.000 0.231 287 S C 0.753 175.626 174.600 0.456 0.000 0.987 287 S CA 1.224 59.650 58.200 0.377 0.000 0.936 287 S CB -0.494 62.988 63.200 0.469 0.000 0.766 287 S HN 1.669 nan 8.310 nan 0.000 0.528 288 Y N -0.177 120.262 120.300 0.230 0.000 3.589 288 Y HA -0.230 4.320 4.550 -0.000 0.000 0.218 288 Y C 0.050 176.085 175.900 0.226 0.000 1.234 288 Y CA 0.006 58.221 58.100 0.191 0.000 1.576 288 Y CB -2.541 36.007 38.460 0.147 0.000 1.487 288 Y HN 0.564 nan 8.280 nan 0.000 0.616 289 F N 1.298 121.324 119.950 0.127 0.000 2.546 289 F HA 0.352 4.878 4.527 -0.000 0.000 0.388 289 F C 1.243 177.041 175.800 -0.004 0.000 1.051 289 F CA 1.662 59.706 58.000 0.074 0.000 1.130 289 F CB 0.123 39.125 39.000 0.004 0.000 1.044 289 F HN 0.381 nan 8.300 nan 0.000 0.553 290 G N 4.228 112.847 108.800 -0.302 0.000 2.175 290 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.182 290 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.182 290 G C 1.232 176.087 174.900 -0.075 0.000 1.003 290 G CA 0.140 45.101 45.100 -0.232 0.000 0.666 290 G HN 0.768 nan 8.290 nan 0.000 0.506 291 H N 0.710 119.749 119.070 -0.051 0.000 2.352 291 H HA 0.108 4.664 4.556 -0.000 0.000 0.299 291 H C 0.553 175.931 175.328 0.083 0.000 1.097 291 H CA 2.150 58.241 56.048 0.072 0.000 1.311 291 H CB 0.264 30.140 29.762 0.189 0.000 1.377 291 H HN 0.381 nan 8.280 nan 0.000 0.504 292 S N -0.190 115.585 115.700 0.126 0.000 2.548 292 S HA 0.511 4.981 4.470 -0.000 0.000 0.286 292 S C -0.916 173.654 174.600 -0.049 0.000 1.098 292 S CA -0.396 57.824 58.200 0.034 0.000 0.930 292 S CB 2.834 66.080 63.200 0.075 0.000 1.070 292 S HN 0.289 nan 8.310 nan 0.000 0.480 293 V N -0.947 118.932 119.914 -0.057 0.000 2.888 293 V HA 1.050 5.170 4.120 -0.000 0.000 0.309 293 V C -0.708 175.369 176.094 -0.029 0.000 1.114 293 V CA -0.965 61.296 62.300 -0.065 0.000 0.940 293 V CB 1.147 32.912 31.823 -0.095 0.000 1.021 293 V HN 1.129 nan 8.190 nan 0.000 0.426 294 A N 3.077 125.898 122.820 0.001 0.000 2.455 294 A HA 0.906 5.226 4.320 -0.000 0.000 0.300 294 A C -1.164 176.461 177.584 0.068 0.000 1.040 294 A CA -0.685 51.367 52.037 0.024 0.000 0.697 294 A CB 2.186 21.198 19.000 0.021 0.000 1.265 294 A HN 1.452 nan 8.150 nan 0.000 0.407 295 V N 1.607 121.556 119.914 0.057 0.000 2.444 295 V HA 0.855 4.975 4.120 -0.000 0.000 0.294 295 V C 0.019 176.112 176.094 -0.002 0.000 1.022 295 V CA -0.047 62.295 62.300 0.071 0.000 0.850 295 V CB 1.382 33.227 31.823 0.036 0.000 0.992 295 V HN 1.148 nan 8.190 nan 0.000 0.426 296 T N 2.367 116.975 114.554 0.090 0.000 2.893 296 T HA 0.274 4.624 4.350 -0.000 0.000 0.337 296 T C -2.018 172.809 174.700 0.211 0.000 1.587 296 T CA -0.574 61.620 62.100 0.157 0.000 1.066 296 T CB 1.771 70.706 68.868 0.113 0.000 1.414 296 T HN 0.755 nan 8.240 nan 0.000 0.488 297 D N 2.441 122.975 120.400 0.223 0.000 2.365 297 D HA 0.343 4.983 4.640 -0.000 0.000 0.237 297 D C 1.432 177.811 176.300 0.131 0.000 1.190 297 D CA -0.177 53.905 54.000 0.138 0.000 0.867 297 D CB 0.937 41.767 40.800 0.050 0.000 1.050 297 D HN 0.410 nan 8.370 nan 0.000 0.491 298 V N 1.926 121.918 119.914 0.130 0.000 3.471 298 V HA 0.132 4.252 4.120 -0.000 0.000 0.258 298 V C 1.122 177.309 176.094 0.155 0.000 1.192 298 V CA 0.536 62.916 62.300 0.133 0.000 1.116 298 V CB -0.400 31.479 31.823 0.093 0.000 0.792 298 V HN 0.564 nan 8.190 nan 0.000 0.459 299 N N 0.944 119.733 118.700 0.148 0.000 2.214 299 N HA 0.233 4.973 4.740 -0.000 0.000 0.214 299 N C 1.384 177.090 175.510 0.326 0.000 1.132 299 N CA 0.525 53.665 53.050 0.149 0.000 0.856 299 N CB 0.499 39.019 38.487 0.055 0.000 1.020 299 N HN 0.837 nan 8.380 nan 0.000 0.509 300 G N 1.799 110.784 108.800 0.309 0.000 2.153 300 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.252 300 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.252 300 G C 0.271 175.214 174.900 0.071 0.000 0.994 300 G CA 0.584 45.787 45.100 0.170 0.000 0.698 300 G HN 0.637 nan 8.290 nan 0.000 0.521 301 D N -0.441 120.000 120.400 0.068 0.000 2.349 301 D HA 0.351 4.991 4.640 -0.000 0.000 0.214 301 D C 1.748 178.039 176.300 -0.015 0.000 1.063 301 D CA 0.539 54.555 54.000 0.027 0.000 0.847 301 D CB -0.523 40.300 40.800 0.037 0.000 0.933 301 D HN 1.521 nan 8.370 nan 0.000 0.513 302 G N 0.722 109.499 108.800 -0.038 0.000 2.159 302 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.256 302 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.256 302 G C 0.111 174.918 174.900 -0.155 0.000 0.977 302 G CA -0.150 44.893 45.100 -0.095 0.000 0.652 302 G HN 0.425 nan 8.290 nan 0.000 0.531 303 R N 0.161 120.594 120.500 -0.112 0.000 2.338 303 R HA 0.414 4.754 4.340 -0.000 0.000 0.317 303 R C -0.207 176.019 176.300 -0.123 0.000 0.968 303 R CA -0.797 55.221 56.100 -0.136 0.000 0.849 303 R CB 0.767 31.043 30.300 -0.040 0.000 1.128 303 R HN 0.527 nan 8.270 nan 0.000 0.448 304 H N 1.594 120.540 119.070 -0.207 0.000 3.034 304 H HA -0.025 4.531 4.556 -0.000 0.000 0.324 304 H C -0.187 175.073 175.328 -0.113 0.000 1.015 304 H CA 0.307 56.203 56.048 -0.254 0.000 1.429 304 H CB 0.609 30.025 29.762 -0.576 0.000 1.429 304 H HN 0.368 nan 8.280 nan 0.000 0.585 305 D N 2.302 122.830 120.400 0.213 0.000 2.268 305 D HA 0.217 4.857 4.640 -0.000 0.000 0.249 305 D C -0.427 176.104 176.300 0.385 0.000 1.008 305 D CA -0.684 53.491 54.000 0.292 0.000 0.939 305 D CB 2.199 43.119 40.800 0.200 0.000 1.170 305 D HN 0.135 nan 8.370 nan 0.000 0.468 306 L N 0.877 122.348 121.223 0.412 0.000 2.329 306 L HA 0.483 4.823 4.340 -0.000 0.000 0.279 306 L C -1.527 175.526 176.870 0.304 0.000 1.014 306 L CA -0.467 54.573 54.840 0.333 0.000 0.814 306 L CB 1.220 43.390 42.059 0.185 0.000 1.257 306 L HN 0.270 nan 8.230 nan 0.000 0.424 307 L N 5.478 126.819 121.223 0.196 0.000 2.362 307 L HA 0.740 5.079 4.340 -0.000 0.000 0.275 307 L C -0.973 175.954 176.870 0.095 0.000 0.998 307 L CA -0.674 54.259 54.840 0.155 0.000 0.820 307 L CB 2.101 44.203 42.059 0.072 0.000 1.270 307 L HN 0.341 nan 8.230 nan 0.000 0.415 308 V N 1.343 121.328 119.914 0.118 0.000 2.735 308 V HA 0.756 4.876 4.120 -0.000 0.000 0.310 308 V C 0.224 176.314 176.094 -0.007 0.000 1.061 308 V CA -0.596 61.659 62.300 -0.076 0.000 0.913 308 V CB 1.994 33.594 31.823 -0.371 0.000 1.005 308 V HN 0.820 nan 8.190 nan 0.000 0.428 309 G N 2.022 110.782 108.800 -0.067 0.000 2.415 309 G HA2 0.660 4.620 3.960 -0.000 0.000 0.327 309 G HA3 0.660 4.620 3.960 -0.000 0.000 0.327 309 G C -0.482 174.479 174.900 0.101 0.000 1.182 309 G CA -0.301 44.827 45.100 0.046 0.000 0.924 309 G HN 1.146 nan 8.290 nan 0.000 0.470 310 A N 4.249 127.230 122.820 0.269 0.000 2.978 310 A HA 0.660 4.980 4.320 -0.000 0.000 0.341 310 A C -1.437 176.354 177.584 0.344 0.000 1.105 310 A CA -1.286 50.978 52.037 0.379 0.000 0.819 310 A CB 1.383 20.755 19.000 0.620 0.000 1.080 310 A HN 0.435 nan 8.150 nan 0.000 0.476 311 P HA -0.078 nan 4.420 nan 0.000 0.226 311 P C 0.637 178.073 177.300 0.227 0.000 1.153 311 P CA 0.873 64.075 63.100 0.171 0.000 0.777 311 P CB 0.218 31.900 31.700 -0.030 0.000 0.794 312 L N -1.857 119.523 121.223 0.261 0.000 2.872 312 L HA 0.246 4.585 4.340 -0.000 0.000 0.245 312 L C 0.695 177.727 176.870 0.270 0.000 1.211 312 L CA -0.927 54.059 54.840 0.243 0.000 1.013 312 L CB -0.672 41.509 42.059 0.204 0.000 1.326 312 L HN -0.101 nan 8.230 nan 0.000 0.525 313 Y N 2.157 122.586 120.300 0.216 0.000 2.620 313 Y HA 0.127 4.677 4.550 -0.000 0.000 0.330 313 Y C 0.343 176.327 175.900 0.141 0.000 1.186 313 Y CA 0.236 58.456 58.100 0.200 0.000 1.467 313 Y CB 0.465 39.061 38.460 0.227 0.000 1.262 313 Y HN 0.071 nan 8.280 nan 0.000 0.550 314 M N 6.576 125.823 119.600 -0.587 0.000 2.129 314 M HA 0.215 4.695 4.480 -0.000 0.000 0.348 314 M C -0.482 175.437 176.300 -0.635 0.000 1.116 314 M CA -0.302 54.747 55.300 -0.418 0.000 1.022 314 M CB 1.295 33.758 32.600 -0.229 0.000 1.599 314 M HN 0.677 nan 8.290 nan 0.000 0.449 315 E N 1.802 121.861 120.200 -0.235 0.000 2.301 315 E HA 0.277 4.627 4.350 -0.000 0.000 0.275 315 E C -0.746 175.821 176.600 -0.054 0.000 1.030 315 E CA -0.317 56.058 56.400 -0.043 0.000 0.852 315 E CB 1.175 30.926 29.700 0.084 0.000 1.060 315 E HN 0.596 nan 8.360 nan 0.000 0.401 316 S N 3.121 118.815 115.700 -0.010 0.000 2.565 316 S HA 0.356 4.826 4.470 -0.000 0.000 0.276 316 S C -0.062 174.535 174.600 -0.004 0.000 1.326 316 S CA -0.350 57.844 58.200 -0.011 0.000 1.045 316 S CB 0.829 64.035 63.200 0.009 0.000 0.918 316 S HN 0.432 nan 8.310 nan 0.000 0.505 317 R N 0.169 120.662 120.500 -0.012 0.000 2.846 317 R HA 0.636 4.976 4.340 -0.000 0.000 0.263 317 R C -0.715 175.579 176.300 -0.009 0.000 1.080 317 R CA -1.131 54.962 56.100 -0.011 0.000 0.961 317 R CB 1.043 31.331 30.300 -0.020 0.000 1.231 317 R HN 0.670 nan 8.270 nan 0.000 0.465 318 A N 1.077 123.892 122.820 -0.009 0.000 2.587 318 A HA 0.064 4.384 4.320 -0.000 0.000 0.235 318 A C -0.433 177.147 177.584 -0.007 0.000 1.044 318 A CA 0.791 52.824 52.037 -0.007 0.000 0.754 318 A CB -0.410 18.586 19.000 -0.007 0.000 0.968 318 A HN 0.791 nan 8.150 nan 0.000 0.509 319 D N 0.361 120.758 120.400 -0.005 0.000 2.718 319 D HA -0.178 4.462 4.640 -0.000 0.000 0.242 319 D C 0.440 176.736 176.300 -0.005 0.000 1.123 319 D CA 1.481 55.479 54.000 -0.004 0.000 0.690 319 D CB -1.268 39.530 40.800 -0.004 0.000 1.059 319 D HN 0.822 nan 8.370 nan 0.000 0.429 320 R N -2.153 118.344 120.500 -0.005 0.000 3.741 320 R HA -0.268 4.072 4.340 -0.000 0.000 0.292 320 R C -0.070 176.224 176.300 -0.010 0.000 1.176 320 R CA 1.169 57.266 56.100 -0.006 0.000 0.794 320 R CB -1.271 29.027 30.300 -0.004 0.000 1.213 320 R HN 0.401 nan 8.270 nan 0.000 0.494 321 K N 0.902 121.294 120.400 -0.013 0.000 2.130 321 K HA 0.473 4.793 4.320 -0.000 0.000 0.268 321 K C 0.156 176.739 176.600 -0.027 0.000 0.983 321 K CA -0.523 55.753 56.287 -0.017 0.000 0.893 321 K CB 1.103 33.593 32.500 -0.017 0.000 1.066 321 K HN -0.027 nan 8.250 nan 0.000 0.450 322 L N 1.319 122.521 121.223 -0.034 0.000 2.334 322 L HA 0.639 4.979 4.340 -0.000 0.000 0.272 322 L C -0.472 176.360 176.870 -0.062 0.000 1.020 322 L CA -0.803 54.004 54.840 -0.055 0.000 0.812 322 L CB 1.879 43.902 42.059 -0.060 0.000 1.264 322 L HN 0.677 nan 8.230 nan 0.000 0.439 323 A N 1.598 124.369 122.820 -0.081 0.000 2.446 323 A HA 0.298 4.618 4.320 -0.000 0.000 0.282 323 A C -0.637 176.893 177.584 -0.091 0.000 1.102 323 A CA -0.510 51.467 52.037 -0.100 0.000 0.737 323 A CB 0.956 19.900 19.000 -0.093 0.000 1.212 323 A HN 0.717 nan 8.150 nan 0.000 0.434 324 E N 2.117 122.265 120.200 -0.087 0.000 2.383 324 E HA 0.227 4.577 4.350 -0.000 0.000 0.257 324 E C 0.603 177.215 176.600 0.019 0.000 1.079 324 E CA 0.597 57.001 56.400 0.006 0.000 0.934 324 E CB 0.468 30.248 29.700 0.133 0.000 0.978 324 E HN 0.843 nan 8.360 nan 0.000 0.462 325 V N 1.246 121.219 119.914 0.097 0.000 3.408 325 V HA 0.446 4.566 4.120 -0.000 0.000 0.263 325 V C 0.595 176.830 176.094 0.235 0.000 1.503 325 V CA 0.419 62.795 62.300 0.127 0.000 1.046 325 V CB 0.030 31.892 31.823 0.064 0.000 0.851 325 V HN 0.811 nan 8.190 nan 0.000 0.435 326 G N 0.725 109.710 108.800 0.309 0.000 2.690 326 G HA2 0.072 4.032 3.960 -0.000 0.000 0.686 326 G HA3 0.072 4.032 3.960 -0.000 0.000 0.686 326 G C -0.727 174.412 174.900 0.399 0.000 1.277 326 G CA -0.131 45.200 45.100 0.386 0.000 0.799 326 G HN 0.885 nan 8.290 nan 0.000 0.613 327 R N -0.572 120.144 120.500 0.360 0.000 2.643 327 R HA 0.696 5.036 4.340 -0.000 0.000 0.269 327 R C -1.249 175.128 176.300 0.129 0.000 1.037 327 R CA -0.811 55.372 56.100 0.138 0.000 0.894 327 R CB 2.163 32.252 30.300 -0.352 0.000 1.238 327 R HN 0.846 nan 8.270 nan 0.000 0.459 328 V N 3.696 123.628 119.914 0.031 0.000 2.604 328 V HA 0.505 4.625 4.120 -0.000 0.000 0.305 328 V C -1.357 174.620 176.094 -0.196 0.000 1.043 328 V CA -0.668 61.630 62.300 -0.004 0.000 0.888 328 V CB 1.739 33.540 31.823 -0.037 0.000 0.995 328 V HN 0.623 nan 8.190 nan 0.000 0.429 329 Y N 4.286 124.568 120.300 -0.030 0.000 2.335 329 Y HA 0.641 5.191 4.550 -0.000 0.000 0.338 329 Y C -0.229 175.544 175.900 -0.212 0.000 0.977 329 Y CA -0.920 57.100 58.100 -0.134 0.000 1.114 329 Y CB 1.687 40.173 38.460 0.043 0.000 1.182 329 Y HN 0.490 nan 8.280 nan 0.000 0.463 330 L N 4.807 125.888 121.223 -0.236 0.000 2.275 330 L HA 0.601 4.941 4.340 -0.000 0.000 0.288 330 L C -1.699 174.948 176.870 -0.372 0.000 1.046 330 L CA -0.706 54.033 54.840 -0.168 0.000 0.805 330 L CB -0.003 41.982 42.059 -0.124 0.000 1.193 330 L HN 0.405 nan 8.230 nan 0.000 0.426 331 F N 5.908 125.912 119.950 0.090 0.000 2.434 331 F HA 0.459 4.986 4.527 -0.000 0.000 0.355 331 F C -0.240 175.620 175.800 0.101 0.000 1.115 331 F CA -0.595 57.456 58.000 0.085 0.000 1.010 331 F CB 1.063 40.108 39.000 0.074 0.000 1.234 331 F HN 0.237 nan 8.300 nan 0.000 0.439 332 L N 3.130 124.473 121.223 0.200 0.000 2.371 332 L HA 0.301 4.641 4.340 -0.000 0.000 0.272 332 L C 0.295 177.275 176.870 0.183 0.000 1.124 332 L CA -0.415 54.523 54.840 0.163 0.000 0.816 332 L CB 0.942 43.054 42.059 0.089 0.000 1.129 332 L HN 0.595 nan 8.230 nan 0.000 0.448 333 Q N 4.920 124.829 119.800 0.182 0.000 2.279 333 Q HA 0.309 4.649 4.340 -0.000 0.000 0.256 333 Q C -2.235 173.833 176.000 0.114 0.000 0.937 333 Q CA -1.699 54.211 55.803 0.180 0.000 0.933 333 Q CB 1.466 30.322 28.738 0.196 0.000 1.189 333 Q HN 0.312 nan 8.270 nan 0.000 0.417 334 P HA 0.196 nan 4.420 nan 0.000 0.293 334 P C -1.030 176.316 177.300 0.077 0.000 1.304 334 P CA -0.457 62.680 63.100 0.062 0.000 0.767 334 P CB 0.941 32.664 31.700 0.039 0.000 1.247 335 R N -1.113 119.412 120.500 0.042 0.000 2.532 335 R HA 0.515 4.855 4.340 -0.000 0.000 0.272 335 R C 0.440 176.852 176.300 0.187 0.000 1.032 335 R CA 0.544 56.688 56.100 0.074 0.000 1.089 335 R CB 0.019 30.338 30.300 0.032 0.000 1.098 335 R HN 0.850 nan 8.270 nan 0.000 0.526 336 G N 2.477 111.389 108.800 0.187 0.000 2.750 336 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.228 336 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.228 336 G C -2.279 172.748 174.900 0.211 0.000 1.367 336 G CA -0.385 44.858 45.100 0.238 0.000 0.871 336 G HN 0.579 nan 8.290 nan 0.000 0.560 337 P HA 0.228 nan 4.420 nan 0.000 0.235 337 P C -0.543 176.604 177.300 -0.254 0.000 1.765 337 P CA 0.554 63.611 63.100 -0.072 0.000 1.034 337 P CB -0.637 30.997 31.700 -0.110 0.000 1.984 338 H N 0.249 119.371 119.070 0.088 0.000 2.589 338 H HA 0.589 5.145 4.556 -0.000 0.000 0.351 338 H C 0.238 175.625 175.328 0.098 0.000 1.074 338 H CA -0.621 55.476 56.048 0.081 0.000 1.203 338 H CB 1.804 31.601 29.762 0.058 0.000 1.558 338 H HN 0.232 nan 8.280 nan 0.000 0.522 339 A N 2.421 125.345 122.820 0.172 0.000 2.296 339 A HA 0.358 4.678 4.320 -0.000 0.000 0.264 339 A C -0.412 177.086 177.584 -0.144 0.000 1.097 339 A CA -0.526 51.512 52.037 0.001 0.000 0.811 339 A CB 0.267 19.285 19.000 0.031 0.000 1.072 339 A HN 0.533 nan 8.150 nan 0.000 0.495 340 L N 1.075 122.014 121.223 -0.475 0.000 2.490 340 L HA 0.361 4.701 4.340 -0.000 0.000 0.274 340 L C 1.193 178.015 176.870 -0.080 0.000 1.201 340 L CA 1.405 56.120 54.840 -0.209 0.000 0.869 340 L CB 0.194 42.068 42.059 -0.307 0.000 1.123 340 L HN 0.880 nan 8.230 nan 0.000 0.484 341 G N 1.786 110.631 108.800 0.076 0.000 2.849 341 G HA2 0.663 4.623 3.960 -0.000 0.000 0.174 341 G HA3 0.663 4.623 3.960 -0.000 0.000 0.174 341 G C -0.484 174.549 174.900 0.222 0.000 1.370 341 G CA -0.062 45.103 45.100 0.108 0.000 1.040 341 G HN 0.875 nan 8.290 nan 0.000 0.582 342 A N -0.026 122.898 122.820 0.173 0.000 2.346 342 A HA 0.610 4.930 4.320 -0.000 0.000 0.252 342 A C -2.149 175.507 177.584 0.120 0.000 1.089 342 A CA -0.670 51.479 52.037 0.186 0.000 0.797 342 A CB -0.367 18.688 19.000 0.092 0.000 1.047 342 A HN 0.395 nan 8.150 nan 0.000 0.494 343 P HA 0.213 nan 4.420 nan 0.000 0.271 343 P C 0.317 177.493 177.300 -0.205 0.000 1.216 343 P CA 0.005 62.839 63.100 -0.443 0.000 0.776 343 P CB 0.934 32.366 31.700 -0.446 0.000 0.881 344 S N 1.082 116.663 115.700 -0.197 0.000 2.470 344 S HA 0.090 4.560 4.470 -0.000 0.000 0.225 344 S C 0.461 174.987 174.600 -0.122 0.000 1.006 344 S CA 0.505 58.641 58.200 -0.107 0.000 0.934 344 S CB -0.346 62.816 63.200 -0.064 0.000 0.778 344 S HN 0.385 nan 8.310 nan 0.000 0.517 345 L N 0.673 121.790 121.223 -0.177 0.000 2.549 345 L HA 0.474 4.814 4.340 -0.000 0.000 0.259 345 L C -2.089 174.641 176.870 -0.233 0.000 0.934 345 L CA -0.385 54.352 54.840 -0.172 0.000 0.865 345 L CB 1.369 43.337 42.059 -0.152 0.000 1.352 345 L HN -0.027 nan 8.230 nan 0.000 0.410 346 L N 5.532 126.613 121.223 -0.237 0.000 2.313 346 L HA 0.572 4.912 4.340 -0.000 0.000 0.283 346 L C -0.970 175.735 176.870 -0.276 0.000 1.013 346 L CA -0.623 54.016 54.840 -0.336 0.000 0.816 346 L CB 1.582 43.424 42.059 -0.362 0.000 1.236 346 L HN 0.482 nan 8.230 nan 0.000 0.419 347 L N 3.378 124.438 121.223 -0.272 0.000 2.280 347 L HA 0.497 4.837 4.340 -0.000 0.000 0.287 347 L C -0.172 176.579 176.870 -0.199 0.000 1.023 347 L CA -0.212 54.505 54.840 -0.205 0.000 0.819 347 L CB 1.702 43.656 42.059 -0.176 0.000 1.212 347 L HN 0.568 nan 8.230 nan 0.000 0.420 348 T N 1.559 115.917 114.554 -0.326 0.000 2.824 348 T HA 0.459 4.809 4.350 -0.000 0.000 0.280 348 T C 0.559 174.881 174.700 -0.630 0.000 0.995 348 T CA -0.531 61.373 62.100 -0.327 0.000 1.009 348 T CB 1.793 70.565 68.868 -0.160 0.000 0.955 348 T HN 0.690 nan 8.240 nan 0.000 0.452 349 G N 0.914 109.342 108.800 -0.620 0.000 2.636 349 G HA2 0.358 4.318 3.960 -0.000 0.000 0.246 349 G HA3 0.358 4.318 3.960 -0.000 0.000 0.246 349 G C 1.020 175.788 174.900 -0.220 0.000 1.216 349 G CA 0.101 44.871 45.100 -0.551 0.000 0.854 349 G HN 0.810 nan 8.290 nan 0.000 0.572 350 T N -2.799 111.677 114.554 -0.129 0.000 2.999 350 T HA 0.158 4.508 4.350 -0.000 0.000 0.247 350 T C 0.971 175.662 174.700 -0.015 0.000 1.012 350 T CA 0.106 62.168 62.100 -0.063 0.000 1.048 350 T CB 0.064 68.900 68.868 -0.055 0.000 1.020 350 T HN 0.421 nan 8.240 nan 0.000 0.478 351 Q N 1.717 121.533 119.800 0.026 0.000 2.286 351 Q HA 0.494 4.834 4.340 -0.000 0.000 0.257 351 Q C -0.563 175.455 176.000 0.030 0.000 0.941 351 Q CA -0.785 55.045 55.803 0.045 0.000 0.912 351 Q CB 0.781 29.579 28.738 0.099 0.000 1.192 351 Q HN 0.448 nan 8.270 nan 0.000 0.410 352 L N 5.523 126.717 121.223 -0.047 0.000 2.525 352 L HA -0.009 4.331 4.340 -0.000 0.000 0.278 352 L C -0.586 176.231 176.870 -0.087 0.000 1.218 352 L CA 0.964 55.678 54.840 -0.209 0.000 0.878 352 L CB -0.305 41.524 42.059 -0.384 0.000 1.127 352 L HN 0.812 nan 8.230 nan 0.000 0.492 353 Y N 1.671 122.023 120.300 0.086 0.000 4.324 353 Y HA -0.247 4.303 4.550 -0.000 0.000 0.224 353 Y C 1.685 177.685 175.900 0.166 0.000 1.113 353 Y CA 0.916 59.070 58.100 0.090 0.000 1.887 353 Y CB -2.279 36.203 38.460 0.037 0.000 1.602 353 Y HN 0.699 nan 8.280 nan 0.000 0.654 354 G N -0.159 108.820 108.800 0.298 0.000 2.484 354 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.218 354 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.218 354 G C 0.916 176.033 174.900 0.362 0.000 1.130 354 G CA 0.403 45.701 45.100 0.329 0.000 0.784 354 G HN 0.477 nan 8.290 nan 0.000 0.543 355 R N -1.516 119.180 120.500 0.325 0.000 3.336 355 R HA -0.189 4.151 4.340 -0.000 0.000 0.260 355 R C -0.239 176.205 176.300 0.239 0.000 1.032 355 R CA 0.159 56.422 56.100 0.271 0.000 0.693 355 R CB -2.424 28.048 30.300 0.287 0.000 1.134 355 R HN 0.375 nan 8.270 nan 0.000 0.433 356 F N 0.982 121.012 119.950 0.133 0.000 2.608 356 F HA 0.230 4.757 4.527 -0.000 0.000 0.380 356 F C 1.579 177.430 175.800 0.084 0.000 1.083 356 F CA 1.827 59.891 58.000 0.107 0.000 1.266 356 F CB 0.668 39.732 39.000 0.107 0.000 1.076 356 F HN 0.403 nan 8.300 nan 0.000 0.574 357 G N 3.265 111.766 108.800 -0.498 0.000 2.141 357 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.242 357 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.242 357 G C 1.059 175.884 174.900 -0.125 0.000 0.982 357 G CA 0.501 45.420 45.100 -0.301 0.000 0.662 357 G HN 0.916 nan 8.290 nan 0.000 0.527 358 S N -0.754 114.866 115.700 -0.134 0.000 2.402 358 S HA 0.501 4.971 4.470 -0.000 0.000 0.229 358 S C 1.295 175.852 174.600 -0.071 0.000 1.021 358 S CA 2.027 60.127 58.200 -0.167 0.000 0.974 358 S CB -0.098 63.031 63.200 -0.120 0.000 0.800 358 S HN 1.940 nan 8.310 nan 0.000 0.484 359 A N 0.261 123.005 122.820 -0.127 0.000 2.486 359 A HA 0.741 5.061 4.320 -0.000 0.000 0.300 359 A C -1.257 176.252 177.584 -0.126 0.000 1.048 359 A CA -0.681 51.280 52.037 -0.127 0.000 0.696 359 A CB 1.130 20.019 19.000 -0.185 0.000 1.278 359 A HN 0.356 nan 8.150 nan 0.000 0.405 360 I N 1.477 121.993 120.570 -0.089 0.000 2.447 360 I HA 0.597 4.767 4.170 -0.000 0.000 0.287 360 I C 0.160 176.257 176.117 -0.033 0.000 1.023 360 I CA -0.509 60.750 61.300 -0.067 0.000 1.083 360 I CB 2.080 40.047 38.000 -0.055 0.000 1.245 360 I HN 0.737 nan 8.210 nan 0.000 0.434 361 A N 7.703 130.517 122.820 -0.010 0.000 2.318 361 A HA 0.832 5.152 4.320 -0.000 0.000 0.317 361 A C -2.753 174.859 177.584 0.047 0.000 1.159 361 A CA -1.735 50.312 52.037 0.017 0.000 0.799 361 A CB 0.859 19.870 19.000 0.018 0.000 1.194 361 A HN 0.345 nan 8.150 nan 0.000 0.479 362 P HA 0.211 nan 4.420 nan 0.000 0.271 362 P C 0.260 177.606 177.300 0.077 0.000 1.220 362 P CA 0.065 63.207 63.100 0.069 0.000 0.768 362 P CB 0.613 32.352 31.700 0.065 0.000 0.848 363 L N 1.907 123.177 121.223 0.078 0.000 2.616 363 L HA 0.270 4.610 4.340 -0.000 0.000 0.229 363 L C 1.388 178.291 176.870 0.054 0.000 1.110 363 L CA 0.376 55.260 54.840 0.074 0.000 0.884 363 L CB -0.618 41.486 42.059 0.074 0.000 1.115 363 L HN 0.681 nan 8.230 nan 0.000 0.481 364 G N 0.744 109.576 108.800 0.053 0.000 2.645 364 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.239 364 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.239 364 G C -0.428 174.496 174.900 0.041 0.000 1.331 364 G CA -0.218 44.903 45.100 0.035 0.000 0.890 364 G HN 0.205 nan 8.290 nan 0.000 0.572 365 D N 0.641 121.051 120.400 0.016 0.000 2.453 365 D HA 0.353 4.993 4.640 -0.000 0.000 0.223 365 D C 1.612 177.928 176.300 0.027 0.000 1.183 365 D CA -0.429 53.584 54.000 0.021 0.000 0.933 365 D CB 0.787 41.575 40.800 -0.019 0.000 1.038 365 D HN 0.414 nan 8.370 nan 0.000 0.513 366 L N 3.448 124.712 121.223 0.068 0.000 2.131 366 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 366 L C 1.228 178.199 176.870 0.168 0.000 1.092 366 L CA 1.722 56.625 54.840 0.104 0.000 0.759 366 L CB 0.049 42.162 42.059 0.091 0.000 0.903 366 L HN 0.361 nan 8.230 nan 0.000 0.435 367 D N -2.194 118.285 120.400 0.132 0.000 2.469 367 D HA 0.034 4.673 4.640 -0.000 0.000 0.215 367 D C 0.437 176.798 176.300 0.101 0.000 1.154 367 D CA -0.332 53.769 54.000 0.169 0.000 0.832 367 D CB -0.137 40.740 40.800 0.128 0.000 1.008 367 D HN 0.251 nan 8.370 nan 0.000 0.506 368 R N 0.830 121.336 120.500 0.009 0.000 3.422 368 R HA -0.157 4.183 4.340 -0.000 0.000 0.267 368 R C -0.173 176.111 176.300 -0.027 0.000 1.074 368 R CA 1.052 57.111 56.100 -0.067 0.000 0.718 368 R CB -1.842 28.345 30.300 -0.189 0.000 1.157 368 R HN 0.371 nan 8.270 nan 0.000 0.440 369 D N -1.538 118.869 120.400 0.012 0.000 2.360 369 D HA 0.128 4.768 4.640 -0.000 0.000 0.210 369 D C 1.380 177.636 176.300 -0.073 0.000 1.047 369 D CA 0.844 54.855 54.000 0.020 0.000 0.854 369 D CB 0.413 41.276 40.800 0.104 0.000 0.936 369 D HN 0.402 nan 8.370 nan 0.000 0.514 370 G N -0.812 107.910 108.800 -0.131 0.000 2.352 370 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.204 370 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.204 370 G C -0.291 174.383 174.900 -0.378 0.000 1.004 370 G CA -0.311 44.605 45.100 -0.307 0.000 0.648 370 G HN 0.316 nan 8.290 nan 0.000 0.491 371 Y N 2.288 122.593 120.300 0.008 0.000 2.330 371 Y HA 0.576 5.126 4.550 -0.000 0.000 0.336 371 Y C 0.671 176.586 175.900 0.025 0.000 1.036 371 Y CA -1.131 56.980 58.100 0.018 0.000 1.125 371 Y CB 0.867 39.343 38.460 0.026 0.000 1.194 371 Y HN 0.024 nan 8.280 nan 0.000 0.469 372 N N 3.247 122.050 118.700 0.173 0.000 2.453 372 N HA 0.066 4.806 4.740 -0.000 0.000 0.253 372 N C -0.898 174.694 175.510 0.137 0.000 1.252 372 N CA 0.214 53.337 53.050 0.123 0.000 0.917 372 N CB 0.625 39.174 38.487 0.103 0.000 1.117 372 N HN 0.630 nan 8.380 nan 0.000 0.442 373 D N 0.400 120.868 120.400 0.114 0.000 2.477 373 D HA 0.535 5.175 4.640 -0.000 0.000 0.234 373 D C 0.295 176.663 176.300 0.114 0.000 1.048 373 D CA -0.379 53.692 54.000 0.120 0.000 0.959 373 D CB 2.067 42.933 40.800 0.110 0.000 1.408 373 D HN 0.463 nan 8.370 nan 0.000 0.496 374 I N -2.948 117.706 120.570 0.140 0.000 3.002 374 I HA 0.855 5.025 4.170 -0.000 0.000 0.310 374 I C -1.351 174.862 176.117 0.160 0.000 1.087 374 I CA -1.127 60.252 61.300 0.131 0.000 1.017 374 I CB 2.330 40.399 38.000 0.115 0.000 1.226 374 I HN 0.354 nan 8.210 nan 0.000 0.443 375 A N 3.738 126.624 122.820 0.111 0.000 2.343 375 A HA 0.805 5.125 4.320 -0.000 0.000 0.316 375 A C -0.995 176.625 177.584 0.060 0.000 1.104 375 A CA -0.602 51.489 52.037 0.090 0.000 0.768 375 A CB 1.606 20.620 19.000 0.023 0.000 1.213 375 A HN 0.557 nan 8.150 nan 0.000 0.456 376 V N 1.305 121.270 119.914 0.084 0.000 2.555 376 V HA 0.747 4.867 4.120 -0.000 0.000 0.302 376 V C 0.426 176.443 176.094 -0.128 0.000 1.038 376 V CA -0.376 61.870 62.300 -0.092 0.000 0.887 376 V CB 1.683 33.371 31.823 -0.225 0.000 0.991 376 V HN 1.231 nan 8.190 nan 0.000 0.434 377 A N 3.212 125.912 122.820 -0.200 0.000 2.304 377 A HA 0.873 5.192 4.320 -0.000 0.000 0.323 377 A C 0.069 177.600 177.584 -0.088 0.000 1.195 377 A CA -0.323 51.639 52.037 -0.125 0.000 0.826 377 A CB 1.259 20.173 19.000 -0.143 0.000 1.184 377 A HN 1.378 nan 8.150 nan 0.000 0.496 378 A N 4.266 127.127 122.820 0.068 0.000 2.644 378 A HA 0.660 4.980 4.320 -0.000 0.000 0.343 378 A C -2.123 175.537 177.584 0.127 0.000 1.324 378 A CA -1.438 50.703 52.037 0.173 0.000 0.846 378 A CB 0.347 19.545 19.000 0.330 0.000 1.128 378 A HN 0.474 nan 8.150 nan 0.000 0.484 379 P HA -0.119 nan 4.420 nan 0.000 0.221 379 P C -0.118 176.886 177.300 -0.492 0.000 1.145 379 P CA 1.587 64.563 63.100 -0.206 0.000 0.795 379 P CB -0.048 31.487 31.700 -0.275 0.000 0.775 380 Y N -1.973 118.444 120.300 0.196 0.000 2.715 380 Y HA 0.457 5.007 4.550 -0.000 0.000 0.255 380 Y C 1.478 177.483 175.900 0.175 0.000 1.139 380 Y CA -0.774 57.431 58.100 0.175 0.000 1.151 380 Y CB -0.016 38.541 38.460 0.161 0.000 1.201 380 Y HN -0.181 nan 8.280 nan 0.000 0.556 381 G N -0.167 108.783 108.800 0.251 0.000 2.543 381 G HA2 0.533 4.493 3.960 -0.000 0.000 0.290 381 G HA3 0.533 4.493 3.960 -0.000 0.000 0.290 381 G C 0.288 175.290 174.900 0.170 0.000 1.310 381 G CA 0.014 45.245 45.100 0.218 0.000 1.025 381 G HN 0.587 nan 8.290 nan 0.000 0.502 382 G N -1.207 107.674 108.800 0.136 0.000 2.712 382 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.686 382 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.686 382 G C -1.486 173.464 174.900 0.082 0.000 1.321 382 G CA -0.059 45.099 45.100 0.096 0.000 0.813 382 G HN 0.548 nan 8.290 nan 0.000 0.599 383 P HA -0.140 nan 4.420 nan 0.000 0.216 383 P C 2.120 179.454 177.300 0.056 0.000 1.150 383 P CA 2.625 65.754 63.100 0.048 0.000 0.843 383 P CB -0.030 31.689 31.700 0.032 0.000 0.787 384 S N -2.506 113.228 115.700 0.058 0.000 2.470 384 S HA 0.214 4.683 4.470 -0.000 0.000 0.225 384 S C 1.748 176.403 174.600 0.092 0.000 1.006 384 S CA 0.664 58.901 58.200 0.061 0.000 0.934 384 S CB -1.092 62.133 63.200 0.043 0.000 0.778 384 S HN 0.299 nan 8.310 nan 0.000 0.517 385 G N 1.718 110.589 108.800 0.118 0.000 2.157 385 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.248 385 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.248 385 G C 0.861 175.876 174.900 0.193 0.000 0.979 385 G CA 0.285 45.492 45.100 0.178 0.000 0.650 385 G HN 0.508 nan 8.290 nan 0.000 0.529 386 R N 0.424 121.000 120.500 0.127 0.000 2.235 386 R HA 0.369 4.709 4.340 -0.000 0.000 0.213 386 R C 1.440 177.805 176.300 0.109 0.000 1.059 386 R CA 1.008 57.169 56.100 0.101 0.000 0.997 386 R CB 0.013 30.335 30.300 0.037 0.000 0.884 386 R HN 1.534 nan 8.270 nan 0.000 0.462 387 G N 0.455 109.340 108.800 0.142 0.000 2.484 387 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.685 387 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.685 387 G C -1.442 173.658 174.900 0.332 0.000 1.294 387 G CA -0.877 44.364 45.100 0.234 0.000 0.879 387 G HN 0.126 nan 8.290 nan 0.000 0.646 388 Q N -1.168 118.872 119.800 0.401 0.000 2.426 388 Q HA 0.631 4.971 4.340 -0.000 0.000 0.278 388 Q C -1.340 174.830 176.000 0.283 0.000 1.007 388 Q CA -0.896 55.121 55.803 0.358 0.000 0.850 388 Q CB 2.925 31.796 28.738 0.221 0.000 1.427 388 Q HN 0.921 nan 8.270 nan 0.000 0.391 389 V N 3.446 123.506 119.914 0.244 0.000 2.588 389 V HA 0.538 4.658 4.120 -0.000 0.000 0.304 389 V C -1.204 174.907 176.094 0.028 0.000 1.042 389 V CA -0.696 61.640 62.300 0.061 0.000 0.877 389 V CB 1.624 33.401 31.823 -0.077 0.000 0.996 389 V HN 0.581 nan 8.190 nan 0.000 0.425 390 L N 5.310 126.550 121.223 0.028 0.000 2.333 390 L HA 0.618 4.957 4.340 -0.000 0.000 0.280 390 L C -0.199 176.551 176.870 -0.200 0.000 1.004 390 L CA -0.368 54.418 54.840 -0.089 0.000 0.820 390 L CB 1.893 43.955 42.059 0.006 0.000 1.247 390 L HN 0.364 nan 8.230 nan 0.000 0.416 391 V N 3.657 123.387 119.914 -0.307 0.000 2.407 391 V HA 0.412 4.532 4.120 -0.000 0.000 0.278 391 V C -0.511 175.342 176.094 -0.402 0.000 1.037 391 V CA -0.248 61.927 62.300 -0.208 0.000 0.900 391 V CB 0.830 32.586 31.823 -0.112 0.000 0.983 391 V HN 0.401 nan 8.190 nan 0.000 0.459 392 F N 5.002 124.975 119.950 0.039 0.000 2.449 392 F HA 0.567 5.094 4.527 -0.000 0.000 0.342 392 F C 0.139 175.960 175.800 0.035 0.000 1.127 392 F CA -0.612 57.412 58.000 0.039 0.000 0.975 392 F CB 1.325 40.353 39.000 0.046 0.000 1.146 392 F HN 0.203 nan 8.300 nan 0.000 0.444 393 L N 2.966 124.289 121.223 0.166 0.000 2.350 393 L HA 0.560 4.900 4.340 -0.000 0.000 0.275 393 L C 0.886 177.818 176.870 0.102 0.000 1.099 393 L CA -0.722 54.190 54.840 0.120 0.000 0.808 393 L CB 0.839 42.949 42.059 0.085 0.000 1.149 393 L HN 0.751 nan 8.230 nan 0.000 0.442 394 G N 1.656 110.516 108.800 0.101 0.000 2.539 394 G HA2 0.497 4.457 3.960 -0.000 0.000 0.258 394 G HA3 0.497 4.457 3.960 -0.000 0.000 0.258 394 G C -0.685 174.118 174.900 -0.162 0.000 1.202 394 G CA -0.222 44.900 45.100 0.037 0.000 0.851 394 G HN 0.751 nan 8.290 nan 0.000 0.556 395 Q N -1.521 117.999 119.800 -0.467 0.000 2.707 395 Q HA 0.475 4.815 4.340 -0.000 0.000 0.307 395 Q C 0.988 176.366 176.000 -1.037 0.000 0.934 395 Q CA -0.209 55.002 55.803 -0.987 0.000 0.753 395 Q CB 0.829 29.316 28.738 -0.419 0.000 1.478 395 Q HN 0.550 nan 8.270 nan 0.000 0.458 396 S N -0.513 114.675 115.700 -0.853 0.000 2.419 396 S HA -0.188 4.282 4.470 -0.000 0.000 0.235 396 S C 0.822 175.336 174.600 -0.144 0.000 1.019 396 S CA 1.661 59.695 58.200 -0.277 0.000 0.982 396 S CB -0.464 62.704 63.200 -0.054 0.000 0.789 396 S HN 0.634 nan 8.310 nan 0.000 0.490 397 E N 1.077 121.180 120.200 -0.162 0.000 2.479 397 E HA 0.420 4.770 4.350 -0.000 0.000 0.193 397 E C 1.246 177.799 176.600 -0.078 0.000 1.049 397 E CA 0.119 56.465 56.400 -0.089 0.000 0.870 397 E CB 0.256 29.911 29.700 -0.075 0.000 0.944 397 E HN 0.663 nan 8.360 nan 0.000 0.492 398 G N 1.100 109.841 108.800 -0.099 0.000 2.433 398 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.211 398 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.211 398 G C -0.726 174.136 174.900 -0.064 0.000 1.214 398 G CA -0.717 44.347 45.100 -0.060 0.000 1.271 398 G HN 0.071 nan 8.290 nan 0.000 0.503 399 L N 1.099 122.292 121.223 -0.049 0.000 2.301 399 L HA 0.686 5.026 4.340 -0.000 0.000 0.264 399 L C 0.490 177.358 176.870 -0.003 0.000 1.016 399 L CA -1.279 53.551 54.840 -0.016 0.000 0.821 399 L CB 1.832 43.875 42.059 -0.027 0.000 1.346 399 L HN 0.435 nan 8.230 nan 0.000 0.429 400 R N 0.270 120.813 120.500 0.071 0.000 2.490 400 R HA 0.132 4.472 4.340 -0.000 0.000 0.278 400 R C 0.776 177.165 176.300 0.148 0.000 1.069 400 R CA -0.166 55.991 56.100 0.095 0.000 1.080 400 R CB 1.219 31.591 30.300 0.120 0.000 1.030 400 R HN 0.644 nan 8.270 nan 0.000 0.491 401 S N 1.694 117.448 115.700 0.090 0.000 2.406 401 S HA -0.023 4.447 4.470 -0.000 0.000 0.228 401 S C 0.468 175.203 174.600 0.225 0.000 1.020 401 S CA 0.763 59.019 58.200 0.092 0.000 0.965 401 S CB 0.262 63.474 63.200 0.020 0.000 0.798 401 S HN 0.296 nan 8.310 nan 0.000 0.488 402 R N 2.560 123.162 120.500 0.171 0.000 2.265 402 R HA 0.419 4.759 4.340 -0.000 0.000 0.314 402 R C -2.688 173.665 176.300 0.089 0.000 1.053 402 R CA -2.902 53.272 56.100 0.122 0.000 0.931 402 R CB -0.240 30.088 30.300 0.047 0.000 1.024 402 R HN 0.327 nan 8.270 nan 0.000 0.457 403 P HA 0.044 nan 4.420 nan 0.000 0.271 403 P C 0.361 177.524 177.300 -0.229 0.000 1.218 403 P CA -0.160 62.654 63.100 -0.476 0.000 0.780 403 P CB 0.768 32.079 31.700 -0.650 0.000 0.901 404 S N 1.173 116.745 115.700 -0.214 0.000 2.428 404 S HA -0.072 4.398 4.470 -0.000 0.000 0.230 404 S C 0.695 175.235 174.600 -0.101 0.000 1.014 404 S CA 0.446 58.585 58.200 -0.102 0.000 0.957 404 S CB -0.232 62.934 63.200 -0.057 0.000 0.784 404 S HN 0.698 nan 8.310 nan 0.000 0.499 405 Q N -0.373 119.338 119.800 -0.150 0.000 2.438 405 Q HA 0.524 4.863 4.340 -0.000 0.000 0.272 405 Q C -2.419 173.503 176.000 -0.130 0.000 0.994 405 Q CA -0.554 55.183 55.803 -0.109 0.000 0.887 405 Q CB 2.175 30.866 28.738 -0.080 0.000 1.432 405 Q HN 0.154 nan 8.270 nan 0.000 0.392 406 V N 4.306 124.171 119.914 -0.082 0.000 2.495 406 V HA 0.499 4.619 4.120 -0.000 0.000 0.298 406 V C -0.544 175.533 176.094 -0.028 0.000 1.031 406 V CA -0.624 61.645 62.300 -0.052 0.000 0.871 406 V CB 1.685 33.494 31.823 -0.023 0.000 0.988 406 V HN 0.692 nan 8.190 nan 0.000 0.432 407 L N 4.515 125.733 121.223 -0.009 0.000 2.276 407 L HA 0.508 4.848 4.340 -0.000 0.000 0.286 407 L C -0.415 176.518 176.870 0.106 0.000 1.024 407 L CA -0.496 54.349 54.840 0.008 0.000 0.826 407 L CB 1.245 43.233 42.059 -0.118 0.000 1.211 407 L HN 0.553 nan 8.230 nan 0.000 0.422 408 D N 1.626 122.037 120.400 0.019 0.000 2.302 408 D HA 0.054 4.694 4.640 -0.000 0.000 0.248 408 D C 0.189 176.285 176.300 -0.340 0.000 1.094 408 D CA 0.011 53.972 54.000 -0.065 0.000 0.897 408 D CB 1.933 42.702 40.800 -0.051 0.000 1.200 408 D HN 0.310 nan 8.370 nan 0.000 0.429 409 S N 1.969 117.302 115.700 -0.611 0.000 2.525 409 S HA 0.064 4.534 4.470 -0.000 0.000 0.285 409 S C -1.377 172.865 174.600 -0.597 0.000 1.283 409 S CA -1.013 56.505 58.200 -1.136 0.000 1.072 409 S CB 0.597 63.406 63.200 -0.652 0.000 0.867 409 S HN 0.281 nan 8.310 nan 0.000 0.492 410 P HA 0.160 nan 4.420 nan 0.000 0.245 410 P C -0.293 176.647 177.300 -0.600 0.000 1.206 410 P CA 0.228 62.995 63.100 -0.554 0.000 0.781 410 P CB 0.033 31.430 31.700 -0.506 0.000 0.994 411 F N 1.385 121.234 119.950 -0.168 0.000 2.380 411 F HA 0.485 5.012 4.527 -0.000 0.000 0.319 411 F C -1.696 174.050 175.800 -0.090 0.000 1.113 411 F CA -2.835 55.091 58.000 -0.123 0.000 1.056 411 F CB -0.957 38.005 39.000 -0.064 0.000 1.289 411 F HN -0.261 nan 8.300 nan 0.000 0.515 412 P HA 0.155 nan 4.420 nan 0.000 0.275 412 P C -0.588 176.758 177.300 0.077 0.000 1.266 412 P CA -0.528 62.612 63.100 0.067 0.000 0.793 412 P CB 0.241 31.968 31.700 0.044 0.000 1.074 413 T N 0.510 115.102 114.554 0.064 0.000 2.933 413 T HA 0.299 4.649 4.350 -0.000 0.000 0.306 413 T C 1.279 176.028 174.700 0.083 0.000 1.045 413 T CA 1.876 64.027 62.100 0.084 0.000 1.143 413 T CB -0.800 68.113 68.868 0.075 0.000 1.003 413 T HN 0.839 nan 8.240 nan 0.000 0.540 414 G N 2.076 110.952 108.800 0.125 0.000 2.157 414 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.239 414 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.239 414 G C 1.170 176.067 174.900 -0.004 0.000 0.982 414 G CA 0.801 45.970 45.100 0.116 0.000 0.650 414 G HN 1.012 nan 8.290 nan 0.000 0.527 415 S N -0.264 115.423 115.700 -0.022 0.000 2.453 415 S HA 0.405 4.875 4.470 -0.000 0.000 0.231 415 S C 2.052 176.481 174.600 -0.286 0.000 1.005 415 S CA 1.671 59.798 58.200 -0.122 0.000 0.949 415 S CB -0.156 63.059 63.200 0.026 0.000 0.774 415 S HN 2.378 nan 8.310 nan 0.000 0.510 416 A N 0.048 122.696 122.820 -0.287 0.000 2.872 416 A HA -0.203 4.117 4.320 -0.000 0.000 0.273 416 A C 0.175 177.689 177.584 -0.117 0.000 1.442 416 A CA 0.639 52.428 52.037 -0.413 0.000 0.801 416 A CB -3.010 15.571 19.000 -0.699 0.000 1.031 416 A HN 1.126 nan 8.150 nan 0.000 0.582 417 F N 0.424 120.307 119.950 -0.111 0.000 2.569 417 F HA 0.354 4.881 4.527 -0.000 0.000 0.395 417 F C 1.422 177.260 175.800 0.063 0.000 1.028 417 F CA 1.616 59.661 58.000 0.075 0.000 1.158 417 F CB -0.096 39.030 39.000 0.209 0.000 1.023 417 F HN 1.546 nan 8.300 nan 0.000 0.547 418 G N 5.128 113.653 108.800 -0.459 0.000 2.213 418 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.226 418 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.226 418 G C 0.804 175.629 174.900 -0.124 0.000 0.992 418 G CA 0.159 45.026 45.100 -0.388 0.000 0.632 418 G HN 0.771 nan 8.290 nan 0.000 0.511 419 F N 2.956 122.822 119.950 -0.141 0.000 2.192 419 F HA 0.156 4.683 4.527 -0.000 0.000 0.301 419 F C 1.585 177.325 175.800 -0.100 0.000 1.079 419 F CA 2.192 60.158 58.000 -0.057 0.000 1.303 419 F CB 0.096 39.141 39.000 0.076 0.000 1.024 419 F HN 0.511 nan 8.300 nan 0.000 0.494 420 S N -0.003 115.693 115.700 -0.008 0.000 2.542 420 S HA 0.746 5.216 4.470 -0.000 0.000 0.293 420 S C -1.062 173.476 174.600 -0.105 0.000 1.089 420 S CA -0.829 57.303 58.200 -0.113 0.000 0.961 420 S CB 2.487 65.655 63.200 -0.054 0.000 1.062 420 S HN 0.130 nan 8.310 nan 0.000 0.483 421 L N 0.958 122.114 121.223 -0.111 0.000 2.506 421 L HA 0.759 5.099 4.340 -0.000 0.000 0.257 421 L C -0.850 175.983 176.870 -0.060 0.000 0.964 421 L CA -0.754 54.037 54.840 -0.081 0.000 0.836 421 L CB 2.618 44.628 42.059 -0.081 0.000 1.384 421 L HN 0.783 nan 8.230 nan 0.000 0.410 422 R N 0.307 120.790 120.500 -0.028 0.000 2.604 422 R HA 0.793 5.133 4.340 -0.000 0.000 0.270 422 R C -0.962 175.496 176.300 0.264 0.000 1.052 422 R CA -0.125 55.998 56.100 0.039 0.000 0.902 422 R CB 2.222 32.433 30.300 -0.148 0.000 1.233 422 R HN 0.776 nan 8.270 nan 0.000 0.455 423 G N 0.394 109.396 108.800 0.338 0.000 3.021 423 G HA2 0.569 4.529 3.960 -0.000 0.000 0.290 423 G HA3 0.569 4.529 3.960 -0.000 0.000 0.290 423 G C -0.584 174.428 174.900 0.186 0.000 1.291 423 G CA -0.124 45.169 45.100 0.322 0.000 0.834 423 G HN 1.321 nan 8.290 nan 0.000 0.564 424 A N -2.379 120.463 122.820 0.038 0.000 2.945 424 A HA 0.043 4.363 4.320 -0.000 0.000 0.251 424 A C 0.050 177.543 177.584 -0.151 0.000 1.355 424 A CA 1.038 53.060 52.037 -0.026 0.000 0.905 424 A CB -2.015 17.003 19.000 0.030 0.000 1.104 424 A HN 1.771 nan 8.150 nan 0.000 0.733 425 V N 0.208 119.901 119.914 -0.368 0.000 2.733 425 V HA 0.507 4.627 4.120 -0.000 0.000 0.306 425 V C -0.588 175.158 176.094 -0.579 0.000 1.084 425 V CA -0.229 61.724 62.300 -0.578 0.000 0.905 425 V CB 2.024 33.217 31.823 -1.051 0.000 1.010 425 V HN 0.492 nan 8.190 nan 0.000 0.424 426 D N 3.491 123.670 120.400 -0.368 0.000 2.441 426 D HA 0.255 4.895 4.640 -0.000 0.000 0.221 426 D C 0.731 176.834 176.300 -0.329 0.000 1.156 426 D CA -0.002 53.831 54.000 -0.279 0.000 0.896 426 D CB 1.088 41.791 40.800 -0.162 0.000 1.028 426 D HN 0.549 nan 8.370 nan 0.000 0.509 427 I N 2.467 122.778 120.570 -0.431 0.000 2.617 427 I HA -0.114 4.055 4.170 -0.000 0.000 0.256 427 I C 0.927 176.657 176.117 -0.644 0.000 1.167 427 I CA 0.840 61.838 61.300 -0.503 0.000 1.469 427 I CB 0.386 38.057 38.000 -0.547 0.000 1.098 427 I HN 0.336 nan 8.210 nan 0.000 0.436 428 D N -1.416 118.650 120.400 -0.556 0.000 2.398 428 D HA -0.033 4.607 4.640 -0.000 0.000 0.210 428 D C 0.598 176.853 176.300 -0.076 0.000 1.094 428 D CA 0.097 53.910 54.000 -0.311 0.000 0.839 428 D CB -0.155 40.543 40.800 -0.171 0.000 0.963 428 D HN 0.237 nan 8.370 nan 0.000 0.506 429 D N 0.811 121.152 120.400 -0.098 0.000 2.981 429 D HA -0.211 4.429 4.640 -0.000 0.000 0.223 429 D C 0.531 176.835 176.300 0.006 0.000 1.151 429 D CA 1.083 55.060 54.000 -0.037 0.000 0.827 429 D CB -1.459 39.337 40.800 -0.007 0.000 1.101 429 D HN 0.433 nan 8.370 nan 0.000 0.426 430 N N 0.078 118.792 118.700 0.024 0.000 2.398 430 N HA 0.111 4.851 4.740 -0.000 0.000 0.188 430 N C 1.649 177.264 175.510 0.174 0.000 1.122 430 N CA 1.385 54.486 53.050 0.085 0.000 0.866 430 N CB 0.186 38.716 38.487 0.071 0.000 0.970 430 N HN 0.569 nan 8.380 nan 0.000 0.462 431 G N -0.983 107.876 108.800 0.098 0.000 2.176 431 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.232 431 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.232 431 G C -0.638 174.209 174.900 -0.088 0.000 0.986 431 G CA 0.193 45.301 45.100 0.013 0.000 0.643 431 G HN 0.382 nan 8.290 nan 0.000 0.522 432 Y N 1.236 121.502 120.300 -0.057 0.000 2.446 432 Y HA 0.614 5.164 4.550 -0.000 0.000 0.345 432 Y C -2.118 173.733 175.900 -0.080 0.000 0.984 432 Y CA -2.581 55.488 58.100 -0.052 0.000 1.058 432 Y CB 2.323 40.764 38.460 -0.031 0.000 1.220 432 Y HN -0.032 nan 8.280 nan 0.000 0.455 433 P HA 0.191 nan 4.420 nan 0.000 0.284 433 P C -1.009 176.288 177.300 -0.004 0.000 1.253 433 P CA -0.233 62.845 63.100 -0.038 0.000 0.800 433 P CB 1.708 33.381 31.700 -0.045 0.000 0.961 434 D N 1.363 121.723 120.400 -0.066 0.000 2.449 434 D HA 0.505 5.145 4.640 -0.000 0.000 0.250 434 D C -0.594 175.793 176.300 0.146 0.000 1.050 434 D CA -0.251 53.762 54.000 0.022 0.000 1.024 434 D CB 1.315 42.088 40.800 -0.045 0.000 1.218 434 D HN 0.177 nan 8.370 nan 0.000 0.566 435 L N 0.949 122.319 121.223 0.244 0.000 2.381 435 L HA 0.472 4.812 4.340 -0.000 0.000 0.274 435 L C -1.007 176.078 176.870 0.359 0.000 0.988 435 L CA -0.682 54.337 54.840 0.299 0.000 0.824 435 L CB 1.329 43.503 42.059 0.192 0.000 1.263 435 L HN 0.380 nan 8.230 nan 0.000 0.410 436 I N 3.345 124.086 120.570 0.284 0.000 2.377 436 I HA 0.773 4.943 4.170 -0.000 0.000 0.293 436 I C -1.159 175.029 176.117 0.120 0.000 0.987 436 I CA -0.847 60.557 61.300 0.174 0.000 1.185 436 I CB 1.833 39.796 38.000 -0.061 0.000 1.341 436 I HN 0.306 nan 8.210 nan 0.000 0.455 437 V N 4.972 125.007 119.914 0.201 0.000 2.540 437 V HA 0.674 4.794 4.120 -0.000 0.000 0.302 437 V C 0.683 176.860 176.094 0.139 0.000 1.035 437 V CA -0.434 61.921 62.300 0.093 0.000 0.873 437 V CB 1.564 33.402 31.823 0.025 0.000 0.992 437 V HN 0.978 nan 8.190 nan 0.000 0.428 438 G N 2.594 111.423 108.800 0.048 0.000 2.377 438 G HA2 0.621 4.580 3.960 -0.000 0.000 0.299 438 G HA3 0.621 4.580 3.960 -0.000 0.000 0.299 438 G C -0.241 174.718 174.900 0.097 0.000 1.150 438 G CA -0.152 45.003 45.100 0.090 0.000 0.847 438 G HN 1.183 nan 8.290 nan 0.000 0.501 439 A N 2.237 125.093 122.820 0.059 0.000 3.030 439 A HA 0.466 4.786 4.320 -0.000 0.000 0.335 439 A C 0.472 177.982 177.584 -0.123 0.000 1.089 439 A CA -0.659 51.337 52.037 -0.069 0.000 0.807 439 A CB -0.075 18.771 19.000 -0.256 0.000 1.099 439 A HN 1.043 nan 8.150 nan 0.000 0.474 440 Y N -0.015 120.278 120.300 -0.012 0.000 2.256 440 Y HA -0.015 4.535 4.550 -0.000 0.000 0.288 440 Y C 1.715 177.621 175.900 0.010 0.000 1.155 440 Y CA 1.648 59.769 58.100 0.036 0.000 1.203 440 Y CB -0.746 37.777 38.460 0.105 0.000 0.980 440 Y HN 0.370 nan 8.280 nan 0.000 0.530 441 G N 0.435 108.895 108.800 -0.567 0.000 2.450 441 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.220 441 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.220 441 G C 1.584 176.392 174.900 -0.154 0.000 1.130 441 G CA 0.844 45.745 45.100 -0.332 0.000 0.760 441 G HN 0.693 nan 8.290 nan 0.000 0.557 442 A N 0.062 122.755 122.820 -0.211 0.000 2.308 442 A HA 0.275 4.595 4.320 -0.000 0.000 0.217 442 A C 1.114 178.601 177.584 -0.162 0.000 1.216 442 A CA 0.458 52.364 52.037 -0.218 0.000 0.864 442 A CB -0.091 18.648 19.000 -0.436 0.000 0.902 442 A HN 0.287 nan 8.150 nan 0.000 0.499 443 N N -0.062 118.609 118.700 -0.048 0.000 2.735 443 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 443 N C -0.456 175.131 175.510 0.129 0.000 1.083 443 N CA 1.409 54.511 53.050 0.086 0.000 0.703 443 N CB -1.441 37.058 38.487 0.020 0.000 1.005 443 N HN 0.809 nan 8.380 nan 0.000 0.550 444 Q N -0.931 118.927 119.800 0.097 0.000 2.501 444 Q HA 0.714 5.054 4.340 -0.000 0.000 0.288 444 Q C -0.877 175.286 176.000 0.272 0.000 1.051 444 Q CA -0.835 55.083 55.803 0.191 0.000 0.788 444 Q CB 2.700 31.382 28.738 -0.093 0.000 1.469 444 Q HN 0.014 nan 8.270 nan 0.000 0.416 445 V N 0.564 120.773 119.914 0.491 0.000 2.680 445 V HA 0.813 4.933 4.120 -0.000 0.000 0.309 445 V C -0.991 175.467 176.094 0.607 0.000 1.052 445 V CA -0.679 61.888 62.300 0.445 0.000 0.908 445 V CB 1.739 33.760 31.823 0.330 0.000 1.001 445 V HN 0.836 nan 8.190 nan 0.000 0.431 446 A N 3.958 127.127 122.820 0.582 0.000 2.318 446 A HA 0.841 5.161 4.320 -0.000 0.000 0.324 446 A C -0.866 176.859 177.584 0.235 0.000 1.170 446 A CA -0.525 51.777 52.037 0.441 0.000 0.810 446 A CB 1.447 20.788 19.000 0.568 0.000 1.198 446 A HN 0.668 nan 8.150 nan 0.000 0.484 447 V N 3.107 123.063 119.914 0.070 0.000 2.370 447 V HA 0.333 4.453 4.120 -0.000 0.000 0.283 447 V C -1.134 174.911 176.094 -0.083 0.000 1.023 447 V CA -0.300 62.087 62.300 0.146 0.000 0.857 447 V CB 0.554 32.582 31.823 0.341 0.000 0.985 447 V HN 0.752 nan 8.190 nan 0.000 0.443 448 Y N 3.862 124.244 120.300 0.136 0.000 2.331 448 Y HA 0.607 5.157 4.550 -0.000 0.000 0.338 448 Y C 0.639 176.573 175.900 0.058 0.000 0.992 448 Y CA -0.611 57.541 58.100 0.088 0.000 1.121 448 Y CB 1.376 39.893 38.460 0.095 0.000 1.184 448 Y HN 0.471 nan 8.280 nan 0.000 0.469 449 R N 1.786 122.376 120.500 0.149 0.000 2.407 449 R HA 0.755 5.095 4.340 -0.000 0.000 0.303 449 R C -0.515 175.816 176.300 0.053 0.000 0.981 449 R CA -0.837 55.302 56.100 0.064 0.000 0.905 449 R CB 1.323 31.644 30.300 0.035 0.000 1.099 449 R HN 0.780 nan 8.270 nan 0.000 0.459 450 A N 2.656 125.491 122.820 0.024 0.000 2.316 450 A HA 0.343 4.663 4.320 -0.000 0.000 0.284 450 A C -0.625 176.858 177.584 -0.169 0.000 1.115 450 A CA -0.476 51.554 52.037 -0.011 0.000 0.812 450 A CB 0.815 19.867 19.000 0.086 0.000 1.064 450 A HN 0.496 nan 8.150 nan 0.000 0.489 451 Q N 0.725 120.342 119.800 -0.306 0.000 2.397 451 Q HA 0.479 4.819 4.340 -0.000 0.000 0.275 451 Q C -2.654 172.936 176.000 -0.683 0.000 1.090 451 Q CA -1.835 53.706 55.803 -0.438 0.000 0.809 451 Q CB 1.190 29.808 28.738 -0.200 0.000 1.362 451 Q HN 0.485 nan 8.270 nan 0.000 0.431 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 62.849 63.100 -0.419 0.000 0.800 452 P CB 0.000 31.599 31.700 -0.169 0.000 0.726