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 2vdm_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 0.000 176.871 176.870 0.002 0.000 1.165 1 L CA 0.000 54.840 54.840 0.001 0.000 0.813 1 L CB 0.000 42.069 42.059 0.016 0.000 0.961 2 N N 0.142 118.845 118.700 0.006 0.000 2.390 2 N HA 0.199 4.939 4.740 -0.000 0.000 0.259 2 N C -0.702 174.803 175.510 -0.009 0.000 1.395 2 N CA -0.291 52.750 53.050 -0.015 0.000 0.852 2 N CB 0.216 38.676 38.487 -0.044 0.000 1.371 2 N HN 0.245 nan 8.380 nan 0.000 0.491 3 L N 1.252 122.491 121.223 0.027 0.000 2.313 3 L HA 0.198 4.538 4.340 -0.000 0.000 0.282 3 L C 0.419 177.353 176.870 0.107 0.000 1.092 3 L CA -0.315 54.572 54.840 0.078 0.000 0.831 3 L CB 0.774 42.884 42.059 0.086 0.000 1.159 3 L HN 0.076 nan 8.230 nan 0.000 0.442 4 D N 6.667 127.132 120.400 0.107 0.000 2.358 4 D HA 0.061 4.701 4.640 -0.000 0.000 0.258 4 D C -1.633 174.768 176.300 0.168 0.000 1.223 4 D CA -1.258 52.797 54.000 0.090 0.000 0.886 4 D CB 1.658 42.481 40.800 0.039 0.000 1.120 4 D HN 0.305 nan 8.370 nan 0.000 0.482 5 P HA -0.016 nan 4.420 nan 0.000 0.239 5 P C 1.431 178.776 177.300 0.075 0.000 1.188 5 P CA 0.013 63.245 63.100 0.221 0.000 0.794 5 P CB 0.685 32.493 31.700 0.180 0.000 0.937 6 V N 0.105 120.034 119.914 0.025 0.000 2.346 6 V HA -0.077 4.043 4.120 -0.000 0.000 0.244 6 V C 1.247 177.301 176.094 -0.068 0.000 1.037 6 V CA 1.373 63.662 62.300 -0.018 0.000 1.029 6 V CB -1.013 30.802 31.823 -0.012 0.000 0.663 6 V HN 0.114 nan 8.190 nan 0.000 0.454 7 Q N 1.533 121.294 119.800 -0.064 0.000 2.402 7 Q HA 0.425 4.765 4.340 -0.000 0.000 0.238 7 Q C -0.652 175.244 176.000 -0.174 0.000 1.126 7 Q CA 0.391 56.135 55.803 -0.099 0.000 0.904 7 Q CB 0.678 29.390 28.738 -0.044 0.000 1.357 7 Q HN 0.464 nan 8.270 nan 0.000 0.491 8 L N 0.870 121.898 121.223 -0.326 0.000 2.313 8 L HA 0.629 4.969 4.340 -0.000 0.000 0.268 8 L C 0.179 176.701 176.870 -0.580 0.000 1.010 8 L CA -0.793 53.722 54.840 -0.541 0.000 0.814 8 L CB 1.958 43.525 42.059 -0.819 0.000 1.304 8 L HN 0.272 nan 8.230 nan 0.000 0.441 9 T N 0.943 115.181 114.554 -0.527 0.000 2.841 9 T HA 0.530 4.880 4.350 -0.000 0.000 0.285 9 T C -0.756 173.693 174.700 -0.419 0.000 0.991 9 T CA -0.267 61.555 62.100 -0.463 0.000 0.966 9 T CB 0.741 69.495 68.868 -0.191 0.000 0.962 9 T HN 0.156 nan 8.240 nan 0.000 0.438 10 F N 2.700 122.574 119.950 -0.128 0.000 2.388 10 F HA 0.466 4.993 4.527 -0.000 0.000 0.358 10 F C -0.261 175.466 175.800 -0.120 0.000 1.122 10 F CA -1.155 56.850 58.000 0.009 0.000 1.056 10 F CB 0.839 39.888 39.000 0.081 0.000 1.155 10 F HN 0.495 nan 8.300 nan 0.000 0.461 11 Y N 2.309 122.817 120.300 0.346 0.000 2.320 11 Y HA 0.615 5.165 4.550 -0.000 0.000 0.334 11 Y C 0.262 176.244 175.900 0.136 0.000 1.055 11 Y CA -0.809 57.434 58.100 0.238 0.000 1.143 11 Y CB 1.447 40.110 38.460 0.339 0.000 1.193 11 Y HN 0.611 nan 8.280 nan 0.000 0.477 12 A N 1.952 124.722 122.820 -0.082 0.000 2.374 12 A HA 0.866 5.186 4.320 -0.000 0.000 0.317 12 A C -0.013 176.868 177.584 -1.172 0.000 1.094 12 A CA -0.149 51.616 52.037 -0.453 0.000 0.765 12 A CB 0.996 19.863 19.000 -0.222 0.000 1.268 12 A HN 0.847 nan 8.150 nan 0.000 0.438 13 G N 0.271 108.217 108.800 -1.424 0.000 2.887 13 G HA2 0.745 4.705 3.960 -0.000 0.000 0.277 13 G HA3 0.745 4.705 3.960 -0.000 0.000 0.277 13 G C -2.984 171.627 174.900 -0.482 0.000 1.346 13 G CA -1.682 42.661 45.100 -1.261 0.000 1.058 13 G HN 0.545 nan 8.290 nan 0.000 0.535 14 P HA 0.206 nan 4.420 nan 0.000 0.274 14 P C -0.480 176.797 177.300 -0.038 0.000 1.246 14 P CA -0.809 62.233 63.100 -0.097 0.000 0.795 14 P CB 0.535 32.234 31.700 -0.000 0.000 1.006 15 N N 0.606 119.291 118.700 -0.024 0.000 2.412 15 N HA 0.213 4.953 4.740 -0.000 0.000 0.254 15 N C 1.460 176.986 175.510 0.026 0.000 1.232 15 N CA 1.583 54.631 53.050 -0.004 0.000 0.880 15 N CB -0.507 37.976 38.487 -0.007 0.000 1.076 15 N HN 0.760 nan 8.380 nan 0.000 0.458 16 G N 0.369 109.192 108.800 0.038 0.000 2.168 16 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.257 16 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.257 16 G C 0.820 175.765 174.900 0.075 0.000 0.997 16 G CA 0.974 46.105 45.100 0.052 0.000 0.708 16 G HN 0.711 nan 8.290 nan 0.000 0.520 17 S N -1.240 114.525 115.700 0.107 0.000 2.517 17 S HA 0.228 4.698 4.470 -0.000 0.000 0.214 17 S C 1.206 175.913 174.600 0.179 0.000 0.991 17 S CA 1.081 59.370 58.200 0.149 0.000 0.906 17 S CB -0.079 63.243 63.200 0.204 0.000 0.789 17 S HN 1.043 nan 8.310 nan 0.000 0.513 18 Q N -0.064 119.861 119.800 0.209 0.000 2.481 18 Q HA -0.197 4.143 4.340 -0.000 0.000 0.272 18 Q C -0.553 175.640 176.000 0.322 0.000 1.157 18 Q CA 0.513 56.490 55.803 0.290 0.000 0.935 18 Q CB -2.473 26.366 28.738 0.169 0.000 1.338 18 Q HN 0.738 nan 8.270 nan 0.000 0.494 19 F N 0.974 121.011 119.950 0.146 0.000 2.569 19 F HA 0.234 4.761 4.527 -0.000 0.000 0.395 19 F C 1.405 177.287 175.800 0.137 0.000 1.028 19 F CA 2.021 60.094 58.000 0.122 0.000 1.158 19 F CB 0.255 39.247 39.000 -0.013 0.000 1.023 19 F HN 0.310 nan 8.300 nan 0.000 0.547 20 G N 4.908 113.613 108.800 -0.159 0.000 2.168 20 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.197 20 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.197 20 G C 0.623 175.615 174.900 0.154 0.000 0.997 20 G CA 0.069 45.142 45.100 -0.044 0.000 0.658 20 G HN 0.729 nan 8.290 nan 0.000 0.513 21 F N 2.512 122.495 119.950 0.056 0.000 2.171 21 F HA 0.246 4.772 4.527 -0.000 0.000 0.300 21 F C 1.515 177.368 175.800 0.089 0.000 1.090 21 F CA 2.183 60.213 58.000 0.049 0.000 1.293 21 F CB 0.208 39.127 39.000 -0.136 0.000 1.013 21 F HN 0.544 nan 8.300 nan 0.000 0.486 22 S N -0.141 115.658 115.700 0.164 0.000 2.588 22 S HA 0.744 5.214 4.470 -0.000 0.000 0.275 22 S C -1.215 173.360 174.600 -0.043 0.000 1.130 22 S CA -0.541 57.680 58.200 0.035 0.000 0.855 22 S CB 2.470 65.713 63.200 0.073 0.000 1.116 22 S HN 0.268 nan 8.310 nan 0.000 0.472 23 L N -1.583 119.593 121.223 -0.079 0.000 2.838 23 L HA 1.012 5.352 4.340 -0.000 0.000 0.266 23 L C -1.522 175.269 176.870 -0.131 0.000 1.040 23 L CA -0.572 54.194 54.840 -0.124 0.000 0.906 23 L CB 0.651 42.610 42.059 -0.167 0.000 1.501 23 L HN 0.859 nan 8.230 nan 0.000 0.407 24 D N -0.932 119.368 120.400 -0.165 0.000 2.683 24 D HA 0.546 5.186 4.640 -0.000 0.000 0.246 24 D C -1.719 174.475 176.300 -0.176 0.000 1.238 24 D CA -0.281 53.629 54.000 -0.149 0.000 0.759 24 D CB 1.306 42.108 40.800 0.003 0.000 1.349 24 D HN 0.388 nan 8.370 nan 0.000 0.426 25 F N 1.607 121.597 119.950 0.068 0.000 2.443 25 F HA 0.371 4.898 4.527 -0.000 0.000 0.353 25 F C 0.643 176.514 175.800 0.118 0.000 1.101 25 F CA -0.046 57.998 58.000 0.074 0.000 1.226 25 F CB 0.757 39.778 39.000 0.035 0.000 1.140 25 F HN 0.257 nan 8.300 nan 0.000 0.557 26 H N 2.622 121.816 119.070 0.207 0.000 2.538 26 H HA 0.458 5.013 4.556 -0.000 0.000 0.353 26 H C -1.268 174.125 175.328 0.108 0.000 1.109 26 H CA -1.018 55.108 56.048 0.131 0.000 1.192 26 H CB 1.429 31.253 29.762 0.102 0.000 1.555 26 H HN 0.589 nan 8.280 nan 0.000 0.518 27 K N 3.940 123.940 120.400 -0.666 0.000 2.413 27 K HA 0.204 4.524 4.320 -0.000 0.000 0.257 27 K C -0.950 175.310 176.600 -0.565 0.000 0.946 27 K CA -0.968 55.056 56.287 -0.437 0.000 0.823 27 K CB 0.785 33.144 32.500 -0.235 0.000 1.109 27 K HN 0.849 nan 8.250 nan 0.000 0.427 28 D N 1.962 122.199 120.400 -0.272 0.000 2.384 28 D HA -0.061 4.579 4.640 -0.000 0.000 0.244 28 D C 0.944 177.184 176.300 -0.099 0.000 1.251 28 D CA -0.233 53.712 54.000 -0.092 0.000 0.961 28 D CB 0.926 41.787 40.800 0.101 0.000 1.116 28 D HN 0.427 nan 8.370 nan 0.000 0.484 29 S N -0.635 115.000 115.700 -0.108 0.000 2.442 29 S HA -0.241 4.229 4.470 -0.000 0.000 0.236 29 S C 1.495 175.966 174.600 -0.214 0.000 1.007 29 S CA 1.045 59.131 58.200 -0.190 0.000 0.965 29 S CB -0.915 62.142 63.200 -0.239 0.000 0.773 29 S HN 0.610 nan 8.310 nan 0.000 0.504 30 H N 1.295 120.342 119.070 -0.040 0.000 2.462 30 H HA 0.304 4.860 4.556 -0.000 0.000 0.292 30 H C 1.973 177.279 175.328 -0.037 0.000 1.049 30 H CA 0.958 56.989 56.048 -0.028 0.000 1.334 30 H CB -0.184 29.573 29.762 -0.008 0.000 1.404 30 H HN 0.609 nan 8.280 nan 0.000 0.544 31 G N -0.026 108.801 108.800 0.045 0.000 2.211 31 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.201 31 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.201 31 G C 0.333 175.234 174.900 0.000 0.000 0.997 31 G CA -0.149 44.946 45.100 -0.007 0.000 0.652 31 G HN 0.316 nan 8.290 nan 0.000 0.500 32 R N 1.327 121.854 120.500 0.045 0.000 2.421 32 R HA 0.497 4.837 4.340 -0.000 0.000 0.305 32 R C 0.442 176.770 176.300 0.047 0.000 1.039 32 R CA 0.080 56.214 56.100 0.058 0.000 1.003 32 R CB 0.456 30.809 30.300 0.088 0.000 0.959 32 R HN 0.180 nan 8.270 nan 0.000 0.427 33 V N 4.585 124.528 119.914 0.048 0.000 2.583 33 V HA 0.601 4.721 4.120 -0.000 0.000 0.287 33 V C 0.488 176.687 176.094 0.176 0.000 1.051 33 V CA 0.299 62.639 62.300 0.067 0.000 1.010 33 V CB 0.938 32.757 31.823 -0.007 0.000 0.988 33 V HN 0.974 nan 8.190 nan 0.000 0.478 34 A N 5.392 128.343 122.820 0.219 0.000 2.486 34 A HA 0.919 5.239 4.320 -0.000 0.000 0.289 34 A C -0.998 176.733 177.584 0.246 0.000 1.176 34 A CA -0.739 51.447 52.037 0.247 0.000 0.757 34 A CB 1.430 20.573 19.000 0.239 0.000 1.337 34 A HN 0.677 nan 8.150 nan 0.000 0.423 35 I N 0.908 121.554 120.570 0.126 0.000 2.382 35 I HA 0.361 4.531 4.170 -0.000 0.000 0.286 35 I C -0.412 175.697 176.117 -0.013 0.000 1.002 35 I CA -0.822 60.486 61.300 0.012 0.000 1.135 35 I CB 1.655 39.589 38.000 -0.109 0.000 1.288 35 I HN 0.366 nan 8.210 nan 0.000 0.448 36 V N 8.402 128.320 119.914 0.006 0.000 2.498 36 V HA 0.434 4.554 4.120 -0.000 0.000 0.279 36 V C -0.246 175.810 176.094 -0.063 0.000 1.048 36 V CA 0.025 62.325 62.300 -0.000 0.000 0.967 36 V CB 1.604 33.435 31.823 0.013 0.000 0.988 36 V HN 0.464 nan 8.190 nan 0.000 0.473 37 V N 5.982 125.862 119.914 -0.057 0.000 2.656 37 V HA 0.724 4.844 4.120 -0.000 0.000 0.307 37 V C 0.556 176.602 176.094 -0.080 0.000 1.051 37 V CA -0.176 62.000 62.300 -0.207 0.000 0.893 37 V CB 1.720 33.168 31.823 -0.624 0.000 0.999 37 V HN 1.010 nan 8.190 nan 0.000 0.426 38 G N 2.191 110.939 108.800 -0.087 0.000 2.356 38 G HA2 0.643 4.603 3.960 -0.000 0.000 0.322 38 G HA3 0.643 4.603 3.960 -0.000 0.000 0.322 38 G C -0.326 174.610 174.900 0.060 0.000 1.125 38 G CA -0.202 44.903 45.100 0.009 0.000 0.885 38 G HN 1.199 nan 8.290 nan 0.000 0.467 39 A N 4.187 127.093 122.820 0.143 0.000 3.030 39 A HA 0.646 4.966 4.320 -0.000 0.000 0.335 39 A C -1.544 176.102 177.584 0.104 0.000 1.089 39 A CA -1.165 51.006 52.037 0.223 0.000 0.807 39 A CB 1.420 20.739 19.000 0.531 0.000 1.099 39 A HN 0.434 nan 8.150 nan 0.000 0.474 40 P HA -0.106 nan 4.420 nan 0.000 0.231 40 P C 0.602 177.881 177.300 -0.035 0.000 1.158 40 P CA 0.914 63.962 63.100 -0.087 0.000 0.763 40 P CB 0.175 31.698 31.700 -0.295 0.000 0.805 41 R N -1.148 119.353 120.500 0.002 0.000 2.596 41 R HA 0.189 4.529 4.340 -0.000 0.000 0.369 41 R C 0.115 176.450 176.300 0.058 0.000 1.042 41 R CA -0.058 56.051 56.100 0.016 0.000 1.120 41 R CB 0.094 30.392 30.300 -0.003 0.000 1.353 41 R HN 0.056 nan 8.270 nan 0.000 0.564 42 T N 2.515 117.127 114.554 0.097 0.000 2.908 42 T HA 0.060 4.410 4.350 -0.000 0.000 0.301 42 T C 0.702 175.446 174.700 0.073 0.000 1.019 42 T CA 0.283 62.458 62.100 0.125 0.000 1.152 42 T CB 0.767 69.742 68.868 0.178 0.000 0.966 42 T HN 0.105 nan 8.240 nan 0.000 0.540 43 L N 3.023 124.287 121.223 0.070 0.000 2.453 43 L HA 0.304 4.644 4.340 -0.000 0.000 0.272 43 L C 1.537 178.431 176.870 0.041 0.000 1.182 43 L CA -0.387 54.481 54.840 0.047 0.000 0.858 43 L CB 0.088 42.172 42.059 0.042 0.000 1.120 43 L HN 0.812 nan 8.230 nan 0.000 0.474 44 G N 3.002 111.819 108.800 0.028 0.000 2.525 44 G HA2 0.161 4.120 3.960 -0.000 0.000 0.276 44 G HA3 0.161 4.120 3.960 -0.000 0.000 0.276 44 G C -1.478 173.435 174.900 0.022 0.000 1.388 44 G CA -0.534 44.577 45.100 0.019 0.000 1.050 44 G HN 0.603 nan 8.290 nan 0.000 0.520 45 P HA 0.073 nan 4.420 nan 0.000 0.236 45 P C 0.748 178.060 177.300 0.019 0.000 1.177 45 P CA 0.644 63.755 63.100 0.017 0.000 0.773 45 P CB 0.534 32.242 31.700 0.013 0.000 0.878 46 S N -0.114 115.599 115.700 0.021 0.000 2.562 46 S HA 0.177 4.647 4.470 -0.000 0.000 0.246 46 S C 0.395 175.007 174.600 0.021 0.000 1.056 46 S CA -0.359 57.854 58.200 0.021 0.000 1.042 46 S CB -0.229 62.985 63.200 0.023 0.000 0.822 46 S HN 0.105 nan 8.310 nan 0.000 0.465 47 Q N 0.638 120.450 119.800 0.021 0.000 2.480 47 Q HA -0.238 4.102 4.340 -0.000 0.000 0.265 47 Q C -0.126 175.885 176.000 0.019 0.000 1.072 47 Q CA 1.049 56.864 55.803 0.020 0.000 1.018 47 Q CB -0.867 27.881 28.738 0.016 0.000 1.433 47 Q HN 0.718 nan 8.270 nan 0.000 0.513 48 E N 0.400 120.614 120.200 0.023 0.000 2.199 48 E HA 0.240 4.590 4.350 -0.000 0.000 0.269 48 E C -0.864 175.752 176.600 0.027 0.000 0.899 48 E CA -0.528 55.886 56.400 0.023 0.000 0.772 48 E CB 1.091 30.807 29.700 0.027 0.000 1.155 48 E HN 0.131 nan 8.360 nan 0.000 0.408 49 E N 2.147 122.360 120.200 0.022 0.000 2.406 49 E HA -0.032 4.318 4.350 -0.000 0.000 0.258 49 E C 0.387 177.008 176.600 0.036 0.000 1.043 49 E CA 0.583 56.998 56.400 0.025 0.000 0.929 49 E CB 0.651 30.358 29.700 0.012 0.000 0.969 49 E HN 0.607 nan 8.360 nan 0.000 0.462 50 T N 0.143 114.716 114.554 0.033 0.000 2.959 50 T HA 0.340 4.689 4.350 -0.000 0.000 0.254 50 T C 0.866 175.572 174.700 0.010 0.000 1.003 50 T CA 0.110 62.229 62.100 0.032 0.000 0.950 50 T CB 0.647 69.522 68.868 0.013 0.000 1.090 50 T HN 0.665 nan 8.240 nan 0.000 0.503 51 G N -0.320 108.485 108.800 0.008 0.000 2.781 51 G HA2 0.407 4.367 3.960 -0.000 0.000 0.683 51 G HA3 0.407 4.367 3.960 -0.000 0.000 0.683 51 G C -0.168 174.702 174.900 -0.050 0.000 1.390 51 G CA -0.464 44.632 45.100 -0.008 0.000 0.850 51 G HN 1.493 nan 8.290 nan 0.000 0.557 52 G N -1.979 106.789 108.800 -0.053 0.000 2.601 52 G HA2 0.796 4.756 3.960 -0.000 0.000 0.291 52 G HA3 0.796 4.756 3.960 -0.000 0.000 0.291 52 G C -1.274 173.514 174.900 -0.187 0.000 1.456 52 G CA 0.344 45.348 45.100 -0.160 0.000 0.804 52 G HN 1.719 nan 8.290 nan 0.000 0.499 53 V N 0.091 119.827 119.914 -0.298 0.000 2.604 53 V HA 0.750 4.870 4.120 -0.000 0.000 0.305 53 V C -1.064 174.794 176.094 -0.393 0.000 1.043 53 V CA -0.681 61.522 62.300 -0.162 0.000 0.888 53 V CB 1.399 33.269 31.823 0.078 0.000 0.995 53 V HN 0.591 nan 8.190 nan 0.000 0.429 54 F N 3.709 123.718 119.950 0.098 0.000 2.532 54 F HA 0.677 5.204 4.527 -0.000 0.000 0.321 54 F C -0.408 175.430 175.800 0.063 0.000 1.089 54 F CA -0.832 57.243 58.000 0.124 0.000 0.926 54 F CB 1.999 41.172 39.000 0.289 0.000 1.168 54 F HN 0.288 nan 8.300 nan 0.000 0.459 55 L N 3.871 125.225 121.223 0.218 0.000 2.313 55 L HA 0.522 4.861 4.340 -0.000 0.000 0.273 55 L C -1.006 175.937 176.870 0.122 0.000 1.028 55 L CA -0.516 54.395 54.840 0.119 0.000 0.871 55 L CB 0.150 42.241 42.059 0.054 0.000 1.242 55 L HN 0.688 nan 8.230 nan 0.000 0.434 56 c N 6.819 125.455 118.600 0.060 0.000 2.415 56 c HA 0.499 5.069 4.570 -0.000 0.000 0.369 56 c C -1.993 172.105 174.090 0.013 0.000 1.279 56 c CA -0.949 55.353 56.329 -0.046 0.000 1.886 56 c CB 0.121 42.368 42.510 -0.439 0.000 2.468 56 c HN 0.606 nan 8.230 nan 0.000 0.553 57 P HA 0.063 nan 4.420 nan 0.000 0.286 57 P C -0.387 177.086 177.300 0.288 0.000 1.261 57 P CA -0.523 62.688 63.100 0.185 0.000 0.821 57 P CB 0.671 32.462 31.700 0.153 0.000 1.013 58 W N 5.794 127.193 121.300 0.166 0.000 2.489 58 W HA 0.115 4.775 4.660 -0.000 0.000 0.327 58 W C -0.981 175.668 176.519 0.217 0.000 1.436 58 W CA 0.021 57.505 57.345 0.231 0.000 1.315 58 W CB 0.285 29.847 29.460 0.170 0.000 1.373 58 W HN 0.400 nan 8.180 nan 0.000 0.557 59 R N 4.255 124.385 120.500 -0.616 0.000 2.673 59 R HA 0.381 4.720 4.340 -0.000 0.000 0.281 59 R C 0.792 176.327 176.300 -1.276 0.000 0.991 59 R CA -0.198 55.379 56.100 -0.872 0.000 0.896 59 R CB 1.894 31.992 30.300 -0.337 0.000 1.201 59 R HN 0.560 nan 8.270 nan 0.000 0.457 60 A N 2.165 124.392 122.820 -0.989 0.000 1.883 60 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 60 A C 1.732 179.041 177.584 -0.458 0.000 1.186 60 A CA 1.834 53.492 52.037 -0.632 0.000 0.624 60 A CB -0.345 18.481 19.000 -0.291 0.000 0.822 60 A HN 0.859 nan 8.150 nan 0.000 0.444 61 E N -0.116 119.858 120.200 -0.377 0.000 2.274 61 E HA 0.194 4.544 4.350 -0.000 0.000 0.194 61 E C 1.296 177.676 176.600 -0.367 0.000 0.996 61 E CA 1.014 57.237 56.400 -0.294 0.000 0.840 61 E CB -1.010 28.570 29.700 -0.200 0.000 0.772 61 E HN 0.980 nan 8.360 nan 0.000 0.491 62 G N 0.895 109.383 108.800 -0.519 0.000 2.564 62 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.273 62 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.273 62 G C 0.601 175.289 174.900 -0.354 0.000 1.242 62 G CA 0.912 45.525 45.100 -0.811 0.000 0.951 62 G HN 1.264 nan 8.290 nan 0.000 0.564 63 G N -2.807 105.842 108.800 -0.252 0.000 2.301 63 G HA2 0.408 4.368 3.960 -0.000 0.000 0.194 63 G HA3 0.408 4.368 3.960 -0.000 0.000 0.194 63 G C -0.367 174.555 174.900 0.037 0.000 1.266 63 G CA 0.573 45.638 45.100 -0.058 0.000 1.210 63 G HN 1.332 nan 8.290 nan 0.000 0.524 64 Q N -0.470 119.336 119.800 0.011 0.000 2.312 64 Q HA 0.592 4.931 4.340 -0.000 0.000 0.236 64 Q C -0.267 175.777 176.000 0.073 0.000 0.965 64 Q CA 0.069 55.855 55.803 -0.029 0.000 0.894 64 Q CB 1.504 30.212 28.738 -0.049 0.000 1.225 64 Q HN 0.725 nan 8.270 nan 0.000 0.478 65 c N 1.884 120.507 118.600 0.039 0.000 2.707 65 c HA 0.611 5.181 4.570 -0.000 0.000 0.313 65 c C -2.133 172.110 174.090 0.255 0.000 1.209 65 c CA -1.224 55.207 56.329 0.170 0.000 1.635 65 c CB 1.771 44.429 42.510 0.247 0.000 2.206 65 c HN 0.702 nan 8.230 nan 0.000 0.485 66 P HA 0.199 nan 4.420 nan 0.000 0.278 66 P C -0.725 176.746 177.300 0.285 0.000 1.238 66 P CA 0.139 63.373 63.100 0.223 0.000 0.794 66 P CB 0.882 32.657 31.700 0.124 0.000 0.955 67 S N 2.001 117.798 115.700 0.162 0.000 2.439 67 S HA 0.211 4.681 4.470 -0.000 0.000 0.282 67 S C 0.040 174.546 174.600 -0.157 0.000 1.170 67 S CA -0.657 57.479 58.200 -0.107 0.000 1.054 67 S CB -0.648 62.445 63.200 -0.179 0.000 0.956 67 S HN 0.365 nan 8.310 nan 0.000 0.490 68 L N 6.658 127.766 121.223 -0.192 0.000 2.530 68 L HA 0.308 4.648 4.340 -0.000 0.000 0.273 68 L C -0.399 176.197 176.870 -0.456 0.000 1.141 68 L CA 0.231 54.916 54.840 -0.259 0.000 0.905 68 L CB 0.011 41.979 42.059 -0.152 0.000 1.202 68 L HN 0.625 nan 8.230 nan 0.000 0.473 69 L N 5.873 126.794 121.223 -0.503 0.000 2.380 69 L HA 0.433 4.773 4.340 -0.000 0.000 0.273 69 L C -0.725 175.697 176.870 -0.746 0.000 1.138 69 L CA 0.841 55.418 54.840 -0.438 0.000 0.832 69 L CB 0.375 42.279 42.059 -0.259 0.000 1.124 69 L HN 0.426 nan 8.230 nan 0.000 0.454 70 F N 1.438 121.280 119.950 -0.180 0.000 2.613 70 F HA 0.271 4.798 4.527 -0.000 0.000 0.310 70 F C -0.140 175.559 175.800 -0.169 0.000 1.085 70 F CA -1.218 56.651 58.000 -0.218 0.000 0.945 70 F CB 1.254 39.958 39.000 -0.494 0.000 1.298 70 F HN 0.336 nan 8.300 nan 0.000 0.455 71 D N 2.615 123.104 120.400 0.147 0.000 2.342 71 D HA 0.157 4.797 4.640 -0.000 0.000 0.260 71 D C 0.337 176.700 176.300 0.105 0.000 1.278 71 D CA 0.414 54.490 54.000 0.127 0.000 0.910 71 D CB 0.654 41.568 40.800 0.191 0.000 1.079 71 D HN 0.543 nan 8.370 nan 0.000 0.496 72 L N 3.555 124.809 121.223 0.051 0.000 2.653 72 L HA 0.224 4.564 4.340 -0.000 0.000 0.231 72 L C 1.106 178.021 176.870 0.075 0.000 1.153 72 L CA -0.206 54.661 54.840 0.046 0.000 0.933 72 L CB 0.027 42.089 42.059 0.005 0.000 1.175 72 L HN 0.040 nan 8.230 nan 0.000 0.473 73 R N 0.672 121.222 120.500 0.083 0.000 2.340 73 R HA 0.190 4.530 4.340 -0.000 0.000 0.300 73 R C -0.496 175.848 176.300 0.074 0.000 1.069 73 R CA -0.689 55.452 56.100 0.068 0.000 0.984 73 R CB 0.859 31.193 30.300 0.056 0.000 1.003 73 R HN -0.037 nan 8.270 nan 0.000 0.459 74 D N 2.156 122.583 120.400 0.046 0.000 2.368 74 D HA 0.063 4.702 4.640 -0.000 0.000 0.240 74 D C -0.216 176.070 176.300 -0.025 0.000 1.169 74 D CA 0.417 54.415 54.000 -0.003 0.000 0.906 74 D CB 0.743 41.511 40.800 -0.052 0.000 1.187 74 D HN 0.355 nan 8.370 nan 0.000 0.435 75 E N -0.357 119.803 120.200 -0.065 0.000 2.266 75 E HA 0.542 4.892 4.350 -0.000 0.000 0.268 75 E C -0.946 175.589 176.600 -0.108 0.000 0.879 75 E CA -0.801 55.575 56.400 -0.040 0.000 0.762 75 E CB 2.039 31.758 29.700 0.032 0.000 1.199 75 E HN 0.147 nan 8.360 nan 0.000 0.422 76 T N 2.052 116.559 114.554 -0.078 0.000 2.861 76 T HA 0.493 4.843 4.350 -0.000 0.000 0.287 76 T C -0.866 173.807 174.700 -0.046 0.000 1.003 76 T CA -0.761 61.282 62.100 -0.095 0.000 0.977 76 T CB 1.217 70.031 68.868 -0.089 0.000 0.996 76 T HN 0.258 nan 8.240 nan 0.000 0.448 77 R N 2.827 123.301 120.500 -0.043 0.000 2.500 77 R HA 0.297 4.637 4.340 -0.000 0.000 0.299 77 R C -1.189 175.101 176.300 -0.017 0.000 1.038 77 R CA -0.671 55.422 56.100 -0.012 0.000 0.903 77 R CB 0.569 30.884 30.300 0.024 0.000 1.177 77 R HN 0.504 nan 8.270 nan 0.000 0.455 78 N N 3.455 122.147 118.700 -0.014 0.000 2.439 78 N HA 0.173 4.913 4.740 -0.000 0.000 0.243 78 N C -1.099 174.411 175.510 0.000 0.000 1.088 78 N CA 0.017 53.060 53.050 -0.011 0.000 0.940 78 N CB 1.771 40.251 38.487 -0.011 0.000 1.180 78 N HN 0.273 nan 8.380 nan 0.000 0.505 79 V N 0.360 120.278 119.914 0.007 0.000 2.851 79 V HA 0.623 4.743 4.120 -0.000 0.000 0.307 79 V C 0.533 176.638 176.094 0.019 0.000 1.129 79 V CA -0.154 62.155 62.300 0.015 0.000 0.932 79 V CB 1.474 33.312 31.823 0.025 0.000 1.024 79 V HN 0.814 nan 8.190 nan 0.000 0.426 80 G N 4.512 113.322 108.800 0.017 0.000 2.273 80 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.280 80 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.280 80 G C 0.592 175.501 174.900 0.014 0.000 1.047 80 G CA 0.905 46.016 45.100 0.018 0.000 0.869 80 G HN 2.071 nan 8.290 nan 0.000 0.502 81 S N -1.987 113.719 115.700 0.009 0.000 3.533 81 S HA -0.219 4.251 4.470 -0.000 0.000 0.347 81 S C 0.674 175.277 174.600 0.004 0.000 1.101 81 S CA 2.203 60.407 58.200 0.006 0.000 1.009 81 S CB -0.854 62.350 63.200 0.006 0.000 0.916 81 S HN 1.132 nan 8.310 nan 0.000 0.496 82 Q N -0.715 119.087 119.800 0.004 0.000 2.496 82 Q HA 0.622 4.962 4.340 -0.000 0.000 0.286 82 Q C -0.719 175.270 176.000 -0.018 0.000 1.103 82 Q CA -0.849 54.952 55.803 -0.004 0.000 0.813 82 Q CB 1.831 30.573 28.738 0.007 0.000 1.444 82 Q HN 0.197 nan 8.270 nan 0.000 0.443 83 T N 1.530 116.059 114.554 -0.042 0.000 2.833 83 T HA 0.442 4.792 4.350 -0.000 0.000 0.297 83 T C -0.499 174.114 174.700 -0.146 0.000 1.015 83 T CA -0.527 61.530 62.100 -0.071 0.000 0.963 83 T CB 0.229 69.061 68.868 -0.060 0.000 0.955 83 T HN 0.251 nan 8.240 nan 0.000 0.449 84 L N 3.443 124.571 121.223 -0.158 0.000 2.350 84 L HA 0.538 4.878 4.340 -0.000 0.000 0.275 84 L C 0.317 176.954 176.870 -0.388 0.000 1.099 84 L CA -0.596 54.047 54.840 -0.328 0.000 0.808 84 L CB 0.738 42.755 42.059 -0.070 0.000 1.149 84 L HN 0.500 nan 8.230 nan 0.000 0.442 85 Q N 1.626 121.017 119.800 -0.682 0.000 2.271 85 Q HA 0.359 4.698 4.340 -0.000 0.000 0.268 85 Q C -0.863 174.784 176.000 -0.589 0.000 1.021 85 Q CA -0.625 54.824 55.803 -0.591 0.000 0.802 85 Q CB 2.859 31.292 28.738 -0.508 0.000 1.282 85 Q HN 0.731 nan 8.270 nan 0.000 0.431 86 T N -0.982 113.312 114.554 -0.435 0.000 2.824 86 T HA 0.751 5.101 4.350 -0.000 0.000 0.280 86 T C -0.644 173.773 174.700 -0.472 0.000 0.995 86 T CA -0.473 61.531 62.100 -0.160 0.000 1.009 86 T CB 0.534 69.460 68.868 0.097 0.000 0.955 86 T HN 0.287 nan 8.240 nan 0.000 0.452 87 F N 1.530 121.585 119.950 0.176 0.000 2.496 87 F HA 0.490 5.017 4.527 -0.000 0.000 0.341 87 F C 1.128 177.032 175.800 0.174 0.000 1.134 87 F CA -1.011 57.075 58.000 0.144 0.000 0.968 87 F CB 2.220 41.294 39.000 0.124 0.000 1.205 87 F HN 0.591 nan 8.300 nan 0.000 0.436 88 K N 1.745 122.312 120.400 0.278 0.000 2.353 88 K HA 0.360 4.680 4.320 -0.000 0.000 0.195 88 K C 0.646 177.361 176.600 0.192 0.000 1.031 88 K CA -0.104 56.322 56.287 0.232 0.000 1.079 88 K CB 0.631 33.247 32.500 0.193 0.000 0.857 88 K HN 0.593 nan 8.250 nan 0.000 0.535 89 A N 1.946 124.876 122.820 0.183 0.000 2.524 89 A HA 0.076 4.396 4.320 -0.000 0.000 0.250 89 A C -0.030 177.625 177.584 0.118 0.000 1.078 89 A CA 0.187 52.295 52.037 0.119 0.000 0.761 89 A CB -0.254 18.798 19.000 0.087 0.000 1.012 89 A HN 0.503 nan 8.150 nan 0.000 0.500 90 R N 0.247 120.803 120.500 0.093 0.000 3.641 90 R HA -0.251 4.088 4.340 -0.000 0.000 0.286 90 R C 1.219 177.642 176.300 0.206 0.000 1.153 90 R CA 1.230 57.385 56.100 0.090 0.000 0.775 90 R CB -1.865 28.448 30.300 0.021 0.000 1.215 90 R HN 1.025 nan 8.270 nan 0.000 0.474 91 Q N -0.208 119.728 119.800 0.226 0.000 2.311 91 Q HA 0.042 4.382 4.340 -0.000 0.000 0.203 91 Q C 1.144 177.320 176.000 0.293 0.000 0.954 91 Q CA 0.903 56.877 55.803 0.286 0.000 0.885 91 Q CB 0.415 29.287 28.738 0.224 0.000 0.963 91 Q HN 0.439 nan 8.270 nan 0.000 0.471 92 G N 1.919 110.865 108.800 0.242 0.000 2.256 92 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.272 92 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.272 92 G C -0.351 174.537 174.900 -0.021 0.000 1.076 92 G CA 0.082 45.301 45.100 0.198 0.000 0.882 92 G HN 0.396 nan 8.290 nan 0.000 0.497 93 L N 0.218 121.421 121.223 -0.033 0.000 2.584 93 L HA 0.493 4.833 4.340 -0.000 0.000 0.272 93 L C 1.490 178.281 176.870 -0.133 0.000 1.195 93 L CA 1.724 56.492 54.840 -0.120 0.000 0.920 93 L CB 0.304 42.222 42.059 -0.236 0.000 1.173 93 L HN 1.713 nan 8.230 nan 0.000 0.489 94 G N 3.053 111.765 108.800 -0.147 0.000 2.141 94 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.231 94 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.231 94 G C 0.892 175.743 174.900 -0.081 0.000 0.984 94 G CA 0.348 45.389 45.100 -0.099 0.000 0.660 94 G HN 1.290 nan 8.290 nan 0.000 0.525 95 A N -0.405 122.308 122.820 -0.179 0.000 2.019 95 A HA 0.461 4.781 4.320 -0.000 0.000 0.219 95 A C 1.668 179.235 177.584 -0.028 0.000 1.164 95 A CA 2.349 54.248 52.037 -0.229 0.000 0.644 95 A CB -0.221 18.450 19.000 -0.548 0.000 0.805 95 A HN 2.146 nan 8.150 nan 0.000 0.449 96 S N -1.488 114.142 115.700 -0.116 0.000 2.540 96 S HA 0.625 5.095 4.470 -0.000 0.000 0.275 96 S C -0.892 173.665 174.600 -0.072 0.000 1.123 96 S CA -0.087 58.065 58.200 -0.080 0.000 0.907 96 S CB 1.672 64.792 63.200 -0.135 0.000 1.081 96 S HN 1.302 nan 8.310 nan 0.000 0.476 97 V N -0.418 119.470 119.914 -0.045 0.000 2.808 97 V HA 0.976 5.096 4.120 -0.000 0.000 0.308 97 V C -0.727 175.363 176.094 -0.007 0.000 1.099 97 V CA -0.704 61.578 62.300 -0.029 0.000 0.920 97 V CB 0.927 32.737 31.823 -0.021 0.000 1.014 97 V HN 1.158 nan 8.190 nan 0.000 0.425 98 V N 2.714 122.642 119.914 0.022 0.000 3.007 98 V HA 0.890 5.010 4.120 -0.000 0.000 0.311 98 V C -0.466 175.703 176.094 0.125 0.000 1.120 98 V CA 0.346 62.683 62.300 0.061 0.000 0.980 98 V CB 2.561 34.411 31.823 0.045 0.000 1.033 98 V HN 1.441 nan 8.190 nan 0.000 0.429 99 S N 4.625 120.435 115.700 0.183 0.000 2.536 99 S HA 0.824 5.294 4.470 -0.000 0.000 0.298 99 S C -1.855 172.952 174.600 0.345 0.000 1.083 99 S CA -0.462 57.904 58.200 0.277 0.000 0.995 99 S CB 1.541 64.941 63.200 0.335 0.000 1.058 99 S HN 1.047 nan 8.310 nan 0.000 0.488 100 W N 4.065 125.455 121.300 0.149 0.000 3.326 100 W HA 0.491 5.151 4.660 -0.000 0.000 0.333 100 W C 0.128 176.707 176.519 0.100 0.000 1.108 100 W CA 0.492 57.898 57.345 0.101 0.000 1.245 100 W CB 0.920 30.427 29.460 0.078 0.000 1.331 100 W HN 1.022 nan 8.180 nan 0.000 0.464 101 S N 2.735 117.990 115.700 -0.741 0.000 4.054 101 S HA -0.373 4.097 4.470 -0.000 0.000 0.618 101 S C 0.804 175.254 174.600 -0.250 0.000 2.026 101 S CA 2.234 60.016 58.200 -0.697 0.000 4.205 101 S CB -1.130 61.353 63.200 -1.196 0.000 0.233 101 S HN 1.019 nan 8.310 nan 0.000 0.612 102 D N 1.904 122.216 120.400 -0.147 0.000 2.395 102 D HA 0.376 5.016 4.640 -0.000 0.000 0.226 102 D C 0.270 176.702 176.300 0.219 0.000 1.146 102 D CA 0.113 54.148 54.000 0.059 0.000 0.830 102 D CB -0.354 40.431 40.800 -0.025 0.000 0.958 102 D HN 0.382 nan 8.370 nan 0.000 0.501 103 V N 0.586 120.666 119.914 0.277 0.000 2.667 103 V HA 0.449 4.568 4.120 -0.000 0.000 0.308 103 V C 0.153 176.432 176.094 0.310 0.000 1.048 103 V CA -0.913 61.586 62.300 0.332 0.000 0.928 103 V CB 2.344 34.446 31.823 0.465 0.000 1.004 103 V HN 0.059 nan 8.190 nan 0.000 0.444 104 I N 3.105 123.805 120.570 0.217 0.000 2.465 104 I HA 0.501 4.671 4.170 -0.000 0.000 0.291 104 I C -1.031 175.188 176.117 0.170 0.000 1.014 104 I CA -0.840 60.548 61.300 0.148 0.000 1.093 104 I CB 2.272 40.282 38.000 0.016 0.000 1.267 104 I HN 0.247 nan 8.210 nan 0.000 0.431 105 V N 5.432 125.415 119.914 0.116 0.000 2.326 105 V HA 0.560 4.680 4.120 -0.000 0.000 0.281 105 V C 0.183 176.272 176.094 -0.008 0.000 1.015 105 V CA -0.495 61.834 62.300 0.049 0.000 0.823 105 V CB 1.280 33.121 31.823 0.030 0.000 1.009 105 V HN 0.808 nan 8.190 nan 0.000 0.436 106 A N 4.239 127.018 122.820 -0.068 0.000 2.304 106 A HA 0.745 5.065 4.320 -0.000 0.000 0.323 106 A C -0.257 177.249 177.584 -0.129 0.000 1.195 106 A CA -0.320 51.639 52.037 -0.130 0.000 0.826 106 A CB 0.819 19.689 19.000 -0.216 0.000 1.184 106 A HN 0.801 nan 8.150 nan 0.000 0.496 107 c N 1.466 119.990 118.600 -0.126 0.000 2.435 107 c HA 0.819 5.389 4.570 -0.000 0.000 0.333 107 c C 0.813 174.810 174.090 -0.154 0.000 1.202 107 c CA -0.347 55.901 56.329 -0.135 0.000 1.830 107 c CB 1.168 43.567 42.510 -0.185 0.000 2.326 107 c HN 0.991 nan 8.230 nan 0.000 0.507 108 A N 3.110 125.862 122.820 -0.112 0.000 2.511 108 A HA 0.585 4.905 4.320 -0.000 0.000 0.340 108 A C -1.954 175.462 177.584 -0.279 0.000 1.396 108 A CA -0.998 50.962 52.037 -0.130 0.000 0.887 108 A CB 0.172 19.233 19.000 0.101 0.000 1.145 108 A HN 0.669 nan 8.150 nan 0.000 0.497 109 P HA -0.090 nan 4.420 nan 0.000 0.220 109 P C 0.520 177.451 177.300 -0.614 0.000 1.148 109 P CA 1.039 63.698 63.100 -0.735 0.000 0.803 109 P CB 0.168 31.122 31.700 -1.242 0.000 0.782 110 W N -0.444 120.834 121.300 -0.036 0.000 3.223 110 W HA 0.328 4.988 4.660 -0.000 0.000 0.389 110 W C 0.388 176.935 176.519 0.047 0.000 1.118 110 W CA -0.452 56.884 57.345 -0.015 0.000 1.902 110 W CB -1.030 28.458 29.460 0.047 0.000 1.094 110 W HN 0.086 nan 8.180 nan 0.000 0.666 111 Q N 1.310 121.197 119.800 0.146 0.000 2.274 111 Q HA -0.026 4.314 4.340 -0.000 0.000 0.280 111 Q C -0.585 175.522 176.000 0.178 0.000 1.047 111 Q CA 0.796 56.721 55.803 0.204 0.000 0.907 111 Q CB 0.519 29.324 28.738 0.111 0.000 1.171 111 Q HN 0.143 nan 8.270 nan 0.000 0.381 112 H N 2.713 121.948 119.070 0.276 0.000 2.508 112 H HA 0.478 5.034 4.556 -0.000 0.000 0.344 112 H C -1.073 174.563 175.328 0.513 0.000 1.192 112 H CA -0.182 56.065 56.048 0.330 0.000 1.290 112 H CB 0.986 30.893 29.762 0.242 0.000 1.571 112 H HN 0.643 nan 8.280 nan 0.000 0.555 113 W N 2.219 123.732 121.300 0.355 0.000 3.372 113 W HA 0.364 5.024 4.660 -0.000 0.000 0.315 113 W C -1.972 174.705 176.519 0.263 0.000 1.223 113 W CA -0.395 57.099 57.345 0.249 0.000 1.202 113 W CB 2.142 31.631 29.460 0.048 0.000 1.367 113 W HN 0.568 nan 8.180 nan 0.000 0.531 114 N N 2.300 120.666 118.700 -0.557 0.000 2.591 114 N HA 0.632 5.371 4.740 -0.000 0.000 0.263 114 N C -2.229 172.844 175.510 -0.729 0.000 1.308 114 N CA -0.380 52.416 53.050 -0.425 0.000 0.837 114 N CB 2.586 41.079 38.487 0.010 0.000 1.548 114 N HN 0.132 nan 8.380 nan 0.000 0.493 115 V N 2.265 121.962 119.914 -0.360 0.000 2.577 115 V HA 0.532 4.652 4.120 -0.000 0.000 0.303 115 V C -0.521 175.517 176.094 -0.093 0.000 1.042 115 V CA -0.687 61.467 62.300 -0.244 0.000 0.872 115 V CB 1.547 33.310 31.823 -0.100 0.000 0.998 115 V HN 0.478 nan 8.190 nan 0.000 0.423 116 L N 3.862 125.039 121.223 -0.077 0.000 2.307 116 L HA 0.712 5.052 4.340 -0.000 0.000 0.284 116 L C -0.159 176.701 176.870 -0.016 0.000 1.023 116 L CA -0.352 54.470 54.840 -0.029 0.000 0.810 116 L CB 1.877 43.922 42.059 -0.023 0.000 1.231 116 L HN 0.678 nan 8.230 nan 0.000 0.423 117 E N 4.352 124.552 120.200 0.000 0.000 2.373 117 E HA 0.281 4.631 4.350 -0.000 0.000 0.251 117 E C -0.745 175.860 176.600 0.008 0.000 0.923 117 E CA -0.358 56.044 56.400 0.004 0.000 0.798 117 E CB 0.923 30.629 29.700 0.010 0.000 1.303 117 E HN 0.594 nan 8.360 nan 0.000 0.412 118 K N -0.216 120.187 120.400 0.005 0.000 1.867 118 K HA -0.302 4.017 4.320 -0.000 0.000 0.140 118 K C 1.193 177.799 176.600 0.010 0.000 1.408 118 K CA 2.060 58.352 56.287 0.007 0.000 0.461 118 K CB -1.543 30.962 32.500 0.008 0.000 0.594 118 K HN 0.654 nan 8.250 nan 0.000 0.888 119 T N -0.006 114.555 114.554 0.012 0.000 3.085 119 T HA 0.024 4.374 4.350 -0.000 0.000 0.263 119 T C 0.551 175.263 174.700 0.021 0.000 1.127 119 T CA 0.951 63.060 62.100 0.015 0.000 1.103 119 T CB -0.132 68.745 68.868 0.016 0.000 0.921 119 T HN 0.362 nan 8.240 nan 0.000 0.510 120 E N 1.128 121.342 120.200 0.023 0.000 2.254 120 E HA 0.569 4.919 4.350 -0.000 0.000 0.261 120 E C -0.304 176.316 176.600 0.033 0.000 1.051 120 E CA -0.905 55.515 56.400 0.033 0.000 0.902 120 E CB 1.007 30.729 29.700 0.035 0.000 1.168 120 E HN 0.717 nan 8.360 nan 0.000 0.423 121 E N -0.981 119.249 120.200 0.049 0.000 2.430 121 E HA 0.525 4.875 4.350 -0.000 0.000 0.279 121 E C -0.569 176.083 176.600 0.086 0.000 1.003 121 E CA -0.822 55.606 56.400 0.047 0.000 0.801 121 E CB 1.064 30.784 29.700 0.034 0.000 1.313 121 E HN 0.386 nan 8.360 nan 0.000 0.459 122 A N 1.286 124.156 122.820 0.085 0.000 2.014 122 A HA 0.028 4.348 4.320 -0.000 0.000 0.218 122 A C 0.071 177.731 177.584 0.126 0.000 1.163 122 A CA 1.449 53.576 52.037 0.151 0.000 0.652 122 A CB -0.701 18.396 19.000 0.162 0.000 0.808 122 A HN 0.662 nan 8.150 nan 0.000 0.449 123 E N -1.655 118.596 120.200 0.085 0.000 7.533 123 E HA -0.080 4.270 4.350 -0.000 0.000 0.371 123 E C -0.765 175.887 176.600 0.088 0.000 0.627 123 E CA 0.004 56.456 56.400 0.087 0.000 1.217 123 E CB -0.417 29.356 29.700 0.121 0.000 0.935 123 E HN 0.473 nan 8.360 nan 0.000 0.262 124 K N 2.788 123.230 120.400 0.070 0.000 2.363 124 K HA 0.204 4.524 4.320 -0.000 0.000 0.289 124 K C -0.457 176.279 176.600 0.227 0.000 1.063 124 K CA 0.865 57.209 56.287 0.094 0.000 0.967 124 K CB 0.293 32.743 32.500 -0.083 0.000 0.987 124 K HN 0.483 nan 8.250 nan 0.000 0.473 125 T N 1.375 116.098 114.554 0.283 0.000 2.894 125 T HA 0.408 4.757 4.350 -0.000 0.000 0.309 125 T C -2.913 171.734 174.700 -0.088 0.000 1.208 125 T CA -1.936 60.288 62.100 0.206 0.000 1.016 125 T CB 1.949 70.898 68.868 0.134 0.000 1.192 125 T HN 0.326 nan 8.240 nan 0.000 0.491 126 P HA 0.231 nan 4.420 nan 0.000 0.247 126 P C 1.374 178.545 177.300 -0.215 0.000 1.756 126 P CA -0.531 62.258 63.100 -0.518 0.000 1.117 126 P CB 0.236 31.715 31.700 -0.369 0.000 1.869 127 V N 0.383 120.190 119.914 -0.178 0.000 2.759 127 V HA 0.177 4.297 4.120 -0.000 0.000 0.256 127 V C 0.994 176.928 176.094 -0.266 0.000 1.080 127 V CA 1.010 63.165 62.300 -0.243 0.000 1.101 127 V CB -1.906 29.733 31.823 -0.307 0.000 0.698 127 V HN 0.661 nan 8.190 nan 0.000 0.477 128 G N -0.531 108.137 108.800 -0.220 0.000 2.787 128 G HA2 0.106 4.066 3.960 -0.000 0.000 0.685 128 G HA3 0.106 4.066 3.960 -0.000 0.000 0.685 128 G C -0.391 174.337 174.900 -0.285 0.000 1.437 128 G CA 0.046 44.998 45.100 -0.246 0.000 0.872 128 G HN 1.603 nan 8.290 nan 0.000 0.566 129 S N -1.227 114.300 115.700 -0.289 0.000 2.543 129 S HA 0.636 5.106 4.470 -0.000 0.000 0.274 129 S C -0.525 173.845 174.600 -0.384 0.000 1.149 129 S CA 0.089 58.062 58.200 -0.377 0.000 0.866 129 S CB 1.231 64.181 63.200 -0.417 0.000 1.111 129 S HN 1.535 nan 8.310 nan 0.000 0.457 130 c N 3.632 121.993 118.600 -0.398 0.000 2.351 130 c HA 0.685 5.255 4.570 -0.000 0.000 0.326 130 c C -0.822 173.005 174.090 -0.439 0.000 1.272 130 c CA -0.699 55.449 56.329 -0.302 0.000 1.650 130 c CB -0.367 42.052 42.510 -0.152 0.000 2.257 130 c HN 0.744 nan 8.230 nan 0.000 0.505 131 F N 3.241 122.995 119.950 -0.327 0.000 2.410 131 F HA 0.596 5.123 4.527 -0.000 0.000 0.349 131 F C 0.091 175.729 175.800 -0.271 0.000 1.117 131 F CA -0.593 57.177 58.000 -0.384 0.000 1.104 131 F CB 0.550 39.074 39.000 -0.793 0.000 1.122 131 F HN 0.209 nan 8.300 nan 0.000 0.483 132 L N 3.629 124.836 121.223 -0.026 0.000 2.307 132 L HA 0.785 5.125 4.340 -0.000 0.000 0.284 132 L C -0.109 176.911 176.870 0.251 0.000 1.023 132 L CA -0.422 54.422 54.840 0.006 0.000 0.810 132 L CB 1.567 43.414 42.059 -0.353 0.000 1.231 132 L HN 0.742 nan 8.230 nan 0.000 0.423 133 A N 2.809 125.861 122.820 0.387 0.000 2.401 133 A HA 0.747 5.067 4.320 -0.000 0.000 0.310 133 A C -0.838 176.938 177.584 0.319 0.000 1.075 133 A CA -0.513 51.738 52.037 0.357 0.000 0.746 133 A CB 1.538 20.693 19.000 0.258 0.000 1.277 133 A HN 0.661 nan 8.150 nan 0.000 0.425 134 Q N 2.672 122.606 119.800 0.225 0.000 2.674 134 Q HA 0.338 4.678 4.340 -0.000 0.000 0.249 134 Q C -2.191 173.838 176.000 0.048 0.000 1.011 134 Q CA -1.906 53.963 55.803 0.109 0.000 0.734 134 Q CB 1.213 29.942 28.738 -0.016 0.000 1.201 134 Q HN 0.445 nan 8.270 nan 0.000 0.498 135 P HA -0.236 nan 4.420 nan 0.000 0.216 135 P C 0.163 177.479 177.300 0.027 0.000 1.154 135 P CA 1.546 64.651 63.100 0.008 0.000 0.865 135 P CB 0.316 32.024 31.700 0.012 0.000 0.789 136 E N -1.051 119.178 120.200 0.048 0.000 2.427 136 E HA -0.057 4.292 4.350 -0.000 0.000 0.196 136 E C 1.766 178.376 176.600 0.016 0.000 1.028 136 E CA 1.205 57.631 56.400 0.043 0.000 0.864 136 E CB -0.154 29.575 29.700 0.047 0.000 0.813 136 E HN 0.389 nan 8.360 nan 0.000 0.514 137 S N -1.675 114.027 115.700 0.002 0.000 2.539 137 S HA 0.259 4.729 4.470 -0.000 0.000 0.226 137 S C 1.664 176.264 174.600 0.000 0.000 1.054 137 S CA 0.383 58.578 58.200 -0.008 0.000 0.910 137 S CB 0.940 64.120 63.200 -0.033 0.000 0.818 137 S HN 0.273 nan 8.310 nan 0.000 0.490 138 G N 1.590 110.392 108.800 0.004 0.000 2.176 138 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.232 138 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.232 138 G C 0.114 175.034 174.900 0.035 0.000 0.986 138 G CA -0.145 44.957 45.100 0.002 0.000 0.643 138 G HN 0.564 nan 8.290 nan 0.000 0.522 139 R N 0.477 121.014 120.500 0.062 0.000 2.623 139 R HA 0.447 4.787 4.340 -0.000 0.000 0.271 139 R C 0.263 176.723 176.300 0.267 0.000 1.043 139 R CA 0.199 56.387 56.100 0.146 0.000 1.083 139 R CB 0.320 30.678 30.300 0.098 0.000 0.974 139 R HN 0.123 nan 8.270 nan 0.000 0.436 140 R N 0.754 121.422 120.500 0.280 0.000 2.686 140 R HA 0.659 4.999 4.340 -0.000 0.000 0.286 140 R C -1.021 175.337 176.300 0.096 0.000 0.969 140 R CA -0.812 55.427 56.100 0.232 0.000 0.898 140 R CB 2.321 32.722 30.300 0.170 0.000 1.183 140 R HN 0.737 nan 8.270 nan 0.000 0.456 141 A N 1.589 124.254 122.820 -0.257 0.000 2.566 141 A HA 0.731 5.051 4.320 -0.000 0.000 0.292 141 A C -1.154 175.922 177.584 -0.847 0.000 1.112 141 A CA -0.681 50.889 52.037 -0.778 0.000 0.707 141 A CB 2.082 20.504 19.000 -0.963 0.000 1.302 141 A HN 0.650 nan 8.150 nan 0.000 0.409 142 E N -0.925 118.595 120.200 -1.134 0.000 2.392 142 E HA 0.590 4.940 4.350 -0.000 0.000 0.269 142 E C -2.168 174.447 176.600 0.025 0.000 0.924 142 E CA -0.580 55.489 56.400 -0.551 0.000 0.784 142 E CB 2.632 32.004 29.700 -0.547 0.000 1.292 142 E HN 0.542 nan 8.360 nan 0.000 0.447 143 Y N 0.367 120.573 120.300 -0.156 0.000 2.358 143 Y HA 0.331 4.880 4.550 -0.000 0.000 0.324 143 Y C -1.339 174.386 175.900 -0.290 0.000 1.123 143 Y CA -0.677 57.346 58.100 -0.128 0.000 1.067 143 Y CB 1.947 40.311 38.460 -0.160 0.000 1.230 143 Y HN 0.396 nan 8.280 nan 0.000 0.429 144 S N 8.330 123.564 115.700 -0.777 0.000 2.359 144 S HA 0.321 4.791 4.470 -0.000 0.000 0.148 144 S C -2.333 171.728 174.600 -0.899 0.000 1.610 144 S CA -0.976 56.764 58.200 -0.766 0.000 1.274 144 S CB 0.498 63.349 63.200 -0.581 0.000 1.380 144 S HN 0.578 nan 8.310 nan 0.000 0.380 145 P HA 0.124 nan 4.420 nan 0.000 0.234 145 P C 0.811 177.770 177.300 -0.568 0.000 1.167 145 P CA 0.448 63.061 63.100 -0.813 0.000 0.763 145 P CB -0.224 30.999 31.700 -0.796 0.000 0.835 146 c N -0.678 117.585 118.600 -0.562 0.000 2.791 146 c HA 0.245 4.815 4.570 -0.000 0.000 0.270 146 c C 1.362 175.152 174.090 -0.500 0.000 1.257 146 c CA -0.437 55.615 56.329 -0.463 0.000 1.699 146 c CB -1.203 41.049 42.510 -0.430 0.000 1.904 146 c HN 0.189 nan 8.230 nan 0.000 0.603 147 R N 1.098 121.176 120.500 -0.703 0.000 2.623 147 R HA 0.430 4.770 4.340 -0.000 0.000 0.271 147 R C 0.524 176.524 176.300 -0.500 0.000 1.043 147 R CA 0.638 56.146 56.100 -0.987 0.000 1.083 147 R CB 0.266 29.631 30.300 -1.558 0.000 0.974 147 R HN 0.510 nan 8.270 nan 0.000 0.436 148 G N 0.418 109.127 108.800 -0.151 0.000 2.766 148 G HA2 0.218 4.178 3.960 -0.000 0.000 0.288 148 G HA3 0.218 4.178 3.960 -0.000 0.000 0.288 148 G C -0.909 174.180 174.900 0.315 0.000 1.408 148 G CA -0.731 44.418 45.100 0.081 0.000 0.852 148 G HN 0.683 nan 8.290 nan 0.000 0.487 149 N N -0.643 118.175 118.700 0.197 0.000 2.553 149 N HA 0.200 4.940 4.740 -0.000 0.000 0.298 149 N C -0.575 175.003 175.510 0.113 0.000 1.596 149 N CA -0.398 52.761 53.050 0.182 0.000 0.910 149 N CB 0.895 39.463 38.487 0.135 0.000 1.336 149 N HN 0.225 nan 8.380 nan 0.000 0.497 150 T N 1.177 115.814 114.554 0.137 0.000 2.794 150 T HA 0.433 4.782 4.350 -0.000 0.000 0.280 150 T C 0.479 175.264 174.700 0.142 0.000 0.987 150 T CA -0.568 61.557 62.100 0.042 0.000 0.993 150 T CB 1.437 70.210 68.868 -0.157 0.000 0.939 150 T HN 0.122 nan 8.240 nan 0.000 0.449 151 L N 1.864 123.128 121.223 0.067 0.000 2.436 151 L HA 0.249 4.589 4.340 -0.000 0.000 0.265 151 L C 2.083 179.072 176.870 0.197 0.000 1.168 151 L CA -0.399 54.512 54.840 0.117 0.000 0.815 151 L CB 0.607 42.701 42.059 0.059 0.000 1.109 151 L HN 0.704 nan 8.230 nan 0.000 0.462 152 S N 1.345 117.183 115.700 0.230 0.000 2.372 152 S HA -0.258 4.212 4.470 -0.000 0.000 0.227 152 S C 2.051 176.801 174.600 0.251 0.000 1.044 152 S CA 2.049 60.426 58.200 0.296 0.000 1.050 152 S CB -0.215 63.105 63.200 0.200 0.000 0.901 152 S HN 0.712 nan 8.310 nan 0.000 0.447 153 R N 0.269 120.847 120.500 0.131 0.000 2.103 153 R HA -0.105 4.235 4.340 -0.000 0.000 0.242 153 R C 2.072 178.376 176.300 0.007 0.000 1.142 153 R CA 2.012 58.150 56.100 0.064 0.000 0.960 153 R CB -0.412 29.910 30.300 0.036 0.000 0.858 153 R HN 0.437 nan 8.270 nan 0.000 0.439 154 I N 0.408 120.959 120.570 -0.033 0.000 2.315 154 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 154 I C 1.859 177.862 176.117 -0.190 0.000 1.117 154 I CA 1.336 62.553 61.300 -0.139 0.000 1.404 154 I CB -1.255 36.613 38.000 -0.219 0.000 1.071 154 I HN 0.192 nan 8.210 nan 0.000 0.419 155 Y N 0.764 121.024 120.300 -0.066 0.000 2.181 155 Y HA -0.165 4.385 4.550 -0.000 0.000 0.288 155 Y C 2.713 178.295 175.900 -0.530 0.000 1.146 155 Y CA 1.161 59.175 58.100 -0.143 0.000 1.164 155 Y CB -1.065 37.416 38.460 0.036 0.000 0.982 155 Y HN -0.108 nan 8.280 nan 0.000 0.515 156 V N 0.123 119.815 119.914 -0.369 0.000 2.343 156 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 156 V C 1.966 177.858 176.094 -0.336 0.000 1.051 156 V CA 2.075 64.022 62.300 -0.588 0.000 1.036 156 V CB -0.578 31.142 31.823 -0.171 0.000 0.654 156 V HN 0.422 nan 8.190 nan 0.000 0.451 157 E N 0.437 120.530 120.200 -0.177 0.000 2.204 157 E HA -0.154 4.195 4.350 -0.000 0.000 0.195 157 E C 1.035 177.573 176.600 -0.103 0.000 0.990 157 E CA 0.997 57.332 56.400 -0.109 0.000 0.821 157 E CB -0.129 29.527 29.700 -0.073 0.000 0.750 157 E HN 0.582 nan 8.360 nan 0.000 0.477 158 N N 1.249 119.873 118.700 -0.128 0.000 2.279 158 N HA -0.006 4.734 4.740 -0.000 0.000 0.226 158 N C -0.832 174.644 175.510 -0.057 0.000 1.126 158 N CA 0.202 53.217 53.050 -0.059 0.000 0.846 158 N CB 0.645 39.125 38.487 -0.011 0.000 1.050 158 N HN 0.011 nan 8.380 nan 0.000 0.502 159 D N 0.586 120.893 120.400 -0.155 0.000 2.751 159 D HA -0.235 4.405 4.640 -0.000 0.000 0.233 159 D C -0.307 176.042 176.300 0.081 0.000 1.149 159 D CA 0.508 54.468 54.000 -0.066 0.000 0.682 159 D CB -1.598 39.224 40.800 0.036 0.000 1.068 159 D HN 0.363 nan 8.370 nan 0.000 0.429 160 F N -2.067 117.961 119.950 0.131 0.000 3.084 160 F HA -0.300 4.227 4.527 -0.000 0.000 0.286 160 F C 1.252 177.157 175.800 0.175 0.000 0.855 160 F CA 0.823 58.943 58.000 0.200 0.000 1.091 160 F CB -2.434 36.593 39.000 0.044 0.000 1.177 160 F HN 0.149 nan 8.300 nan 0.000 0.542 161 S N -1.660 114.183 115.700 0.239 0.000 2.580 161 S HA 0.374 4.844 4.470 -0.000 0.000 0.274 161 S C 0.137 174.927 174.600 0.317 0.000 1.329 161 S CA -0.073 58.194 58.200 0.112 0.000 1.036 161 S CB 0.500 63.748 63.200 0.080 0.000 0.919 161 S HN 0.476 nan 8.310 nan 0.000 0.515 162 W N -0.301 121.132 121.300 0.221 0.000 5.770 162 W HA -0.160 4.500 4.660 -0.000 0.000 0.389 162 W C -0.262 176.502 176.519 0.408 0.000 1.469 162 W CA 0.660 58.203 57.345 0.331 0.000 0.975 162 W CB -1.756 27.820 29.460 0.193 0.000 2.622 162 W HN 0.824 nan 8.180 nan 0.000 1.500 163 D N 1.052 121.747 120.400 0.493 0.000 2.441 163 D HA 0.192 4.832 4.640 -0.000 0.000 0.221 163 D C 0.815 177.059 176.300 -0.092 0.000 1.156 163 D CA -0.104 54.027 54.000 0.219 0.000 0.896 163 D CB 0.576 41.521 40.800 0.241 0.000 1.028 163 D HN 0.244 nan 8.370 nan 0.000 0.509 164 K N 2.527 122.817 120.400 -0.183 0.000 2.410 164 K HA 0.171 4.491 4.320 -0.000 0.000 0.200 164 K C 1.507 177.785 176.600 -0.536 0.000 1.023 164 K CA -0.212 55.849 56.287 -0.377 0.000 1.149 164 K CB 0.801 33.125 32.500 -0.294 0.000 0.859 164 K HN 0.213 nan 8.250 nan 0.000 0.514 165 R N 0.017 120.010 120.500 -0.845 0.000 2.189 165 R HA -0.107 4.233 4.340 -0.000 0.000 0.223 165 R C 0.472 176.245 176.300 -0.877 0.000 1.092 165 R CA 1.217 56.765 56.100 -0.920 0.000 0.989 165 R CB 0.018 29.621 30.300 -1.163 0.000 0.876 165 R HN 0.297 nan 8.270 nan 0.000 0.457 166 Y N -3.117 116.959 120.300 -0.373 0.000 2.682 166 Y HA 0.218 4.768 4.550 -0.000 0.000 0.251 166 Y C 1.604 177.293 175.900 -0.351 0.000 1.172 166 Y CA -1.274 56.596 58.100 -0.384 0.000 1.186 166 Y CB -0.784 37.299 38.460 -0.628 0.000 1.216 166 Y HN -0.085 nan 8.280 nan 0.000 0.540 167 c N 0.851 119.272 118.600 -0.298 0.000 2.375 167 c HA -0.297 4.273 4.570 -0.000 0.000 0.274 167 c C 1.427 175.408 174.090 -0.182 0.000 1.190 167 c CA 2.083 58.251 56.329 -0.269 0.000 1.775 167 c CB -0.841 41.474 42.510 -0.325 0.000 2.067 167 c HN 0.731 nan 8.230 nan 0.000 0.463 168 E N -0.787 119.313 120.200 -0.167 0.000 2.320 168 E HA -0.216 4.134 4.350 -0.000 0.000 0.234 168 E C 0.182 176.669 176.600 -0.187 0.000 1.183 168 E CA -0.009 56.297 56.400 -0.156 0.000 0.713 168 E CB -1.369 28.315 29.700 -0.026 0.000 1.226 168 E HN 0.793 nan 8.360 nan 0.000 0.382 169 A N 0.146 122.822 122.820 -0.240 0.000 2.565 169 A HA 0.366 4.686 4.320 -0.000 0.000 0.237 169 A C 1.688 179.133 177.584 -0.232 0.000 1.053 169 A CA 1.090 52.980 52.037 -0.246 0.000 0.755 169 A CB 0.110 18.913 19.000 -0.328 0.000 0.980 169 A HN 1.128 nan 8.150 nan 0.000 0.506 170 G N 0.957 109.649 108.800 -0.179 0.000 2.176 170 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.253 170 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.253 170 G C 0.698 175.485 174.900 -0.188 0.000 0.979 170 G CA 0.809 45.802 45.100 -0.177 0.000 0.641 170 G HN 1.290 nan 8.290 nan 0.000 0.530 171 F N 2.550 122.303 119.950 -0.328 0.000 2.120 171 F HA 0.081 4.608 4.527 -0.000 0.000 0.300 171 F C 1.710 177.350 175.800 -0.268 0.000 1.095 171 F CA 2.424 60.212 58.000 -0.353 0.000 1.249 171 F CB -0.006 38.799 39.000 -0.324 0.000 0.995 171 F HN 0.622 nan 8.300 nan 0.000 0.480 172 S N -0.910 114.824 115.700 0.057 0.000 2.570 172 S HA 0.706 5.176 4.470 -0.000 0.000 0.286 172 S C -0.623 173.932 174.600 -0.073 0.000 1.099 172 S CA -0.123 58.059 58.200 -0.029 0.000 0.913 172 S CB 1.928 65.133 63.200 0.008 0.000 1.085 172 S HN 0.414 nan 8.310 nan 0.000 0.480 173 S N 0.120 115.772 115.700 -0.081 0.000 2.541 173 S HA 0.851 5.321 4.470 -0.000 0.000 0.271 173 S C -1.171 173.390 174.600 -0.065 0.000 1.133 173 S CA -0.759 57.393 58.200 -0.080 0.000 0.876 173 S CB 1.305 64.461 63.200 -0.073 0.000 1.105 173 S HN 1.782 nan 8.310 nan 0.000 0.470 174 V N 1.361 121.232 119.914 -0.072 0.000 3.120 174 V HA 0.785 4.905 4.120 -0.000 0.000 0.303 174 V C -1.757 174.300 176.094 -0.061 0.000 1.238 174 V CA -0.543 61.729 62.300 -0.046 0.000 1.008 174 V CB 2.177 33.973 31.823 -0.045 0.000 1.064 174 V HN 1.080 nan 8.190 nan 0.000 0.434 175 V N 3.754 123.651 119.914 -0.028 0.000 2.540 175 V HA 0.584 4.704 4.120 -0.000 0.000 0.302 175 V C 0.422 176.481 176.094 -0.057 0.000 1.035 175 V CA -0.078 62.164 62.300 -0.098 0.000 0.873 175 V CB 1.970 33.729 31.823 -0.107 0.000 0.992 175 V HN 1.099 nan 8.190 nan 0.000 0.428 176 T N 0.772 115.263 114.554 -0.105 0.000 2.766 176 T HA 0.131 4.481 4.350 -0.000 0.000 0.295 176 T C 0.939 175.636 174.700 -0.005 0.000 1.024 176 T CA 0.094 62.187 62.100 -0.012 0.000 1.018 176 T CB 1.003 69.880 68.868 0.016 0.000 1.002 176 T HN 0.688 nan 8.240 nan 0.000 0.532 177 Q N 0.201 120.077 119.800 0.126 0.000 2.167 177 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 177 Q C 2.364 178.561 176.000 0.327 0.000 0.970 177 Q CA 1.233 57.208 55.803 0.285 0.000 0.855 177 Q CB -0.676 28.183 28.738 0.200 0.000 0.911 177 Q HN 0.908 nan 8.270 nan 0.000 0.438 178 A N -0.275 122.611 122.820 0.111 0.000 2.067 178 A HA 0.114 4.434 4.320 -0.000 0.000 0.219 178 A C 1.480 179.001 177.584 -0.106 0.000 1.158 178 A CA 1.200 53.281 52.037 0.073 0.000 0.661 178 A CB -0.438 18.568 19.000 0.011 0.000 0.801 178 A HN 0.622 nan 8.150 nan 0.000 0.452 179 G N -0.855 107.605 108.800 -0.566 0.000 2.151 179 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.156 179 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.156 179 G C -0.481 173.971 174.900 -0.746 0.000 1.017 179 G CA 0.031 44.287 45.100 -1.408 0.000 0.686 179 G HN 0.503 nan 8.290 nan 0.000 0.503 180 E N -0.056 119.877 120.200 -0.446 0.000 2.167 180 E HA 0.564 4.914 4.350 -0.000 0.000 0.284 180 E C 0.271 176.701 176.600 -0.282 0.000 1.016 180 E CA -0.699 55.530 56.400 -0.285 0.000 0.817 180 E CB 1.758 31.373 29.700 -0.142 0.000 1.080 180 E HN 0.305 nan 8.360 nan 0.000 0.397 181 L N 4.305 125.366 121.223 -0.270 0.000 2.331 181 L HA 0.290 4.630 4.340 -0.000 0.000 0.278 181 L C -1.136 175.632 176.870 -0.170 0.000 1.106 181 L CA -0.270 54.444 54.840 -0.210 0.000 0.824 181 L CB 0.918 42.856 42.059 -0.203 0.000 1.142 181 L HN 0.329 nan 8.230 nan 0.000 0.443 182 V N 6.744 126.558 119.914 -0.167 0.000 2.444 182 V HA 0.448 4.568 4.120 -0.000 0.000 0.294 182 V C -0.098 175.907 176.094 -0.148 0.000 1.022 182 V CA -0.607 61.571 62.300 -0.204 0.000 0.850 182 V CB 1.449 33.045 31.823 -0.377 0.000 0.992 182 V HN 0.611 nan 8.190 nan 0.000 0.426 183 L N 3.762 124.918 121.223 -0.111 0.000 2.334 183 L HA 0.771 5.111 4.340 -0.000 0.000 0.276 183 L C 0.778 177.570 176.870 -0.130 0.000 1.014 183 L CA -0.547 54.230 54.840 -0.106 0.000 0.815 183 L CB 1.861 43.868 42.059 -0.087 0.000 1.268 183 L HN 0.746 nan 8.230 nan 0.000 0.428 184 G N 1.383 110.112 108.800 -0.118 0.000 2.338 184 G HA2 0.568 4.528 3.960 -0.000 0.000 0.298 184 G HA3 0.568 4.528 3.960 -0.000 0.000 0.298 184 G C -0.453 174.385 174.900 -0.103 0.000 1.140 184 G CA -0.257 44.772 45.100 -0.118 0.000 0.860 184 G HN 0.718 nan 8.290 nan 0.000 0.470 185 A N 4.891 127.641 122.820 -0.117 0.000 2.893 185 A HA 0.655 4.975 4.320 -0.000 0.000 0.333 185 A C -1.464 176.058 177.584 -0.103 0.000 1.152 185 A CA -1.213 50.740 52.037 -0.140 0.000 0.782 185 A CB 1.536 20.420 19.000 -0.194 0.000 1.108 185 A HN 0.452 nan 8.150 nan 0.000 0.469 186 P HA -0.062 nan 4.420 nan 0.000 0.226 186 P C 1.357 178.740 177.300 0.139 0.000 1.153 186 P CA 1.547 64.635 63.100 -0.020 0.000 0.777 186 P CB 0.202 31.723 31.700 -0.299 0.000 0.794 187 G N -0.051 108.752 108.800 0.005 0.000 2.813 187 G HA2 0.092 4.052 3.960 -0.000 0.000 0.209 187 G HA3 0.092 4.052 3.960 -0.000 0.000 0.209 187 G C 0.918 175.685 174.900 -0.222 0.000 1.150 187 G CA 0.159 45.233 45.100 -0.043 0.000 0.785 187 G HN 0.413 nan 8.290 nan 0.000 0.535 188 G N -0.876 107.823 108.800 -0.168 0.000 2.484 188 G HA2 0.268 4.228 3.960 -0.000 0.000 0.235 188 G HA3 0.268 4.228 3.960 -0.000 0.000 0.235 188 G C -0.008 174.787 174.900 -0.175 0.000 1.282 188 G CA -0.307 44.603 45.100 -0.316 0.000 0.857 188 G HN 0.400 nan 8.290 nan 0.000 0.571 189 Y N -0.774 119.477 120.300 -0.081 0.000 3.078 189 Y HA -0.226 4.324 4.550 -0.000 0.000 0.202 189 Y C 0.747 176.673 175.900 0.044 0.000 1.322 189 Y CA 0.772 58.846 58.100 -0.045 0.000 1.118 189 Y CB -2.820 35.572 38.460 -0.112 0.000 1.343 189 Y HN 0.867 nan 8.280 nan 0.000 0.499 190 Y N -1.046 119.252 120.300 -0.004 0.000 3.078 190 Y HA -0.237 4.313 4.550 -0.000 0.000 0.202 190 Y C 0.759 176.654 175.900 -0.009 0.000 1.322 190 Y CA 1.032 59.093 58.100 -0.066 0.000 1.118 190 Y CB -1.792 36.666 38.460 -0.003 0.000 1.343 190 Y HN 0.461 nan 8.280 nan 0.000 0.499 191 F N -3.539 116.526 119.950 0.192 0.000 2.794 191 F HA -0.417 4.110 4.527 -0.000 0.000 0.335 191 F C 1.331 177.252 175.800 0.201 0.000 0.653 191 F CA 0.646 58.777 58.000 0.218 0.000 1.266 191 F CB -2.002 37.126 39.000 0.213 0.000 1.666 191 F HN 0.254 nan 8.300 nan 0.000 0.314 192 L N 0.063 121.461 121.223 0.292 0.000 1.994 192 L HA 0.276 4.616 4.340 -0.000 0.000 0.208 192 L C 1.660 178.750 176.870 0.368 0.000 1.071 192 L CA 2.344 57.359 54.840 0.292 0.000 0.745 192 L CB -0.868 41.335 42.059 0.241 0.000 0.892 192 L HN 0.614 nan 8.230 nan 0.000 0.431 193 G N -1.303 107.691 108.800 0.322 0.000 2.576 193 G HA2 0.293 4.253 3.960 -0.000 0.000 0.686 193 G HA3 0.293 4.253 3.960 -0.000 0.000 0.686 193 G C -1.531 173.601 174.900 0.386 0.000 1.242 193 G CA -0.466 44.851 45.100 0.361 0.000 0.819 193 G HN 0.540 nan 8.290 nan 0.000 0.655 194 L N -1.328 120.069 121.223 0.290 0.000 2.720 194 L HA 1.004 5.344 4.340 -0.000 0.000 0.261 194 L C -1.292 175.662 176.870 0.140 0.000 1.046 194 L CA -1.397 53.605 54.840 0.270 0.000 0.886 194 L CB 1.498 43.472 42.059 -0.141 0.000 1.493 194 L HN 0.820 nan 8.230 nan 0.000 0.407 195 L N 1.535 122.805 121.223 0.078 0.000 2.346 195 L HA 0.965 5.305 4.340 -0.000 0.000 0.274 195 L C -0.261 176.530 176.870 -0.132 0.000 1.007 195 L CA -0.225 54.566 54.840 -0.082 0.000 0.818 195 L CB 1.906 43.930 42.059 -0.059 0.000 1.284 195 L HN 1.020 nan 8.230 nan 0.000 0.424 196 A N 3.216 125.988 122.820 -0.080 0.000 2.330 196 A HA 0.716 5.036 4.320 -0.000 0.000 0.313 196 A C -1.059 176.561 177.584 0.060 0.000 1.124 196 A CA -0.494 51.534 52.037 -0.016 0.000 0.774 196 A CB 1.376 20.326 19.000 -0.084 0.000 1.198 196 A HN 0.550 nan 8.150 nan 0.000 0.465 197 Q N 1.454 121.317 119.800 0.105 0.000 2.306 197 Q HA 0.777 5.117 4.340 -0.000 0.000 0.265 197 Q C -1.244 174.747 176.000 -0.015 0.000 1.022 197 Q CA -0.455 55.362 55.803 0.024 0.000 0.853 197 Q CB 2.077 30.838 28.738 0.038 0.000 1.327 197 Q HN 1.383 nan 8.270 nan 0.000 0.449 198 A N 4.254 126.979 122.820 -0.159 0.000 2.565 198 A HA 0.557 4.877 4.320 -0.000 0.000 0.298 198 A C -2.803 174.612 177.584 -0.281 0.000 1.062 198 A CA -1.113 50.768 52.037 -0.261 0.000 0.723 198 A CB 1.456 20.124 19.000 -0.552 0.000 1.282 198 A HN 0.538 nan 8.150 nan 0.000 0.400 199 P HA 0.173 nan 4.420 nan 0.000 0.264 199 P C 1.240 178.429 177.300 -0.186 0.000 1.193 199 P CA 0.004 62.991 63.100 -0.189 0.000 0.763 199 P CB 0.762 32.396 31.700 -0.110 0.000 0.810 200 V N 3.852 123.641 119.914 -0.208 0.000 2.324 200 V HA -0.345 3.775 4.120 -0.000 0.000 0.250 200 V C 2.355 178.535 176.094 0.144 0.000 1.060 200 V CA 2.771 65.033 62.300 -0.063 0.000 1.042 200 V CB -1.549 30.256 31.823 -0.031 0.000 0.650 200 V HN 0.665 nan 8.190 nan 0.000 0.450 201 A N -0.018 122.869 122.820 0.112 0.000 1.883 201 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 201 A C 1.960 179.633 177.584 0.148 0.000 1.186 201 A CA 2.224 54.359 52.037 0.164 0.000 0.624 201 A CB -0.656 18.403 19.000 0.098 0.000 0.822 201 A HN 0.561 nan 8.150 nan 0.000 0.444 202 D N -0.257 120.180 120.400 0.062 0.000 2.224 202 D HA -0.034 4.606 4.640 -0.000 0.000 0.205 202 D C 1.811 178.155 176.300 0.074 0.000 0.965 202 D CA 0.681 54.715 54.000 0.058 0.000 0.852 202 D CB -0.282 40.526 40.800 0.013 0.000 0.947 202 D HN 0.540 nan 8.370 nan 0.000 0.494 203 I N -0.053 120.516 120.570 -0.001 0.000 2.142 203 I HA -0.268 3.902 4.170 -0.000 0.000 0.240 203 I C 2.017 178.164 176.117 0.049 0.000 1.078 203 I CA 0.871 62.155 61.300 -0.027 0.000 1.343 203 I CB -0.255 37.587 38.000 -0.264 0.000 1.046 203 I HN -0.102 nan 8.210 nan 0.000 0.405 204 F N 1.446 121.426 119.950 0.050 0.000 2.095 204 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 204 F C 2.998 178.842 175.800 0.074 0.000 1.104 204 F CA 2.057 60.097 58.000 0.067 0.000 1.232 204 F CB -0.708 38.325 39.000 0.056 0.000 0.987 204 F HN 0.148 nan 8.300 nan 0.000 0.475 205 S N -1.404 114.446 115.700 0.251 0.000 2.489 205 S HA -0.081 4.389 4.470 -0.000 0.000 0.228 205 S C 1.724 176.385 174.600 0.100 0.000 0.995 205 S CA 0.797 59.087 58.200 0.151 0.000 0.934 205 S CB -0.662 62.608 63.200 0.117 0.000 0.771 205 S HN 0.347 nan 8.310 nan 0.000 0.522 206 S N -0.892 114.879 115.700 0.118 0.000 2.524 206 S HA 0.263 4.733 4.470 -0.000 0.000 0.215 206 S C 0.111 174.602 174.600 -0.182 0.000 0.986 206 S CA -0.792 57.459 58.200 0.087 0.000 0.911 206 S CB -0.675 62.687 63.200 0.270 0.000 0.805 206 S HN 0.588 nan 8.310 nan 0.000 0.501 207 Y N 3.192 123.288 120.300 -0.340 0.000 2.335 207 Y HA 0.605 5.155 4.550 -0.000 0.000 0.331 207 Y C 0.088 175.691 175.900 -0.494 0.000 1.094 207 Y CA -0.622 57.038 58.100 -0.733 0.000 1.253 207 Y CB 0.490 38.652 38.460 -0.497 0.000 1.203 207 Y HN 0.023 nan 8.280 nan 0.000 0.508 208 R N 6.128 125.751 120.500 -1.462 0.000 2.725 208 R HA 0.408 4.748 4.340 -0.000 0.000 0.277 208 R C -2.980 172.494 176.300 -1.376 0.000 0.987 208 R CA -2.478 52.959 56.100 -1.105 0.000 0.901 208 R CB 1.400 31.374 30.300 -0.544 0.000 1.207 208 R HN 0.522 nan 8.270 nan 0.000 0.463 209 P HA 0.166 nan 4.420 nan 0.000 0.275 209 P C 0.621 177.779 177.300 -0.236 0.000 1.227 209 P CA 0.326 63.196 63.100 -0.383 0.000 0.781 209 P CB 0.725 32.373 31.700 -0.087 0.000 0.906 210 G N 2.351 111.082 108.800 -0.114 0.000 2.195 210 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.246 210 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.246 210 G C 0.835 175.717 174.900 -0.029 0.000 0.984 210 G CA 0.112 45.184 45.100 -0.045 0.000 0.633 210 G HN 0.432 nan 8.290 nan 0.000 0.525 211 I N 0.370 120.889 120.570 -0.086 0.000 2.235 211 I HA 0.106 4.276 4.170 -0.000 0.000 0.241 211 I C 2.715 178.927 176.117 0.158 0.000 1.085 211 I CA 2.165 63.463 61.300 -0.002 0.000 1.378 211 I CB -1.098 36.856 38.000 -0.076 0.000 1.076 211 I HN 0.521 nan 8.210 nan 0.000 0.415 212 L N -1.643 119.747 121.223 0.278 0.000 2.824 212 L HA -0.293 4.047 4.340 -0.000 0.000 0.395 212 L C 0.462 177.505 176.870 0.287 0.000 1.064 212 L CA 1.014 56.079 54.840 0.374 0.000 3.242 212 L CB -1.373 40.913 42.059 0.380 0.000 0.821 212 L HN 0.104 nan 8.230 nan 0.000 0.792 213 L N 0.484 121.840 121.223 0.223 0.000 2.295 213 L HA 0.439 4.779 4.340 -0.000 0.000 0.281 213 L C -0.582 176.317 176.870 0.047 0.000 1.018 213 L CA -0.323 54.517 54.840 -0.001 0.000 0.841 213 L CB 0.859 42.923 42.059 0.007 0.000 1.218 213 L HN 0.356 nan 8.230 nan 0.000 0.424 214 W N 2.828 123.994 121.300 -0.224 0.000 3.031 214 W HA 0.499 5.159 4.660 -0.000 0.000 0.337 214 W C -1.045 175.319 176.519 -0.260 0.000 1.187 214 W CA -0.866 56.332 57.345 -0.244 0.000 1.166 214 W CB 0.652 30.050 29.460 -0.103 0.000 1.437 214 W HN 0.182 nan 8.180 nan 0.000 0.551 215 H N 1.582 120.722 119.070 0.118 0.000 2.562 215 H HA 0.397 4.953 4.556 -0.000 0.000 0.314 215 H C -0.531 174.875 175.328 0.130 0.000 1.079 215 H CA -0.575 55.485 56.048 0.020 0.000 1.349 215 H CB 1.784 31.575 29.762 0.048 0.000 1.432 215 H HN 0.331 nan 8.280 nan 0.000 0.479 216 V N 3.932 123.933 119.914 0.146 0.000 2.259 216 V HA -0.033 4.087 4.120 -0.000 0.000 0.267 216 V C 1.568 177.726 176.094 0.106 0.000 1.051 216 V CA -0.186 62.217 62.300 0.170 0.000 0.830 216 V CB 0.617 32.532 31.823 0.153 0.000 1.080 216 V HN 0.892 nan 8.190 nan 0.000 0.467 217 S N 3.134 118.896 115.700 0.103 0.000 2.387 217 S HA -0.208 4.262 4.470 -0.000 0.000 0.230 217 S C 1.851 176.468 174.600 0.029 0.000 1.035 217 S CA 1.785 60.016 58.200 0.052 0.000 1.014 217 S CB -0.388 62.836 63.200 0.039 0.000 0.836 217 S HN 0.888 nan 8.310 nan 0.000 0.466 218 S N 1.418 117.133 115.700 0.023 0.000 2.603 218 S HA 0.070 4.540 4.470 -0.000 0.000 0.220 218 S C 0.765 175.360 174.600 -0.008 0.000 0.967 218 S CA -0.257 57.943 58.200 -0.000 0.000 0.920 218 S CB -0.739 62.454 63.200 -0.012 0.000 0.773 218 S HN 0.881 nan 8.310 nan 0.000 0.529 219 Q N 1.091 120.898 119.800 0.012 0.000 2.417 219 Q HA 0.483 4.823 4.340 -0.000 0.000 0.241 219 Q C -0.600 175.424 176.000 0.040 0.000 1.008 219 Q CA -0.344 55.476 55.803 0.028 0.000 0.901 219 Q CB 0.636 29.427 28.738 0.088 0.000 1.259 219 Q HN 0.119 nan 8.270 nan 0.000 0.489 220 S N 2.443 118.185 115.700 0.070 0.000 2.776 220 S HA 0.472 4.942 4.470 -0.000 0.000 0.284 220 S C -1.452 173.268 174.600 0.201 0.000 1.160 220 S CA -0.721 57.553 58.200 0.123 0.000 1.051 220 S CB 0.541 63.795 63.200 0.090 0.000 1.037 220 S HN 0.534 nan 8.310 nan 0.000 0.485 221 L N 3.866 125.129 121.223 0.066 0.000 2.344 221 L HA 0.610 4.950 4.340 -0.000 0.000 0.272 221 L C 1.006 177.584 176.870 -0.486 0.000 1.035 221 L CA -0.083 54.689 54.840 -0.114 0.000 0.807 221 L CB 1.787 43.803 42.059 -0.073 0.000 1.237 221 L HN 0.792 nan 8.230 nan 0.000 0.442 222 S N 0.710 115.891 115.700 -0.865 0.000 2.625 222 S HA 0.560 5.030 4.470 -0.000 0.000 0.258 222 S C -0.258 173.946 174.600 -0.660 0.000 1.256 222 S CA -0.366 57.141 58.200 -1.155 0.000 0.983 222 S CB 0.275 63.002 63.200 -0.789 0.000 1.032 222 S HN 0.205 nan 8.310 nan 0.000 0.572 223 F N -0.336 119.549 119.950 -0.109 0.000 2.556 223 F HA 0.507 5.034 4.527 -0.000 0.000 0.327 223 F C 0.574 175.868 175.800 -0.842 0.000 1.059 223 F CA -1.065 56.778 58.000 -0.261 0.000 0.953 223 F CB 0.969 39.878 39.000 -0.152 0.000 1.227 223 F HN 0.524 nan 8.300 nan 0.000 0.478 224 D N 0.300 119.890 120.400 -1.350 0.000 2.312 224 D HA 0.440 5.080 4.640 -0.000 0.000 0.248 224 D C -0.886 174.949 176.300 -0.774 0.000 1.086 224 D CA 0.194 53.289 54.000 -1.509 0.000 0.948 224 D CB 1.664 41.217 40.800 -2.078 0.000 1.162 224 D HN 0.451 nan 8.370 nan 0.000 0.446 225 S N -0.554 114.837 115.700 -0.514 0.000 2.556 225 S HA 0.426 4.896 4.470 -0.000 0.000 0.271 225 S C -0.517 174.040 174.600 -0.073 0.000 1.135 225 S CA -0.474 57.542 58.200 -0.305 0.000 0.858 225 S CB 0.942 63.918 63.200 -0.373 0.000 1.114 225 S HN 0.370 nan 8.310 nan 0.000 0.468 226 S N 2.345 118.032 115.700 -0.022 0.000 2.588 226 S HA 0.278 4.747 4.470 -0.000 0.000 0.245 226 S C -0.171 174.419 174.600 -0.016 0.000 1.021 226 S CA -0.557 57.726 58.200 0.138 0.000 1.006 226 S CB -0.507 62.735 63.200 0.071 0.000 0.830 226 S HN 0.575 nan 8.310 nan 0.000 0.468 227 N N 2.785 121.419 118.700 -0.109 0.000 2.420 227 N HA 0.384 5.124 4.740 -0.000 0.000 0.249 227 N C -2.038 173.095 175.510 -0.629 0.000 1.033 227 N CA -2.275 50.645 53.050 -0.216 0.000 0.944 227 N CB 1.384 39.873 38.487 0.004 0.000 1.113 227 N HN -0.036 nan 8.380 nan 0.000 0.502 228 P HA -0.137 nan 4.420 nan 0.000 0.218 228 P C 0.550 177.166 177.300 -1.140 0.000 1.146 228 P CA 1.210 63.471 63.100 -1.398 0.000 0.813 228 P CB 0.332 31.685 31.700 -0.578 0.000 0.778 229 E N -1.840 117.922 120.200 -0.731 0.000 2.160 229 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 229 E C 1.333 177.271 176.600 -1.103 0.000 0.991 229 E CA 1.058 56.891 56.400 -0.945 0.000 0.810 229 E CB -0.424 28.846 29.700 -0.715 0.000 0.742 229 E HN 0.433 nan 8.360 nan 0.000 0.466 230 Y N -0.674 119.318 120.300 -0.515 0.000 2.523 230 Y HA 0.080 4.630 4.550 -0.000 0.000 0.279 230 Y C 0.546 176.436 175.900 -0.018 0.000 1.139 230 Y CA -0.110 57.908 58.100 -0.135 0.000 1.296 230 Y CB 0.232 38.716 38.460 0.040 0.000 1.045 230 Y HN -0.103 nan 8.280 nan 0.000 0.538 231 F N 2.261 122.059 119.950 -0.254 0.000 2.578 231 F HA -0.092 4.435 4.527 -0.000 0.000 0.376 231 F C 0.632 176.257 175.800 -0.291 0.000 1.085 231 F CA -0.086 57.776 58.000 -0.229 0.000 1.260 231 F CB 0.335 39.149 39.000 -0.309 0.000 1.095 231 F HN 0.276 nan 8.300 nan 0.000 0.573 232 D N 2.257 122.651 120.400 -0.010 0.000 2.837 232 D HA -0.175 4.465 4.640 -0.000 0.000 0.230 232 D C 1.166 177.139 176.300 -0.545 0.000 1.152 232 D CA 0.827 54.673 54.000 -0.257 0.000 0.736 232 D CB -1.270 39.365 40.800 -0.274 0.000 1.084 232 D HN 0.865 nan 8.370 nan 0.000 0.429 233 G N -0.627 108.044 108.800 -0.215 0.000 2.683 233 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.213 233 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.213 233 G C 0.465 175.402 174.900 0.061 0.000 1.142 233 G CA -0.049 45.006 45.100 -0.074 0.000 0.793 233 G HN 0.322 nan 8.290 nan 0.000 0.534 234 Y N -2.479 117.968 120.300 0.246 0.000 3.389 234 Y HA -0.164 4.386 4.550 -0.000 0.000 0.213 234 Y C 0.480 176.523 175.900 0.238 0.000 1.272 234 Y CA -0.587 57.643 58.100 0.217 0.000 1.444 234 Y CB -2.551 36.027 38.460 0.198 0.000 1.445 234 Y HN 0.464 nan 8.280 nan 0.000 0.583 235 W N 1.892 123.334 121.300 0.236 0.000 2.692 235 W HA 0.422 5.082 4.660 -0.000 0.000 0.339 235 W C 1.113 177.693 176.519 0.103 0.000 1.415 235 W CA 1.561 59.012 57.345 0.176 0.000 1.389 235 W CB 0.080 29.682 29.460 0.237 0.000 1.492 235 W HN 0.627 nan 8.180 nan 0.000 0.545 236 G N 3.920 112.617 108.800 -0.171 0.000 2.183 236 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.168 236 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.168 236 G C 0.500 175.343 174.900 -0.094 0.000 1.008 236 G CA 0.010 44.987 45.100 -0.204 0.000 0.677 236 G HN 0.593 nan 8.290 nan 0.000 0.498 237 Y N 2.295 122.497 120.300 -0.163 0.000 2.165 237 Y HA 0.112 4.662 4.550 -0.000 0.000 0.286 237 Y C 1.840 177.756 175.900 0.026 0.000 1.155 237 Y CA 2.540 60.552 58.100 -0.147 0.000 1.164 237 Y CB 0.168 38.613 38.460 -0.025 0.000 0.978 237 Y HN 0.638 nan 8.280 nan 0.000 0.513 238 S N -1.126 114.650 115.700 0.127 0.000 2.634 238 S HA 0.684 5.154 4.470 -0.000 0.000 0.296 238 S C -1.196 173.346 174.600 -0.096 0.000 1.104 238 S CA -0.515 57.691 58.200 0.010 0.000 0.920 238 S CB 2.066 65.265 63.200 -0.002 0.000 1.111 238 S HN 0.083 nan 8.310 nan 0.000 0.493 239 V N -0.129 119.724 119.914 -0.101 0.000 3.120 239 V HA 0.925 5.045 4.120 -0.000 0.000 0.303 239 V C -1.042 175.002 176.094 -0.084 0.000 1.238 239 V CA 0.175 62.395 62.300 -0.134 0.000 1.008 239 V CB 1.711 33.435 31.823 -0.165 0.000 1.064 239 V HN 1.849 nan 8.190 nan 0.000 0.434 240 A N 3.496 126.282 122.820 -0.056 0.000 2.586 240 A HA 0.949 5.269 4.320 -0.000 0.000 0.290 240 A C -1.216 176.414 177.584 0.077 0.000 1.086 240 A CA 0.038 52.075 52.037 0.000 0.000 0.665 240 A CB 1.748 20.751 19.000 0.005 0.000 1.279 240 A HN 2.155 nan 8.150 nan 0.000 0.423 241 V N -1.972 118.008 119.914 0.110 0.000 2.962 241 V HA 1.065 5.185 4.120 -0.000 0.000 0.313 241 V C 0.011 176.210 176.094 0.174 0.000 1.099 241 V CA 0.358 62.776 62.300 0.198 0.000 0.971 241 V CB 1.306 33.247 31.823 0.196 0.000 1.028 241 V HN 2.479 nan 8.190 nan 0.000 0.430 242 G N 1.849 110.796 108.800 0.244 0.000 2.494 242 G HA2 0.570 4.530 3.960 -0.000 0.000 0.308 242 G HA3 0.570 4.530 3.960 -0.000 0.000 0.308 242 G C -1.814 173.190 174.900 0.173 0.000 1.263 242 G CA -0.253 44.959 45.100 0.188 0.000 0.840 242 G HN 1.096 nan 8.290 nan 0.000 0.479 243 E N -0.371 119.828 120.200 -0.001 0.000 2.186 243 E HA 0.687 5.037 4.350 -0.000 0.000 0.255 243 E C -1.185 175.170 176.600 -0.408 0.000 0.881 243 E CA -0.714 55.606 56.400 -0.135 0.000 0.752 243 E CB 0.818 30.409 29.700 -0.182 0.000 1.176 243 E HN 0.264 nan 8.360 nan 0.000 0.421 244 F N 2.055 122.069 119.950 0.107 0.000 2.856 244 F HA 0.203 4.730 4.527 -0.000 0.000 0.338 244 F C 0.710 176.586 175.800 0.128 0.000 1.100 244 F CA -0.257 57.821 58.000 0.129 0.000 1.150 244 F CB 0.979 40.080 39.000 0.168 0.000 1.101 244 F HN 0.410 nan 8.300 nan 0.000 0.548 245 D N -1.527 118.990 120.400 0.194 0.000 2.503 245 D HA 0.269 4.909 4.640 -0.000 0.000 0.218 245 D C 1.737 178.080 176.300 0.073 0.000 1.183 245 D CA 0.589 54.668 54.000 0.131 0.000 0.827 245 D CB 0.262 41.113 40.800 0.086 0.000 1.034 245 D HN 0.205 nan 8.370 nan 0.000 0.510 246 G N 0.804 109.631 108.800 0.045 0.000 2.304 246 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.252 246 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.252 246 G C -0.035 174.866 174.900 0.002 0.000 1.014 246 G CA 0.277 45.387 45.100 0.016 0.000 0.619 246 G HN 0.591 nan 8.290 nan 0.000 0.525 247 D N 0.921 121.326 120.400 0.008 0.000 2.411 247 D HA 0.507 5.147 4.640 -0.000 0.000 0.225 247 D C 1.778 178.076 176.300 -0.004 0.000 1.156 247 D CA -0.509 53.493 54.000 0.003 0.000 0.874 247 D CB 0.202 41.006 40.800 0.007 0.000 1.034 247 D HN 0.190 nan 8.370 nan 0.000 0.502 248 L N 3.283 124.499 121.223 -0.011 0.000 2.275 248 L HA -0.070 4.270 4.340 -0.000 0.000 0.215 248 L C 1.824 178.693 176.870 -0.002 0.000 1.119 248 L CA 0.453 55.285 54.840 -0.014 0.000 0.790 248 L CB -0.351 41.697 42.059 -0.020 0.000 0.919 248 L HN 0.384 nan 8.230 nan 0.000 0.443 249 N N -0.221 118.480 118.700 0.002 0.000 2.512 249 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 249 N C 0.467 175.982 175.510 0.007 0.000 1.073 249 N CA 0.795 53.849 53.050 0.007 0.000 0.911 249 N CB 0.218 38.711 38.487 0.009 0.000 0.964 249 N HN 0.353 nan 8.380 nan 0.000 0.447 250 T N -4.222 110.333 114.554 0.002 0.000 2.916 250 T HA 0.532 4.881 4.350 -0.000 0.000 0.292 250 T C -0.392 174.295 174.700 -0.023 0.000 1.055 250 T CA -0.851 61.244 62.100 -0.009 0.000 1.009 250 T CB 1.809 70.677 68.868 -0.001 0.000 1.118 250 T HN -0.185 nan 8.240 nan 0.000 0.497 251 T N 2.266 116.779 114.554 -0.069 0.000 2.823 251 T HA 0.579 4.929 4.350 -0.000 0.000 0.279 251 T C -0.724 173.854 174.700 -0.203 0.000 0.998 251 T CA -0.558 61.498 62.100 -0.074 0.000 0.994 251 T CB 1.465 70.314 68.868 -0.033 0.000 0.960 251 T HN 0.663 nan 8.240 nan 0.000 0.448 252 E N 1.534 121.702 120.200 -0.053 0.000 2.214 252 E HA 0.497 4.847 4.350 -0.000 0.000 0.274 252 E C -1.146 175.497 176.600 0.073 0.000 0.977 252 E CA -0.512 55.868 56.400 -0.033 0.000 0.827 252 E CB 0.701 30.540 29.700 0.232 0.000 1.130 252 E HN 0.430 nan 8.360 nan 0.000 0.394 253 Y N 0.349 120.710 120.300 0.102 0.000 2.341 253 Y HA 0.430 4.980 4.550 -0.000 0.000 0.337 253 Y C -0.185 175.729 175.900 0.024 0.000 1.014 253 Y CA -1.318 56.819 58.100 0.063 0.000 1.111 253 Y CB 1.101 39.597 38.460 0.060 0.000 1.194 253 Y HN 0.149 nan 8.280 nan 0.000 0.462 254 V N 4.766 124.768 119.914 0.148 0.000 2.350 254 V HA 0.474 4.594 4.120 -0.000 0.000 0.276 254 V C -0.339 175.691 176.094 -0.107 0.000 1.028 254 V CA -0.801 61.491 62.300 -0.014 0.000 0.860 254 V CB 1.170 32.974 31.823 -0.032 0.000 0.990 254 V HN 0.527 nan 8.190 nan 0.000 0.453 255 V N 3.764 123.557 119.914 -0.200 0.000 2.495 255 V HA 0.722 4.842 4.120 -0.000 0.000 0.298 255 V C 0.681 176.558 176.094 -0.361 0.000 1.031 255 V CA -0.468 61.578 62.300 -0.423 0.000 0.871 255 V CB 1.945 33.212 31.823 -0.927 0.000 0.988 255 V HN 0.914 nan 8.190 nan 0.000 0.432 256 G N 2.728 111.348 108.800 -0.300 0.000 2.322 256 G HA2 0.603 4.563 3.960 -0.000 0.000 0.309 256 G HA3 0.603 4.563 3.960 -0.000 0.000 0.309 256 G C -0.193 174.633 174.900 -0.123 0.000 1.121 256 G CA -0.149 44.841 45.100 -0.184 0.000 0.886 256 G HN 1.140 nan 8.290 nan 0.000 0.447 257 A N 4.927 127.728 122.820 -0.031 0.000 2.842 257 A HA 0.654 4.974 4.320 -0.000 0.000 0.339 257 A C -1.434 176.196 177.584 0.077 0.000 1.177 257 A CA -1.252 50.863 52.037 0.129 0.000 0.797 257 A CB 1.460 20.661 19.000 0.336 0.000 1.094 257 A HN 0.454 nan 8.150 nan 0.000 0.474 258 P HA -0.077 nan 4.420 nan 0.000 0.226 258 P C 0.952 178.018 177.300 -0.391 0.000 1.153 258 P CA 1.588 64.484 63.100 -0.341 0.000 0.777 258 P CB 0.065 31.253 31.700 -0.855 0.000 0.794 259 T N -6.988 107.423 114.554 -0.238 0.000 3.182 259 T HA 0.140 4.490 4.350 -0.000 0.000 0.277 259 T C -0.038 174.607 174.700 -0.091 0.000 1.013 259 T CA -0.793 61.193 62.100 -0.191 0.000 0.900 259 T CB -0.920 67.787 68.868 -0.268 0.000 1.098 259 T HN -0.056 nan 8.240 nan 0.000 0.543 260 W N 2.467 123.671 121.300 -0.161 0.000 2.209 260 W HA 0.386 5.046 4.660 -0.000 0.000 0.344 260 W C 0.718 177.139 176.519 -0.163 0.000 1.285 260 W CA 1.149 58.390 57.345 -0.172 0.000 1.267 260 W CB 0.249 29.632 29.460 -0.127 0.000 1.167 260 W HN 0.330 nan 8.180 nan 0.000 0.574 261 S N 6.508 121.540 115.700 -1.113 0.000 3.386 261 S HA -0.242 4.228 4.470 -0.000 0.000 0.403 261 S C -0.033 174.486 174.600 -0.133 0.000 0.893 261 S CA 0.806 58.464 58.200 -0.902 0.000 1.336 261 S CB -1.496 60.971 63.200 -1.223 0.000 0.925 261 S HN 0.943 nan 8.310 nan 0.000 0.589 262 W N 0.224 121.338 121.300 -0.310 0.000 6.111 262 W HA -0.330 4.330 4.660 -0.000 0.000 0.409 262 W C 1.234 177.689 176.519 -0.108 0.000 1.586 262 W CA 1.428 58.668 57.345 -0.175 0.000 1.027 262 W CB -3.038 26.327 29.460 -0.159 0.000 2.784 262 W HN 1.728 nan 8.180 nan 0.000 1.485 263 T N -4.481 110.078 114.554 0.008 0.000 5.221 263 T HA -0.373 3.977 4.350 -0.000 0.000 0.299 263 T C 0.739 175.487 174.700 0.080 0.000 1.489 263 T CA 1.422 63.544 62.100 0.036 0.000 2.593 263 T CB -1.692 67.225 68.868 0.082 0.000 1.859 263 T HN 0.403 nan 8.240 nan 0.000 0.982 264 L N 1.414 122.692 121.223 0.093 0.000 2.156 264 L HA 0.503 4.843 4.340 -0.000 0.000 0.208 264 L C 1.522 178.477 176.870 0.142 0.000 1.095 264 L CA 2.634 57.543 54.840 0.114 0.000 0.770 264 L CB -0.901 41.231 42.059 0.121 0.000 0.914 264 L HN 1.616 nan 8.230 nan 0.000 0.439 265 G N -1.092 107.831 108.800 0.204 0.000 2.716 265 G HA2 0.360 4.320 3.960 -0.000 0.000 0.686 265 G HA3 0.360 4.320 3.960 -0.000 0.000 0.686 265 G C -0.569 174.528 174.900 0.329 0.000 1.337 265 G CA -0.252 44.999 45.100 0.251 0.000 0.829 265 G HN 1.195 nan 8.290 nan 0.000 0.599 266 A N -0.330 122.675 122.820 0.308 0.000 2.601 266 A HA 0.964 5.284 4.320 -0.000 0.000 0.291 266 A C -0.820 176.808 177.584 0.074 0.000 1.075 266 A CA 0.116 52.219 52.037 0.110 0.000 0.671 266 A CB 1.839 20.514 19.000 -0.542 0.000 1.277 266 A HN 2.186 nan 8.150 nan 0.000 0.417 267 V N 0.967 120.896 119.914 0.026 0.000 2.709 267 V HA 0.557 4.676 4.120 -0.000 0.000 0.308 267 V C -0.545 175.459 176.094 -0.149 0.000 1.062 267 V CA -0.461 61.765 62.300 -0.124 0.000 0.901 267 V CB 1.857 33.545 31.823 -0.225 0.000 1.003 267 V HN 0.930 nan 8.190 nan 0.000 0.425 268 E N 3.814 123.947 120.200 -0.112 0.000 2.238 268 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 268 E C -1.312 175.262 176.600 -0.043 0.000 0.887 268 E CA -0.750 55.629 56.400 -0.036 0.000 0.769 268 E CB 3.017 32.811 29.700 0.157 0.000 1.187 268 E HN 0.521 nan 8.360 nan 0.000 0.416 269 I N 3.716 124.261 120.570 -0.041 0.000 2.354 269 I HA 0.349 4.519 4.170 -0.000 0.000 0.292 269 I C -0.625 175.516 176.117 0.040 0.000 0.989 269 I CA -0.439 60.832 61.300 -0.048 0.000 1.188 269 I CB 0.614 38.532 38.000 -0.137 0.000 1.342 269 I HN 0.240 nan 8.210 nan 0.000 0.457 270 L N 4.849 126.132 121.223 0.101 0.000 2.327 270 L HA 0.527 4.867 4.340 -0.000 0.000 0.258 270 L C -0.576 176.308 176.870 0.022 0.000 1.024 270 L CA -0.903 54.019 54.840 0.136 0.000 0.825 270 L CB 1.692 43.951 42.059 0.334 0.000 1.386 270 L HN 0.543 nan 8.230 nan 0.000 0.417 271 D N -1.243 119.153 120.400 -0.007 0.000 2.466 271 D HA 0.154 4.794 4.640 -0.000 0.000 0.262 271 D C 0.844 176.939 176.300 -0.341 0.000 1.177 271 D CA -0.240 53.684 54.000 -0.127 0.000 1.035 271 D CB 0.788 41.586 40.800 -0.003 0.000 1.105 271 D HN 0.494 nan 8.370 nan 0.000 0.551 272 S N -1.571 113.875 115.700 -0.424 0.000 2.507 272 S HA -0.144 4.326 4.470 -0.000 0.000 0.235 272 S C 1.187 175.461 174.600 -0.544 0.000 0.988 272 S CA 0.379 58.206 58.200 -0.622 0.000 0.944 272 S CB -0.758 62.172 63.200 -0.450 0.000 0.762 272 S HN 0.513 nan 8.310 nan 0.000 0.526 273 Y N 0.065 120.215 120.300 -0.250 0.000 2.466 273 Y HA 0.309 4.859 4.550 -0.000 0.000 0.272 273 Y C -0.101 175.894 175.900 0.159 0.000 1.169 273 Y CA -1.115 56.953 58.100 -0.054 0.000 1.285 273 Y CB -0.733 37.760 38.460 0.056 0.000 1.078 273 Y HN 0.175 nan 8.280 nan 0.000 0.523 274 Y N -1.498 119.015 120.300 0.354 0.000 4.490 274 Y HA -0.311 4.239 4.550 -0.000 0.000 0.233 274 Y C 0.300 176.399 175.900 0.331 0.000 1.101 274 Y CA -0.304 58.025 58.100 0.383 0.000 2.010 274 Y CB -2.588 36.108 38.460 0.394 0.000 1.622 274 Y HN 0.242 nan 8.280 nan 0.000 0.675 275 Q N 1.026 121.024 119.800 0.331 0.000 2.304 275 Q HA 0.224 4.563 4.340 -0.000 0.000 0.260 275 Q C 0.698 176.787 176.000 0.149 0.000 0.965 275 Q CA -0.575 55.343 55.803 0.192 0.000 0.898 275 Q CB 0.915 29.711 28.738 0.096 0.000 1.196 275 Q HN 0.300 nan 8.270 nan 0.000 0.402 276 R N 2.990 123.563 120.500 0.122 0.000 2.449 276 R HA 0.046 4.385 4.340 -0.000 0.000 0.296 276 R C 0.405 176.696 176.300 -0.014 0.000 1.047 276 R CA 0.180 56.334 56.100 0.090 0.000 1.018 276 R CB 0.341 30.699 30.300 0.097 0.000 0.962 276 R HN 0.712 nan 8.270 nan 0.000 0.428 277 L N 2.764 123.931 121.223 -0.092 0.000 2.362 277 L HA 0.214 4.554 4.340 -0.000 0.000 0.204 277 L C 0.139 176.674 176.870 -0.558 0.000 1.060 277 L CA 0.261 54.905 54.840 -0.326 0.000 0.827 277 L CB 0.152 41.984 42.059 -0.378 0.000 1.027 277 L HN 0.718 nan 8.230 nan 0.000 0.474 278 H N -1.429 117.621 119.070 -0.033 0.000 2.980 278 H HA 0.549 5.105 4.556 -0.000 0.000 0.367 278 H C -1.024 174.246 175.328 -0.097 0.000 1.206 278 H CA -0.783 55.220 56.048 -0.074 0.000 1.126 278 H CB 2.076 31.761 29.762 -0.129 0.000 1.838 278 H HN -0.178 nan 8.280 nan 0.000 0.552 279 R N 2.251 122.757 120.500 0.010 0.000 2.514 279 R HA 0.410 4.750 4.340 -0.000 0.000 0.296 279 R C -1.776 174.433 176.300 -0.151 0.000 1.012 279 R CA -0.658 55.375 56.100 -0.112 0.000 0.897 279 R CB 1.051 31.250 30.300 -0.169 0.000 1.184 279 R HN 0.556 nan 8.270 nan 0.000 0.440 280 L N 4.981 126.085 121.223 -0.198 0.000 2.282 280 L HA 0.567 4.907 4.340 -0.000 0.000 0.288 280 L C 0.255 177.031 176.870 -0.157 0.000 1.033 280 L CA -0.816 53.906 54.840 -0.196 0.000 0.807 280 L CB 1.542 43.404 42.059 -0.329 0.000 1.209 280 L HN 0.493 nan 8.230 nan 0.000 0.423 281 R N 1.327 121.682 120.500 -0.242 0.000 2.486 281 R HA 0.497 4.837 4.340 -0.000 0.000 0.286 281 R C 0.333 176.158 176.300 -0.792 0.000 0.999 281 R CA -0.662 55.248 56.100 -0.316 0.000 0.993 281 R CB 1.333 31.561 30.300 -0.120 0.000 1.084 281 R HN 0.781 nan 8.270 nan 0.000 0.487 282 G N 0.241 108.556 108.800 -0.808 0.000 2.544 282 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.242 282 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.242 282 G C 0.250 174.855 174.900 -0.492 0.000 1.247 282 G CA -0.276 44.186 45.100 -1.062 0.000 0.840 282 G HN 0.808 nan 8.290 nan 0.000 0.578 283 E N -0.349 119.642 120.200 -0.349 0.000 2.190 283 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 283 E C 0.832 177.500 176.600 0.115 0.000 0.978 283 E CA 0.430 56.811 56.400 -0.032 0.000 0.839 283 E CB 0.156 29.943 29.700 0.145 0.000 0.787 283 E HN 0.561 nan 8.360 nan 0.000 0.473 284 Q N 0.351 120.256 119.800 0.174 0.000 2.320 284 Q HA 0.252 4.592 4.340 -0.000 0.000 0.272 284 Q C -1.273 174.830 176.000 0.172 0.000 1.023 284 Q CA -0.547 55.377 55.803 0.201 0.000 0.855 284 Q CB 1.531 30.453 28.738 0.308 0.000 1.367 284 Q HN 0.027 nan 8.270 nan 0.000 0.406 285 M N 2.453 122.126 119.600 0.122 0.000 2.252 285 M HA 0.226 4.706 4.480 -0.000 0.000 0.333 285 M C 0.961 177.351 176.300 0.150 0.000 1.111 285 M CA 1.485 56.858 55.300 0.121 0.000 1.140 285 M CB 0.600 33.255 32.600 0.092 0.000 1.538 285 M HN 1.019 nan 8.290 nan 0.000 0.448 286 A N 0.660 123.583 122.820 0.173 0.000 3.153 286 A HA -0.211 4.109 4.320 -0.000 0.000 0.265 286 A C 1.488 179.249 177.584 0.295 0.000 1.212 286 A CA 1.391 53.565 52.037 0.228 0.000 1.018 286 A CB -2.582 16.525 19.000 0.179 0.000 1.130 286 A HN 1.026 nan 8.150 nan 0.000 0.873 287 S N -2.672 113.210 115.700 0.303 0.000 2.522 287 S HA 0.152 4.622 4.470 -0.000 0.000 0.227 287 S C 0.742 175.609 174.600 0.446 0.000 0.986 287 S CA 1.130 59.553 58.200 0.372 0.000 0.929 287 S CB -0.413 63.063 63.200 0.461 0.000 0.769 287 S HN 1.649 nan 8.310 nan 0.000 0.529 288 Y N -0.104 120.330 120.300 0.223 0.000 3.689 288 Y HA -0.230 4.320 4.550 -0.000 0.000 0.221 288 Y C 0.056 176.089 175.900 0.222 0.000 1.247 288 Y CA -0.012 58.198 58.100 0.183 0.000 1.671 288 Y CB -2.523 36.016 38.460 0.131 0.000 1.521 288 Y HN 0.555 nan 8.280 nan 0.000 0.632 289 F N 1.291 121.326 119.950 0.142 0.000 2.539 289 F HA 0.322 4.849 4.527 -0.000 0.000 0.393 289 F C 1.253 177.059 175.800 0.011 0.000 1.032 289 F CA 1.797 59.845 58.000 0.080 0.000 1.120 289 F CB 0.081 39.079 39.000 -0.004 0.000 1.014 289 F HN 0.380 nan 8.300 nan 0.000 0.546 290 G N 4.213 112.818 108.800 -0.325 0.000 2.205 290 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.180 290 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.180 290 G C 1.275 176.156 174.900 -0.031 0.000 1.004 290 G CA 0.139 45.096 45.100 -0.237 0.000 0.670 290 G HN 0.758 nan 8.290 nan 0.000 0.496 291 H N 0.883 119.961 119.070 0.014 0.000 2.387 291 H HA 0.085 4.640 4.556 -0.000 0.000 0.299 291 H C 0.508 175.916 175.328 0.134 0.000 1.099 291 H CA 2.109 58.263 56.048 0.176 0.000 1.315 291 H CB 0.239 30.153 29.762 0.254 0.000 1.380 291 H HN 0.392 nan 8.280 nan 0.000 0.513 292 S N -0.045 115.731 115.700 0.127 0.000 2.548 292 S HA 0.503 4.973 4.470 -0.000 0.000 0.286 292 S C -0.875 173.691 174.600 -0.057 0.000 1.098 292 S CA -0.440 57.775 58.200 0.026 0.000 0.930 292 S CB 2.858 66.096 63.200 0.064 0.000 1.070 292 S HN 0.285 nan 8.310 nan 0.000 0.480 293 V N -0.919 118.957 119.914 -0.064 0.000 2.777 293 V HA 1.015 5.135 4.120 -0.000 0.000 0.306 293 V C -0.660 175.410 176.094 -0.040 0.000 1.112 293 V CA -0.893 61.363 62.300 -0.073 0.000 0.917 293 V CB 0.975 32.738 31.823 -0.100 0.000 1.018 293 V HN 1.110 nan 8.190 nan 0.000 0.426 294 A N 3.647 126.458 122.820 -0.015 0.000 2.414 294 A HA 0.945 5.265 4.320 -0.000 0.000 0.306 294 A C -1.006 176.598 177.584 0.034 0.000 1.054 294 A CA -0.777 51.260 52.037 0.001 0.000 0.724 294 A CB 2.238 21.235 19.000 -0.004 0.000 1.267 294 A HN 1.438 nan 8.150 nan 0.000 0.418 295 V N 1.419 121.342 119.914 0.016 0.000 2.448 295 V HA 0.854 4.974 4.120 -0.000 0.000 0.295 295 V C 0.046 176.074 176.094 -0.110 0.000 1.025 295 V CA -0.068 62.235 62.300 0.006 0.000 0.859 295 V CB 1.411 33.226 31.823 -0.014 0.000 0.988 295 V HN 1.124 nan 8.190 nan 0.000 0.431 296 T N 2.400 116.925 114.554 -0.048 0.000 3.087 296 T HA 0.218 4.568 4.350 -0.000 0.000 0.351 296 T C -1.872 172.897 174.700 0.115 0.000 1.520 296 T CA -0.628 61.467 62.100 -0.009 0.000 1.111 296 T CB 1.591 70.476 68.868 0.029 0.000 1.353 296 T HN 0.784 nan 8.240 nan 0.000 0.481 297 D N 2.936 123.455 120.400 0.198 0.000 2.374 297 D HA 0.285 4.925 4.640 -0.000 0.000 0.240 297 D C 1.517 177.904 176.300 0.145 0.000 1.229 297 D CA -0.065 54.039 54.000 0.174 0.000 0.895 297 D CB 0.775 41.669 40.800 0.158 0.000 1.046 297 D HN 0.417 nan 8.370 nan 0.000 0.498 298 V N 1.897 121.888 119.914 0.129 0.000 3.471 298 V HA 0.111 4.231 4.120 -0.000 0.000 0.258 298 V C 1.047 177.222 176.094 0.134 0.000 1.192 298 V CA 0.578 62.953 62.300 0.125 0.000 1.116 298 V CB -0.450 31.422 31.823 0.082 0.000 0.792 298 V HN 0.558 nan 8.190 nan 0.000 0.459 299 N N 0.867 119.645 118.700 0.131 0.000 2.238 299 N HA 0.232 4.972 4.740 -0.000 0.000 0.222 299 N C 1.343 177.037 175.510 0.307 0.000 1.133 299 N CA 0.353 53.471 53.050 0.113 0.000 0.854 299 N CB 0.314 38.818 38.487 0.028 0.000 1.041 299 N HN 0.779 nan 8.380 nan 0.000 0.510 300 G N 1.841 110.847 108.800 0.344 0.000 2.187 300 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.261 300 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.261 300 G C 0.348 175.319 174.900 0.119 0.000 1.000 300 G CA 0.721 45.959 45.100 0.230 0.000 0.718 300 G HN 0.656 nan 8.290 nan 0.000 0.519 301 D N -0.807 119.653 120.400 0.100 0.000 2.349 301 D HA 0.337 4.977 4.640 -0.000 0.000 0.214 301 D C 1.793 178.100 176.300 0.013 0.000 1.063 301 D CA 0.660 54.692 54.000 0.053 0.000 0.847 301 D CB -0.478 40.354 40.800 0.053 0.000 0.933 301 D HN 1.476 nan 8.370 nan 0.000 0.513 302 G N 0.706 109.507 108.800 0.002 0.000 2.199 302 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.254 302 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.254 302 G C 0.240 175.075 174.900 -0.109 0.000 0.982 302 G CA -0.150 44.920 45.100 -0.050 0.000 0.632 302 G HN 0.413 nan 8.290 nan 0.000 0.529 303 R N 0.686 121.146 120.500 -0.065 0.000 2.265 303 R HA 0.406 4.746 4.340 -0.000 0.000 0.319 303 R C -0.087 176.182 176.300 -0.051 0.000 1.006 303 R CA -0.678 55.364 56.100 -0.098 0.000 0.880 303 R CB 0.578 30.864 30.300 -0.022 0.000 1.077 303 R HN 0.553 nan 8.270 nan 0.000 0.454 304 H N 1.532 120.493 119.070 -0.182 0.000 3.001 304 H HA -0.024 4.532 4.556 -0.000 0.000 0.334 304 H C -0.170 175.125 175.328 -0.054 0.000 1.034 304 H CA 0.091 56.015 56.048 -0.207 0.000 1.420 304 H CB 0.692 30.159 29.762 -0.492 0.000 1.405 304 H HN 0.402 nan 8.280 nan 0.000 0.593 305 D N 2.030 122.565 120.400 0.224 0.000 2.326 305 D HA 0.210 4.850 4.640 -0.000 0.000 0.251 305 D C -0.535 175.976 176.300 0.351 0.000 1.023 305 D CA -0.688 53.483 54.000 0.285 0.000 0.966 305 D CB 2.215 43.129 40.800 0.191 0.000 1.156 305 D HN 0.109 nan 8.370 nan 0.000 0.494 306 L N 0.872 122.312 121.223 0.361 0.000 2.322 306 L HA 0.479 4.819 4.340 -0.000 0.000 0.281 306 L C -1.516 175.512 176.870 0.263 0.000 1.014 306 L CA -0.483 54.520 54.840 0.272 0.000 0.815 306 L CB 1.139 43.256 42.059 0.096 0.000 1.247 306 L HN 0.276 nan 8.230 nan 0.000 0.421 307 L N 5.747 127.067 121.223 0.162 0.000 2.349 307 L HA 0.678 5.018 4.340 -0.000 0.000 0.278 307 L C -0.908 176.005 176.870 0.072 0.000 0.996 307 L CA -0.646 54.275 54.840 0.134 0.000 0.825 307 L CB 2.028 44.120 42.059 0.056 0.000 1.243 307 L HN 0.358 nan 8.230 nan 0.000 0.412 308 V N 1.677 121.657 119.914 0.110 0.000 2.628 308 V HA 0.748 4.868 4.120 -0.000 0.000 0.306 308 V C 0.324 176.425 176.094 0.012 0.000 1.045 308 V CA -0.585 61.669 62.300 -0.077 0.000 0.905 308 V CB 1.941 33.543 31.823 -0.367 0.000 0.997 308 V HN 0.811 nan 8.190 nan 0.000 0.436 309 G N 2.006 110.773 108.800 -0.055 0.000 2.470 309 G HA2 0.658 4.618 3.960 -0.000 0.000 0.320 309 G HA3 0.658 4.618 3.960 -0.000 0.000 0.320 309 G C -0.575 174.400 174.900 0.125 0.000 1.245 309 G CA -0.345 44.791 45.100 0.060 0.000 0.935 309 G HN 1.116 nan 8.290 nan 0.000 0.476 310 A N 4.566 127.554 122.820 0.280 0.000 2.664 310 A HA 0.687 5.007 4.320 -0.000 0.000 0.338 310 A C -1.482 176.301 177.584 0.331 0.000 1.280 310 A CA -1.383 50.878 52.037 0.374 0.000 0.809 310 A CB 1.525 20.884 19.000 0.599 0.000 1.114 310 A HN 0.434 nan 8.150 nan 0.000 0.479 311 P HA -0.051 nan 4.420 nan 0.000 0.229 311 P C 0.688 178.116 177.300 0.213 0.000 1.160 311 P CA 0.793 63.989 63.100 0.160 0.000 0.777 311 P CB 0.261 31.937 31.700 -0.040 0.000 0.814 312 L N -1.790 119.580 121.223 0.245 0.000 2.741 312 L HA 0.228 4.568 4.340 -0.000 0.000 0.237 312 L C 0.756 177.781 176.870 0.257 0.000 1.178 312 L CA -0.878 54.100 54.840 0.230 0.000 0.973 312 L CB -0.635 41.544 42.059 0.199 0.000 1.255 312 L HN -0.090 nan 8.230 nan 0.000 0.498 313 Y N 2.045 122.467 120.300 0.202 0.000 2.620 313 Y HA 0.099 4.649 4.550 -0.000 0.000 0.330 313 Y C 0.328 176.302 175.900 0.125 0.000 1.186 313 Y CA 0.232 58.444 58.100 0.187 0.000 1.467 313 Y CB 0.438 39.032 38.460 0.222 0.000 1.262 313 Y HN 0.045 nan 8.280 nan 0.000 0.550 314 M N 6.563 125.772 119.600 -0.652 0.000 2.129 314 M HA 0.216 4.695 4.480 -0.000 0.000 0.348 314 M C -0.430 175.430 176.300 -0.734 0.000 1.116 314 M CA -0.288 54.718 55.300 -0.490 0.000 1.022 314 M CB 1.276 33.715 32.600 -0.269 0.000 1.599 314 M HN 0.684 nan 8.290 nan 0.000 0.449 315 E N 1.695 121.708 120.200 -0.312 0.000 2.313 315 E HA 0.277 4.626 4.350 -0.000 0.000 0.272 315 E C -0.755 175.795 176.600 -0.082 0.000 1.038 315 E CA -0.289 56.054 56.400 -0.094 0.000 0.863 315 E CB 1.182 30.908 29.700 0.043 0.000 1.060 315 E HN 0.590 nan 8.360 nan 0.000 0.402 316 S N 2.859 118.545 115.700 -0.024 0.000 2.565 316 S HA 0.384 4.854 4.470 -0.000 0.000 0.276 316 S C -0.103 174.490 174.600 -0.013 0.000 1.326 316 S CA -0.409 57.779 58.200 -0.020 0.000 1.045 316 S CB 0.864 64.067 63.200 0.005 0.000 0.918 316 S HN 0.416 nan 8.310 nan 0.000 0.505 317 R N 0.249 120.738 120.500 -0.018 0.000 2.831 317 R HA 0.639 4.979 4.340 -0.000 0.000 0.266 317 R C -0.731 175.562 176.300 -0.012 0.000 1.051 317 R CA -1.133 54.958 56.100 -0.016 0.000 0.943 317 R CB 1.062 31.348 30.300 -0.024 0.000 1.228 317 R HN 0.666 nan 8.270 nan 0.000 0.467 318 A N 1.122 123.936 122.820 -0.010 0.000 2.587 318 A HA 0.073 4.393 4.320 -0.000 0.000 0.235 318 A C -0.426 177.154 177.584 -0.008 0.000 1.044 318 A CA 0.740 52.772 52.037 -0.007 0.000 0.754 318 A CB -0.393 18.603 19.000 -0.007 0.000 0.968 318 A HN 0.791 nan 8.150 nan 0.000 0.509 319 D N 0.425 120.822 120.400 -0.005 0.000 2.716 319 D HA -0.184 4.456 4.640 -0.000 0.000 0.239 319 D C 0.426 176.722 176.300 -0.006 0.000 1.125 319 D CA 1.508 55.505 54.000 -0.005 0.000 0.681 319 D CB -1.317 39.481 40.800 -0.004 0.000 1.070 319 D HN 0.838 nan 8.370 nan 0.000 0.432 320 R N -2.272 118.224 120.500 -0.007 0.000 3.758 320 R HA -0.259 4.081 4.340 -0.000 0.000 0.299 320 R C -0.162 176.130 176.300 -0.012 0.000 1.182 320 R CA 1.161 57.257 56.100 -0.008 0.000 0.809 320 R CB -1.371 28.926 30.300 -0.006 0.000 1.249 320 R HN 0.388 nan 8.270 nan 0.000 0.497 321 K N 0.953 121.343 120.400 -0.016 0.000 2.130 321 K HA 0.477 4.797 4.320 -0.000 0.000 0.268 321 K C 0.118 176.697 176.600 -0.034 0.000 0.983 321 K CA -0.543 55.731 56.287 -0.021 0.000 0.893 321 K CB 1.183 33.671 32.500 -0.019 0.000 1.066 321 K HN -0.022 nan 8.250 nan 0.000 0.450 322 L N 1.528 122.725 121.223 -0.043 0.000 2.331 322 L HA 0.622 4.962 4.340 -0.000 0.000 0.275 322 L C -0.412 176.409 176.870 -0.081 0.000 1.022 322 L CA -0.786 54.013 54.840 -0.069 0.000 0.812 322 L CB 1.830 43.844 42.059 -0.073 0.000 1.257 322 L HN 0.682 nan 8.230 nan 0.000 0.435 323 A N 1.808 124.564 122.820 -0.107 0.000 2.411 323 A HA 0.301 4.621 4.320 -0.000 0.000 0.285 323 A C -0.580 176.921 177.584 -0.139 0.000 1.129 323 A CA -0.512 51.446 52.037 -0.132 0.000 0.736 323 A CB 0.921 19.855 19.000 -0.111 0.000 1.186 323 A HN 0.722 nan 8.150 nan 0.000 0.445 324 E N 2.241 122.343 120.200 -0.162 0.000 2.292 324 E HA 0.230 4.580 4.350 -0.000 0.000 0.265 324 E C 0.599 177.165 176.600 -0.056 0.000 1.093 324 E CA 0.489 56.842 56.400 -0.079 0.000 0.922 324 E CB 0.459 30.161 29.700 0.003 0.000 1.001 324 E HN 0.771 nan 8.360 nan 0.000 0.444 325 V N 1.367 121.310 119.914 0.048 0.000 3.431 325 V HA 0.455 4.575 4.120 -0.000 0.000 0.255 325 V C 0.651 176.876 176.094 0.217 0.000 1.403 325 V CA 0.432 62.789 62.300 0.096 0.000 1.101 325 V CB 0.029 31.880 31.823 0.045 0.000 0.891 325 V HN 0.801 nan 8.190 nan 0.000 0.446 326 G N 0.743 109.720 108.800 0.295 0.000 2.675 326 G HA2 0.058 4.018 3.960 -0.000 0.000 0.686 326 G HA3 0.058 4.018 3.960 -0.000 0.000 0.686 326 G C -0.722 174.426 174.900 0.415 0.000 1.215 326 G CA -0.148 45.180 45.100 0.381 0.000 0.777 326 G HN 0.877 nan 8.290 nan 0.000 0.638 327 R N -0.282 120.438 120.500 0.366 0.000 2.626 327 R HA 0.692 5.032 4.340 -0.000 0.000 0.274 327 R C -1.136 175.242 176.300 0.129 0.000 1.031 327 R CA -0.819 55.369 56.100 0.146 0.000 0.898 327 R CB 2.192 32.286 30.300 -0.342 0.000 1.222 327 R HN 0.782 nan 8.270 nan 0.000 0.455 328 V N 4.368 124.319 119.914 0.062 0.000 2.459 328 V HA 0.463 4.583 4.120 -0.000 0.000 0.295 328 V C -1.232 174.764 176.094 -0.164 0.000 1.029 328 V CA -0.616 61.686 62.300 0.003 0.000 0.874 328 V CB 1.544 33.330 31.823 -0.062 0.000 0.985 328 V HN 0.625 nan 8.190 nan 0.000 0.438 329 Y N 4.667 124.975 120.300 0.013 0.000 2.331 329 Y HA 0.634 5.184 4.550 -0.000 0.000 0.338 329 Y C -0.148 175.699 175.900 -0.087 0.000 0.992 329 Y CA -0.892 57.181 58.100 -0.044 0.000 1.121 329 Y CB 1.642 40.201 38.460 0.165 0.000 1.184 329 Y HN 0.509 nan 8.280 nan 0.000 0.469 330 L N 4.601 125.742 121.223 -0.136 0.000 2.295 330 L HA 0.631 4.971 4.340 -0.000 0.000 0.285 330 L C -1.750 174.941 176.870 -0.299 0.000 1.035 330 L CA -0.760 54.023 54.840 -0.096 0.000 0.806 330 L CB 0.176 42.178 42.059 -0.095 0.000 1.214 330 L HN 0.407 nan 8.230 nan 0.000 0.426 331 F N 5.838 125.833 119.950 0.074 0.000 2.500 331 F HA 0.452 4.979 4.527 -0.000 0.000 0.349 331 F C -0.385 175.464 175.800 0.082 0.000 1.127 331 F CA -0.578 57.462 58.000 0.068 0.000 0.998 331 F CB 1.094 40.123 39.000 0.049 0.000 1.237 331 F HN 0.241 nan 8.300 nan 0.000 0.439 332 L N 3.234 124.566 121.223 0.181 0.000 2.367 332 L HA 0.267 4.607 4.340 -0.000 0.000 0.275 332 L C 0.431 177.403 176.870 0.170 0.000 1.129 332 L CA -0.316 54.615 54.840 0.151 0.000 0.839 332 L CB 0.819 42.927 42.059 0.081 0.000 1.133 332 L HN 0.605 nan 8.230 nan 0.000 0.453 333 Q N 5.677 125.588 119.800 0.185 0.000 2.296 333 Q HA 0.256 4.596 4.340 -0.000 0.000 0.262 333 Q C -2.170 173.898 176.000 0.113 0.000 0.981 333 Q CA -1.543 54.367 55.803 0.178 0.000 0.905 333 Q CB 1.176 30.046 28.738 0.220 0.000 1.186 333 Q HN 0.332 nan 8.270 nan 0.000 0.399 334 P HA 0.153 nan 4.420 nan 0.000 0.289 334 P C -1.051 176.287 177.300 0.064 0.000 1.299 334 P CA -0.458 62.678 63.100 0.059 0.000 0.766 334 P CB 0.768 32.495 31.700 0.045 0.000 1.226 335 R N -0.820 119.693 120.500 0.022 0.000 2.531 335 R HA 0.463 4.803 4.340 -0.000 0.000 0.273 335 R C 0.639 177.005 176.300 0.111 0.000 1.070 335 R CA 0.745 56.868 56.100 0.038 0.000 1.112 335 R CB -0.238 30.062 30.300 0.001 0.000 1.049 335 R HN 0.853 nan 8.270 nan 0.000 0.508 336 G N 3.430 112.310 108.800 0.133 0.000 2.645 336 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.239 336 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.239 336 G C -2.254 172.783 174.900 0.228 0.000 1.331 336 G CA -0.303 44.913 45.100 0.193 0.000 0.890 336 G HN 0.605 nan 8.290 nan 0.000 0.572 337 P HA 0.383 nan 4.420 nan 0.000 0.231 337 P C -0.773 176.471 177.300 -0.094 0.000 1.811 337 P CA 0.295 63.426 63.100 0.052 0.000 1.051 337 P CB -0.276 31.408 31.700 -0.026 0.000 1.951 338 H N 0.394 119.525 119.070 0.103 0.000 2.679 338 H HA 0.580 5.135 4.556 -0.000 0.000 0.360 338 H C 0.148 175.546 175.328 0.116 0.000 1.105 338 H CA -0.571 55.534 56.048 0.096 0.000 1.196 338 H CB 1.893 31.695 29.762 0.067 0.000 1.636 338 H HN 0.295 nan 8.280 nan 0.000 0.531 339 A N 2.255 125.196 122.820 0.202 0.000 2.429 339 A HA 0.243 4.563 4.320 -0.000 0.000 0.242 339 A C -0.452 177.107 177.584 -0.041 0.000 1.088 339 A CA -0.359 51.745 52.037 0.111 0.000 0.784 339 A CB 0.088 19.180 19.000 0.153 0.000 1.038 339 A HN 0.533 nan 8.150 nan 0.000 0.501 340 L N 2.238 123.279 121.223 -0.303 0.000 2.385 340 L HA 0.362 4.702 4.340 -0.000 0.000 0.281 340 L C 1.292 178.173 176.870 0.018 0.000 1.106 340 L CA 1.084 55.841 54.840 -0.138 0.000 0.856 340 L CB 0.065 41.952 42.059 -0.287 0.000 1.186 340 L HN 0.887 nan 8.230 nan 0.000 0.453 341 G N 2.326 111.194 108.800 0.115 0.000 2.580 341 G HA2 0.498 4.458 3.960 -0.000 0.000 0.225 341 G HA3 0.498 4.458 3.960 -0.000 0.000 0.225 341 G C 0.045 175.085 174.900 0.234 0.000 1.521 341 G CA 0.017 45.199 45.100 0.136 0.000 1.068 341 G HN 0.820 nan 8.290 nan 0.000 0.564 342 A N -0.066 122.850 122.820 0.160 0.000 2.366 342 A HA 0.572 4.892 4.320 -0.000 0.000 0.250 342 A C -2.103 175.492 177.584 0.019 0.000 1.099 342 A CA -0.653 51.470 52.037 0.142 0.000 0.794 342 A CB -0.349 18.690 19.000 0.065 0.000 1.056 342 A HN 0.414 nan 8.150 nan 0.000 0.499 343 P HA 0.214 nan 4.420 nan 0.000 0.271 343 P C 0.316 177.450 177.300 -0.277 0.000 1.216 343 P CA 0.006 62.747 63.100 -0.597 0.000 0.771 343 P CB 0.955 32.349 31.700 -0.510 0.000 0.864 344 S N 1.499 117.050 115.700 -0.248 0.000 2.453 344 S HA 0.044 4.514 4.470 -0.000 0.000 0.231 344 S C 0.550 175.074 174.600 -0.128 0.000 1.005 344 S CA 0.649 58.773 58.200 -0.126 0.000 0.949 344 S CB -0.362 62.794 63.200 -0.073 0.000 0.774 344 S HN 0.408 nan 8.310 nan 0.000 0.510 345 L N 0.340 121.457 121.223 -0.176 0.000 2.545 345 L HA 0.486 4.826 4.340 -0.000 0.000 0.258 345 L C -2.128 174.616 176.870 -0.210 0.000 0.942 345 L CA -0.447 54.298 54.840 -0.158 0.000 0.855 345 L CB 1.377 43.358 42.059 -0.129 0.000 1.374 345 L HN -0.013 nan 8.230 nan 0.000 0.411 346 L N 5.319 126.415 121.223 -0.212 0.000 2.305 346 L HA 0.583 4.923 4.340 -0.000 0.000 0.284 346 L C -0.948 175.774 176.870 -0.245 0.000 1.013 346 L CA -0.551 54.106 54.840 -0.305 0.000 0.819 346 L CB 1.563 43.427 42.059 -0.325 0.000 1.227 346 L HN 0.470 nan 8.230 nan 0.000 0.417 347 L N 3.273 124.354 121.223 -0.236 0.000 2.296 347 L HA 0.602 4.942 4.340 -0.000 0.000 0.286 347 L C -0.268 176.506 176.870 -0.159 0.000 1.023 347 L CA -0.272 54.476 54.840 -0.154 0.000 0.812 347 L CB 1.895 43.902 42.059 -0.087 0.000 1.223 347 L HN 0.566 nan 8.230 nan 0.000 0.421 348 T N 1.143 115.495 114.554 -0.337 0.000 2.841 348 T HA 0.470 4.820 4.350 -0.000 0.000 0.283 348 T C 0.400 174.691 174.700 -0.682 0.000 1.000 348 T CA -0.606 61.283 62.100 -0.351 0.000 0.977 348 T CB 1.878 70.652 68.868 -0.157 0.000 0.979 348 T HN 0.703 nan 8.240 nan 0.000 0.446 349 G N 0.805 109.239 108.800 -0.610 0.000 2.664 349 G HA2 0.374 4.334 3.960 -0.000 0.000 0.242 349 G HA3 0.374 4.334 3.960 -0.000 0.000 0.242 349 G C 0.950 175.728 174.900 -0.203 0.000 1.225 349 G CA 0.063 44.879 45.100 -0.474 0.000 0.849 349 G HN 0.831 nan 8.290 nan 0.000 0.581 350 T N -2.812 111.673 114.554 -0.114 0.000 2.955 350 T HA 0.199 4.548 4.350 -0.000 0.000 0.251 350 T C 0.799 175.492 174.700 -0.011 0.000 1.002 350 T CA 0.037 62.103 62.100 -0.056 0.000 0.970 350 T CB 0.301 69.140 68.868 -0.048 0.000 1.091 350 T HN 0.406 nan 8.240 nan 0.000 0.495 351 Q N 1.547 121.363 119.800 0.028 0.000 2.257 351 Q HA 0.569 4.909 4.340 -0.000 0.000 0.255 351 Q C -0.794 175.222 176.000 0.027 0.000 0.920 351 Q CA -0.972 54.859 55.803 0.047 0.000 0.927 351 Q CB 1.162 29.961 28.738 0.102 0.000 1.229 351 Q HN 0.371 nan 8.270 nan 0.000 0.433 352 L N 5.322 126.521 121.223 -0.041 0.000 2.499 352 L HA 0.031 4.371 4.340 -0.000 0.000 0.273 352 L C -0.652 176.160 176.870 -0.097 0.000 1.195 352 L CA 1.039 55.752 54.840 -0.212 0.000 0.882 352 L CB -0.358 41.502 42.059 -0.331 0.000 1.133 352 L HN 0.805 nan 8.230 nan 0.000 0.483 353 Y N 1.638 121.986 120.300 0.080 0.000 4.604 353 Y HA -0.245 4.305 4.550 -0.000 0.000 0.230 353 Y C 1.679 177.673 175.900 0.156 0.000 1.066 353 Y CA 0.936 59.085 58.100 0.082 0.000 1.990 353 Y CB -2.223 36.254 38.460 0.028 0.000 1.619 353 Y HN 0.690 nan 8.280 nan 0.000 0.649 354 G N -0.113 108.853 108.800 0.276 0.000 2.511 354 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.217 354 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.217 354 G C 0.888 175.995 174.900 0.345 0.000 1.133 354 G CA 0.383 45.671 45.100 0.315 0.000 0.792 354 G HN 0.461 nan 8.290 nan 0.000 0.539 355 R N -1.435 119.250 120.500 0.309 0.000 3.336 355 R HA -0.188 4.152 4.340 -0.000 0.000 0.260 355 R C -0.223 176.222 176.300 0.241 0.000 1.032 355 R CA 0.189 56.449 56.100 0.266 0.000 0.693 355 R CB -2.462 28.006 30.300 0.281 0.000 1.134 355 R HN 0.379 nan 8.270 nan 0.000 0.433 356 F N 1.050 121.079 119.950 0.130 0.000 2.608 356 F HA 0.211 4.738 4.527 -0.000 0.000 0.380 356 F C 1.584 177.436 175.800 0.087 0.000 1.083 356 F CA 1.875 59.939 58.000 0.108 0.000 1.266 356 F CB 0.625 39.688 39.000 0.105 0.000 1.076 356 F HN 0.417 nan 8.300 nan 0.000 0.574 357 G N 3.290 111.767 108.800 -0.538 0.000 2.132 357 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.234 357 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.234 357 G C 1.034 175.867 174.900 -0.111 0.000 0.989 357 G CA 0.518 45.418 45.100 -0.334 0.000 0.676 357 G HN 0.954 nan 8.290 nan 0.000 0.522 358 S N -0.801 114.837 115.700 -0.104 0.000 2.428 358 S HA 0.542 5.012 4.470 -0.000 0.000 0.230 358 S C 1.246 175.839 174.600 -0.012 0.000 1.014 358 S CA 1.896 60.046 58.200 -0.084 0.000 0.957 358 S CB -0.087 63.066 63.200 -0.078 0.000 0.784 358 S HN 1.940 nan 8.310 nan 0.000 0.499 359 A N 0.419 123.177 122.820 -0.103 0.000 2.455 359 A HA 0.733 5.053 4.320 -0.000 0.000 0.300 359 A C -1.225 176.284 177.584 -0.124 0.000 1.040 359 A CA -0.658 51.306 52.037 -0.122 0.000 0.697 359 A CB 1.111 20.005 19.000 -0.176 0.000 1.265 359 A HN 0.363 nan 8.150 nan 0.000 0.407 360 I N 1.900 122.415 120.570 -0.093 0.000 2.439 360 I HA 0.541 4.711 4.170 -0.000 0.000 0.283 360 I C 0.218 176.310 176.117 -0.041 0.000 1.023 360 I CA -0.415 60.840 61.300 -0.075 0.000 1.100 360 I CB 1.927 39.886 38.000 -0.068 0.000 1.238 360 I HN 0.727 nan 8.210 nan 0.000 0.445 361 A N 8.030 130.838 122.820 -0.020 0.000 2.273 361 A HA 0.781 5.101 4.320 -0.000 0.000 0.315 361 A C -2.684 174.921 177.584 0.036 0.000 1.256 361 A CA -1.688 50.353 52.037 0.007 0.000 0.851 361 A CB 0.493 19.499 19.000 0.011 0.000 1.172 361 A HN 0.327 nan 8.150 nan 0.000 0.508 362 P HA 0.159 nan 4.420 nan 0.000 0.267 362 P C 0.310 177.651 177.300 0.068 0.000 1.209 362 P CA 0.119 63.250 63.100 0.052 0.000 0.763 362 P CB 0.568 32.290 31.700 0.036 0.000 0.816 363 L N 2.190 123.457 121.223 0.075 0.000 2.592 363 L HA 0.226 4.566 4.340 -0.000 0.000 0.227 363 L C 1.501 178.408 176.870 0.061 0.000 1.127 363 L CA 0.436 55.322 54.840 0.078 0.000 0.884 363 L CB -0.765 41.343 42.059 0.082 0.000 1.065 363 L HN 0.675 nan 8.230 nan 0.000 0.457 364 G N 0.733 109.566 108.800 0.055 0.000 2.539 364 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.256 364 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.256 364 G C -0.396 174.535 174.900 0.051 0.000 1.233 364 G CA -0.078 45.046 45.100 0.040 0.000 0.936 364 G HN 0.235 nan 8.290 nan 0.000 0.571 365 D N 0.735 121.155 120.400 0.032 0.000 2.479 365 D HA 0.445 5.085 4.640 -0.000 0.000 0.218 365 D C 1.509 177.844 176.300 0.058 0.000 1.131 365 D CA -0.478 53.547 54.000 0.042 0.000 0.916 365 D CB 0.921 41.723 40.800 0.004 0.000 1.022 365 D HN 0.384 nan 8.370 nan 0.000 0.515 366 L N 3.404 124.682 121.223 0.092 0.000 2.083 366 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 366 L C 1.290 178.281 176.870 0.202 0.000 1.083 366 L CA 1.738 56.656 54.840 0.130 0.000 0.752 366 L CB 0.078 42.200 42.059 0.104 0.000 0.899 366 L HN 0.371 nan 8.230 nan 0.000 0.433 367 D N -2.153 118.342 120.400 0.158 0.000 2.431 367 D HA 0.017 4.657 4.640 -0.000 0.000 0.213 367 D C 0.533 176.912 176.300 0.131 0.000 1.130 367 D CA -0.334 53.778 54.000 0.187 0.000 0.834 367 D CB -0.190 40.688 40.800 0.130 0.000 0.985 367 D HN 0.223 nan 8.370 nan 0.000 0.504 368 R N 0.832 121.359 120.500 0.046 0.000 3.416 368 R HA -0.165 4.174 4.340 -0.000 0.000 0.263 368 R C -0.062 176.226 176.300 -0.021 0.000 1.053 368 R CA 1.055 57.129 56.100 -0.043 0.000 0.705 368 R CB -1.594 28.607 30.300 -0.165 0.000 1.124 368 R HN 0.390 nan 8.270 nan 0.000 0.444 369 D N -1.752 118.655 120.400 0.010 0.000 2.360 369 D HA 0.115 4.755 4.640 -0.000 0.000 0.210 369 D C 1.369 177.606 176.300 -0.105 0.000 1.047 369 D CA 0.917 54.917 54.000 0.001 0.000 0.854 369 D CB 0.401 41.251 40.800 0.082 0.000 0.936 369 D HN 0.387 nan 8.370 nan 0.000 0.514 370 G N -0.719 107.998 108.800 -0.139 0.000 2.436 370 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 -0.219 174.502 174.900 -0.299 0.000 1.026 370 G CA -0.311 44.617 45.100 -0.286 0.000 0.658 370 G HN 0.322 nan 8.290 nan 0.000 0.499 371 Y N 2.315 122.628 120.300 0.021 0.000 2.308 371 Y HA 0.567 5.117 4.550 -0.000 0.000 0.329 371 Y C 0.738 176.661 175.900 0.037 0.000 1.111 371 Y CA -1.006 57.112 58.100 0.030 0.000 1.179 371 Y CB 0.761 39.243 38.460 0.036 0.000 1.201 371 Y HN 0.057 nan 8.280 nan 0.000 0.483 372 N N 2.912 121.731 118.700 0.198 0.000 2.482 372 N HA 0.093 4.832 4.740 -0.000 0.000 0.260 372 N C -0.860 174.735 175.510 0.141 0.000 1.236 372 N CA 0.012 53.143 53.050 0.135 0.000 0.938 372 N CB 0.582 39.136 38.487 0.111 0.000 1.128 372 N HN 0.597 nan 8.380 nan 0.000 0.448 373 D N 0.201 120.672 120.400 0.118 0.000 2.450 373 D HA 0.574 5.214 4.640 -0.000 0.000 0.238 373 D C 0.334 176.703 176.300 0.116 0.000 1.020 373 D CA -0.362 53.713 54.000 0.125 0.000 1.010 373 D CB 1.865 42.736 40.800 0.118 0.000 1.342 373 D HN 0.473 nan 8.370 nan 0.000 0.530 374 I N -3.407 117.250 120.570 0.146 0.000 3.074 374 I HA 0.839 5.009 4.170 -0.000 0.000 0.310 374 I C -1.431 174.791 176.117 0.175 0.000 1.153 374 I CA -1.238 60.141 61.300 0.133 0.000 0.993 374 I CB 2.327 40.389 38.000 0.103 0.000 1.237 374 I HN 0.349 nan 8.210 nan 0.000 0.443 375 A N 3.212 126.105 122.820 0.122 0.000 2.342 375 A HA 0.811 5.131 4.320 -0.000 0.000 0.323 375 A C -1.005 176.627 177.584 0.079 0.000 1.125 375 A CA -0.630 51.474 52.037 0.111 0.000 0.785 375 A CB 1.652 20.672 19.000 0.033 0.000 1.221 375 A HN 0.548 nan 8.150 nan 0.000 0.463 376 V N 1.734 121.722 119.914 0.123 0.000 2.448 376 V HA 0.663 4.783 4.120 -0.000 0.000 0.295 376 V C 0.519 176.551 176.094 -0.102 0.000 1.025 376 V CA -0.414 61.845 62.300 -0.068 0.000 0.859 376 V CB 1.478 33.175 31.823 -0.210 0.000 0.988 376 V HN 1.200 nan 8.190 nan 0.000 0.431 377 A N 3.725 126.441 122.820 -0.173 0.000 2.309 377 A HA 0.836 5.156 4.320 -0.000 0.000 0.298 377 A C 0.306 177.845 177.584 -0.074 0.000 1.165 377 A CA -0.101 51.868 52.037 -0.114 0.000 0.821 377 A CB 0.975 19.894 19.000 -0.135 0.000 1.102 377 A HN 1.421 nan 8.150 nan 0.000 0.500 378 A N 4.290 127.152 122.820 0.070 0.000 2.802 378 A HA 0.646 4.966 4.320 -0.000 0.000 0.344 378 A C -2.071 175.596 177.584 0.139 0.000 1.215 378 A CA -1.323 50.819 52.037 0.176 0.000 0.821 378 A CB 0.385 19.581 19.000 0.326 0.000 1.099 378 A HN 0.479 nan 8.150 nan 0.000 0.479 379 P HA -0.143 nan 4.420 nan 0.000 0.220 379 P C -0.044 177.014 177.300 -0.403 0.000 1.144 379 P CA 1.672 64.676 63.100 -0.160 0.000 0.800 379 P CB -0.052 31.521 31.700 -0.212 0.000 0.772 380 Y N -2.093 118.324 120.300 0.195 0.000 2.715 380 Y HA 0.450 5.000 4.550 -0.000 0.000 0.255 380 Y C 1.529 177.533 175.900 0.173 0.000 1.139 380 Y CA -0.711 57.493 58.100 0.173 0.000 1.151 380 Y CB -0.018 38.536 38.460 0.158 0.000 1.201 380 Y HN -0.172 nan 8.280 nan 0.000 0.556 381 G N -0.200 108.754 108.800 0.257 0.000 2.525 381 G HA2 0.526 4.486 3.960 -0.000 0.000 0.287 381 G HA3 0.526 4.486 3.960 -0.000 0.000 0.287 381 G C 0.305 175.310 174.900 0.175 0.000 1.350 381 G CA -0.006 45.227 45.100 0.221 0.000 1.039 381 G HN 0.573 nan 8.290 nan 0.000 0.513 382 G N -1.546 107.338 108.800 0.140 0.000 2.733 382 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.686 382 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.686 382 G C -1.548 173.404 174.900 0.087 0.000 1.373 382 G CA -0.022 45.139 45.100 0.101 0.000 0.838 382 G HN 0.537 nan 8.290 nan 0.000 0.588 383 P HA -0.078 nan 4.420 nan 0.000 0.218 383 P C 2.041 179.377 177.300 0.060 0.000 1.148 383 P CA 2.265 65.397 63.100 0.053 0.000 0.822 383 P CB -0.002 31.720 31.700 0.036 0.000 0.784 384 S N -2.167 113.569 115.700 0.060 0.000 2.446 384 S HA 0.213 4.683 4.470 -0.000 0.000 0.225 384 S C 1.762 176.418 174.600 0.093 0.000 1.016 384 S CA 0.674 58.911 58.200 0.062 0.000 0.943 384 S CB -1.194 62.032 63.200 0.044 0.000 0.786 384 S HN 0.278 nan 8.310 nan 0.000 0.508 385 G N 1.686 110.558 108.800 0.120 0.000 2.141 385 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.242 385 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.242 385 G C 0.825 175.845 174.900 0.199 0.000 0.982 385 G CA 0.239 45.447 45.100 0.180 0.000 0.662 385 G HN 0.500 nan 8.290 nan 0.000 0.527 386 R N 0.335 120.915 120.500 0.132 0.000 2.236 386 R HA 0.383 4.722 4.340 -0.000 0.000 0.208 386 R C 1.426 177.797 176.300 0.117 0.000 1.036 386 R CA 1.023 57.187 56.100 0.106 0.000 1.001 386 R CB 0.084 30.408 30.300 0.039 0.000 0.896 386 R HN 1.493 nan 8.270 nan 0.000 0.464 387 G N 0.345 109.237 108.800 0.154 0.000 2.362 387 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.656 387 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.656 387 G C -1.602 173.504 174.900 0.343 0.000 1.376 387 G CA -0.881 44.372 45.100 0.254 0.000 0.971 387 G HN 0.096 nan 8.290 nan 0.000 0.636 388 Q N -0.939 119.115 119.800 0.423 0.000 2.443 388 Q HA 0.530 4.870 4.340 -0.000 0.000 0.258 388 Q C -1.480 174.682 176.000 0.269 0.000 0.967 388 Q CA -0.782 55.234 55.803 0.355 0.000 0.951 388 Q CB 2.525 31.399 28.738 0.227 0.000 1.459 388 Q HN 0.939 nan 8.270 nan 0.000 0.415 389 V N 4.179 124.239 119.914 0.242 0.000 2.495 389 V HA 0.565 4.685 4.120 -0.000 0.000 0.298 389 V C -0.915 175.210 176.094 0.051 0.000 1.031 389 V CA -0.693 61.643 62.300 0.061 0.000 0.871 389 V CB 1.519 33.283 31.823 -0.098 0.000 0.988 389 V HN 0.604 nan 8.190 nan 0.000 0.432 390 L N 5.287 126.550 121.223 0.066 0.000 2.333 390 L HA 0.594 4.934 4.340 -0.000 0.000 0.280 390 L C -0.149 176.638 176.870 -0.138 0.000 1.004 390 L CA -0.294 54.523 54.840 -0.038 0.000 0.820 390 L CB 1.839 43.940 42.059 0.070 0.000 1.247 390 L HN 0.362 nan 8.230 nan 0.000 0.416 391 V N 3.435 123.189 119.914 -0.266 0.000 2.509 391 V HA 0.402 4.521 4.120 -0.000 0.000 0.284 391 V C -0.578 175.265 176.094 -0.418 0.000 1.047 391 V CA -0.182 62.009 62.300 -0.181 0.000 0.952 391 V CB 1.079 32.845 31.823 -0.095 0.000 0.988 391 V HN 0.420 nan 8.190 nan 0.000 0.469 392 F N 4.674 124.650 119.950 0.043 0.000 2.496 392 F HA 0.523 5.050 4.527 -0.000 0.000 0.341 392 F C 0.064 175.889 175.800 0.040 0.000 1.134 392 F CA -0.513 57.513 58.000 0.044 0.000 0.968 392 F CB 1.238 40.269 39.000 0.050 0.000 1.205 392 F HN 0.210 nan 8.300 nan 0.000 0.436 393 L N 2.945 124.262 121.223 0.157 0.000 2.397 393 L HA 0.470 4.810 4.340 -0.000 0.000 0.271 393 L C 1.002 177.941 176.870 0.114 0.000 1.148 393 L CA -0.394 54.521 54.840 0.125 0.000 0.825 393 L CB 0.556 42.669 42.059 0.090 0.000 1.117 393 L HN 0.745 nan 8.230 nan 0.000 0.456 394 G N 1.724 110.591 108.800 0.111 0.000 2.507 394 G HA2 0.527 4.487 3.960 -0.000 0.000 0.271 394 G HA3 0.527 4.487 3.960 -0.000 0.000 0.271 394 G C -0.773 174.042 174.900 -0.141 0.000 1.189 394 G CA -0.281 44.844 45.100 0.042 0.000 0.859 394 G HN 0.725 nan 8.290 nan 0.000 0.542 395 Q N -1.479 118.054 119.800 -0.444 0.000 2.693 395 Q HA 0.508 4.848 4.340 -0.000 0.000 0.306 395 Q C 1.019 176.401 176.000 -1.030 0.000 0.969 395 Q CA -0.210 55.071 55.803 -0.870 0.000 0.757 395 Q CB 0.953 29.483 28.738 -0.348 0.000 1.494 395 Q HN 0.543 nan 8.270 nan 0.000 0.459 396 S N -0.415 114.794 115.700 -0.818 0.000 2.399 396 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 396 S C 0.943 175.443 174.600 -0.166 0.000 1.022 396 S CA 1.626 59.631 58.200 -0.324 0.000 0.983 396 S CB -0.457 62.704 63.200 -0.065 0.000 0.803 396 S HN 0.633 nan 8.310 nan 0.000 0.480 397 E N 1.104 121.208 120.200 -0.160 0.000 2.489 397 E HA 0.362 4.712 4.350 -0.000 0.000 0.193 397 E C 1.297 177.849 176.600 -0.080 0.000 1.057 397 E CA 0.249 56.596 56.400 -0.088 0.000 0.866 397 E CB 0.204 29.863 29.700 -0.068 0.000 0.916 397 E HN 0.702 nan 8.360 nan 0.000 0.500 398 G N 0.919 109.652 108.800 -0.111 0.000 1.844 398 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.177 398 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.177 398 G C -0.811 174.048 174.900 -0.069 0.000 1.010 398 G CA -0.734 44.325 45.100 -0.069 0.000 1.257 398 G HN 0.054 nan 8.290 nan 0.000 0.428 399 L N 0.986 122.183 121.223 -0.044 0.000 2.301 399 L HA 0.707 5.047 4.340 -0.000 0.000 0.264 399 L C 0.247 177.126 176.870 0.016 0.000 1.016 399 L CA -1.305 53.532 54.840 -0.004 0.000 0.821 399 L CB 1.849 43.903 42.059 -0.009 0.000 1.346 399 L HN 0.366 nan 8.230 nan 0.000 0.429 400 R N 0.386 120.939 120.500 0.089 0.000 2.441 400 R HA 0.131 4.471 4.340 -0.000 0.000 0.284 400 R C 0.875 177.275 176.300 0.167 0.000 1.070 400 R CA -0.106 56.057 56.100 0.105 0.000 1.047 400 R CB 1.278 31.647 30.300 0.116 0.000 1.016 400 R HN 0.701 nan 8.270 nan 0.000 0.477 401 S N 2.348 118.108 115.700 0.099 0.000 2.368 401 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 401 S C 0.528 175.244 174.600 0.193 0.000 1.029 401 S CA 0.905 59.165 58.200 0.101 0.000 0.988 401 S CB 0.262 63.482 63.200 0.033 0.000 0.838 401 S HN 0.321 nan 8.310 nan 0.000 0.462 402 R N 2.411 122.994 120.500 0.138 0.000 2.308 402 R HA 0.457 4.796 4.340 -0.000 0.000 0.305 402 R C -2.600 173.731 176.300 0.051 0.000 1.053 402 R CA -2.856 53.300 56.100 0.093 0.000 0.957 402 R CB -0.277 30.042 30.300 0.032 0.000 1.022 402 R HN 0.357 nan 8.270 nan 0.000 0.461 403 P HA 0.060 nan 4.420 nan 0.000 0.274 403 P C 0.288 177.446 177.300 -0.237 0.000 1.231 403 P CA -0.210 62.606 63.100 -0.473 0.000 0.790 403 P CB 0.763 32.078 31.700 -0.641 0.000 0.951 404 S N 0.515 116.077 115.700 -0.230 0.000 2.470 404 S HA -0.011 4.459 4.470 -0.000 0.000 0.225 404 S C 0.676 175.217 174.600 -0.098 0.000 1.006 404 S CA 0.267 58.402 58.200 -0.108 0.000 0.934 404 S CB -0.165 63.000 63.200 -0.058 0.000 0.778 404 S HN 0.690 nan 8.310 nan 0.000 0.517 405 Q N -0.417 119.297 119.800 -0.144 0.000 2.479 405 Q HA 0.549 4.889 4.340 -0.000 0.000 0.276 405 Q C -2.484 173.448 176.000 -0.112 0.000 0.989 405 Q CA -0.678 55.067 55.803 -0.096 0.000 0.864 405 Q CB 2.159 30.858 28.738 -0.065 0.000 1.444 405 Q HN 0.143 nan 8.270 nan 0.000 0.388 406 V N 3.948 123.826 119.914 -0.060 0.000 2.483 406 V HA 0.444 4.564 4.120 -0.000 0.000 0.297 406 V C -0.637 175.459 176.094 0.002 0.000 1.027 406 V CA -0.618 61.664 62.300 -0.030 0.000 0.855 406 V CB 1.545 33.361 31.823 -0.011 0.000 0.995 406 V HN 0.690 nan 8.190 nan 0.000 0.424 407 L N 4.399 125.634 121.223 0.021 0.000 2.257 407 L HA 0.534 4.874 4.340 -0.000 0.000 0.290 407 L C -0.445 176.511 176.870 0.143 0.000 1.044 407 L CA -0.483 54.391 54.840 0.056 0.000 0.810 407 L CB 1.074 43.100 42.059 -0.054 0.000 1.193 407 L HN 0.527 nan 8.230 nan 0.000 0.425 408 D N 1.720 122.144 120.400 0.041 0.000 2.256 408 D HA 0.066 4.705 4.640 -0.000 0.000 0.250 408 D C 0.223 176.304 176.300 -0.365 0.000 1.093 408 D CA -0.063 53.904 54.000 -0.054 0.000 0.882 408 D CB 1.832 42.605 40.800 -0.044 0.000 1.185 408 D HN 0.335 nan 8.370 nan 0.000 0.437 409 S N 2.386 117.692 115.700 -0.656 0.000 2.626 409 S HA 0.014 4.484 4.470 -0.000 0.000 0.303 409 S C -1.374 172.839 174.600 -0.644 0.000 1.256 409 S CA -0.875 56.602 58.200 -1.205 0.000 1.069 409 S CB 0.482 63.352 63.200 -0.552 0.000 0.807 409 S HN 0.294 nan 8.310 nan 0.000 0.500 410 P HA 0.173 nan 4.420 nan 0.000 0.251 410 P C -0.294 176.613 177.300 -0.654 0.000 1.223 410 P CA 0.186 62.919 63.100 -0.612 0.000 0.796 410 P CB 0.049 31.386 31.700 -0.606 0.000 1.068 411 F N 1.455 121.273 119.950 -0.220 0.000 2.408 411 F HA 0.492 5.019 4.527 -0.000 0.000 0.325 411 F C -1.719 174.013 175.800 -0.112 0.000 1.082 411 F CA -2.856 55.045 58.000 -0.165 0.000 1.032 411 F CB -0.863 38.070 39.000 -0.113 0.000 1.259 411 F HN -0.263 nan 8.300 nan 0.000 0.503 412 P HA 0.139 nan 4.420 nan 0.000 0.275 412 P C -0.475 176.864 177.300 0.066 0.000 1.266 412 P CA -0.507 62.624 63.100 0.053 0.000 0.793 412 P CB 0.253 31.973 31.700 0.034 0.000 1.074 413 T N 0.472 115.059 114.554 0.056 0.000 2.939 413 T HA 0.272 4.622 4.350 -0.000 0.000 0.312 413 T C 1.351 176.097 174.700 0.077 0.000 1.064 413 T CA 2.024 64.171 62.100 0.078 0.000 1.136 413 T CB -0.782 68.127 68.868 0.069 0.000 1.035 413 T HN 0.833 nan 8.240 nan 0.000 0.538 414 G N 1.979 110.854 108.800 0.124 0.000 2.175 414 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.244 414 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.244 414 G C 1.278 176.169 174.900 -0.015 0.000 0.982 414 G CA 0.974 46.141 45.100 0.112 0.000 0.641 414 G HN 1.070 nan 8.290 nan 0.000 0.527 415 S N 0.119 115.796 115.700 -0.037 0.000 2.419 415 S HA 0.330 4.800 4.470 -0.000 0.000 0.233 415 S C 2.051 176.468 174.600 -0.305 0.000 1.016 415 S CA 1.762 59.879 58.200 -0.139 0.000 0.974 415 S CB -0.312 62.896 63.200 0.013 0.000 0.786 415 S HN 2.431 nan 8.310 nan 0.000 0.492 416 A N -0.125 122.502 122.820 -0.322 0.000 2.869 416 A HA -0.197 4.123 4.320 -0.000 0.000 0.280 416 A C 0.146 177.653 177.584 -0.129 0.000 1.458 416 A CA 0.605 52.373 52.037 -0.449 0.000 0.776 416 A CB -2.998 15.620 19.000 -0.635 0.000 1.028 416 A HN 1.107 nan 8.150 nan 0.000 0.547 417 F N 0.513 120.385 119.950 -0.130 0.000 2.539 417 F HA 0.359 4.886 4.527 -0.000 0.000 0.393 417 F C 1.409 177.241 175.800 0.053 0.000 1.032 417 F CA 1.510 59.543 58.000 0.056 0.000 1.120 417 F CB -0.218 38.884 39.000 0.170 0.000 1.014 417 F HN 1.557 nan 8.300 nan 0.000 0.546 418 G N 5.050 113.594 108.800 -0.427 0.000 2.179 418 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.220 418 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.220 418 G C 0.800 175.630 174.900 -0.118 0.000 0.990 418 G CA 0.106 44.980 45.100 -0.377 0.000 0.646 418 G HN 0.735 nan 8.290 nan 0.000 0.517 419 F N 2.739 122.604 119.950 -0.142 0.000 2.192 419 F HA 0.140 4.667 4.527 -0.000 0.000 0.301 419 F C 1.652 177.380 175.800 -0.120 0.000 1.079 419 F CA 2.176 60.134 58.000 -0.070 0.000 1.303 419 F CB 0.141 39.172 39.000 0.052 0.000 1.024 419 F HN 0.486 nan 8.300 nan 0.000 0.494 420 S N -0.167 115.522 115.700 -0.019 0.000 2.568 420 S HA 0.750 5.220 4.470 -0.000 0.000 0.293 420 S C -1.053 173.484 174.600 -0.105 0.000 1.089 420 S CA -0.802 57.331 58.200 -0.112 0.000 0.945 420 S CB 2.541 65.706 63.200 -0.057 0.000 1.077 420 S HN 0.122 nan 8.310 nan 0.000 0.485 421 L N 0.826 121.984 121.223 -0.108 0.000 2.506 421 L HA 0.749 5.089 4.340 -0.000 0.000 0.257 421 L C -0.914 175.922 176.870 -0.057 0.000 0.964 421 L CA -0.709 54.083 54.840 -0.080 0.000 0.836 421 L CB 2.621 44.630 42.059 -0.084 0.000 1.384 421 L HN 0.808 nan 8.230 nan 0.000 0.410 422 R N 0.288 120.775 120.500 -0.022 0.000 2.594 422 R HA 0.778 5.118 4.340 -0.000 0.000 0.265 422 R C -0.975 175.482 176.300 0.261 0.000 1.070 422 R CA -0.050 56.077 56.100 0.045 0.000 0.909 422 R CB 2.189 32.425 30.300 -0.106 0.000 1.243 422 R HN 0.779 nan 8.270 nan 0.000 0.455 423 G N 0.368 109.369 108.800 0.335 0.000 3.058 423 G HA2 0.564 4.524 3.960 -0.000 0.000 0.282 423 G HA3 0.564 4.524 3.960 -0.000 0.000 0.282 423 G C -0.491 174.523 174.900 0.189 0.000 1.248 423 G CA -0.057 45.243 45.100 0.333 0.000 0.822 423 G HN 1.327 nan 8.290 nan 0.000 0.579 424 A N -2.430 120.419 122.820 0.048 0.000 2.899 424 A HA -0.004 4.316 4.320 -0.000 0.000 0.257 424 A C 0.165 177.662 177.584 -0.145 0.000 1.335 424 A CA 1.207 53.232 52.037 -0.021 0.000 0.924 424 A CB -2.085 16.930 19.000 0.025 0.000 1.105 424 A HN 1.740 nan 8.150 nan 0.000 0.765 425 V N 0.280 119.979 119.914 -0.357 0.000 2.638 425 V HA 0.550 4.670 4.120 -0.000 0.000 0.306 425 V C -0.481 175.263 176.094 -0.583 0.000 1.052 425 V CA -0.239 61.702 62.300 -0.598 0.000 0.885 425 V CB 1.996 33.129 31.823 -1.151 0.000 0.999 425 V HN 0.463 nan 8.190 nan 0.000 0.424 426 D N 3.317 123.489 120.400 -0.379 0.000 2.411 426 D HA 0.282 4.922 4.640 -0.000 0.000 0.225 426 D C 0.673 176.770 176.300 -0.339 0.000 1.156 426 D CA -0.047 53.783 54.000 -0.285 0.000 0.874 426 D CB 1.166 41.864 40.800 -0.170 0.000 1.034 426 D HN 0.537 nan 8.370 nan 0.000 0.502 427 I N 2.518 122.829 120.570 -0.432 0.000 2.617 427 I HA -0.111 4.059 4.170 -0.000 0.000 0.256 427 I C 0.972 176.665 176.117 -0.705 0.000 1.167 427 I CA 0.808 61.797 61.300 -0.518 0.000 1.469 427 I CB 0.394 38.071 38.000 -0.538 0.000 1.098 427 I HN 0.354 nan 8.210 nan 0.000 0.436 428 D N -1.341 118.688 120.400 -0.618 0.000 2.398 428 D HA -0.043 4.597 4.640 -0.000 0.000 0.210 428 D C 0.467 176.698 176.300 -0.115 0.000 1.094 428 D CA 0.103 53.863 54.000 -0.400 0.000 0.839 428 D CB -0.165 40.486 40.800 -0.249 0.000 0.963 428 D HN 0.229 nan 8.370 nan 0.000 0.506 429 D N 0.760 121.086 120.400 -0.124 0.000 2.835 429 D HA -0.192 4.448 4.640 -0.000 0.000 0.230 429 D C 0.271 176.567 176.300 -0.007 0.000 1.130 429 D CA 1.027 54.995 54.000 -0.054 0.000 0.738 429 D CB -1.502 39.286 40.800 -0.020 0.000 1.090 429 D HN 0.440 nan 8.370 nan 0.000 0.433 430 N N -0.159 118.548 118.700 0.012 0.000 2.236 430 N HA 0.216 4.955 4.740 -0.000 0.000 0.196 430 N C 1.626 177.228 175.510 0.154 0.000 1.114 430 N CA 1.148 54.248 53.050 0.084 0.000 0.859 430 N CB 0.443 38.986 38.487 0.093 0.000 0.982 430 N HN 0.529 nan 8.380 nan 0.000 0.493 431 G N -0.780 108.053 108.800 0.055 0.000 2.213 431 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.236 431 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.236 431 G C -0.643 174.140 174.900 -0.195 0.000 0.991 431 G CA 0.104 45.160 45.100 -0.073 0.000 0.629 431 G HN 0.361 nan 8.290 nan 0.000 0.517 432 Y N 1.835 122.101 120.300 -0.056 0.000 2.409 432 Y HA 0.603 5.153 4.550 -0.000 0.000 0.339 432 Y C -2.022 173.832 175.900 -0.077 0.000 1.033 432 Y CA -2.568 55.503 58.100 -0.049 0.000 1.094 432 Y CB 2.050 40.494 38.460 -0.028 0.000 1.210 432 Y HN -0.037 nan 8.280 nan 0.000 0.456 433 P HA 0.136 nan 4.420 nan 0.000 0.279 433 P C -0.887 176.421 177.300 0.015 0.000 1.239 433 P CA -0.136 62.949 63.100 -0.025 0.000 0.789 433 P CB 1.625 33.308 31.700 -0.028 0.000 0.933 434 D N 1.298 121.675 120.400 -0.039 0.000 2.588 434 D HA 0.534 5.174 4.640 -0.000 0.000 0.268 434 D C -0.526 175.883 176.300 0.182 0.000 1.176 434 D CA -0.154 53.882 54.000 0.060 0.000 1.080 434 D CB 0.778 41.586 40.800 0.013 0.000 1.186 434 D HN 0.177 nan 8.370 nan 0.000 0.619 435 L N 0.778 122.168 121.223 0.278 0.000 2.438 435 L HA 0.440 4.780 4.340 -0.000 0.000 0.270 435 L C -1.177 175.916 176.870 0.371 0.000 0.972 435 L CA -0.657 54.368 54.840 0.308 0.000 0.831 435 L CB 1.384 43.551 42.059 0.181 0.000 1.273 435 L HN 0.381 nan 8.230 nan 0.000 0.405 436 I N 3.295 124.032 120.570 0.278 0.000 2.377 436 I HA 0.791 4.961 4.170 -0.000 0.000 0.293 436 I C -1.149 175.049 176.117 0.134 0.000 0.987 436 I CA -0.837 60.580 61.300 0.193 0.000 1.185 436 I CB 1.806 39.777 38.000 -0.049 0.000 1.341 436 I HN 0.316 nan 8.210 nan 0.000 0.455 437 V N 4.924 124.976 119.914 0.231 0.000 2.540 437 V HA 0.713 4.833 4.120 -0.000 0.000 0.302 437 V C 0.615 176.803 176.094 0.157 0.000 1.035 437 V CA -0.422 61.941 62.300 0.104 0.000 0.873 437 V CB 1.669 33.505 31.823 0.021 0.000 0.992 437 V HN 0.981 nan 8.190 nan 0.000 0.428 438 G N 2.396 111.227 108.800 0.051 0.000 2.371 438 G HA2 0.646 4.606 3.960 -0.000 0.000 0.326 438 G HA3 0.646 4.606 3.960 -0.000 0.000 0.326 438 G C -0.364 174.589 174.900 0.089 0.000 1.127 438 G CA -0.270 44.884 45.100 0.090 0.000 0.885 438 G HN 1.157 nan 8.290 nan 0.000 0.477 439 A N 2.280 125.122 122.820 0.036 0.000 3.030 439 A HA 0.469 4.789 4.320 -0.000 0.000 0.335 439 A C 0.481 177.992 177.584 -0.121 0.000 1.089 439 A CA -0.687 51.294 52.037 -0.094 0.000 0.807 439 A CB -0.114 18.681 19.000 -0.341 0.000 1.099 439 A HN 1.056 nan 8.150 nan 0.000 0.474 440 Y N 0.057 120.344 120.300 -0.022 0.000 2.274 440 Y HA 0.008 4.558 4.550 -0.000 0.000 0.290 440 Y C 1.730 177.635 175.900 0.008 0.000 1.145 440 Y CA 1.560 59.680 58.100 0.034 0.000 1.203 440 Y CB -0.738 37.787 38.460 0.109 0.000 0.984 440 Y HN 0.375 nan 8.280 nan 0.000 0.533 441 G N 0.600 109.035 108.800 -0.609 0.000 2.442 441 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 441 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 441 G C 1.539 176.342 174.900 -0.162 0.000 1.141 441 G CA 0.951 45.832 45.100 -0.365 0.000 0.763 441 G HN 0.702 nan 8.290 nan 0.000 0.554 442 A N -0.026 122.671 122.820 -0.206 0.000 2.423 442 A HA 0.316 4.636 4.320 -0.000 0.000 0.246 442 A C 1.068 178.550 177.584 -0.170 0.000 1.278 442 A CA 0.386 52.303 52.037 -0.201 0.000 0.903 442 A CB -0.121 18.682 19.000 -0.328 0.000 0.997 442 A HN 0.282 nan 8.150 nan 0.000 0.510 443 N N -0.146 118.521 118.700 -0.054 0.000 2.725 443 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 443 N C -0.311 175.265 175.510 0.111 0.000 1.103 443 N CA 1.476 54.569 53.050 0.073 0.000 0.707 443 N CB -1.323 37.166 38.487 0.004 0.000 1.043 443 N HN 0.811 nan 8.380 nan 0.000 0.553 444 Q N -0.904 118.925 119.800 0.048 0.000 2.495 444 Q HA 0.747 5.087 4.340 -0.000 0.000 0.287 444 Q C -0.812 175.322 176.000 0.223 0.000 1.078 444 Q CA -0.864 55.007 55.803 0.114 0.000 0.793 444 Q CB 2.696 31.309 28.738 -0.208 0.000 1.459 444 Q HN 0.013 nan 8.270 nan 0.000 0.422 445 V N 0.544 120.727 119.914 0.448 0.000 2.656 445 V HA 0.760 4.880 4.120 -0.000 0.000 0.307 445 V C -1.065 175.402 176.094 0.621 0.000 1.051 445 V CA -0.772 61.795 62.300 0.445 0.000 0.893 445 V CB 1.691 33.736 31.823 0.371 0.000 0.999 445 V HN 0.821 nan 8.190 nan 0.000 0.426 446 A N 4.195 127.404 122.820 0.649 0.000 2.288 446 A HA 0.814 5.133 4.320 -0.000 0.000 0.320 446 A C -0.697 177.136 177.584 0.416 0.000 1.217 446 A CA -0.505 51.898 52.037 0.610 0.000 0.840 446 A CB 1.205 20.689 19.000 0.807 0.000 1.179 446 A HN 0.704 nan 8.150 nan 0.000 0.504 447 V N 3.506 123.567 119.914 0.245 0.000 2.350 447 V HA 0.283 4.403 4.120 -0.000 0.000 0.276 447 V C -1.123 175.023 176.094 0.085 0.000 1.028 447 V CA -0.268 62.209 62.300 0.295 0.000 0.860 447 V CB 0.295 32.392 31.823 0.458 0.000 0.990 447 V HN 0.725 nan 8.190 nan 0.000 0.453 448 Y N 3.969 124.386 120.300 0.196 0.000 2.342 448 Y HA 0.552 5.102 4.550 -0.000 0.000 0.338 448 Y C 0.703 176.662 175.900 0.098 0.000 0.965 448 Y CA -0.662 57.519 58.100 0.136 0.000 1.159 448 Y CB 1.110 39.651 38.460 0.135 0.000 1.157 448 Y HN 0.483 nan 8.280 nan 0.000 0.486 449 R N 1.943 122.544 120.500 0.169 0.000 2.357 449 R HA 0.649 4.989 4.340 -0.000 0.000 0.296 449 R C -0.257 176.081 176.300 0.063 0.000 1.052 449 R CA -0.584 55.564 56.100 0.081 0.000 0.988 449 R CB 0.858 31.190 30.300 0.053 0.000 1.025 449 R HN 0.789 nan 8.270 nan 0.000 0.469 450 A N 3.429 126.268 122.820 0.032 0.000 2.409 450 A HA 0.210 4.529 4.320 -0.000 0.000 0.262 450 A C -0.432 177.045 177.584 -0.179 0.000 1.113 450 A CA -0.365 51.661 52.037 -0.019 0.000 0.790 450 A CB 0.602 19.642 19.000 0.068 0.000 1.046 450 A HN 0.528 nan 8.150 nan 0.000 0.496 451 Q N 1.325 120.953 119.800 -0.287 0.000 2.399 451 Q HA 0.514 4.854 4.340 -0.000 0.000 0.276 451 Q C -2.586 173.024 176.000 -0.650 0.000 1.098 451 Q CA -1.895 53.664 55.803 -0.406 0.000 0.827 451 Q CB 1.083 29.710 28.738 -0.185 0.000 1.386 451 Q HN 0.475 nan 8.270 nan 0.000 0.443 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 62.862 63.100 -0.397 0.000 0.800 452 P CB 0.000 31.616 31.700 -0.140 0.000 0.726