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 2vdp_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 0.000 176.872 176.870 0.003 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 0.017 0.000 0.961 2 N N 0.114 118.821 118.700 0.012 0.000 2.238 2 N HA 0.205 4.945 4.740 -0.000 0.000 0.235 2 N C -0.332 175.178 175.510 -0.000 0.000 1.209 2 N CA -0.242 52.805 53.050 -0.005 0.000 0.879 2 N CB 0.352 38.826 38.487 -0.021 0.000 1.136 2 N HN 0.292 nan 8.380 nan 0.000 0.517 3 L N 1.414 122.653 121.223 0.026 0.000 2.410 3 L HA 0.128 4.468 4.340 -0.000 0.000 0.273 3 L C 0.092 177.016 176.870 0.089 0.000 1.144 3 L CA -0.217 54.662 54.840 0.066 0.000 0.863 3 L CB 0.429 42.525 42.059 0.061 0.000 1.140 3 L HN 0.001 nan 8.230 nan 0.000 0.463 4 D N 5.767 126.234 120.400 0.112 0.000 2.336 4 D HA 0.134 4.774 4.640 -0.000 0.000 0.249 4 D C -1.498 174.912 176.300 0.183 0.000 1.213 4 D CA -1.549 52.510 54.000 0.098 0.000 0.870 4 D CB 1.155 41.985 40.800 0.050 0.000 1.076 4 D HN 0.222 nan 8.370 nan 0.000 0.483 5 P HA -0.020 nan 4.420 nan 0.000 0.245 5 P C 1.099 178.466 177.300 0.111 0.000 1.203 5 P CA 0.058 63.304 63.100 0.244 0.000 0.792 5 P CB 0.577 32.380 31.700 0.173 0.000 0.997 6 V N 0.262 120.205 119.914 0.049 0.000 2.302 6 V HA -0.074 4.046 4.120 -0.000 0.000 0.243 6 V C 1.352 177.424 176.094 -0.037 0.000 1.036 6 V CA 1.437 63.741 62.300 0.007 0.000 1.020 6 V CB -0.949 30.876 31.823 0.004 0.000 0.657 6 V HN 0.113 nan 8.190 nan 0.000 0.453 7 Q N 1.543 121.317 119.800 -0.043 0.000 2.835 7 Q HA 0.396 4.736 4.340 -0.000 0.000 0.235 7 Q C -0.539 175.366 176.000 -0.158 0.000 1.313 7 Q CA 0.155 55.909 55.803 -0.082 0.000 1.053 7 Q CB 0.432 29.148 28.738 -0.037 0.000 1.443 7 Q HN 0.488 nan 8.270 nan 0.000 0.576 8 L N 0.694 121.730 121.223 -0.311 0.000 2.439 8 L HA 0.500 4.839 4.340 -0.000 0.000 0.259 8 L C 0.400 176.886 176.870 -0.639 0.000 1.129 8 L CA -0.360 54.136 54.840 -0.573 0.000 0.803 8 L CB 0.921 42.453 42.059 -0.879 0.000 1.161 8 L HN 0.191 nan 8.230 nan 0.000 0.462 9 T N 1.013 115.201 114.554 -0.611 0.000 2.812 9 T HA 0.530 4.880 4.350 -0.000 0.000 0.282 9 T C -0.705 173.680 174.700 -0.526 0.000 0.990 9 T CA -0.300 61.491 62.100 -0.515 0.000 0.960 9 T CB 0.771 69.521 68.868 -0.196 0.000 0.948 9 T HN 0.142 nan 8.240 nan 0.000 0.438 10 F N 2.472 122.340 119.950 -0.138 0.000 2.411 10 F HA 0.512 5.039 4.527 -0.000 0.000 0.352 10 F C -0.289 175.438 175.800 -0.122 0.000 1.123 10 F CA -1.122 56.876 58.000 -0.002 0.000 1.044 10 F CB 0.981 40.015 39.000 0.057 0.000 1.135 10 F HN 0.489 nan 8.300 nan 0.000 0.461 11 Y N 2.055 122.561 120.300 0.343 0.000 2.342 11 Y HA 0.668 5.218 4.550 -0.000 0.000 0.334 11 Y C 0.153 176.133 175.900 0.135 0.000 1.067 11 Y CA -0.936 57.303 58.100 0.233 0.000 1.128 11 Y CB 1.707 40.366 38.460 0.331 0.000 1.200 11 Y HN 0.625 nan 8.280 nan 0.000 0.464 12 A N 1.760 124.531 122.820 -0.081 0.000 2.386 12 A HA 0.839 5.158 4.320 -0.000 0.000 0.311 12 A C -0.059 176.842 177.584 -1.139 0.000 1.068 12 A CA -0.165 51.607 52.037 -0.443 0.000 0.743 12 A CB 0.922 19.799 19.000 -0.206 0.000 1.258 12 A HN 0.859 nan 8.150 nan 0.000 0.429 13 G N 0.569 108.472 108.800 -1.496 0.000 2.753 13 G HA2 0.744 4.704 3.960 -0.000 0.000 0.285 13 G HA3 0.744 4.704 3.960 -0.000 0.000 0.285 13 G C -2.949 171.664 174.900 -0.478 0.000 1.344 13 G CA -1.702 42.634 45.100 -1.273 0.000 1.050 13 G HN 0.538 nan 8.290 nan 0.000 0.532 14 P HA 0.174 nan 4.420 nan 0.000 0.274 14 P C -0.346 176.936 177.300 -0.030 0.000 1.237 14 P CA -0.800 62.245 63.100 -0.090 0.000 0.793 14 P CB 0.552 32.256 31.700 0.007 0.000 0.977 15 N N 0.767 119.456 118.700 -0.018 0.000 2.412 15 N HA 0.144 4.883 4.740 -0.000 0.000 0.254 15 N C 1.545 177.072 175.510 0.029 0.000 1.232 15 N CA 1.806 54.857 53.050 0.002 0.000 0.880 15 N CB -0.265 38.221 38.487 -0.002 0.000 1.076 15 N HN 0.746 nan 8.380 nan 0.000 0.458 16 G N 0.913 109.738 108.800 0.041 0.000 2.189 16 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.267 16 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.267 16 G C 0.929 175.874 174.900 0.075 0.000 0.975 16 G CA 1.036 46.168 45.100 0.053 0.000 0.644 16 G HN 0.720 nan 8.290 nan 0.000 0.537 17 S N -0.734 115.029 115.700 0.105 0.000 2.528 17 S HA 0.193 4.663 4.470 -0.000 0.000 0.219 17 S C 1.268 175.971 174.600 0.172 0.000 0.985 17 S CA 1.205 59.493 58.200 0.146 0.000 0.914 17 S CB -0.138 63.185 63.200 0.204 0.000 0.776 17 S HN 1.053 nan 8.310 nan 0.000 0.526 18 Q N -0.311 119.609 119.800 0.199 0.000 2.480 18 Q HA -0.202 4.138 4.340 -0.000 0.000 0.265 18 Q C -0.469 175.720 176.000 0.314 0.000 1.072 18 Q CA 0.513 56.479 55.803 0.271 0.000 1.018 18 Q CB -2.447 26.372 28.738 0.135 0.000 1.433 18 Q HN 0.740 nan 8.270 nan 0.000 0.513 19 F N 0.787 120.827 119.950 0.149 0.000 2.549 19 F HA 0.166 4.693 4.527 -0.000 0.000 0.400 19 F C 1.458 177.351 175.800 0.155 0.000 1.011 19 F CA 2.183 60.263 58.000 0.133 0.000 1.148 19 F CB 0.266 39.268 39.000 0.003 0.000 0.993 19 F HN 0.305 nan 8.300 nan 0.000 0.540 20 G N 4.877 113.582 108.800 -0.159 0.000 2.184 20 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.206 20 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.206 20 G C 0.705 175.702 174.900 0.161 0.000 0.995 20 G CA 0.092 45.169 45.100 -0.039 0.000 0.651 20 G HN 0.727 nan 8.290 nan 0.000 0.511 21 F N 2.684 122.682 119.950 0.080 0.000 2.161 21 F HA 0.199 4.726 4.527 -0.000 0.000 0.300 21 F C 1.569 177.440 175.800 0.118 0.000 1.089 21 F CA 2.361 60.424 58.000 0.106 0.000 1.282 21 F CB 0.157 39.106 39.000 -0.084 0.000 1.010 21 F HN 0.573 nan 8.300 nan 0.000 0.485 22 S N -0.149 115.662 115.700 0.185 0.000 2.588 22 S HA 0.737 5.207 4.470 -0.000 0.000 0.275 22 S C -1.243 173.333 174.600 -0.041 0.000 1.130 22 S CA -0.526 57.699 58.200 0.042 0.000 0.855 22 S CB 2.444 65.693 63.200 0.082 0.000 1.116 22 S HN 0.288 nan 8.310 nan 0.000 0.472 23 L N -1.332 119.843 121.223 -0.080 0.000 2.775 23 L HA 0.997 5.337 4.340 -0.000 0.000 0.263 23 L C -1.480 175.310 176.870 -0.135 0.000 1.017 23 L CA -0.590 54.175 54.840 -0.125 0.000 0.891 23 L CB 0.737 42.696 42.059 -0.167 0.000 1.482 23 L HN 0.852 nan 8.230 nan 0.000 0.410 24 D N -0.703 119.599 120.400 -0.163 0.000 2.648 24 D HA 0.578 5.218 4.640 -0.000 0.000 0.244 24 D C -1.601 174.592 176.300 -0.178 0.000 1.244 24 D CA -0.268 53.644 54.000 -0.146 0.000 0.772 24 D CB 1.451 42.256 40.800 0.009 0.000 1.379 24 D HN 0.372 nan 8.370 nan 0.000 0.428 25 F N 1.307 121.295 119.950 0.065 0.000 2.429 25 F HA 0.386 4.913 4.527 -0.000 0.000 0.348 25 F C 0.590 176.464 175.800 0.123 0.000 1.109 25 F CA 0.023 58.066 58.000 0.072 0.000 1.232 25 F CB 0.761 39.780 39.000 0.032 0.000 1.157 25 F HN 0.258 nan 8.300 nan 0.000 0.564 26 H N 2.140 121.336 119.070 0.211 0.000 2.667 26 H HA 0.381 4.937 4.556 -0.000 0.000 0.353 26 H C -1.267 174.123 175.328 0.105 0.000 1.072 26 H CA -0.967 55.158 56.048 0.130 0.000 1.214 26 H CB 1.325 31.146 29.762 0.098 0.000 1.600 26 H HN 0.576 nan 8.280 nan 0.000 0.527 27 K N 4.250 124.322 120.400 -0.548 0.000 2.339 27 K HA 0.194 4.514 4.320 -0.000 0.000 0.264 27 K C -0.745 175.552 176.600 -0.505 0.000 0.986 27 K CA -0.933 55.136 56.287 -0.364 0.000 0.866 27 K CB 0.653 33.023 32.500 -0.217 0.000 1.103 27 K HN 0.831 nan 8.250 nan 0.000 0.441 28 D N 2.111 122.370 120.400 -0.235 0.000 2.393 28 D HA -0.075 4.565 4.640 -0.000 0.000 0.246 28 D C 1.043 177.281 176.300 -0.104 0.000 1.275 28 D CA -0.136 53.811 54.000 -0.089 0.000 0.979 28 D CB 0.726 41.588 40.800 0.103 0.000 1.101 28 D HN 0.415 nan 8.370 nan 0.000 0.505 29 S N -0.624 115.008 115.700 -0.114 0.000 2.383 29 S HA -0.286 4.184 4.470 -0.000 0.000 0.229 29 S C 1.686 176.166 174.600 -0.201 0.000 1.030 29 S CA 1.360 59.441 58.200 -0.197 0.000 1.002 29 S CB -1.058 61.982 63.200 -0.267 0.000 0.829 29 S HN 0.621 nan 8.310 nan 0.000 0.467 30 H N 1.521 120.568 119.070 -0.039 0.000 2.423 30 H HA 0.262 4.818 4.556 -0.000 0.000 0.297 30 H C 2.005 177.312 175.328 -0.035 0.000 1.075 30 H CA 1.187 57.219 56.048 -0.027 0.000 1.342 30 H CB -0.314 29.443 29.762 -0.007 0.000 1.395 30 H HN 0.645 nan 8.280 nan 0.000 0.530 31 G N -0.311 108.522 108.800 0.054 0.000 2.229 31 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.189 31 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.189 31 G C 0.297 175.202 174.900 0.010 0.000 1.000 31 G CA -0.171 44.929 45.100 0.000 0.000 0.663 31 G HN 0.326 nan 8.290 nan 0.000 0.493 32 R N 1.267 121.800 120.500 0.056 0.000 2.449 32 R HA 0.490 4.830 4.340 -0.000 0.000 0.296 32 R C 0.308 176.646 176.300 0.064 0.000 1.047 32 R CA 0.139 56.281 56.100 0.070 0.000 1.018 32 R CB 0.536 30.894 30.300 0.096 0.000 0.962 32 R HN 0.148 nan 8.270 nan 0.000 0.428 33 V N 5.014 124.969 119.914 0.069 0.000 2.461 33 V HA 0.594 4.714 4.120 -0.000 0.000 0.275 33 V C 0.490 176.701 176.094 0.194 0.000 1.047 33 V CA 0.088 62.442 62.300 0.089 0.000 0.955 33 V CB 0.895 32.730 31.823 0.020 0.000 0.988 33 V HN 0.985 nan 8.190 nan 0.000 0.471 34 A N 5.754 128.712 122.820 0.230 0.000 2.347 34 A HA 0.936 5.256 4.320 -0.000 0.000 0.301 34 A C -0.776 176.950 177.584 0.236 0.000 1.163 34 A CA -0.774 51.410 52.037 0.246 0.000 0.860 34 A CB 1.221 20.363 19.000 0.236 0.000 1.367 34 A HN 0.690 nan 8.150 nan 0.000 0.461 35 I N 0.542 121.183 120.570 0.118 0.000 2.418 35 I HA 0.349 4.519 4.170 -0.000 0.000 0.287 35 I C -0.577 175.531 176.117 -0.015 0.000 1.008 35 I CA -0.772 60.533 61.300 0.007 0.000 1.104 35 I CB 1.756 39.691 38.000 -0.109 0.000 1.264 35 I HN 0.354 nan 8.210 nan 0.000 0.438 36 V N 8.363 128.274 119.914 -0.005 0.000 2.498 36 V HA 0.451 4.571 4.120 -0.000 0.000 0.279 36 V C -0.349 175.707 176.094 -0.065 0.000 1.048 36 V CA -0.008 62.286 62.300 -0.009 0.000 0.967 36 V CB 1.599 33.426 31.823 0.007 0.000 0.988 36 V HN 0.459 nan 8.190 nan 0.000 0.473 37 V N 6.255 126.135 119.914 -0.057 0.000 2.540 37 V HA 0.700 4.820 4.120 -0.000 0.000 0.302 37 V C 0.619 176.667 176.094 -0.076 0.000 1.035 37 V CA -0.153 62.030 62.300 -0.194 0.000 0.873 37 V CB 1.666 33.144 31.823 -0.575 0.000 0.992 37 V HN 1.009 nan 8.190 nan 0.000 0.428 38 G N 2.534 111.289 108.800 -0.077 0.000 2.348 38 G HA2 0.629 4.589 3.960 -0.000 0.000 0.312 38 G HA3 0.629 4.589 3.960 -0.000 0.000 0.312 38 G C -0.246 174.689 174.900 0.058 0.000 1.126 38 G CA -0.122 44.985 45.100 0.011 0.000 0.865 38 G HN 1.200 nan 8.290 nan 0.000 0.474 39 A N 4.082 126.979 122.820 0.128 0.000 3.216 39 A HA 0.637 4.957 4.320 -0.000 0.000 0.321 39 A C -1.651 175.994 177.584 0.101 0.000 1.042 39 A CA -1.064 51.102 52.037 0.215 0.000 0.838 39 A CB 1.444 20.767 19.000 0.538 0.000 1.136 39 A HN 0.438 nan 8.150 nan 0.000 0.483 40 P HA -0.066 nan 4.420 nan 0.000 0.239 40 P C 0.612 177.880 177.300 -0.053 0.000 1.184 40 P CA 0.756 63.800 63.100 -0.092 0.000 0.760 40 P CB 0.160 31.694 31.700 -0.276 0.000 0.884 41 R N -1.067 119.426 120.500 -0.013 0.000 2.543 41 R HA 0.185 4.525 4.340 -0.000 0.000 0.323 41 R C 0.152 176.483 176.300 0.052 0.000 1.002 41 R CA -0.035 56.067 56.100 0.003 0.000 1.106 41 R CB 0.130 30.420 30.300 -0.017 0.000 1.280 41 R HN 0.066 nan 8.270 nan 0.000 0.549 42 T N 2.409 117.019 114.554 0.094 0.000 2.933 42 T HA 0.040 4.390 4.350 -0.000 0.000 0.306 42 T C 0.638 175.382 174.700 0.073 0.000 1.045 42 T CA 0.352 62.528 62.100 0.127 0.000 1.143 42 T CB 0.767 69.745 68.868 0.183 0.000 1.003 42 T HN 0.100 nan 8.240 nan 0.000 0.540 43 L N 3.009 124.275 121.223 0.071 0.000 2.410 43 L HA 0.342 4.682 4.340 -0.000 0.000 0.273 43 L C 1.519 178.414 176.870 0.042 0.000 1.152 43 L CA -0.511 54.357 54.840 0.047 0.000 0.855 43 L CB 0.169 42.253 42.059 0.043 0.000 1.129 43 L HN 0.805 nan 8.230 nan 0.000 0.463 44 G N 3.039 111.857 108.800 0.029 0.000 2.631 44 G HA2 0.136 4.096 3.960 -0.000 0.000 0.271 44 G HA3 0.136 4.096 3.960 -0.000 0.000 0.271 44 G C -1.434 173.481 174.900 0.024 0.000 1.302 44 G CA -0.655 44.458 45.100 0.022 0.000 1.002 44 G HN 0.602 nan 8.290 nan 0.000 0.519 45 P HA 0.047 nan 4.420 nan 0.000 0.234 45 P C 0.726 178.039 177.300 0.021 0.000 1.167 45 P CA 0.683 63.795 63.100 0.020 0.000 0.763 45 P CB 0.483 32.193 31.700 0.016 0.000 0.835 46 S N -0.396 115.318 115.700 0.022 0.000 2.624 46 S HA 0.172 4.642 4.470 -0.000 0.000 0.246 46 S C 0.384 174.997 174.600 0.021 0.000 1.072 46 S CA -0.361 57.852 58.200 0.021 0.000 1.045 46 S CB -0.165 63.049 63.200 0.023 0.000 0.851 46 S HN 0.106 nan 8.310 nan 0.000 0.480 47 Q N 0.690 120.503 119.800 0.022 0.000 2.480 47 Q HA -0.229 4.111 4.340 -0.000 0.000 0.265 47 Q C -0.192 175.819 176.000 0.020 0.000 1.072 47 Q CA 0.973 56.788 55.803 0.021 0.000 1.018 47 Q CB -0.927 27.821 28.738 0.017 0.000 1.433 47 Q HN 0.710 nan 8.270 nan 0.000 0.513 48 E N 0.389 120.603 120.200 0.023 0.000 2.187 48 E HA 0.255 4.605 4.350 -0.000 0.000 0.268 48 E C -0.881 175.734 176.600 0.025 0.000 0.896 48 E CA -0.533 55.881 56.400 0.023 0.000 0.766 48 E CB 1.119 30.836 29.700 0.028 0.000 1.142 48 E HN 0.140 nan 8.360 nan 0.000 0.408 49 E N 2.119 122.331 120.200 0.019 0.000 2.406 49 E HA -0.026 4.324 4.350 -0.000 0.000 0.258 49 E C 0.348 176.965 176.600 0.028 0.000 1.043 49 E CA 0.660 57.072 56.400 0.019 0.000 0.929 49 E CB 0.704 30.406 29.700 0.003 0.000 0.969 49 E HN 0.638 nan 8.360 nan 0.000 0.462 50 T N 0.088 114.658 114.554 0.026 0.000 2.966 50 T HA 0.354 4.704 4.350 -0.000 0.000 0.254 50 T C 0.825 175.525 174.700 0.000 0.000 0.961 50 T CA 0.108 62.223 62.100 0.025 0.000 0.915 50 T CB 0.694 69.570 68.868 0.013 0.000 1.186 50 T HN 0.682 nan 8.240 nan 0.000 0.505 51 G N -0.322 108.477 108.800 -0.001 0.000 2.746 51 G HA2 0.418 4.377 3.960 -0.000 0.000 0.685 51 G HA3 0.418 4.377 3.960 -0.000 0.000 0.685 51 G C -0.186 174.681 174.900 -0.055 0.000 1.350 51 G CA -0.454 44.636 45.100 -0.016 0.000 0.837 51 G HN 1.425 nan 8.290 nan 0.000 0.564 52 G N -2.004 106.762 108.800 -0.057 0.000 2.608 52 G HA2 0.850 4.810 3.960 -0.000 0.000 0.291 52 G HA3 0.850 4.810 3.960 -0.000 0.000 0.291 52 G C -1.364 173.430 174.900 -0.176 0.000 1.425 52 G CA 0.319 45.323 45.100 -0.160 0.000 0.787 52 G HN 1.718 nan 8.290 nan 0.000 0.484 53 V N -0.146 119.593 119.914 -0.292 0.000 2.789 53 V HA 0.720 4.840 4.120 -0.000 0.000 0.311 53 V C -1.279 174.561 176.094 -0.424 0.000 1.073 53 V CA -0.651 61.545 62.300 -0.173 0.000 0.921 53 V CB 1.652 33.513 31.823 0.064 0.000 1.009 53 V HN 0.590 nan 8.190 nan 0.000 0.426 54 F N 3.718 123.720 119.950 0.087 0.000 2.520 54 F HA 0.667 5.194 4.527 -0.000 0.000 0.322 54 F C -0.402 175.430 175.800 0.053 0.000 1.103 54 F CA -0.776 57.294 58.000 0.116 0.000 0.926 54 F CB 1.941 41.116 39.000 0.292 0.000 1.154 54 F HN 0.273 nan 8.300 nan 0.000 0.453 55 L N 4.175 125.514 121.223 0.193 0.000 2.277 55 L HA 0.521 4.861 4.340 -0.000 0.000 0.284 55 L C -1.028 175.908 176.870 0.111 0.000 1.028 55 L CA -0.553 54.347 54.840 0.099 0.000 0.835 55 L CB 0.237 42.315 42.059 0.031 0.000 1.215 55 L HN 0.680 nan 8.230 nan 0.000 0.425 56 c N 7.271 125.903 118.600 0.053 0.000 2.325 56 c HA 0.510 5.080 4.570 -0.000 0.000 0.347 56 c C -2.022 172.081 174.090 0.022 0.000 1.263 56 c CA -1.070 55.234 56.329 -0.042 0.000 1.806 56 c CB 0.358 42.620 42.510 -0.414 0.000 2.405 56 c HN 0.621 nan 8.230 nan 0.000 0.537 57 P HA 0.037 nan 4.420 nan 0.000 0.282 57 P C -0.335 177.137 177.300 0.286 0.000 1.249 57 P CA -0.407 62.804 63.100 0.184 0.000 0.806 57 P CB 0.683 32.472 31.700 0.148 0.000 0.984 58 W N 5.860 127.259 121.300 0.165 0.000 2.381 58 W HA 0.133 4.793 4.660 -0.000 0.000 0.321 58 W C -0.945 175.701 176.519 0.211 0.000 1.407 58 W CA -0.082 57.400 57.345 0.229 0.000 1.274 58 W CB 0.351 29.915 29.460 0.172 0.000 1.310 58 W HN 0.414 nan 8.180 nan 0.000 0.551 59 R N 4.149 124.215 120.500 -0.724 0.000 2.725 59 R HA 0.409 4.749 4.340 -0.000 0.000 0.277 59 R C 0.725 176.146 176.300 -1.466 0.000 0.987 59 R CA -0.286 55.225 56.100 -0.981 0.000 0.901 59 R CB 1.787 31.850 30.300 -0.395 0.000 1.207 59 R HN 0.529 nan 8.270 nan 0.000 0.463 60 A N 1.758 123.949 122.820 -1.049 0.000 1.930 60 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 60 A C 1.657 178.972 177.584 -0.449 0.000 1.175 60 A CA 1.565 53.220 52.037 -0.636 0.000 0.627 60 A CB -0.274 18.569 19.000 -0.263 0.000 0.815 60 A HN 0.838 nan 8.150 nan 0.000 0.443 61 E N -0.248 119.720 120.200 -0.387 0.000 2.358 61 E HA 0.245 4.594 4.350 -0.000 0.000 0.195 61 E C 1.241 177.632 176.600 -0.348 0.000 1.010 61 E CA 0.909 57.137 56.400 -0.287 0.000 0.856 61 E CB -0.852 28.730 29.700 -0.196 0.000 0.795 61 E HN 0.870 nan 8.360 nan 0.000 0.504 62 G N 0.912 109.398 108.800 -0.524 0.000 2.547 62 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.271 62 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.271 62 G C 0.593 175.265 174.900 -0.380 0.000 1.209 62 G CA 0.767 45.377 45.100 -0.816 0.000 0.959 62 G HN 1.248 nan 8.290 nan 0.000 0.563 63 G N -2.689 105.956 108.800 -0.258 0.000 2.341 63 G HA2 0.413 4.373 3.960 -0.000 0.000 0.196 63 G HA3 0.413 4.373 3.960 -0.000 0.000 0.196 63 G C -0.464 174.461 174.900 0.042 0.000 1.231 63 G CA 0.565 45.630 45.100 -0.057 0.000 1.155 63 G HN 1.416 nan 8.290 nan 0.000 0.529 64 Q N -0.400 119.410 119.800 0.016 0.000 2.260 64 Q HA 0.583 4.922 4.340 -0.000 0.000 0.242 64 Q C -0.178 175.863 176.000 0.068 0.000 0.932 64 Q CA -0.059 55.728 55.803 -0.026 0.000 0.891 64 Q CB 1.522 30.232 28.738 -0.048 0.000 1.222 64 Q HN 0.714 nan 8.270 nan 0.000 0.453 65 c N 2.684 121.302 118.600 0.030 0.000 2.529 65 c HA 0.619 5.189 4.570 -0.000 0.000 0.329 65 c C -1.992 172.243 174.090 0.242 0.000 1.194 65 c CA -1.198 55.227 56.329 0.159 0.000 1.779 65 c CB 1.491 44.142 42.510 0.235 0.000 2.322 65 c HN 0.695 nan 8.230 nan 0.000 0.500 66 P HA 0.181 nan 4.420 nan 0.000 0.278 66 P C -0.652 176.824 177.300 0.293 0.000 1.238 66 P CA 0.173 63.406 63.100 0.222 0.000 0.794 66 P CB 0.838 32.610 31.700 0.121 0.000 0.955 67 S N 1.805 117.611 115.700 0.178 0.000 2.499 67 S HA 0.231 4.701 4.470 -0.000 0.000 0.275 67 S C -0.081 174.425 174.600 -0.156 0.000 1.257 67 S CA -0.653 57.477 58.200 -0.116 0.000 1.050 67 S CB -0.407 62.680 63.200 -0.187 0.000 0.937 67 S HN 0.385 nan 8.310 nan 0.000 0.490 68 L N 7.330 128.414 121.223 -0.232 0.000 2.325 68 L HA 0.411 4.751 4.340 -0.000 0.000 0.284 68 L C -0.424 176.149 176.870 -0.495 0.000 1.089 68 L CA 0.142 54.803 54.840 -0.299 0.000 0.836 68 L CB 0.048 41.966 42.059 -0.236 0.000 1.184 68 L HN 0.648 nan 8.230 nan 0.000 0.444 69 L N 5.342 126.279 121.223 -0.477 0.000 2.426 69 L HA 0.251 4.591 4.340 -0.000 0.000 0.271 69 L C -0.667 175.763 176.870 -0.734 0.000 1.169 69 L CA 0.311 54.895 54.840 -0.426 0.000 0.836 69 L CB 0.334 42.252 42.059 -0.236 0.000 1.112 69 L HN 0.494 nan 8.230 nan 0.000 0.465 70 F N 0.098 119.968 119.950 -0.135 0.000 2.613 70 F HA 0.234 4.761 4.527 -0.000 0.000 0.310 70 F C 0.232 175.986 175.800 -0.077 0.000 1.085 70 F CA -1.085 56.835 58.000 -0.134 0.000 0.945 70 F CB 1.318 40.090 39.000 -0.380 0.000 1.298 70 F HN 0.370 nan 8.300 nan 0.000 0.455 71 D N 2.462 123.012 120.400 0.249 0.000 2.371 71 D HA 0.170 4.810 4.640 -0.000 0.000 0.256 71 D C 0.219 176.622 176.300 0.172 0.000 1.193 71 D CA 0.371 54.484 54.000 0.189 0.000 0.881 71 D CB 0.816 41.751 40.800 0.224 0.000 1.143 71 D HN 0.553 nan 8.370 nan 0.000 0.473 72 L N 3.752 125.034 121.223 0.097 0.000 2.857 72 L HA 0.239 4.579 4.340 -0.000 0.000 0.249 72 L C 1.011 177.933 176.870 0.087 0.000 1.172 72 L CA -0.275 54.612 54.840 0.078 0.000 0.980 72 L CB 0.215 42.292 42.059 0.029 0.000 1.299 72 L HN 0.067 nan 8.230 nan 0.000 0.535 73 R N 0.797 121.351 120.500 0.090 0.000 2.340 73 R HA 0.185 4.524 4.340 -0.000 0.000 0.300 73 R C -0.510 175.829 176.300 0.064 0.000 1.069 73 R CA -0.677 55.462 56.100 0.066 0.000 0.984 73 R CB 0.810 31.142 30.300 0.053 0.000 1.003 73 R HN -0.036 nan 8.270 nan 0.000 0.459 74 D N 2.249 122.667 120.400 0.030 0.000 2.400 74 D HA 0.024 4.664 4.640 -0.000 0.000 0.238 74 D C -0.173 176.099 176.300 -0.046 0.000 1.157 74 D CA 0.586 54.568 54.000 -0.031 0.000 0.889 74 D CB 0.679 41.416 40.800 -0.104 0.000 1.199 74 D HN 0.354 nan 8.370 nan 0.000 0.436 75 E N -0.266 119.886 120.200 -0.080 0.000 2.266 75 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 75 E C -0.871 175.661 176.600 -0.114 0.000 0.879 75 E CA -0.807 55.563 56.400 -0.050 0.000 0.762 75 E CB 2.021 31.735 29.700 0.023 0.000 1.199 75 E HN 0.161 nan 8.360 nan 0.000 0.422 76 T N 1.886 116.391 114.554 -0.083 0.000 2.886 76 T HA 0.500 4.850 4.350 -0.000 0.000 0.292 76 T C -0.948 173.724 174.700 -0.047 0.000 1.012 76 T CA -0.746 61.297 62.100 -0.096 0.000 0.982 76 T CB 1.254 70.066 68.868 -0.094 0.000 1.018 76 T HN 0.268 nan 8.240 nan 0.000 0.451 77 R N 2.740 123.215 120.500 -0.041 0.000 2.500 77 R HA 0.294 4.634 4.340 -0.000 0.000 0.299 77 R C -1.182 175.108 176.300 -0.017 0.000 1.038 77 R CA -0.649 55.444 56.100 -0.012 0.000 0.903 77 R CB 0.587 30.900 30.300 0.022 0.000 1.177 77 R HN 0.524 nan 8.270 nan 0.000 0.455 78 N N 3.662 122.353 118.700 -0.015 0.000 2.482 78 N HA 0.155 4.894 4.740 -0.000 0.000 0.242 78 N C -1.066 174.444 175.510 -0.001 0.000 1.100 78 N CA 0.018 53.061 53.050 -0.012 0.000 0.946 78 N CB 1.797 40.277 38.487 -0.012 0.000 1.227 78 N HN 0.247 nan 8.380 nan 0.000 0.508 79 V N 0.298 120.216 119.914 0.006 0.000 2.888 79 V HA 0.635 4.755 4.120 -0.000 0.000 0.309 79 V C 0.626 176.730 176.094 0.017 0.000 1.114 79 V CA -0.152 62.156 62.300 0.014 0.000 0.940 79 V CB 1.554 33.392 31.823 0.024 0.000 1.021 79 V HN 0.814 nan 8.190 nan 0.000 0.426 80 G N 4.349 113.159 108.800 0.016 0.000 2.273 80 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.280 80 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.280 80 G C 0.580 175.488 174.900 0.013 0.000 1.047 80 G CA 0.913 46.023 45.100 0.017 0.000 0.869 80 G HN 2.037 nan 8.290 nan 0.000 0.502 81 S N -2.026 113.679 115.700 0.008 0.000 3.587 81 S HA -0.212 4.258 4.470 -0.000 0.000 0.337 81 S C 0.595 175.197 174.600 0.004 0.000 1.119 81 S CA 2.180 60.383 58.200 0.005 0.000 0.976 81 S CB -0.908 62.295 63.200 0.005 0.000 0.922 81 S HN 1.135 nan 8.310 nan 0.000 0.503 82 Q N -0.762 119.040 119.800 0.003 0.000 2.528 82 Q HA 0.622 4.962 4.340 -0.000 0.000 0.289 82 Q C -0.805 175.185 176.000 -0.016 0.000 1.091 82 Q CA -0.846 54.956 55.803 -0.003 0.000 0.797 82 Q CB 1.953 30.696 28.738 0.008 0.000 1.466 82 Q HN 0.220 nan 8.270 nan 0.000 0.436 83 T N 1.509 116.039 114.554 -0.039 0.000 2.864 83 T HA 0.457 4.807 4.350 -0.000 0.000 0.299 83 T C -0.556 174.063 174.700 -0.135 0.000 1.011 83 T CA -0.527 61.534 62.100 -0.065 0.000 0.975 83 T CB 0.239 69.074 68.868 -0.056 0.000 0.962 83 T HN 0.257 nan 8.240 nan 0.000 0.448 84 L N 3.426 124.561 121.223 -0.147 0.000 2.334 84 L HA 0.561 4.901 4.340 -0.000 0.000 0.277 84 L C 0.268 176.925 176.870 -0.356 0.000 1.075 84 L CA -0.687 53.969 54.840 -0.308 0.000 0.804 84 L CB 0.788 42.813 42.059 -0.057 0.000 1.174 84 L HN 0.498 nan 8.230 nan 0.000 0.438 85 Q N 1.683 121.109 119.800 -0.623 0.000 2.271 85 Q HA 0.395 4.735 4.340 -0.000 0.000 0.268 85 Q C -0.849 174.880 176.000 -0.452 0.000 1.021 85 Q CA -0.688 54.812 55.803 -0.505 0.000 0.802 85 Q CB 2.845 31.336 28.738 -0.412 0.000 1.282 85 Q HN 0.732 nan 8.270 nan 0.000 0.431 86 T N -1.182 113.175 114.554 -0.329 0.000 2.895 86 T HA 0.766 5.116 4.350 -0.000 0.000 0.283 86 T C -0.627 173.838 174.700 -0.391 0.000 1.014 86 T CA -0.498 61.570 62.100 -0.053 0.000 1.037 86 T CB 0.616 69.572 68.868 0.148 0.000 1.006 86 T HN 0.330 nan 8.240 nan 0.000 0.468 87 F N 1.160 121.219 119.950 0.182 0.000 2.553 87 F HA 0.466 4.992 4.527 -0.000 0.000 0.335 87 F C 1.033 176.939 175.800 0.175 0.000 1.148 87 F CA -0.953 57.136 58.000 0.147 0.000 0.963 87 F CB 2.186 41.263 39.000 0.129 0.000 1.217 87 F HN 0.584 nan 8.300 nan 0.000 0.441 88 K N 1.721 122.284 120.400 0.272 0.000 2.374 88 K HA 0.383 4.702 4.320 -0.000 0.000 0.196 88 K C 0.611 177.324 176.600 0.188 0.000 1.023 88 K CA -0.152 56.273 56.287 0.229 0.000 1.103 88 K CB 0.636 33.249 32.500 0.189 0.000 0.848 88 K HN 0.564 nan 8.250 nan 0.000 0.528 89 A N 1.920 124.852 122.820 0.186 0.000 2.450 89 A HA 0.142 4.462 4.320 -0.000 0.000 0.255 89 A C 0.297 177.952 177.584 0.118 0.000 1.096 89 A CA -0.131 51.979 52.037 0.121 0.000 0.778 89 A CB 0.111 19.167 19.000 0.094 0.000 1.031 89 A HN 0.396 nan 8.150 nan 0.000 0.494 90 R N 0.640 121.189 120.500 0.082 0.000 3.863 90 R HA -0.250 4.090 4.340 -0.000 0.000 0.313 90 R C 1.055 177.458 176.300 0.171 0.000 1.202 90 R CA 1.502 57.642 56.100 0.067 0.000 0.852 90 R CB -2.489 27.816 30.300 0.008 0.000 1.292 90 R HN 1.092 nan 8.270 nan 0.000 0.519 91 Q N 0.172 120.098 119.800 0.210 0.000 2.369 91 Q HA 0.031 4.371 4.340 -0.000 0.000 0.206 91 Q C 1.090 177.283 176.000 0.322 0.000 0.963 91 Q CA 1.191 57.167 55.803 0.289 0.000 0.894 91 Q CB 0.149 29.021 28.738 0.224 0.000 0.965 91 Q HN 0.448 nan 8.270 nan 0.000 0.475 92 G N 1.869 110.817 108.800 0.246 0.000 2.298 92 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.287 92 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.287 92 G C -0.323 174.582 174.900 0.008 0.000 1.075 92 G CA 0.123 45.356 45.100 0.220 0.000 0.960 92 G HN 0.422 nan 8.290 nan 0.000 0.502 93 L N 0.115 121.312 121.223 -0.043 0.000 2.584 93 L HA 0.480 4.820 4.340 -0.000 0.000 0.272 93 L C 1.502 178.287 176.870 -0.143 0.000 1.195 93 L CA 1.893 56.640 54.840 -0.154 0.000 0.920 93 L CB 0.361 42.246 42.059 -0.290 0.000 1.173 93 L HN 1.702 nan 8.230 nan 0.000 0.489 94 G N 2.941 111.650 108.800 -0.152 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 0.875 175.733 174.900 -0.070 0.000 0.984 94 G CA 0.324 45.367 45.100 -0.095 0.000 0.660 94 G HN 1.278 nan 8.290 nan 0.000 0.525 95 A N -0.400 122.324 122.820 -0.160 0.000 2.019 95 A HA 0.479 4.798 4.320 -0.000 0.000 0.219 95 A C 1.640 179.224 177.584 0.000 0.000 1.164 95 A CA 2.314 54.236 52.037 -0.192 0.000 0.644 95 A CB -0.195 18.519 19.000 -0.477 0.000 0.805 95 A HN 2.156 nan 8.150 nan 0.000 0.449 96 S N -1.280 114.362 115.700 -0.097 0.000 2.548 96 S HA 0.600 5.070 4.470 -0.000 0.000 0.276 96 S C -0.837 173.726 174.600 -0.062 0.000 1.129 96 S CA -0.091 58.070 58.200 -0.066 0.000 0.931 96 S CB 1.518 64.645 63.200 -0.123 0.000 1.068 96 S HN 1.301 nan 8.310 nan 0.000 0.480 97 V N 0.124 120.017 119.914 -0.035 0.000 2.789 97 V HA 1.011 5.131 4.120 -0.000 0.000 0.311 97 V C -0.662 175.430 176.094 -0.002 0.000 1.073 97 V CA -0.739 61.548 62.300 -0.021 0.000 0.921 97 V CB 1.142 32.957 31.823 -0.013 0.000 1.009 97 V HN 1.218 nan 8.190 nan 0.000 0.426 98 V N 2.553 122.485 119.914 0.029 0.000 3.012 98 V HA 0.837 4.957 4.120 -0.000 0.000 0.307 98 V C -0.577 175.597 176.094 0.134 0.000 1.166 98 V CA 0.362 62.703 62.300 0.068 0.000 0.974 98 V CB 2.539 34.393 31.823 0.051 0.000 1.040 98 V HN 1.458 nan 8.190 nan 0.000 0.428 99 S N 4.932 120.746 115.700 0.190 0.000 2.503 99 S HA 0.794 5.264 4.470 -0.000 0.000 0.301 99 S C -1.804 173.000 174.600 0.340 0.000 1.087 99 S CA -0.441 57.930 58.200 0.286 0.000 1.042 99 S CB 1.383 64.794 63.200 0.351 0.000 1.043 99 S HN 0.994 nan 8.310 nan 0.000 0.489 100 W N 4.531 125.919 121.300 0.148 0.000 3.132 100 W HA 0.518 5.178 4.660 -0.000 0.000 0.337 100 W C 0.221 176.795 176.519 0.092 0.000 1.082 100 W CA 0.464 57.866 57.345 0.096 0.000 1.242 100 W CB 1.037 30.542 29.460 0.075 0.000 1.354 100 W HN 0.993 nan 8.180 nan 0.000 0.461 101 S N 2.963 118.204 115.700 -0.766 0.000 4.114 101 S HA -0.370 4.100 4.470 -0.000 0.000 0.618 101 S C 0.763 175.179 174.600 -0.307 0.000 1.937 101 S CA 2.218 59.968 58.200 -0.750 0.000 4.228 101 S CB -1.251 61.176 63.200 -1.287 0.000 0.216 101 S HN 0.966 nan 8.310 nan 0.000 0.528 102 D N 1.814 122.104 120.400 -0.184 0.000 2.358 102 D HA 0.412 5.052 4.640 -0.000 0.000 0.224 102 D C 0.185 176.614 176.300 0.216 0.000 1.123 102 D CA 0.106 54.123 54.000 0.029 0.000 0.833 102 D CB -0.113 40.663 40.800 -0.041 0.000 0.946 102 D HN 0.392 nan 8.370 nan 0.000 0.505 103 V N 0.847 120.919 119.914 0.262 0.000 2.581 103 V HA 0.403 4.522 4.120 -0.000 0.000 0.303 103 V C 0.092 176.378 176.094 0.321 0.000 1.041 103 V CA -0.882 61.614 62.300 0.325 0.000 0.907 103 V CB 2.217 34.307 31.823 0.445 0.000 0.994 103 V HN 0.067 nan 8.190 nan 0.000 0.442 104 I N 4.078 124.780 120.570 0.220 0.000 2.404 104 I HA 0.480 4.650 4.170 -0.000 0.000 0.293 104 I C -0.786 175.442 176.117 0.185 0.000 0.992 104 I CA -0.779 60.614 61.300 0.156 0.000 1.149 104 I CB 2.095 40.111 38.000 0.027 0.000 1.315 104 I HN 0.250 nan 8.210 nan 0.000 0.446 105 V N 5.858 125.853 119.914 0.135 0.000 2.350 105 V HA 0.621 4.741 4.120 -0.000 0.000 0.285 105 V C 0.139 176.241 176.094 0.013 0.000 1.014 105 V CA -0.472 61.871 62.300 0.070 0.000 0.831 105 V CB 1.304 33.156 31.823 0.050 0.000 1.000 105 V HN 0.809 nan 8.190 nan 0.000 0.433 106 A N 4.333 127.124 122.820 -0.049 0.000 2.330 106 A HA 0.778 5.098 4.320 -0.000 0.000 0.327 106 A C -0.448 177.066 177.584 -0.117 0.000 1.155 106 A CA -0.358 51.608 52.037 -0.117 0.000 0.803 106 A CB 1.115 19.987 19.000 -0.212 0.000 1.208 106 A HN 0.805 nan 8.150 nan 0.000 0.477 107 c N 1.307 119.838 118.600 -0.114 0.000 2.493 107 c HA 0.827 5.397 4.570 -0.000 0.000 0.326 107 c C 0.745 174.752 174.090 -0.138 0.000 1.200 107 c CA -0.281 55.983 56.329 -0.109 0.000 1.739 107 c CB 1.243 43.657 42.510 -0.159 0.000 2.300 107 c HN 1.020 nan 8.230 nan 0.000 0.500 108 A N 3.249 126.019 122.820 -0.084 0.000 2.644 108 A HA 0.581 4.901 4.320 -0.000 0.000 0.343 108 A C -1.959 175.476 177.584 -0.247 0.000 1.324 108 A CA -0.983 50.994 52.037 -0.100 0.000 0.846 108 A CB 0.150 19.220 19.000 0.116 0.000 1.128 108 A HN 0.662 nan 8.150 nan 0.000 0.484 109 P HA -0.088 nan 4.420 nan 0.000 0.222 109 P C 0.469 177.377 177.300 -0.652 0.000 1.147 109 P CA 1.060 63.709 63.100 -0.751 0.000 0.790 109 P CB 0.169 31.086 31.700 -1.306 0.000 0.780 110 W N -0.637 120.645 121.300 -0.030 0.000 2.966 110 W HA 0.333 4.993 4.660 -0.000 0.000 0.406 110 W C 0.365 176.913 176.519 0.050 0.000 1.027 110 W CA -0.467 56.869 57.345 -0.015 0.000 1.930 110 W CB -0.914 28.571 29.460 0.042 0.000 1.144 110 W HN 0.066 nan 8.180 nan 0.000 0.626 111 Q N 1.478 121.381 119.800 0.171 0.000 2.274 111 Q HA -0.035 4.305 4.340 -0.000 0.000 0.280 111 Q C -0.517 175.603 176.000 0.200 0.000 1.047 111 Q CA 0.819 56.758 55.803 0.227 0.000 0.907 111 Q CB 0.482 29.311 28.738 0.151 0.000 1.171 111 Q HN 0.137 nan 8.270 nan 0.000 0.381 112 H N 2.853 122.088 119.070 0.275 0.000 2.495 112 H HA 0.461 5.017 4.556 -0.000 0.000 0.350 112 H C -1.096 174.538 175.328 0.510 0.000 1.202 112 H CA -0.149 56.081 56.048 0.303 0.000 1.322 112 H CB 0.908 30.772 29.762 0.170 0.000 1.544 112 H HN 0.663 nan 8.280 nan 0.000 0.565 113 W N 2.075 123.578 121.300 0.338 0.000 3.256 113 W HA 0.369 5.029 4.660 -0.000 0.000 0.324 113 W C -1.898 174.782 176.519 0.267 0.000 1.196 113 W CA -0.424 57.087 57.345 0.276 0.000 1.206 113 W CB 2.174 31.677 29.460 0.071 0.000 1.385 113 W HN 0.540 nan 8.180 nan 0.000 0.522 114 N N 2.358 120.766 118.700 -0.488 0.000 2.494 114 N HA 0.618 5.358 4.740 -0.000 0.000 0.270 114 N C -2.201 172.861 175.510 -0.747 0.000 1.285 114 N CA -0.382 52.404 53.050 -0.439 0.000 0.812 114 N CB 2.635 41.107 38.487 -0.025 0.000 1.557 114 N HN 0.137 nan 8.380 nan 0.000 0.487 115 V N 2.353 122.036 119.914 -0.386 0.000 2.577 115 V HA 0.550 4.670 4.120 -0.000 0.000 0.303 115 V C -0.443 175.592 176.094 -0.098 0.000 1.042 115 V CA -0.686 61.464 62.300 -0.251 0.000 0.872 115 V CB 1.593 33.356 31.823 -0.100 0.000 0.998 115 V HN 0.473 nan 8.190 nan 0.000 0.423 116 L N 3.761 124.938 121.223 -0.078 0.000 2.334 116 L HA 0.730 5.070 4.340 -0.000 0.000 0.276 116 L C -0.238 176.622 176.870 -0.017 0.000 1.014 116 L CA -0.417 54.405 54.840 -0.031 0.000 0.815 116 L CB 2.014 44.059 42.059 -0.024 0.000 1.268 116 L HN 0.677 nan 8.230 nan 0.000 0.428 117 E N 3.647 123.846 120.200 -0.002 0.000 2.409 117 E HA 0.273 4.623 4.350 -0.000 0.000 0.259 117 E C -0.716 175.887 176.600 0.006 0.000 0.932 117 E CA -0.331 56.071 56.400 0.002 0.000 0.809 117 E CB 1.021 30.726 29.700 0.008 0.000 1.341 117 E HN 0.608 nan 8.360 nan 0.000 0.405 118 K N -0.082 120.320 120.400 0.004 0.000 1.699 118 K HA -0.299 4.021 4.320 -0.000 0.000 0.127 118 K C 1.028 177.633 176.600 0.008 0.000 1.157 118 K CA 2.303 58.593 56.287 0.005 0.000 0.341 118 K CB -1.482 31.022 32.500 0.006 0.000 0.645 118 K HN 0.631 nan 8.250 nan 0.000 0.848 119 T N 0.098 114.658 114.554 0.010 0.000 3.107 119 T HA 0.169 4.519 4.350 -0.000 0.000 0.249 119 T C 0.256 174.967 174.700 0.018 0.000 1.096 119 T CA 0.276 62.384 62.100 0.013 0.000 1.012 119 T CB -0.056 68.820 68.868 0.013 0.000 0.977 119 T HN 0.327 nan 8.240 nan 0.000 0.527 120 E N 1.145 121.357 120.200 0.019 0.000 2.264 120 E HA 0.602 4.952 4.350 -0.000 0.000 0.260 120 E C -0.497 176.119 176.600 0.028 0.000 0.961 120 E CA -1.003 55.414 56.400 0.028 0.000 0.834 120 E CB 1.428 31.146 29.700 0.030 0.000 1.230 120 E HN 0.683 nan 8.360 nan 0.000 0.412 121 E N -0.816 119.409 120.200 0.042 0.000 2.449 121 E HA 0.566 4.916 4.350 -0.000 0.000 0.278 121 E C -0.488 176.157 176.600 0.076 0.000 0.992 121 E CA -0.880 55.543 56.400 0.039 0.000 0.807 121 E CB 1.116 30.830 29.700 0.025 0.000 1.350 121 E HN 0.387 nan 8.360 nan 0.000 0.462 122 A N 0.949 123.814 122.820 0.075 0.000 2.067 122 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 122 A C -0.003 177.648 177.584 0.112 0.000 1.156 122 A CA 1.310 53.432 52.037 0.141 0.000 0.683 122 A CB -0.720 18.376 19.000 0.160 0.000 0.808 122 A HN 0.650 nan 8.150 nan 0.000 0.455 123 E N -1.603 118.641 120.200 0.073 0.000 7.552 123 E HA -0.088 4.262 4.350 -0.000 0.000 0.418 123 E C -0.724 175.914 176.600 0.063 0.000 0.537 123 E CA 0.073 56.516 56.400 0.072 0.000 1.114 123 E CB -0.424 29.343 29.700 0.113 0.000 0.948 123 E HN 0.478 nan 8.360 nan 0.000 0.262 124 K N 2.785 123.207 120.400 0.036 0.000 2.363 124 K HA 0.222 4.542 4.320 -0.000 0.000 0.289 124 K C -0.493 176.219 176.600 0.187 0.000 1.063 124 K CA 0.737 57.043 56.287 0.031 0.000 0.967 124 K CB 0.340 32.745 32.500 -0.159 0.000 0.987 124 K HN 0.482 nan 8.250 nan 0.000 0.473 125 T N 1.348 116.050 114.554 0.247 0.000 2.900 125 T HA 0.426 4.776 4.350 -0.000 0.000 0.303 125 T C -2.901 171.737 174.700 -0.104 0.000 1.142 125 T CA -2.053 60.158 62.100 0.185 0.000 1.007 125 T CB 1.928 70.850 68.868 0.090 0.000 1.156 125 T HN 0.326 nan 8.240 nan 0.000 0.490 126 P HA 0.222 nan 4.420 nan 0.000 0.247 126 P C 1.358 178.521 177.300 -0.227 0.000 1.756 126 P CA -0.520 62.263 63.100 -0.528 0.000 1.117 126 P CB 0.263 31.732 31.700 -0.387 0.000 1.869 127 V N 0.585 120.388 119.914 -0.185 0.000 2.667 127 V HA 0.209 4.329 4.120 -0.000 0.000 0.252 127 V C 1.015 176.951 176.094 -0.264 0.000 1.065 127 V CA 0.978 63.130 62.300 -0.246 0.000 1.083 127 V CB -1.886 29.755 31.823 -0.304 0.000 0.692 127 V HN 0.665 nan 8.190 nan 0.000 0.468 128 G N -0.437 108.237 108.800 -0.209 0.000 2.787 128 G HA2 0.087 4.047 3.960 -0.000 0.000 0.685 128 G HA3 0.087 4.047 3.960 -0.000 0.000 0.685 128 G C -0.383 174.365 174.900 -0.254 0.000 1.437 128 G CA 0.044 45.010 45.100 -0.224 0.000 0.872 128 G HN 1.537 nan 8.290 nan 0.000 0.566 129 S N -1.404 114.153 115.700 -0.238 0.000 2.547 129 S HA 0.661 5.131 4.470 -0.000 0.000 0.270 129 S C -0.527 173.906 174.600 -0.279 0.000 1.150 129 S CA 0.106 58.119 58.200 -0.312 0.000 0.850 129 S CB 1.306 64.298 63.200 -0.346 0.000 1.118 129 S HN 1.518 nan 8.310 nan 0.000 0.461 130 c N 3.361 121.771 118.600 -0.317 0.000 2.417 130 c HA 0.731 5.301 4.570 -0.000 0.000 0.324 130 c C -0.983 172.899 174.090 -0.347 0.000 1.240 130 c CA -0.699 55.507 56.329 -0.205 0.000 1.632 130 c CB -0.033 42.413 42.510 -0.106 0.000 2.241 130 c HN 0.747 nan 8.230 nan 0.000 0.499 131 F N 2.824 122.569 119.950 -0.342 0.000 2.420 131 F HA 0.671 5.198 4.527 -0.000 0.000 0.342 131 F C 0.019 175.644 175.800 -0.291 0.000 1.113 131 F CA -0.725 57.022 58.000 -0.421 0.000 1.059 131 F CB 0.697 39.160 39.000 -0.894 0.000 1.128 131 F HN 0.185 nan 8.300 nan 0.000 0.475 132 L N 3.226 124.430 121.223 -0.031 0.000 2.322 132 L HA 0.819 5.159 4.340 -0.000 0.000 0.281 132 L C -0.284 176.762 176.870 0.294 0.000 1.014 132 L CA -0.470 54.388 54.840 0.030 0.000 0.815 132 L CB 1.724 43.584 42.059 -0.333 0.000 1.247 132 L HN 0.750 nan 8.230 nan 0.000 0.421 133 A N 2.735 125.806 122.820 0.418 0.000 2.393 133 A HA 0.707 5.027 4.320 -0.000 0.000 0.306 133 A C -0.917 176.846 177.584 0.298 0.000 1.050 133 A CA -0.502 51.757 52.037 0.370 0.000 0.724 133 A CB 1.550 20.711 19.000 0.270 0.000 1.248 133 A HN 0.656 nan 8.150 nan 0.000 0.424 134 Q N 3.204 123.130 119.800 0.210 0.000 2.700 134 Q HA 0.331 4.671 4.340 -0.000 0.000 0.249 134 Q C -2.147 173.879 176.000 0.042 0.000 1.033 134 Q CA -1.960 53.901 55.803 0.096 0.000 0.804 134 Q CB 1.140 29.857 28.738 -0.036 0.000 1.164 134 Q HN 0.454 nan 8.270 nan 0.000 0.500 135 P HA -0.232 nan 4.420 nan 0.000 0.216 135 P C 0.184 177.497 177.300 0.022 0.000 1.157 135 P CA 1.508 64.610 63.100 0.005 0.000 0.880 135 P CB 0.287 31.989 31.700 0.003 0.000 0.791 136 E N -0.910 119.316 120.200 0.043 0.000 2.472 136 E HA -0.077 4.273 4.350 -0.000 0.000 0.200 136 E C 1.578 178.185 176.600 0.012 0.000 1.046 136 E CA 1.242 57.664 56.400 0.037 0.000 0.871 136 E CB -0.214 29.508 29.700 0.037 0.000 0.806 136 E HN 0.394 nan 8.360 nan 0.000 0.533 137 S N -2.091 113.608 115.700 -0.001 0.000 2.593 137 S HA 0.272 4.742 4.470 -0.000 0.000 0.235 137 S C 1.581 176.181 174.600 -0.001 0.000 1.059 137 S CA 0.305 58.499 58.200 -0.010 0.000 0.953 137 S CB 0.994 64.173 63.200 -0.034 0.000 0.897 137 S HN 0.265 nan 8.310 nan 0.000 0.507 138 G N 1.778 110.580 108.800 0.003 0.000 2.176 138 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.253 138 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.253 138 G C 0.121 175.043 174.900 0.037 0.000 0.979 138 G CA -0.015 45.088 45.100 0.005 0.000 0.641 138 G HN 0.585 nan 8.290 nan 0.000 0.530 139 R N 0.330 120.865 120.500 0.058 0.000 2.590 139 R HA 0.471 4.811 4.340 -0.000 0.000 0.274 139 R C 0.291 176.749 176.300 0.264 0.000 1.061 139 R CA 0.158 56.340 56.100 0.137 0.000 1.081 139 R CB 0.323 30.669 30.300 0.076 0.000 0.984 139 R HN 0.129 nan 8.270 nan 0.000 0.448 140 R N 0.665 121.342 120.500 0.295 0.000 2.686 140 R HA 0.655 4.995 4.340 -0.000 0.000 0.283 140 R C -1.049 175.317 176.300 0.109 0.000 0.978 140 R CA -0.806 55.449 56.100 0.257 0.000 0.897 140 R CB 2.305 32.722 30.300 0.195 0.000 1.192 140 R HN 0.742 nan 8.270 nan 0.000 0.457 141 A N 1.460 124.131 122.820 -0.247 0.000 2.564 141 A HA 0.763 5.083 4.320 -0.000 0.000 0.288 141 A C -1.243 175.805 177.584 -0.895 0.000 1.164 141 A CA -0.682 50.849 52.037 -0.844 0.000 0.712 141 A CB 2.040 20.436 19.000 -1.007 0.000 1.303 141 A HN 0.636 nan 8.150 nan 0.000 0.418 142 E N -0.957 118.544 120.200 -1.164 0.000 2.393 142 E HA 0.540 4.890 4.350 -0.000 0.000 0.273 142 E C -2.202 174.394 176.600 -0.007 0.000 0.918 142 E CA -0.556 55.499 56.400 -0.574 0.000 0.773 142 E CB 2.647 32.021 29.700 -0.543 0.000 1.275 142 E HN 0.522 nan 8.360 nan 0.000 0.451 143 Y N 0.448 120.638 120.300 -0.184 0.000 2.396 143 Y HA 0.402 4.952 4.550 -0.000 0.000 0.332 143 Y C -1.204 174.529 175.900 -0.279 0.000 1.034 143 Y CA -0.848 57.171 58.100 -0.136 0.000 1.057 143 Y CB 2.129 40.486 38.460 -0.171 0.000 1.220 143 Y HN 0.418 nan 8.280 nan 0.000 0.440 144 S N 8.221 123.481 115.700 -0.732 0.000 2.440 144 S HA 0.303 4.772 4.470 -0.000 0.000 0.142 144 S C -2.346 171.720 174.600 -0.889 0.000 1.578 144 S CA -0.936 56.819 58.200 -0.742 0.000 1.260 144 S CB 0.514 63.385 63.200 -0.549 0.000 1.407 144 S HN 0.599 nan 8.310 nan 0.000 0.392 145 P HA 0.135 nan 4.420 nan 0.000 0.237 145 P C 0.821 177.786 177.300 -0.559 0.000 1.178 145 P CA 0.441 63.056 63.100 -0.808 0.000 0.766 145 P CB -0.189 31.026 31.700 -0.808 0.000 0.876 146 c N -0.814 117.453 118.600 -0.555 0.000 2.799 146 c HA 0.244 4.814 4.570 -0.000 0.000 0.267 146 c C 1.339 175.134 174.090 -0.491 0.000 1.257 146 c CA -0.430 55.628 56.329 -0.452 0.000 1.702 146 c CB -1.051 41.207 42.510 -0.421 0.000 1.934 146 c HN 0.186 nan 8.230 nan 0.000 0.594 147 R N 1.298 121.373 120.500 -0.708 0.000 2.585 147 R HA 0.404 4.744 4.340 -0.000 0.000 0.275 147 R C 0.526 176.520 176.300 -0.511 0.000 1.018 147 R CA 0.636 56.123 56.100 -1.023 0.000 1.072 147 R CB 0.192 29.515 30.300 -1.629 0.000 0.953 147 R HN 0.528 nan 8.270 nan 0.000 0.419 148 G N 0.552 109.264 108.800 -0.148 0.000 2.798 148 G HA2 0.226 4.186 3.960 -0.000 0.000 0.286 148 G HA3 0.226 4.186 3.960 -0.000 0.000 0.286 148 G C -0.647 174.449 174.900 0.327 0.000 1.389 148 G CA -0.735 44.418 45.100 0.088 0.000 0.894 148 G HN 0.690 nan 8.290 nan 0.000 0.488 149 N N -0.905 117.920 118.700 0.207 0.000 2.433 149 N HA 0.165 4.905 4.740 -0.000 0.000 0.270 149 N C -0.354 175.225 175.510 0.116 0.000 1.354 149 N CA -0.359 52.806 53.050 0.191 0.000 0.889 149 N CB 0.776 39.349 38.487 0.143 0.000 1.285 149 N HN 0.221 nan 8.380 nan 0.000 0.503 150 T N 1.399 116.029 114.554 0.127 0.000 2.806 150 T HA 0.399 4.749 4.350 -0.000 0.000 0.290 150 T C 0.468 175.243 174.700 0.125 0.000 0.966 150 T CA -0.489 61.622 62.100 0.018 0.000 1.060 150 T CB 1.247 69.979 68.868 -0.227 0.000 0.927 150 T HN 0.116 nan 8.240 nan 0.000 0.485 151 L N 1.985 123.238 121.223 0.051 0.000 2.418 151 L HA 0.241 4.581 4.340 -0.000 0.000 0.265 151 L C 2.064 179.044 176.870 0.185 0.000 1.143 151 L CA -0.405 54.500 54.840 0.108 0.000 0.809 151 L CB 0.700 42.790 42.059 0.051 0.000 1.124 151 L HN 0.700 nan 8.230 nan 0.000 0.456 152 S N 1.301 117.135 115.700 0.223 0.000 2.381 152 S HA -0.287 4.183 4.470 -0.000 0.000 0.230 152 S C 2.047 176.759 174.600 0.187 0.000 1.052 152 S CA 2.246 60.602 58.200 0.260 0.000 1.068 152 S CB -0.218 63.086 63.200 0.174 0.000 0.918 152 S HN 0.697 nan 8.310 nan 0.000 0.448 153 R N 0.138 120.694 120.500 0.093 0.000 2.103 153 R HA -0.095 4.245 4.340 -0.000 0.000 0.242 153 R C 2.079 178.362 176.300 -0.029 0.000 1.142 153 R CA 1.966 58.084 56.100 0.031 0.000 0.960 153 R CB -0.361 29.951 30.300 0.019 0.000 0.858 153 R HN 0.420 nan 8.270 nan 0.000 0.439 154 I N 0.327 120.859 120.570 -0.064 0.000 2.315 154 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 154 I C 1.877 177.858 176.117 -0.227 0.000 1.117 154 I CA 1.300 62.504 61.300 -0.159 0.000 1.404 154 I CB -1.309 36.556 38.000 -0.226 0.000 1.071 154 I HN 0.183 nan 8.210 nan 0.000 0.419 155 Y N 0.753 120.962 120.300 -0.151 0.000 2.145 155 Y HA -0.174 4.375 4.550 -0.000 0.000 0.286 155 Y C 2.726 178.218 175.900 -0.679 0.000 1.145 155 Y CA 1.261 59.181 58.100 -0.299 0.000 1.148 155 Y CB -1.078 37.256 38.460 -0.210 0.000 0.981 155 Y HN -0.107 nan 8.280 nan 0.000 0.507 156 V N 0.141 119.762 119.914 -0.488 0.000 2.295 156 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 156 V C 1.949 177.898 176.094 -0.241 0.000 1.049 156 V CA 2.130 64.118 62.300 -0.519 0.000 1.024 156 V CB -0.588 31.146 31.823 -0.148 0.000 0.648 156 V HN 0.423 nan 8.190 nan 0.000 0.447 157 E N 0.328 120.441 120.200 -0.144 0.000 2.265 157 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 157 E C 0.956 177.514 176.600 -0.069 0.000 0.996 157 E CA 0.876 57.228 56.400 -0.079 0.000 0.832 157 E CB -0.106 29.557 29.700 -0.061 0.000 0.756 157 E HN 0.575 nan 8.360 nan 0.000 0.491 158 N N 1.108 119.750 118.700 -0.098 0.000 2.275 158 N HA -0.002 4.738 4.740 -0.000 0.000 0.236 158 N C -0.902 174.604 175.510 -0.006 0.000 1.154 158 N CA 0.168 53.197 53.050 -0.036 0.000 0.866 158 N CB 0.737 39.215 38.487 -0.015 0.000 1.093 158 N HN -0.005 nan 8.380 nan 0.000 0.515 159 D N 0.623 121.002 120.400 -0.035 0.000 2.708 159 D HA -0.232 4.408 4.640 -0.000 0.000 0.236 159 D C -0.375 176.058 176.300 0.221 0.000 1.146 159 D CA 0.498 54.556 54.000 0.096 0.000 0.662 159 D CB -1.688 39.168 40.800 0.092 0.000 1.059 159 D HN 0.321 nan 8.370 nan 0.000 0.428 160 F N -1.783 118.246 119.950 0.131 0.000 3.091 160 F HA -0.295 4.232 4.527 -0.000 0.000 0.288 160 F C 1.217 177.115 175.800 0.162 0.000 0.907 160 F CA 0.914 59.035 58.000 0.202 0.000 1.028 160 F CB -2.321 36.727 39.000 0.081 0.000 1.022 160 F HN 0.149 nan 8.300 nan 0.000 0.665 161 S N -1.958 113.885 115.700 0.237 0.000 2.586 161 S HA 0.447 4.916 4.470 -0.000 0.000 0.274 161 S C 0.096 174.856 174.600 0.267 0.000 1.281 161 S CA -0.175 58.075 58.200 0.083 0.000 1.035 161 S CB 0.630 63.863 63.200 0.054 0.000 0.962 161 S HN 0.473 nan 8.310 nan 0.000 0.512 162 W N -0.241 121.159 121.300 0.166 0.000 6.170 162 W HA -0.163 4.497 4.660 -0.000 0.000 0.394 162 W C -0.271 176.492 176.519 0.407 0.000 1.480 162 W CA 0.625 58.135 57.345 0.275 0.000 1.027 162 W CB -1.797 27.757 29.460 0.156 0.000 2.638 162 W HN 0.814 nan 8.180 nan 0.000 1.547 163 D N 1.094 121.792 120.400 0.497 0.000 2.411 163 D HA 0.175 4.815 4.640 -0.000 0.000 0.225 163 D C 0.853 177.144 176.300 -0.014 0.000 1.156 163 D CA -0.027 54.133 54.000 0.266 0.000 0.874 163 D CB 0.589 41.560 40.800 0.286 0.000 1.034 163 D HN 0.264 nan 8.370 nan 0.000 0.502 164 K N 2.643 122.972 120.400 -0.118 0.000 2.410 164 K HA 0.169 4.489 4.320 -0.000 0.000 0.200 164 K C 1.508 177.804 176.600 -0.506 0.000 1.023 164 K CA -0.223 55.872 56.287 -0.321 0.000 1.149 164 K CB 0.822 33.181 32.500 -0.235 0.000 0.859 164 K HN 0.215 nan 8.250 nan 0.000 0.514 165 R N 0.048 120.061 120.500 -0.812 0.000 2.189 165 R HA -0.105 4.235 4.340 -0.000 0.000 0.223 165 R C 0.506 176.277 176.300 -0.881 0.000 1.092 165 R CA 1.239 56.800 56.100 -0.897 0.000 0.989 165 R CB 0.006 29.635 30.300 -1.118 0.000 0.876 165 R HN 0.300 nan 8.270 nan 0.000 0.457 166 Y N -3.105 116.974 120.300 -0.368 0.000 2.660 166 Y HA 0.217 4.767 4.550 -0.000 0.000 0.254 166 Y C 1.641 177.317 175.900 -0.373 0.000 1.176 166 Y CA -1.256 56.606 58.100 -0.396 0.000 1.195 166 Y CB -0.780 37.285 38.460 -0.660 0.000 1.190 166 Y HN -0.082 nan 8.280 nan 0.000 0.535 167 c N 1.019 119.430 118.600 -0.314 0.000 2.353 167 c HA -0.306 4.263 4.570 -0.000 0.000 0.272 167 c C 1.389 175.349 174.090 -0.216 0.000 1.165 167 c CA 2.174 58.329 56.329 -0.291 0.000 1.786 167 c CB -0.845 41.463 42.510 -0.336 0.000 2.071 167 c HN 0.732 nan 8.230 nan 0.000 0.451 168 E N -0.710 119.372 120.200 -0.197 0.000 2.252 168 E HA -0.222 4.127 4.350 -0.000 0.000 0.218 168 E C 0.144 176.618 176.600 -0.209 0.000 1.253 168 E CA 0.028 56.314 56.400 -0.190 0.000 0.705 168 E CB -1.435 28.214 29.700 -0.084 0.000 1.172 168 E HN 0.791 nan 8.360 nan 0.000 0.369 169 A N 0.196 122.864 122.820 -0.253 0.000 2.531 169 A HA 0.394 4.714 4.320 -0.000 0.000 0.236 169 A C 1.691 179.136 177.584 -0.231 0.000 1.062 169 A CA 0.968 52.853 52.037 -0.253 0.000 0.760 169 A CB 0.194 18.994 19.000 -0.333 0.000 0.995 169 A HN 1.153 nan 8.150 nan 0.000 0.501 170 G N 0.634 109.326 108.800 -0.181 0.000 2.159 170 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.256 170 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.256 170 G C 0.670 175.458 174.900 -0.185 0.000 0.977 170 G CA 0.845 45.842 45.100 -0.171 0.000 0.652 170 G HN 1.275 nan 8.290 nan 0.000 0.531 171 F N 2.400 122.148 119.950 -0.336 0.000 2.126 171 F HA 0.131 4.658 4.527 -0.000 0.000 0.299 171 F C 1.692 177.327 175.800 -0.275 0.000 1.096 171 F CA 2.299 60.078 58.000 -0.368 0.000 1.255 171 F CB 0.051 38.842 39.000 -0.349 0.000 0.997 171 F HN 0.601 nan 8.300 nan 0.000 0.479 172 S N -0.911 114.813 115.700 0.040 0.000 2.599 172 S HA 0.708 5.177 4.470 -0.000 0.000 0.287 172 S C -0.616 173.935 174.600 -0.082 0.000 1.105 172 S CA -0.105 58.069 58.200 -0.043 0.000 0.899 172 S CB 1.892 65.087 63.200 -0.008 0.000 1.100 172 S HN 0.406 nan 8.310 nan 0.000 0.482 173 S N 0.014 115.661 115.700 -0.089 0.000 2.537 173 S HA 0.835 5.304 4.470 -0.000 0.000 0.270 173 S C -1.238 173.315 174.600 -0.078 0.000 1.142 173 S CA -0.722 57.425 58.200 -0.089 0.000 0.870 173 S CB 1.272 64.427 63.200 -0.076 0.000 1.112 173 S HN 1.770 nan 8.310 nan 0.000 0.466 174 V N 1.363 121.224 119.914 -0.089 0.000 3.147 174 V HA 0.821 4.941 4.120 -0.000 0.000 0.306 174 V C -1.717 174.328 176.094 -0.081 0.000 1.209 174 V CA -0.551 61.710 62.300 -0.065 0.000 1.023 174 V CB 2.205 33.985 31.823 -0.072 0.000 1.059 174 V HN 1.088 nan 8.190 nan 0.000 0.435 175 V N 3.528 123.415 119.914 -0.045 0.000 2.588 175 V HA 0.561 4.681 4.120 -0.000 0.000 0.304 175 V C 0.375 176.421 176.094 -0.079 0.000 1.042 175 V CA -0.082 62.150 62.300 -0.114 0.000 0.877 175 V CB 1.996 33.754 31.823 -0.109 0.000 0.996 175 V HN 1.106 nan 8.190 nan 0.000 0.425 176 T N 1.277 115.754 114.554 -0.129 0.000 2.766 176 T HA 0.131 4.481 4.350 -0.000 0.000 0.295 176 T C 0.920 175.615 174.700 -0.009 0.000 1.024 176 T CA -0.276 61.805 62.100 -0.031 0.000 1.018 176 T CB 0.808 69.672 68.868 -0.006 0.000 1.002 176 T HN 0.566 nan 8.240 nan 0.000 0.532 177 Q N 0.387 120.259 119.800 0.119 0.000 2.167 177 Q HA -0.019 4.320 4.340 -0.000 0.000 0.202 177 Q C 2.572 178.756 176.000 0.307 0.000 0.970 177 Q CA 1.632 57.594 55.803 0.266 0.000 0.855 177 Q CB -0.922 27.927 28.738 0.186 0.000 0.911 177 Q HN 0.923 nan 8.270 nan 0.000 0.438 178 A N -0.063 122.822 122.820 0.109 0.000 2.119 178 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 178 A C 1.463 178.989 177.584 -0.096 0.000 1.153 178 A CA 1.315 53.396 52.037 0.074 0.000 0.692 178 A CB -0.185 18.824 19.000 0.015 0.000 0.799 178 A HN 0.452 nan 8.150 nan 0.000 0.458 179 G N -0.803 107.679 108.800 -0.530 0.000 2.141 179 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.164 179 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.164 179 G C -0.459 173.990 174.900 -0.753 0.000 1.009 179 G CA 0.024 44.310 45.100 -1.357 0.000 0.677 179 G HN 0.498 nan 8.290 nan 0.000 0.508 180 E N 0.055 119.986 120.200 -0.449 0.000 2.152 180 E HA 0.543 4.892 4.350 -0.000 0.000 0.285 180 E C 0.285 176.709 176.600 -0.293 0.000 1.043 180 E CA -0.699 55.525 56.400 -0.293 0.000 0.839 180 E CB 1.659 31.271 29.700 -0.147 0.000 1.069 180 E HN 0.313 nan 8.360 nan 0.000 0.399 181 L N 4.550 125.605 121.223 -0.280 0.000 2.319 181 L HA 0.257 4.597 4.340 -0.000 0.000 0.280 181 L C -1.118 175.646 176.870 -0.176 0.000 1.099 181 L CA -0.260 54.451 54.840 -0.215 0.000 0.828 181 L CB 0.840 42.780 42.059 -0.198 0.000 1.150 181 L HN 0.314 nan 8.230 nan 0.000 0.442 182 V N 6.846 126.651 119.914 -0.182 0.000 2.409 182 V HA 0.441 4.561 4.120 -0.000 0.000 0.291 182 V C 0.039 176.039 176.094 -0.158 0.000 1.020 182 V CA -0.633 61.536 62.300 -0.217 0.000 0.848 182 V CB 1.399 32.970 31.823 -0.420 0.000 0.990 182 V HN 0.619 nan 8.190 nan 0.000 0.430 183 L N 3.870 125.026 121.223 -0.112 0.000 2.317 183 L HA 0.734 5.074 4.340 -0.000 0.000 0.281 183 L C 0.803 177.589 176.870 -0.141 0.000 1.024 183 L CA -0.486 54.287 54.840 -0.112 0.000 0.810 183 L CB 1.786 43.790 42.059 -0.092 0.000 1.240 183 L HN 0.759 nan 8.230 nan 0.000 0.427 184 G N 1.587 110.307 108.800 -0.133 0.000 2.338 184 G HA2 0.564 4.524 3.960 -0.000 0.000 0.298 184 G HA3 0.564 4.524 3.960 -0.000 0.000 0.298 184 G C -0.434 174.395 174.900 -0.119 0.000 1.140 184 G CA -0.242 44.777 45.100 -0.135 0.000 0.860 184 G HN 0.721 nan 8.290 nan 0.000 0.470 185 A N 4.813 127.550 122.820 -0.138 0.000 2.893 185 A HA 0.657 4.976 4.320 -0.000 0.000 0.333 185 A C -1.562 175.933 177.584 -0.148 0.000 1.152 185 A CA -1.177 50.758 52.037 -0.170 0.000 0.782 185 A CB 1.579 20.450 19.000 -0.214 0.000 1.108 185 A HN 0.439 nan 8.150 nan 0.000 0.469 186 P HA -0.045 nan 4.420 nan 0.000 0.230 186 P C 1.264 178.600 177.300 0.061 0.000 1.158 186 P CA 1.516 64.558 63.100 -0.096 0.000 0.769 186 P CB 0.208 31.664 31.700 -0.406 0.000 0.807 187 G N -0.280 108.481 108.800 -0.064 0.000 3.042 187 G HA2 0.173 4.133 3.960 -0.000 0.000 0.212 187 G HA3 0.173 4.133 3.960 -0.000 0.000 0.212 187 G C 0.834 175.584 174.900 -0.250 0.000 1.166 187 G CA 0.028 45.073 45.100 -0.092 0.000 0.767 187 G HN 0.385 nan 8.290 nan 0.000 0.546 188 G N -0.736 107.945 108.800 -0.199 0.000 2.491 188 G HA2 0.305 4.265 3.960 -0.000 0.000 0.238 188 G HA3 0.305 4.265 3.960 -0.000 0.000 0.238 188 G C 0.031 174.804 174.900 -0.212 0.000 1.277 188 G CA -0.385 44.499 45.100 -0.360 0.000 0.851 188 G HN 0.381 nan 8.290 nan 0.000 0.573 189 Y N -0.796 119.460 120.300 -0.074 0.000 3.078 189 Y HA -0.227 4.323 4.550 -0.000 0.000 0.202 189 Y C 0.704 176.633 175.900 0.048 0.000 1.322 189 Y CA 0.734 58.809 58.100 -0.041 0.000 1.118 189 Y CB -2.857 35.529 38.460 -0.123 0.000 1.343 189 Y HN 0.870 nan 8.280 nan 0.000 0.499 190 Y N -1.243 119.063 120.300 0.011 0.000 3.125 190 Y HA -0.226 4.324 4.550 -0.000 0.000 0.200 190 Y C 0.761 176.650 175.900 -0.018 0.000 1.373 190 Y CA 0.935 58.990 58.100 -0.075 0.000 1.180 190 Y CB -1.820 36.629 38.460 -0.018 0.000 1.381 190 Y HN 0.449 nan 8.280 nan 0.000 0.501 191 F N -3.824 116.225 119.950 0.165 0.000 2.794 191 F HA -0.421 4.106 4.527 -0.000 0.000 0.335 191 F C 1.249 177.172 175.800 0.206 0.000 0.653 191 F CA 0.680 58.803 58.000 0.204 0.000 1.266 191 F CB -1.939 37.185 39.000 0.208 0.000 1.666 191 F HN 0.222 nan 8.300 nan 0.000 0.314 192 L N -0.043 121.350 121.223 0.284 0.000 1.994 192 L HA 0.324 4.664 4.340 -0.000 0.000 0.208 192 L C 1.671 178.751 176.870 0.349 0.000 1.071 192 L CA 2.056 57.067 54.840 0.286 0.000 0.745 192 L CB -1.029 41.170 42.059 0.234 0.000 0.892 192 L HN 0.588 nan 8.230 nan 0.000 0.431 193 G N -1.046 107.922 108.800 0.279 0.000 2.576 193 G HA2 0.305 4.264 3.960 -0.000 0.000 0.686 193 G HA3 0.305 4.264 3.960 -0.000 0.000 0.686 193 G C -1.512 173.566 174.900 0.296 0.000 1.242 193 G CA -0.486 44.792 45.100 0.296 0.000 0.819 193 G HN 0.476 nan 8.290 nan 0.000 0.655 194 L N -1.370 119.975 121.223 0.203 0.000 2.568 194 L HA 1.007 5.347 4.340 -0.000 0.000 0.257 194 L C -1.184 175.751 176.870 0.109 0.000 1.024 194 L CA -1.440 53.505 54.840 0.175 0.000 0.854 194 L CB 1.507 43.404 42.059 -0.270 0.000 1.460 194 L HN 0.782 nan 8.230 nan 0.000 0.409 195 L N 1.583 122.840 121.223 0.058 0.000 2.346 195 L HA 0.954 5.294 4.340 -0.000 0.000 0.274 195 L C -0.182 176.605 176.870 -0.138 0.000 1.007 195 L CA -0.254 54.530 54.840 -0.092 0.000 0.818 195 L CB 1.821 43.842 42.059 -0.062 0.000 1.284 195 L HN 1.013 nan 8.230 nan 0.000 0.424 196 A N 3.306 126.077 122.820 -0.081 0.000 2.330 196 A HA 0.709 5.029 4.320 -0.000 0.000 0.313 196 A C -1.021 176.604 177.584 0.068 0.000 1.124 196 A CA -0.493 51.539 52.037 -0.009 0.000 0.774 196 A CB 1.311 20.264 19.000 -0.078 0.000 1.198 196 A HN 0.560 nan 8.150 nan 0.000 0.465 197 Q N 1.539 121.409 119.800 0.116 0.000 2.342 197 Q HA 0.761 5.101 4.340 -0.000 0.000 0.267 197 Q C -1.275 174.717 176.000 -0.014 0.000 1.038 197 Q CA -0.470 55.351 55.803 0.030 0.000 0.832 197 Q CB 2.067 30.834 28.738 0.047 0.000 1.323 197 Q HN 1.289 nan 8.270 nan 0.000 0.448 198 A N 4.401 127.123 122.820 -0.163 0.000 2.566 198 A HA 0.633 4.953 4.320 -0.000 0.000 0.297 198 A C -2.812 174.604 177.584 -0.280 0.000 1.059 198 A CA -1.222 50.657 52.037 -0.264 0.000 0.691 198 A CB 1.639 20.312 19.000 -0.546 0.000 1.282 198 A HN 0.546 nan 8.150 nan 0.000 0.401 199 P HA 0.215 nan 4.420 nan 0.000 0.268 199 P C 1.136 178.322 177.300 -0.190 0.000 1.204 199 P CA -0.088 62.895 63.100 -0.195 0.000 0.768 199 P CB 0.803 32.433 31.700 -0.117 0.000 0.842 200 V N 3.544 123.334 119.914 -0.206 0.000 2.324 200 V HA -0.330 3.790 4.120 -0.000 0.000 0.250 200 V C 2.393 178.577 176.094 0.150 0.000 1.060 200 V CA 2.769 65.035 62.300 -0.056 0.000 1.042 200 V CB -1.583 30.233 31.823 -0.012 0.000 0.650 200 V HN 0.669 nan 8.190 nan 0.000 0.450 201 A N 0.004 122.898 122.820 0.123 0.000 1.917 201 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 201 A C 1.968 179.645 177.584 0.155 0.000 1.182 201 A CA 2.344 54.483 52.037 0.169 0.000 0.633 201 A CB -0.661 18.399 19.000 0.101 0.000 0.819 201 A HN 0.567 nan 8.150 nan 0.000 0.448 202 D N -0.329 120.110 120.400 0.065 0.000 2.183 202 D HA -0.032 4.608 4.640 -0.000 0.000 0.203 202 D C 1.828 178.170 176.300 0.070 0.000 0.969 202 D CA 0.762 54.796 54.000 0.056 0.000 0.842 202 D CB -0.323 40.481 40.800 0.007 0.000 0.957 202 D HN 0.531 nan 8.370 nan 0.000 0.484 203 I N 0.014 120.575 120.570 -0.015 0.000 2.163 203 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 203 I C 1.997 178.123 176.117 0.015 0.000 1.085 203 I CA 0.920 62.190 61.300 -0.051 0.000 1.347 203 I CB -0.194 37.634 38.000 -0.287 0.000 1.044 203 I HN -0.093 nan 8.210 nan 0.000 0.408 204 F N 1.142 121.124 119.950 0.053 0.000 2.146 204 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 204 F C 2.905 178.754 175.800 0.081 0.000 1.096 204 F CA 1.786 59.828 58.000 0.070 0.000 1.275 204 F CB -0.575 38.460 39.000 0.059 0.000 1.008 204 F HN 0.106 nan 8.300 nan 0.000 0.480 205 S N -1.487 114.364 115.700 0.253 0.000 2.489 205 S HA -0.067 4.402 4.470 -0.000 0.000 0.228 205 S C 1.682 176.349 174.600 0.111 0.000 0.995 205 S CA 0.682 58.977 58.200 0.158 0.000 0.934 205 S CB -0.656 62.616 63.200 0.121 0.000 0.771 205 S HN 0.332 nan 8.310 nan 0.000 0.522 206 S N -0.682 115.098 115.700 0.134 0.000 2.540 206 S HA 0.263 4.733 4.470 -0.000 0.000 0.218 206 S C -0.005 174.522 174.600 -0.121 0.000 0.977 206 S CA -0.783 57.488 58.200 0.118 0.000 0.918 206 S CB -0.611 62.766 63.200 0.296 0.000 0.806 206 S HN 0.573 nan 8.310 nan 0.000 0.496 207 Y N 2.987 123.114 120.300 -0.288 0.000 2.313 207 Y HA 0.651 5.201 4.550 -0.000 0.000 0.332 207 Y C -0.055 175.579 175.900 -0.444 0.000 1.071 207 Y CA -0.828 56.881 58.100 -0.652 0.000 1.169 207 Y CB 0.561 38.743 38.460 -0.463 0.000 1.192 207 Y HN 0.001 nan 8.280 nan 0.000 0.487 208 R N 6.016 125.709 120.500 -1.345 0.000 2.744 208 R HA 0.428 4.768 4.340 -0.000 0.000 0.279 208 R C -2.993 172.520 176.300 -1.312 0.000 0.977 208 R CA -2.573 52.916 56.100 -1.017 0.000 0.906 208 R CB 1.333 31.327 30.300 -0.511 0.000 1.197 208 R HN 0.530 nan 8.270 nan 0.000 0.463 209 P HA 0.211 nan 4.420 nan 0.000 0.276 209 P C 0.636 177.776 177.300 -0.265 0.000 1.230 209 P CA 0.322 63.175 63.100 -0.411 0.000 0.776 209 P CB 0.706 32.341 31.700 -0.109 0.000 0.888 210 G N 2.284 110.991 108.800 -0.155 0.000 2.213 210 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.236 210 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.236 210 G C 0.849 175.718 174.900 -0.052 0.000 0.991 210 G CA 0.052 45.109 45.100 -0.071 0.000 0.629 210 G HN 0.447 nan 8.290 nan 0.000 0.517 211 I N 0.614 121.116 120.570 -0.113 0.000 2.333 211 I HA 0.101 4.271 4.170 -0.000 0.000 0.246 211 I C 2.679 178.878 176.117 0.137 0.000 1.106 211 I CA 1.958 63.242 61.300 -0.027 0.000 1.411 211 I CB -0.920 37.014 38.000 -0.111 0.000 1.082 211 I HN 0.478 nan 8.210 nan 0.000 0.420 212 L N -1.306 120.058 121.223 0.236 0.000 3.417 212 L HA -0.296 4.044 4.340 -0.000 0.000 0.368 212 L C 0.555 177.633 176.870 0.345 0.000 0.810 212 L CA 1.193 56.259 54.840 0.377 0.000 3.108 212 L CB -1.328 40.959 42.059 0.380 0.000 0.687 212 L HN 0.131 nan 8.230 nan 0.000 0.756 213 L N 0.326 121.710 121.223 0.269 0.000 2.295 213 L HA 0.423 4.763 4.340 -0.000 0.000 0.281 213 L C -0.490 176.438 176.870 0.096 0.000 1.018 213 L CA -0.365 54.506 54.840 0.052 0.000 0.841 213 L CB 1.000 43.082 42.059 0.039 0.000 1.218 213 L HN 0.351 nan 8.230 nan 0.000 0.424 214 W N 2.859 124.030 121.300 -0.215 0.000 3.032 214 W HA 0.523 5.183 4.660 -0.000 0.000 0.341 214 W C -1.079 175.275 176.519 -0.274 0.000 1.202 214 W CA -0.897 56.300 57.345 -0.245 0.000 1.132 214 W CB 0.720 30.117 29.460 -0.105 0.000 1.465 214 W HN 0.166 nan 8.180 nan 0.000 0.576 215 H N 1.125 120.279 119.070 0.139 0.000 2.488 215 H HA 0.466 5.022 4.556 -0.000 0.000 0.322 215 H C -0.709 174.691 175.328 0.120 0.000 1.078 215 H CA -0.709 55.355 56.048 0.027 0.000 1.260 215 H CB 1.902 31.698 29.762 0.057 0.000 1.425 215 H HN 0.300 nan 8.280 nan 0.000 0.471 216 V N 3.762 123.761 119.914 0.141 0.000 2.275 216 V HA -0.005 4.115 4.120 -0.000 0.000 0.272 216 V C 1.417 177.566 176.094 0.092 0.000 1.028 216 V CA -0.257 62.130 62.300 0.146 0.000 0.810 216 V CB 0.874 32.764 31.823 0.112 0.000 1.043 216 V HN 0.878 nan 8.190 nan 0.000 0.453 217 S N 2.621 118.372 115.700 0.085 0.000 2.423 217 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 217 S C 1.791 176.402 174.600 0.018 0.000 1.014 217 S CA 1.179 59.402 58.200 0.038 0.000 0.965 217 S CB -0.235 62.979 63.200 0.024 0.000 0.785 217 S HN 0.831 nan 8.310 nan 0.000 0.495 218 S N 1.221 116.929 115.700 0.013 0.000 2.603 218 S HA 0.055 4.525 4.470 -0.000 0.000 0.220 218 S C 0.749 175.338 174.600 -0.018 0.000 0.967 218 S CA -0.379 57.815 58.200 -0.010 0.000 0.920 218 S CB -0.710 62.477 63.200 -0.022 0.000 0.773 218 S HN 0.864 nan 8.310 nan 0.000 0.529 219 Q N 1.087 120.889 119.800 0.004 0.000 2.368 219 Q HA 0.532 4.872 4.340 -0.000 0.000 0.237 219 Q C -0.621 175.404 176.000 0.040 0.000 0.987 219 Q CA -0.449 55.368 55.803 0.023 0.000 0.896 219 Q CB 0.745 29.533 28.738 0.083 0.000 1.241 219 Q HN 0.114 nan 8.270 nan 0.000 0.485 220 S N 2.479 118.224 115.700 0.075 0.000 2.750 220 S HA 0.459 4.929 4.470 -0.000 0.000 0.276 220 S C -1.522 173.212 174.600 0.223 0.000 1.165 220 S CA -0.744 57.535 58.200 0.131 0.000 1.047 220 S CB 0.648 63.895 63.200 0.078 0.000 1.056 220 S HN 0.522 nan 8.310 nan 0.000 0.481 221 L N 3.870 125.157 121.223 0.106 0.000 2.344 221 L HA 0.638 4.978 4.340 -0.000 0.000 0.272 221 L C 1.125 177.741 176.870 -0.423 0.000 1.035 221 L CA -0.121 54.673 54.840 -0.076 0.000 0.807 221 L CB 1.572 43.611 42.059 -0.033 0.000 1.237 221 L HN 0.841 nan 8.230 nan 0.000 0.442 222 S N 0.596 115.787 115.700 -0.848 0.000 2.625 222 S HA 0.588 5.058 4.470 -0.000 0.000 0.262 222 S C -0.178 174.057 174.600 -0.608 0.000 1.223 222 S CA -0.358 57.130 58.200 -1.186 0.000 0.993 222 S CB 0.273 62.946 63.200 -0.879 0.000 1.051 222 S HN 0.203 nan 8.310 nan 0.000 0.562 223 F N -0.368 119.554 119.950 -0.048 0.000 2.541 223 F HA 0.511 5.038 4.527 -0.000 0.000 0.331 223 F C 0.662 176.070 175.800 -0.653 0.000 1.057 223 F CA -1.128 56.791 58.000 -0.135 0.000 0.975 223 F CB 0.886 39.842 39.000 -0.074 0.000 1.246 223 F HN 0.486 nan 8.300 nan 0.000 0.484 224 D N 0.255 119.974 120.400 -1.135 0.000 2.312 224 D HA 0.416 5.056 4.640 -0.000 0.000 0.248 224 D C -0.965 174.916 176.300 -0.697 0.000 1.086 224 D CA 0.200 53.374 54.000 -1.376 0.000 0.948 224 D CB 1.803 41.311 40.800 -2.153 0.000 1.162 224 D HN 0.439 nan 8.370 nan 0.000 0.446 225 S N -0.693 114.725 115.700 -0.470 0.000 2.564 225 S HA 0.384 4.854 4.470 -0.000 0.000 0.274 225 S C -0.100 174.457 174.600 -0.072 0.000 1.124 225 S CA -0.507 57.531 58.200 -0.270 0.000 0.869 225 S CB 1.060 64.067 63.200 -0.322 0.000 1.105 225 S HN 0.355 nan 8.310 nan 0.000 0.472 226 S N 2.178 117.867 115.700 -0.018 0.000 2.575 226 S HA 0.231 4.701 4.470 -0.000 0.000 0.237 226 S C 0.096 174.719 174.600 0.039 0.000 0.975 226 S CA -0.457 57.811 58.200 0.112 0.000 0.960 226 S CB -0.424 62.802 63.200 0.044 0.000 0.822 226 S HN 0.580 nan 8.310 nan 0.000 0.472 227 N N 3.195 121.883 118.700 -0.019 0.000 2.401 227 N HA 0.312 5.052 4.740 -0.000 0.000 0.255 227 N C -2.064 173.168 175.510 -0.463 0.000 1.110 227 N CA -2.151 50.831 53.050 -0.113 0.000 0.949 227 N CB 1.317 39.856 38.487 0.087 0.000 1.110 227 N HN -0.028 nan 8.380 nan 0.000 0.490 228 P HA -0.095 nan 4.420 nan 0.000 0.219 228 P C 0.581 177.179 177.300 -1.170 0.000 1.146 228 P CA 1.093 63.278 63.100 -1.525 0.000 0.808 228 P CB 0.331 31.569 31.700 -0.769 0.000 0.779 229 E N -1.564 118.188 120.200 -0.746 0.000 2.171 229 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 229 E C 1.341 177.270 176.600 -1.119 0.000 0.997 229 E CA 1.146 56.959 56.400 -0.978 0.000 0.810 229 E CB -0.501 28.757 29.700 -0.736 0.000 0.738 229 E HN 0.433 nan 8.360 nan 0.000 0.467 230 Y N -0.655 119.366 120.300 -0.465 0.000 2.517 230 Y HA 0.068 4.618 4.550 -0.000 0.000 0.281 230 Y C 0.546 176.459 175.900 0.021 0.000 1.125 230 Y CA -0.126 57.927 58.100 -0.078 0.000 1.283 230 Y CB 0.223 38.736 38.460 0.088 0.000 1.042 230 Y HN -0.102 nan 8.280 nan 0.000 0.547 231 F N 2.338 122.141 119.950 -0.245 0.000 2.608 231 F HA -0.102 4.425 4.527 -0.000 0.000 0.380 231 F C 0.651 176.279 175.800 -0.286 0.000 1.083 231 F CA -0.082 57.784 58.000 -0.223 0.000 1.266 231 F CB 0.316 39.129 39.000 -0.311 0.000 1.076 231 F HN 0.292 nan 8.300 nan 0.000 0.574 232 D N 2.087 122.485 120.400 -0.003 0.000 2.911 232 D HA -0.183 4.457 4.640 -0.000 0.000 0.227 232 D C 1.245 177.221 176.300 -0.539 0.000 1.164 232 D CA 0.810 54.655 54.000 -0.259 0.000 0.782 232 D CB -1.337 39.295 40.800 -0.280 0.000 1.094 232 D HN 0.867 nan 8.370 nan 0.000 0.425 233 G N -0.484 108.204 108.800 -0.187 0.000 2.712 233 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.212 233 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.212 233 G C 0.481 175.430 174.900 0.082 0.000 1.142 233 G CA -0.019 45.056 45.100 -0.042 0.000 0.789 233 G HN 0.340 nan 8.290 nan 0.000 0.535 234 Y N -2.394 118.053 120.300 0.245 0.000 3.305 234 Y HA -0.166 4.384 4.550 -0.000 0.000 0.212 234 Y C 0.536 176.579 175.900 0.237 0.000 1.248 234 Y CA -0.601 57.629 58.100 0.216 0.000 1.359 234 Y CB -2.553 36.034 38.460 0.213 0.000 1.407 234 Y HN 0.454 nan 8.280 nan 0.000 0.572 235 W N 1.806 123.244 121.300 0.232 0.000 2.591 235 W HA 0.406 5.066 4.660 -0.000 0.000 0.330 235 W C 1.169 177.740 176.519 0.086 0.000 1.435 235 W CA 1.765 59.209 57.345 0.165 0.000 1.350 235 W CB 0.211 29.801 29.460 0.216 0.000 1.434 235 W HN 0.691 nan 8.180 nan 0.000 0.553 236 G N 4.148 112.818 108.800 -0.217 0.000 2.148 236 G HA2 -0.420 3.539 3.960 -0.000 0.000 0.203 236 G HA3 -0.420 3.539 3.960 -0.000 0.000 0.203 236 G C 0.483 175.328 174.900 -0.092 0.000 0.993 236 G CA 0.082 45.042 45.100 -0.232 0.000 0.661 236 G HN 0.664 nan 8.290 nan 0.000 0.518 237 Y N 2.035 122.245 120.300 -0.150 0.000 2.207 237 Y HA 0.143 4.693 4.550 -0.000 0.000 0.287 237 Y C 1.750 177.677 175.900 0.046 0.000 1.156 237 Y CA 2.456 60.497 58.100 -0.098 0.000 1.182 237 Y CB 0.184 38.651 38.460 0.011 0.000 0.979 237 Y HN 0.766 nan 8.280 nan 0.000 0.521 238 S N -1.117 114.662 115.700 0.133 0.000 2.569 238 S HA 0.663 5.133 4.470 -0.000 0.000 0.280 238 S C -1.344 173.190 174.600 -0.110 0.000 1.111 238 S CA -0.592 57.613 58.200 0.009 0.000 0.887 238 S CB 1.933 65.132 63.200 -0.002 0.000 1.095 238 S HN 0.066 nan 8.310 nan 0.000 0.476 239 V N 0.283 120.126 119.914 -0.118 0.000 3.087 239 V HA 0.964 5.084 4.120 -0.000 0.000 0.306 239 V C -1.006 175.022 176.094 -0.110 0.000 1.187 239 V CA 0.135 62.340 62.300 -0.157 0.000 0.999 239 V CB 1.796 33.505 31.823 -0.190 0.000 1.049 239 V HN 1.886 nan 8.190 nan 0.000 0.431 240 A N 3.659 126.425 122.820 -0.090 0.000 2.608 240 A HA 0.890 5.209 4.320 -0.000 0.000 0.292 240 A C -1.246 176.358 177.584 0.032 0.000 1.066 240 A CA 0.048 52.064 52.037 -0.035 0.000 0.676 240 A CB 1.760 20.742 19.000 -0.029 0.000 1.277 240 A HN 2.098 nan 8.150 nan 0.000 0.413 241 V N -1.340 118.614 119.914 0.066 0.000 2.914 241 V HA 1.072 5.192 4.120 -0.000 0.000 0.314 241 V C 0.079 176.245 176.094 0.119 0.000 1.084 241 V CA 0.299 62.692 62.300 0.157 0.000 0.963 241 V CB 1.301 33.227 31.823 0.173 0.000 1.025 241 V HN 2.465 nan 8.190 nan 0.000 0.432 242 G N 1.885 110.809 108.800 0.206 0.000 2.490 242 G HA2 0.550 4.510 3.960 -0.000 0.000 0.308 242 G HA3 0.550 4.510 3.960 -0.000 0.000 0.308 242 G C -1.869 173.166 174.900 0.225 0.000 1.286 242 G CA -0.386 44.782 45.100 0.115 0.000 0.825 242 G HN 1.075 nan 8.290 nan 0.000 0.479 243 E N -0.482 119.780 120.200 0.104 0.000 2.145 243 E HA 0.713 5.062 4.350 -0.000 0.000 0.262 243 E C -1.107 175.291 176.600 -0.336 0.000 0.883 243 E CA -0.696 55.706 56.400 0.003 0.000 0.748 243 E CB 0.903 30.609 29.700 0.010 0.000 1.140 243 E HN 0.263 nan 8.360 nan 0.000 0.417 244 F N 2.121 122.146 119.950 0.125 0.000 2.915 244 F HA 0.192 4.719 4.527 -0.000 0.000 0.347 244 F C 0.489 176.370 175.800 0.135 0.000 1.104 244 F CA -0.309 57.775 58.000 0.140 0.000 1.126 244 F CB 0.993 40.093 39.000 0.166 0.000 1.145 244 F HN 0.431 nan 8.300 nan 0.000 0.541 245 D N -1.266 119.254 120.400 0.201 0.000 2.563 245 D HA 0.216 4.856 4.640 -0.000 0.000 0.237 245 D C 1.521 177.868 176.300 0.078 0.000 1.282 245 D CA 0.295 54.375 54.000 0.133 0.000 0.816 245 D CB 0.009 40.862 40.800 0.088 0.000 1.066 245 D HN 0.151 nan 8.370 nan 0.000 0.501 246 G N 1.093 109.928 108.800 0.057 0.000 2.233 246 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.270 246 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.270 246 G C -0.321 174.590 174.900 0.018 0.000 1.011 246 G CA 0.504 45.620 45.100 0.027 0.000 0.762 246 G HN 0.610 nan 8.290 nan 0.000 0.511 247 D N -0.386 120.027 120.400 0.021 0.000 2.420 247 D HA 0.414 5.054 4.640 -0.000 0.000 0.255 247 D C 1.511 177.819 176.300 0.013 0.000 1.185 247 D CA -0.780 53.229 54.000 0.015 0.000 0.904 247 D CB 0.339 41.150 40.800 0.017 0.000 1.102 247 D HN 0.047 nan 8.370 nan 0.000 0.534 248 L N 2.807 124.034 121.223 0.006 0.000 2.362 248 L HA -0.055 4.284 4.340 -0.000 0.000 0.219 248 L C 1.910 178.788 176.870 0.014 0.000 1.134 248 L CA 0.389 55.233 54.840 0.007 0.000 0.807 248 L CB -0.255 41.803 42.059 -0.002 0.000 0.927 248 L HN 0.321 nan 8.230 nan 0.000 0.447 249 N N -0.102 118.606 118.700 0.013 0.000 2.331 249 N HA -0.077 4.663 4.740 -0.000 0.000 0.180 249 N C 0.692 176.210 175.510 0.014 0.000 1.019 249 N CA 0.983 54.043 53.050 0.015 0.000 0.881 249 N CB 0.107 38.603 38.487 0.015 0.000 0.972 249 N HN 0.326 nan 8.380 nan 0.000 0.435 250 T N -2.642 111.920 114.554 0.013 0.000 2.902 250 T HA 0.518 4.868 4.350 -0.000 0.000 0.283 250 T C -0.105 174.590 174.700 -0.007 0.000 1.009 250 T CA -0.748 61.352 62.100 0.000 0.000 1.051 250 T CB 1.746 70.617 68.868 0.006 0.000 0.999 250 T HN -0.133 nan 8.240 nan 0.000 0.474 251 T N 2.693 117.217 114.554 -0.050 0.000 2.859 251 T HA 0.534 4.884 4.350 -0.000 0.000 0.281 251 T C -0.484 174.118 174.700 -0.164 0.000 1.005 251 T CA -0.600 61.474 62.100 -0.044 0.000 1.025 251 T CB 1.336 70.204 68.868 0.000 0.000 0.977 251 T HN 0.668 nan 8.240 nan 0.000 0.458 252 E N 1.277 121.460 120.200 -0.028 0.000 2.202 252 E HA 0.508 4.858 4.350 -0.000 0.000 0.272 252 E C -1.180 175.464 176.600 0.072 0.000 0.951 252 E CA -0.564 55.812 56.400 -0.040 0.000 0.813 252 E CB 0.770 30.591 29.700 0.203 0.000 1.151 252 E HN 0.432 nan 8.360 nan 0.000 0.398 253 Y N 0.186 120.520 120.300 0.057 0.000 2.360 253 Y HA 0.455 5.005 4.550 -0.000 0.000 0.337 253 Y C -0.193 175.682 175.900 -0.041 0.000 1.039 253 Y CA -1.357 56.752 58.100 0.015 0.000 1.109 253 Y CB 1.090 39.565 38.460 0.026 0.000 1.201 253 Y HN 0.149 nan 8.280 nan 0.000 0.458 254 V N 4.580 124.541 119.914 0.079 0.000 2.370 254 V HA 0.539 4.659 4.120 -0.000 0.000 0.283 254 V C -0.365 175.642 176.094 -0.144 0.000 1.023 254 V CA -0.803 61.449 62.300 -0.080 0.000 0.857 254 V CB 1.286 33.043 31.823 -0.109 0.000 0.985 254 V HN 0.530 nan 8.190 nan 0.000 0.443 255 V N 3.538 123.315 119.914 -0.228 0.000 2.540 255 V HA 0.753 4.873 4.120 -0.000 0.000 0.302 255 V C 0.603 176.472 176.094 -0.376 0.000 1.035 255 V CA -0.488 61.554 62.300 -0.431 0.000 0.873 255 V CB 2.019 33.304 31.823 -0.898 0.000 0.992 255 V HN 0.924 nan 8.190 nan 0.000 0.428 256 G N 2.455 111.065 108.800 -0.316 0.000 2.332 256 G HA2 0.622 4.582 3.960 -0.000 0.000 0.310 256 G HA3 0.622 4.582 3.960 -0.000 0.000 0.310 256 G C -0.248 174.572 174.900 -0.134 0.000 1.123 256 G CA -0.165 44.818 45.100 -0.195 0.000 0.873 256 G HN 1.175 nan 8.290 nan 0.000 0.460 257 A N 4.664 127.463 122.820 -0.034 0.000 3.030 257 A HA 0.654 4.974 4.320 -0.000 0.000 0.335 257 A C -1.503 176.124 177.584 0.071 0.000 1.089 257 A CA -1.208 50.904 52.037 0.125 0.000 0.807 257 A CB 1.479 20.679 19.000 0.333 0.000 1.099 257 A HN 0.440 nan 8.150 nan 0.000 0.474 258 P HA -0.083 nan 4.420 nan 0.000 0.226 258 P C 0.992 178.066 177.300 -0.378 0.000 1.153 258 P CA 1.635 64.526 63.100 -0.348 0.000 0.777 258 P CB 0.031 31.202 31.700 -0.882 0.000 0.794 259 T N -7.228 107.184 114.554 -0.237 0.000 3.132 259 T HA 0.121 4.471 4.350 -0.000 0.000 0.274 259 T C 0.041 174.685 174.700 -0.094 0.000 1.011 259 T CA -0.752 61.236 62.100 -0.187 0.000 0.899 259 T CB -0.902 67.797 68.868 -0.282 0.000 1.089 259 T HN -0.049 nan 8.240 nan 0.000 0.543 260 W N 2.839 124.044 121.300 -0.158 0.000 2.293 260 W HA 0.341 5.001 4.660 -0.000 0.000 0.342 260 W C 0.692 177.111 176.519 -0.167 0.000 1.274 260 W CA 1.268 58.511 57.345 -0.170 0.000 1.290 260 W CB 0.126 29.514 29.460 -0.120 0.000 1.176 260 W HN 0.348 nan 8.180 nan 0.000 0.570 261 S N 6.847 121.872 115.700 -1.125 0.000 3.477 261 S HA -0.237 4.233 4.470 -0.000 0.000 0.426 261 S C 0.064 174.567 174.600 -0.160 0.000 0.874 261 S CA 0.641 58.293 58.200 -0.913 0.000 1.341 261 S CB -1.527 60.966 63.200 -1.179 0.000 0.917 261 S HN 1.011 nan 8.310 nan 0.000 0.607 262 W N 0.609 121.721 121.300 -0.313 0.000 6.486 262 W HA -0.339 4.321 4.660 -0.000 0.000 0.411 262 W C 1.307 177.759 176.519 -0.112 0.000 1.595 262 W CA 1.470 58.708 57.345 -0.178 0.000 1.075 262 W CB -3.039 26.323 29.460 -0.164 0.000 2.798 262 W HN 1.832 nan 8.180 nan 0.000 1.534 263 T N -4.205 110.357 114.554 0.014 0.000 5.334 263 T HA -0.351 3.999 4.350 -0.000 0.000 0.288 263 T C 0.963 175.712 174.700 0.082 0.000 1.733 263 T CA 1.198 63.323 62.100 0.042 0.000 2.925 263 T CB -1.586 67.337 68.868 0.090 0.000 1.649 263 T HN 0.460 nan 8.240 nan 0.000 1.007 264 L N 1.291 122.567 121.223 0.088 0.000 2.093 264 L HA 0.326 4.666 4.340 -0.000 0.000 0.208 264 L C 1.624 178.576 176.870 0.137 0.000 1.085 264 L CA 2.119 57.023 54.840 0.107 0.000 0.755 264 L CB -1.279 40.846 42.059 0.109 0.000 0.904 264 L HN 1.304 nan 8.230 nan 0.000 0.435 265 G N -0.437 108.483 108.800 0.200 0.000 2.716 265 G HA2 0.118 4.078 3.960 -0.000 0.000 0.686 265 G HA3 0.118 4.078 3.960 -0.000 0.000 0.686 265 G C -0.709 174.396 174.900 0.342 0.000 1.337 265 G CA -0.276 44.974 45.100 0.249 0.000 0.829 265 G HN 0.941 nan 8.290 nan 0.000 0.599 266 A N -0.197 122.817 122.820 0.323 0.000 2.608 266 A HA 0.925 5.245 4.320 -0.000 0.000 0.292 266 A C -0.799 176.825 177.584 0.065 0.000 1.066 266 A CA 0.123 52.247 52.037 0.145 0.000 0.676 266 A CB 1.825 20.587 19.000 -0.397 0.000 1.277 266 A HN 2.154 nan 8.150 nan 0.000 0.413 267 V N 1.140 121.065 119.914 0.019 0.000 2.656 267 V HA 0.559 4.679 4.120 -0.000 0.000 0.307 267 V C -0.391 175.612 176.094 -0.151 0.000 1.051 267 V CA -0.421 61.802 62.300 -0.128 0.000 0.893 267 V CB 1.828 33.520 31.823 -0.217 0.000 0.999 267 V HN 0.928 nan 8.190 nan 0.000 0.426 268 E N 3.765 123.894 120.200 -0.119 0.000 2.212 268 E HA 0.601 4.951 4.350 -0.000 0.000 0.268 268 E C -1.254 175.308 176.600 -0.062 0.000 0.902 268 E CA -0.687 55.686 56.400 -0.044 0.000 0.779 268 E CB 2.818 32.607 29.700 0.148 0.000 1.172 268 E HN 0.527 nan 8.360 nan 0.000 0.409 269 I N 4.056 124.586 120.570 -0.066 0.000 2.336 269 I HA 0.326 4.495 4.170 -0.000 0.000 0.292 269 I C -0.501 175.618 176.117 0.004 0.000 0.991 269 I CA -0.368 60.877 61.300 -0.091 0.000 1.227 269 I CB 0.522 38.423 38.000 -0.164 0.000 1.366 269 I HN 0.249 nan 8.210 nan 0.000 0.466 270 L N 4.807 126.064 121.223 0.057 0.000 2.309 270 L HA 0.513 4.853 4.340 -0.000 0.000 0.261 270 L C -0.527 176.335 176.870 -0.013 0.000 1.021 270 L CA -1.059 53.841 54.840 0.100 0.000 0.823 270 L CB 1.805 44.037 42.059 0.290 0.000 1.366 270 L HN 0.552 nan 8.230 nan 0.000 0.423 271 D N -0.952 119.431 120.400 -0.028 0.000 2.451 271 D HA 0.090 4.729 4.640 -0.000 0.000 0.259 271 D C 0.852 176.948 176.300 -0.339 0.000 1.201 271 D CA -0.280 53.643 54.000 -0.128 0.000 1.028 271 D CB 0.823 41.618 40.800 -0.008 0.000 1.095 271 D HN 0.503 nan 8.370 nan 0.000 0.539 272 S N -1.654 113.789 115.700 -0.428 0.000 2.561 272 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 272 S C 1.134 175.361 174.600 -0.622 0.000 0.977 272 S CA 0.151 57.934 58.200 -0.695 0.000 0.926 272 S CB -0.721 62.163 63.200 -0.527 0.000 0.769 272 S HN 0.505 nan 8.310 nan 0.000 0.533 273 Y N 0.199 120.314 120.300 -0.307 0.000 2.466 273 Y HA 0.305 4.855 4.550 -0.000 0.000 0.272 273 Y C -0.168 175.767 175.900 0.059 0.000 1.169 273 Y CA -1.027 56.994 58.100 -0.131 0.000 1.285 273 Y CB -0.675 37.798 38.460 0.022 0.000 1.078 273 Y HN 0.185 nan 8.280 nan 0.000 0.523 274 Y N -1.497 118.971 120.300 0.280 0.000 4.366 274 Y HA -0.297 4.252 4.550 -0.000 0.000 0.236 274 Y C 0.214 176.304 175.900 0.315 0.000 1.142 274 Y CA -0.413 57.870 58.100 0.305 0.000 2.024 274 Y CB -2.572 36.015 38.460 0.211 0.000 1.621 274 Y HN 0.241 nan 8.280 nan 0.000 0.694 275 Q N 0.974 120.969 119.800 0.324 0.000 2.288 275 Q HA 0.261 4.601 4.340 -0.000 0.000 0.258 275 Q C 0.660 176.747 176.000 0.145 0.000 0.957 275 Q CA -0.692 55.233 55.803 0.203 0.000 0.919 275 Q CB 1.035 29.839 28.738 0.109 0.000 1.185 275 Q HN 0.288 nan 8.270 nan 0.000 0.408 276 R N 3.130 123.705 120.500 0.126 0.000 2.449 276 R HA 0.017 4.357 4.340 -0.000 0.000 0.296 276 R C 0.448 176.740 176.300 -0.014 0.000 1.047 276 R CA 0.224 56.376 56.100 0.087 0.000 1.018 276 R CB 0.317 30.673 30.300 0.093 0.000 0.962 276 R HN 0.710 nan 8.270 nan 0.000 0.428 277 L N 2.897 124.065 121.223 -0.092 0.000 2.362 277 L HA 0.196 4.536 4.340 -0.000 0.000 0.204 277 L C 0.151 176.700 176.870 -0.535 0.000 1.060 277 L CA 0.309 54.959 54.840 -0.317 0.000 0.827 277 L CB 0.133 41.974 42.059 -0.364 0.000 1.027 277 L HN 0.715 nan 8.230 nan 0.000 0.474 278 H N -1.347 117.703 119.070 -0.034 0.000 2.961 278 H HA 0.522 5.078 4.556 -0.000 0.000 0.371 278 H C -1.023 174.245 175.328 -0.100 0.000 1.190 278 H CA -0.736 55.270 56.048 -0.071 0.000 1.138 278 H CB 2.147 31.839 29.762 -0.117 0.000 1.816 278 H HN -0.156 nan 8.280 nan 0.000 0.551 279 R N 2.487 122.993 120.500 0.010 0.000 2.561 279 R HA 0.474 4.814 4.340 -0.000 0.000 0.297 279 R C -1.745 174.471 176.300 -0.141 0.000 0.969 279 R CA -0.725 55.309 56.100 -0.110 0.000 0.879 279 R CB 1.042 31.239 30.300 -0.170 0.000 1.178 279 R HN 0.558 nan 8.270 nan 0.000 0.445 280 L N 5.068 126.180 121.223 -0.184 0.000 2.305 280 L HA 0.569 4.909 4.340 -0.000 0.000 0.284 280 L C 0.067 176.870 176.870 -0.112 0.000 1.013 280 L CA -0.819 53.915 54.840 -0.177 0.000 0.819 280 L CB 1.709 43.576 42.059 -0.320 0.000 1.227 280 L HN 0.518 nan 8.230 nan 0.000 0.417 281 R N 1.297 121.678 120.500 -0.198 0.000 2.500 281 R HA 0.537 4.877 4.340 -0.000 0.000 0.277 281 R C 0.418 176.282 176.300 -0.727 0.000 1.026 281 R CA -0.629 55.317 56.100 -0.256 0.000 1.058 281 R CB 1.224 31.476 30.300 -0.079 0.000 1.078 281 R HN 0.750 nan 8.270 nan 0.000 0.509 282 G N 0.076 108.422 108.800 -0.756 0.000 2.569 282 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.249 282 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.249 282 G C 0.152 174.762 174.900 -0.484 0.000 1.216 282 G CA -0.292 44.169 45.100 -1.066 0.000 0.845 282 G HN 0.806 nan 8.290 nan 0.000 0.568 283 E N -0.812 119.193 120.200 -0.325 0.000 2.276 283 E HA 0.053 4.403 4.350 -0.000 0.000 0.193 283 E C 0.739 177.417 176.600 0.131 0.000 0.983 283 E CA 0.246 56.635 56.400 -0.017 0.000 0.861 283 E CB 0.177 29.965 29.700 0.145 0.000 0.817 283 E HN 0.528 nan 8.360 nan 0.000 0.485 284 Q N 0.513 120.419 119.800 0.178 0.000 2.295 284 Q HA 0.258 4.597 4.340 -0.000 0.000 0.268 284 Q C -1.276 174.822 176.000 0.164 0.000 1.010 284 Q CA -0.530 55.391 55.803 0.198 0.000 0.856 284 Q CB 1.556 30.471 28.738 0.294 0.000 1.349 284 Q HN 0.043 nan 8.270 nan 0.000 0.412 285 M N 2.508 122.177 119.600 0.115 0.000 2.249 285 M HA 0.213 4.693 4.480 -0.000 0.000 0.340 285 M C 0.955 177.342 176.300 0.144 0.000 1.166 285 M CA 1.459 56.828 55.300 0.115 0.000 1.115 285 M CB 0.605 33.256 32.600 0.085 0.000 1.606 285 M HN 1.016 nan 8.290 nan 0.000 0.448 286 A N 0.914 123.837 122.820 0.171 0.000 2.945 286 A HA -0.212 4.108 4.320 -0.000 0.000 0.263 286 A C 1.480 179.238 177.584 0.291 0.000 1.293 286 A CA 1.367 53.541 52.037 0.228 0.000 0.944 286 A CB -2.560 16.548 19.000 0.180 0.000 1.093 286 A HN 1.029 nan 8.150 nan 0.000 0.786 287 S N -2.625 113.254 115.700 0.298 0.000 2.522 287 S HA 0.133 4.603 4.470 -0.000 0.000 0.227 287 S C 0.737 175.604 174.600 0.445 0.000 0.986 287 S CA 1.114 59.536 58.200 0.369 0.000 0.929 287 S CB -0.451 63.027 63.200 0.463 0.000 0.769 287 S HN 1.650 nan 8.310 nan 0.000 0.529 288 Y N -0.160 120.275 120.300 0.225 0.000 3.689 288 Y HA -0.235 4.315 4.550 -0.000 0.000 0.221 288 Y C 0.069 176.105 175.900 0.227 0.000 1.247 288 Y CA -0.001 58.210 58.100 0.184 0.000 1.671 288 Y CB -2.529 36.005 38.460 0.124 0.000 1.521 288 Y HN 0.558 nan 8.280 nan 0.000 0.632 289 F N 1.252 121.285 119.950 0.139 0.000 2.539 289 F HA 0.324 4.851 4.527 -0.000 0.000 0.393 289 F C 1.275 177.079 175.800 0.007 0.000 1.032 289 F CA 1.806 59.856 58.000 0.083 0.000 1.120 289 F CB 0.156 39.162 39.000 0.010 0.000 1.014 289 F HN 0.371 nan 8.300 nan 0.000 0.546 290 G N 4.237 112.840 108.800 -0.328 0.000 2.192 290 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.193 290 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.193 290 G C 1.296 176.155 174.900 -0.068 0.000 0.999 290 G CA 0.156 45.107 45.100 -0.250 0.000 0.659 290 G HN 0.781 nan 8.290 nan 0.000 0.503 291 H N 0.844 119.892 119.070 -0.036 0.000 2.390 291 H HA 0.079 4.635 4.556 -0.000 0.000 0.298 291 H C 0.377 175.770 175.328 0.109 0.000 1.106 291 H CA 2.087 58.198 56.048 0.104 0.000 1.297 291 H CB 0.239 30.133 29.762 0.220 0.000 1.375 291 H HN 0.386 nan 8.280 nan 0.000 0.509 292 S N 0.177 115.928 115.700 0.085 0.000 2.547 292 S HA 0.471 4.941 4.470 -0.000 0.000 0.281 292 S C -0.865 173.695 174.600 -0.066 0.000 1.118 292 S CA -0.500 57.700 58.200 -0.000 0.000 0.947 292 S CB 2.804 66.040 63.200 0.060 0.000 1.053 292 S HN 0.292 nan 8.310 nan 0.000 0.482 293 V N -0.575 119.293 119.914 -0.077 0.000 2.760 293 V HA 1.054 5.174 4.120 -0.000 0.000 0.309 293 V C -0.508 175.558 176.094 -0.048 0.000 1.077 293 V CA -0.938 61.313 62.300 -0.082 0.000 0.910 293 V CB 1.118 32.873 31.823 -0.113 0.000 1.008 293 V HN 1.100 nan 8.190 nan 0.000 0.424 294 A N 3.300 126.110 122.820 -0.018 0.000 2.475 294 A HA 0.945 5.265 4.320 -0.000 0.000 0.301 294 A C -1.069 176.541 177.584 0.042 0.000 1.059 294 A CA -0.753 51.287 52.037 0.005 0.000 0.710 294 A CB 2.250 21.255 19.000 0.008 0.000 1.288 294 A HN 1.434 nan 8.150 nan 0.000 0.408 295 V N 1.191 121.124 119.914 0.032 0.000 2.487 295 V HA 0.864 4.984 4.120 -0.000 0.000 0.298 295 V C -0.090 175.995 176.094 -0.016 0.000 1.028 295 V CA -0.094 62.230 62.300 0.041 0.000 0.860 295 V CB 1.482 33.305 31.823 -0.000 0.000 0.991 295 V HN 1.172 nan 8.190 nan 0.000 0.427 296 T N 2.233 116.830 114.554 0.071 0.000 3.289 296 T HA 0.214 4.564 4.350 -0.000 0.000 0.370 296 T C -1.818 173.003 174.700 0.201 0.000 1.546 296 T CA -0.625 61.560 62.100 0.141 0.000 1.144 296 T CB 1.521 70.451 68.868 0.103 0.000 1.379 296 T HN 0.808 nan 8.240 nan 0.000 0.478 297 D N 2.991 123.537 120.400 0.244 0.000 2.338 297 D HA 0.271 4.911 4.640 -0.000 0.000 0.255 297 D C 1.515 177.894 176.300 0.132 0.000 1.237 297 D CA 0.128 54.215 54.000 0.145 0.000 0.883 297 D CB 0.875 41.711 40.800 0.059 0.000 1.087 297 D HN 0.443 nan 8.370 nan 0.000 0.485 298 V N 1.778 121.769 119.914 0.128 0.000 3.565 298 V HA 0.140 4.260 4.120 -0.000 0.000 0.260 298 V C 1.028 177.214 176.094 0.152 0.000 1.231 298 V CA 0.471 62.849 62.300 0.131 0.000 1.100 298 V CB -0.399 31.480 31.823 0.093 0.000 0.807 298 V HN 0.580 nan 8.190 nan 0.000 0.454 299 N N 0.880 119.670 118.700 0.150 0.000 2.234 299 N HA 0.237 4.977 4.740 -0.000 0.000 0.227 299 N C 1.331 177.045 175.510 0.340 0.000 1.151 299 N CA 0.355 53.502 53.050 0.163 0.000 0.865 299 N CB 0.404 38.924 38.487 0.056 0.000 1.066 299 N HN 0.785 nan 8.380 nan 0.000 0.515 300 G N 1.875 110.862 108.800 0.313 0.000 2.179 300 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.257 300 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.257 300 G C 0.253 175.193 174.900 0.068 0.000 1.010 300 G CA 0.673 45.864 45.100 0.152 0.000 0.736 300 G HN 0.651 nan 8.290 nan 0.000 0.513 301 D N -0.691 119.748 120.400 0.065 0.000 2.349 301 D HA 0.352 4.992 4.640 -0.000 0.000 0.214 301 D C 1.733 178.021 176.300 -0.020 0.000 1.063 301 D CA 0.445 54.459 54.000 0.024 0.000 0.847 301 D CB -0.549 40.271 40.800 0.033 0.000 0.933 301 D HN 1.476 nan 8.370 nan 0.000 0.513 302 G N 0.770 109.545 108.800 -0.041 0.000 2.148 302 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.254 302 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.254 302 G C 0.101 174.907 174.900 -0.157 0.000 0.981 302 G CA -0.078 44.963 45.100 -0.099 0.000 0.670 302 G HN 0.440 nan 8.290 nan 0.000 0.528 303 R N 0.109 120.539 120.500 -0.117 0.000 2.343 303 R HA 0.398 4.738 4.340 -0.000 0.000 0.320 303 R C -0.100 176.125 176.300 -0.125 0.000 0.956 303 R CA -0.795 55.217 56.100 -0.146 0.000 0.836 303 R CB 0.755 31.017 30.300 -0.062 0.000 1.151 303 R HN 0.544 nan 8.270 nan 0.000 0.450 304 H N 1.537 120.477 119.070 -0.216 0.000 3.094 304 H HA -0.035 4.521 4.556 -0.000 0.000 0.320 304 H C -0.201 175.050 175.328 -0.128 0.000 1.000 304 H CA 0.352 56.257 56.048 -0.238 0.000 1.413 304 H CB 0.624 30.098 29.762 -0.480 0.000 1.405 304 H HN 0.376 nan 8.280 nan 0.000 0.586 305 D N 2.132 122.653 120.400 0.201 0.000 2.272 305 D HA 0.216 4.856 4.640 -0.000 0.000 0.247 305 D C -0.558 175.945 176.300 0.338 0.000 0.990 305 D CA -0.697 53.460 54.000 0.261 0.000 0.931 305 D CB 2.287 43.197 40.800 0.184 0.000 1.195 305 D HN 0.119 nan 8.370 nan 0.000 0.477 306 L N 1.047 122.489 121.223 0.364 0.000 2.322 306 L HA 0.489 4.829 4.340 -0.000 0.000 0.281 306 L C -1.532 175.507 176.870 0.282 0.000 1.014 306 L CA -0.459 54.557 54.840 0.293 0.000 0.815 306 L CB 1.125 43.281 42.059 0.161 0.000 1.247 306 L HN 0.274 nan 8.230 nan 0.000 0.421 307 L N 5.658 126.987 121.223 0.177 0.000 2.356 307 L HA 0.716 5.056 4.340 -0.000 0.000 0.277 307 L C -0.947 175.972 176.870 0.082 0.000 0.996 307 L CA -0.651 54.275 54.840 0.143 0.000 0.822 307 L CB 2.100 44.198 42.059 0.065 0.000 1.256 307 L HN 0.351 nan 8.230 nan 0.000 0.413 308 V N 1.533 121.516 119.914 0.115 0.000 2.680 308 V HA 0.743 4.863 4.120 -0.000 0.000 0.309 308 V C 0.266 176.365 176.094 0.008 0.000 1.052 308 V CA -0.593 61.666 62.300 -0.068 0.000 0.908 308 V CB 1.992 33.607 31.823 -0.347 0.000 1.001 308 V HN 0.813 nan 8.190 nan 0.000 0.431 309 G N 2.051 110.817 108.800 -0.056 0.000 2.415 309 G HA2 0.662 4.622 3.960 -0.000 0.000 0.327 309 G HA3 0.662 4.622 3.960 -0.000 0.000 0.327 309 G C -0.520 174.452 174.900 0.120 0.000 1.182 309 G CA -0.313 44.820 45.100 0.056 0.000 0.924 309 G HN 1.143 nan 8.290 nan 0.000 0.470 310 A N 4.225 127.214 122.820 0.281 0.000 2.842 310 A HA 0.676 4.996 4.320 -0.000 0.000 0.339 310 A C -1.614 176.178 177.584 0.347 0.000 1.177 310 A CA -1.303 50.966 52.037 0.387 0.000 0.797 310 A CB 1.557 20.935 19.000 0.629 0.000 1.094 310 A HN 0.433 nan 8.150 nan 0.000 0.474 311 P HA -0.011 nan 4.420 nan 0.000 0.233 311 P C 0.577 178.010 177.300 0.222 0.000 1.167 311 P CA 0.687 63.896 63.100 0.182 0.000 0.770 311 P CB 0.258 31.959 31.700 0.001 0.000 0.837 312 L N -1.740 119.636 121.223 0.255 0.000 2.818 312 L HA 0.252 4.592 4.340 -0.000 0.000 0.243 312 L C 0.598 177.625 176.870 0.260 0.000 1.185 312 L CA -0.869 54.111 54.840 0.233 0.000 0.988 312 L CB -0.502 41.671 42.059 0.191 0.000 1.292 312 L HN -0.095 nan 8.230 nan 0.000 0.519 313 Y N 2.258 122.684 120.300 0.210 0.000 2.632 313 Y HA 0.119 4.669 4.550 -0.000 0.000 0.329 313 Y C 0.347 176.329 175.900 0.136 0.000 1.174 313 Y CA 0.247 58.464 58.100 0.196 0.000 1.469 313 Y CB 0.439 39.038 38.460 0.231 0.000 1.242 313 Y HN 0.065 nan 8.280 nan 0.000 0.540 314 M N 6.521 125.766 119.600 -0.591 0.000 2.129 314 M HA 0.217 4.697 4.480 -0.000 0.000 0.348 314 M C -0.404 175.511 176.300 -0.640 0.000 1.116 314 M CA -0.279 54.769 55.300 -0.421 0.000 1.022 314 M CB 1.281 33.740 32.600 -0.236 0.000 1.599 314 M HN 0.674 nan 8.290 nan 0.000 0.449 315 E N 1.714 121.762 120.200 -0.253 0.000 2.301 315 E HA 0.280 4.629 4.350 -0.000 0.000 0.275 315 E C -0.761 175.799 176.600 -0.067 0.000 1.030 315 E CA -0.354 56.003 56.400 -0.071 0.000 0.852 315 E CB 1.197 30.929 29.700 0.054 0.000 1.060 315 E HN 0.602 nan 8.360 nan 0.000 0.401 316 S N 3.001 118.691 115.700 -0.017 0.000 2.564 316 S HA 0.314 4.784 4.470 -0.000 0.000 0.278 316 S C -0.098 174.496 174.600 -0.010 0.000 1.333 316 S CA -0.268 57.923 58.200 -0.015 0.000 1.048 316 S CB 0.700 63.906 63.200 0.009 0.000 0.900 316 S HN 0.411 nan 8.310 nan 0.000 0.505 317 R N 0.292 120.782 120.500 -0.017 0.000 2.817 317 R HA 0.629 4.969 4.340 -0.000 0.000 0.268 317 R C -0.625 175.668 176.300 -0.012 0.000 1.027 317 R CA -1.045 55.046 56.100 -0.015 0.000 0.928 317 R CB 1.328 31.613 30.300 -0.024 0.000 1.228 317 R HN 0.669 nan 8.270 nan 0.000 0.469 318 A N 0.858 123.671 122.820 -0.010 0.000 2.555 318 A HA 0.095 4.414 4.320 -0.000 0.000 0.233 318 A C -0.266 177.313 177.584 -0.008 0.000 1.060 318 A CA 0.621 52.654 52.037 -0.008 0.000 0.759 318 A CB -0.242 18.753 19.000 -0.007 0.000 0.995 318 A HN 0.828 nan 8.150 nan 0.000 0.506 319 D N -0.056 120.340 120.400 -0.006 0.000 2.723 319 D HA -0.184 4.455 4.640 -0.000 0.000 0.236 319 D C 0.440 176.736 176.300 -0.007 0.000 1.138 319 D CA 1.583 55.579 54.000 -0.006 0.000 0.676 319 D CB -1.138 39.658 40.800 -0.005 0.000 1.069 319 D HN 0.794 nan 8.370 nan 0.000 0.430 320 R N -2.386 118.110 120.500 -0.007 0.000 3.863 320 R HA -0.256 4.084 4.340 -0.000 0.000 0.313 320 R C -0.065 176.227 176.300 -0.012 0.000 1.202 320 R CA 1.248 57.344 56.100 -0.008 0.000 0.852 320 R CB -1.258 29.038 30.300 -0.006 0.000 1.292 320 R HN 0.376 nan 8.270 nan 0.000 0.519 321 K N 0.897 121.287 120.400 -0.016 0.000 2.110 321 K HA 0.500 4.820 4.320 -0.000 0.000 0.263 321 K C 0.091 176.671 176.600 -0.032 0.000 0.975 321 K CA -0.527 55.747 56.287 -0.021 0.000 0.895 321 K CB 1.140 33.628 32.500 -0.020 0.000 1.060 321 K HN -0.037 nan 8.250 nan 0.000 0.448 322 L N 1.285 122.484 121.223 -0.040 0.000 2.334 322 L HA 0.592 4.932 4.340 -0.000 0.000 0.273 322 L C -0.617 176.209 176.870 -0.073 0.000 1.013 322 L CA -0.821 53.981 54.840 -0.063 0.000 0.816 322 L CB 1.976 43.994 42.059 -0.067 0.000 1.278 322 L HN 0.685 nan 8.230 nan 0.000 0.431 323 A N 1.993 124.757 122.820 -0.093 0.000 2.375 323 A HA 0.334 4.654 4.320 -0.000 0.000 0.291 323 A C -0.566 176.952 177.584 -0.111 0.000 1.160 323 A CA -0.508 51.459 52.037 -0.116 0.000 0.747 323 A CB 0.986 19.923 19.000 -0.105 0.000 1.170 323 A HN 0.724 nan 8.150 nan 0.000 0.458 324 E N 2.217 122.346 120.200 -0.119 0.000 2.292 324 E HA 0.237 4.587 4.350 -0.000 0.000 0.265 324 E C 0.521 177.119 176.600 -0.003 0.000 1.093 324 E CA 0.461 56.847 56.400 -0.023 0.000 0.922 324 E CB 0.448 30.203 29.700 0.092 0.000 1.001 324 E HN 0.736 nan 8.360 nan 0.000 0.444 325 V N 1.356 121.320 119.914 0.083 0.000 3.368 325 V HA 0.440 4.560 4.120 -0.000 0.000 0.255 325 V C 0.662 176.903 176.094 0.244 0.000 1.466 325 V CA 0.343 62.718 62.300 0.125 0.000 1.095 325 V CB -0.038 31.824 31.823 0.066 0.000 0.899 325 V HN 0.817 nan 8.190 nan 0.000 0.440 326 G N 0.860 109.850 108.800 0.316 0.000 2.692 326 G HA2 0.028 3.988 3.960 -0.000 0.000 0.686 326 G HA3 0.028 3.988 3.960 -0.000 0.000 0.686 326 G C -0.706 174.456 174.900 0.436 0.000 1.243 326 G CA -0.096 45.243 45.100 0.399 0.000 0.782 326 G HN 0.878 nan 8.290 nan 0.000 0.625 327 R N -0.380 120.343 120.500 0.370 0.000 2.698 327 R HA 0.741 5.081 4.340 -0.000 0.000 0.275 327 R C -1.164 175.214 176.300 0.130 0.000 1.001 327 R CA -0.844 55.349 56.100 0.155 0.000 0.896 327 R CB 2.230 32.325 30.300 -0.341 0.000 1.218 327 R HN 0.798 nan 8.270 nan 0.000 0.462 328 V N 3.813 123.749 119.914 0.038 0.000 2.495 328 V HA 0.471 4.591 4.120 -0.000 0.000 0.298 328 V C -1.355 174.634 176.094 -0.175 0.000 1.031 328 V CA -0.640 61.655 62.300 -0.009 0.000 0.871 328 V CB 1.676 33.452 31.823 -0.078 0.000 0.988 328 V HN 0.631 nan 8.190 nan 0.000 0.432 329 Y N 4.550 124.843 120.300 -0.012 0.000 2.328 329 Y HA 0.626 5.176 4.550 -0.000 0.000 0.337 329 Y C -0.165 175.641 175.900 -0.157 0.000 0.966 329 Y CA -0.893 57.146 58.100 -0.102 0.000 1.136 329 Y CB 1.636 40.138 38.460 0.070 0.000 1.170 329 Y HN 0.506 nan 8.280 nan 0.000 0.470 330 L N 4.775 125.894 121.223 -0.174 0.000 2.275 330 L HA 0.599 4.939 4.340 -0.000 0.000 0.288 330 L C -1.687 175.007 176.870 -0.293 0.000 1.046 330 L CA -0.532 54.239 54.840 -0.114 0.000 0.805 330 L CB 0.013 42.015 42.059 -0.095 0.000 1.193 330 L HN 0.397 nan 8.230 nan 0.000 0.426 331 F N 5.855 125.857 119.950 0.087 0.000 2.403 331 F HA 0.466 4.993 4.527 -0.000 0.000 0.355 331 F C -0.284 175.571 175.800 0.092 0.000 1.119 331 F CA -0.564 57.486 58.000 0.082 0.000 1.007 331 F CB 1.148 40.191 39.000 0.071 0.000 1.194 331 F HN 0.243 nan 8.300 nan 0.000 0.443 332 L N 3.218 124.559 121.223 0.196 0.000 2.349 332 L HA 0.317 4.657 4.340 -0.000 0.000 0.275 332 L C 0.258 177.228 176.870 0.167 0.000 1.115 332 L CA -0.445 54.487 54.840 0.152 0.000 0.820 332 L CB 1.089 43.197 42.059 0.083 0.000 1.135 332 L HN 0.600 nan 8.230 nan 0.000 0.445 333 Q N 5.256 125.152 119.800 0.160 0.000 2.288 333 Q HA 0.299 4.639 4.340 -0.000 0.000 0.258 333 Q C -2.240 173.816 176.000 0.092 0.000 0.957 333 Q CA -1.627 54.266 55.803 0.151 0.000 0.919 333 Q CB 1.347 30.172 28.738 0.144 0.000 1.185 333 Q HN 0.305 nan 8.270 nan 0.000 0.408 334 P HA 0.214 nan 4.420 nan 0.000 0.293 334 P C -1.061 176.275 177.300 0.060 0.000 1.304 334 P CA -0.510 62.619 63.100 0.049 0.000 0.767 334 P CB 0.915 32.633 31.700 0.031 0.000 1.247 335 R N -1.190 119.324 120.500 0.024 0.000 2.528 335 R HA 0.495 4.835 4.340 -0.000 0.000 0.271 335 R C 0.682 177.084 176.300 0.171 0.000 1.056 335 R CA 0.841 56.975 56.100 0.056 0.000 1.117 335 R CB -0.136 30.173 30.300 0.014 0.000 1.085 335 R HN 0.858 nan 8.270 nan 0.000 0.530 336 G N 2.664 111.569 108.800 0.175 0.000 2.542 336 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.235 336 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.235 336 G C -1.916 173.099 174.900 0.192 0.000 1.286 336 G CA -0.171 45.065 45.100 0.228 0.000 0.904 336 G HN 0.610 nan 8.290 nan 0.000 0.577 337 P HA 0.266 nan 4.420 nan 0.000 0.258 337 P C 0.104 177.420 177.300 0.027 0.000 1.416 337 P CA 0.017 63.140 63.100 0.038 0.000 0.927 337 P CB -0.181 31.492 31.700 -0.045 0.000 1.444 338 H N 0.849 119.979 119.070 0.100 0.000 2.707 338 H HA 0.447 5.003 4.556 -0.000 0.000 0.359 338 H C 0.910 176.315 175.328 0.128 0.000 1.113 338 H CA 0.049 56.156 56.048 0.098 0.000 1.422 338 H CB 0.536 30.340 29.762 0.068 0.000 1.443 338 H HN 0.116 nan 8.280 nan 0.000 0.591 339 A N 2.376 125.330 122.820 0.223 0.000 2.332 339 A HA 0.299 4.619 4.320 -0.000 0.000 0.258 339 A C -0.457 177.107 177.584 -0.033 0.000 1.087 339 A CA -0.636 51.468 52.037 0.113 0.000 0.802 339 A CB 0.150 19.243 19.000 0.155 0.000 1.042 339 A HN 0.508 nan 8.150 nan 0.000 0.489 340 L N 2.242 123.288 121.223 -0.295 0.000 2.477 340 L HA 0.336 4.676 4.340 -0.000 0.000 0.272 340 L C 1.295 178.173 176.870 0.013 0.000 1.157 340 L CA 1.189 55.956 54.840 -0.122 0.000 0.889 340 L CB 0.097 42.010 42.059 -0.243 0.000 1.158 340 L HN 0.897 nan 8.230 nan 0.000 0.473 341 G N 2.333 111.202 108.800 0.114 0.000 2.735 341 G HA2 0.547 4.507 3.960 -0.000 0.000 0.192 341 G HA3 0.547 4.507 3.960 -0.000 0.000 0.192 341 G C -0.081 174.961 174.900 0.238 0.000 1.547 341 G CA 0.026 45.207 45.100 0.136 0.000 1.080 341 G HN 0.837 nan 8.290 nan 0.000 0.569 342 A N -0.096 122.829 122.820 0.175 0.000 2.327 342 A HA 0.600 4.920 4.320 -0.000 0.000 0.255 342 A C -2.134 175.491 177.584 0.068 0.000 1.099 342 A CA -0.745 51.394 52.037 0.170 0.000 0.801 342 A CB -0.343 18.708 19.000 0.085 0.000 1.062 342 A HN 0.398 nan 8.150 nan 0.000 0.496 343 P HA 0.136 nan 4.420 nan 0.000 0.265 343 P C 0.358 177.527 177.300 -0.218 0.000 1.193 343 P CA 0.216 63.027 63.100 -0.482 0.000 0.765 343 P CB 0.760 32.230 31.700 -0.383 0.000 0.823 344 S N 1.650 117.228 115.700 -0.204 0.000 2.461 344 S HA 0.071 4.541 4.470 -0.000 0.000 0.228 344 S C 0.499 175.029 174.600 -0.117 0.000 1.005 344 S CA 0.531 58.668 58.200 -0.105 0.000 0.942 344 S CB -0.266 62.898 63.200 -0.060 0.000 0.776 344 S HN 0.394 nan 8.310 nan 0.000 0.514 345 L N 0.717 121.839 121.223 -0.168 0.000 2.565 345 L HA 0.465 4.805 4.340 -0.000 0.000 0.261 345 L C -2.059 174.681 176.870 -0.216 0.000 0.932 345 L CA -0.422 54.323 54.840 -0.158 0.000 0.878 345 L CB 1.330 43.311 42.059 -0.131 0.000 1.333 345 L HN 0.007 nan 8.230 nan 0.000 0.409 346 L N 5.594 126.683 121.223 -0.223 0.000 2.296 346 L HA 0.581 4.921 4.340 -0.000 0.000 0.286 346 L C -0.842 175.878 176.870 -0.250 0.000 1.023 346 L CA -0.594 54.053 54.840 -0.321 0.000 0.812 346 L CB 1.445 43.292 42.059 -0.353 0.000 1.223 346 L HN 0.482 nan 8.230 nan 0.000 0.421 347 L N 3.279 124.362 121.223 -0.234 0.000 2.287 347 L HA 0.553 4.893 4.340 -0.000 0.000 0.287 347 L C -0.247 176.557 176.870 -0.108 0.000 1.022 347 L CA -0.272 54.483 54.840 -0.143 0.000 0.814 347 L CB 1.809 43.809 42.059 -0.097 0.000 1.217 347 L HN 0.570 nan 8.230 nan 0.000 0.420 348 T N 1.371 115.763 114.554 -0.270 0.000 2.829 348 T HA 0.471 4.821 4.350 -0.000 0.000 0.280 348 T C 0.490 174.832 174.700 -0.596 0.000 0.999 348 T CA -0.553 61.385 62.100 -0.271 0.000 0.983 348 T CB 1.864 70.657 68.868 -0.125 0.000 0.968 348 T HN 0.708 nan 8.240 nan 0.000 0.446 349 G N 0.880 109.348 108.800 -0.553 0.000 2.667 349 G HA2 0.376 4.336 3.960 -0.000 0.000 0.250 349 G HA3 0.376 4.336 3.960 -0.000 0.000 0.250 349 G C 0.902 175.673 174.900 -0.216 0.000 1.212 349 G CA 0.032 44.821 45.100 -0.517 0.000 0.874 349 G HN 0.814 nan 8.290 nan 0.000 0.561 350 T N -2.993 111.484 114.554 -0.129 0.000 2.958 350 T HA 0.203 4.553 4.350 -0.000 0.000 0.256 350 T C 0.742 175.433 174.700 -0.015 0.000 0.983 350 T CA -0.058 62.004 62.100 -0.063 0.000 0.924 350 T CB 0.313 69.145 68.868 -0.060 0.000 1.136 350 T HN 0.412 nan 8.240 nan 0.000 0.506 351 Q N 1.618 121.434 119.800 0.026 0.000 2.243 351 Q HA 0.575 4.915 4.340 -0.000 0.000 0.252 351 Q C -0.720 175.297 176.000 0.028 0.000 0.909 351 Q CA -0.935 54.895 55.803 0.046 0.000 0.922 351 Q CB 1.107 29.907 28.738 0.103 0.000 1.215 351 Q HN 0.391 nan 8.270 nan 0.000 0.427 352 L N 5.197 126.395 121.223 -0.042 0.000 2.499 352 L HA 0.058 4.398 4.340 -0.000 0.000 0.273 352 L C -0.693 176.126 176.870 -0.085 0.000 1.195 352 L CA 0.881 55.598 54.840 -0.206 0.000 0.882 352 L CB -0.265 41.575 42.059 -0.366 0.000 1.133 352 L HN 0.797 nan 8.230 nan 0.000 0.483 353 Y N 1.768 122.116 120.300 0.079 0.000 4.409 353 Y HA -0.241 4.309 4.550 -0.000 0.000 0.228 353 Y C 1.668 177.661 175.900 0.155 0.000 1.108 353 Y CA 0.887 59.034 58.100 0.079 0.000 1.955 353 Y CB -2.246 36.227 38.460 0.023 0.000 1.615 353 Y HN 0.696 nan 8.280 nan 0.000 0.665 354 G N -0.075 108.900 108.800 0.291 0.000 2.421 354 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.217 354 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.217 354 G C 0.928 176.050 174.900 0.371 0.000 1.143 354 G CA 0.464 45.761 45.100 0.329 0.000 0.784 354 G HN 0.475 nan 8.290 nan 0.000 0.541 355 R N -1.471 119.227 120.500 0.330 0.000 3.423 355 R HA -0.189 4.151 4.340 -0.000 0.000 0.271 355 R C -0.204 176.254 176.300 0.264 0.000 1.093 355 R CA 0.224 56.496 56.100 0.285 0.000 0.730 355 R CB -2.476 28.005 30.300 0.301 0.000 1.190 355 R HN 0.387 nan 8.270 nan 0.000 0.437 356 F N 1.085 121.125 119.950 0.151 0.000 2.608 356 F HA 0.226 4.753 4.527 -0.000 0.000 0.380 356 F C 1.536 177.401 175.800 0.109 0.000 1.083 356 F CA 1.812 59.888 58.000 0.126 0.000 1.266 356 F CB 0.630 39.703 39.000 0.121 0.000 1.076 356 F HN 0.399 nan 8.300 nan 0.000 0.574 357 G N 3.328 111.822 108.800 -0.510 0.000 2.131 357 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.223 357 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.223 357 G C 0.979 175.831 174.900 -0.080 0.000 0.990 357 G CA 0.466 45.378 45.100 -0.313 0.000 0.671 357 G HN 0.982 nan 8.290 nan 0.000 0.521 358 S N -0.786 114.876 115.700 -0.063 0.000 2.436 358 S HA 0.584 5.053 4.470 -0.000 0.000 0.228 358 S C 1.194 175.815 174.600 0.034 0.000 1.014 358 S CA 1.821 60.014 58.200 -0.011 0.000 0.950 358 S CB -0.058 63.145 63.200 0.004 0.000 0.784 358 S HN 1.967 nan 8.310 nan 0.000 0.504 359 A N 0.506 123.280 122.820 -0.077 0.000 2.455 359 A HA 0.724 5.044 4.320 -0.000 0.000 0.300 359 A C -1.226 176.290 177.584 -0.113 0.000 1.040 359 A CA -0.668 51.301 52.037 -0.113 0.000 0.697 359 A CB 1.089 19.982 19.000 -0.178 0.000 1.265 359 A HN 0.377 nan 8.150 nan 0.000 0.407 360 I N 1.910 122.428 120.570 -0.087 0.000 2.439 360 I HA 0.571 4.741 4.170 -0.000 0.000 0.285 360 I C 0.241 176.338 176.117 -0.034 0.000 1.021 360 I CA -0.451 60.810 61.300 -0.066 0.000 1.091 360 I CB 1.984 39.948 38.000 -0.059 0.000 1.242 360 I HN 0.734 nan 8.210 nan 0.000 0.439 361 A N 7.997 130.812 122.820 -0.010 0.000 2.304 361 A HA 0.802 5.122 4.320 -0.000 0.000 0.314 361 A C -2.702 174.910 177.584 0.048 0.000 1.187 361 A CA -1.720 50.327 52.037 0.016 0.000 0.810 361 A CB 0.657 19.668 19.000 0.019 0.000 1.183 361 A HN 0.336 nan 8.150 nan 0.000 0.487 362 P HA 0.172 nan 4.420 nan 0.000 0.267 362 P C 0.217 177.565 177.300 0.080 0.000 1.205 362 P CA 0.149 63.290 63.100 0.069 0.000 0.765 362 P CB 0.560 32.297 31.700 0.062 0.000 0.828 363 L N 2.007 123.280 121.223 0.083 0.000 2.640 363 L HA 0.261 4.601 4.340 -0.000 0.000 0.230 363 L C 1.445 178.352 176.870 0.062 0.000 1.123 363 L CA 0.274 55.163 54.840 0.082 0.000 0.900 363 L CB -0.648 41.462 42.059 0.085 0.000 1.146 363 L HN 0.672 nan 8.230 nan 0.000 0.484 364 G N 0.786 109.621 108.800 0.058 0.000 2.601 364 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.252 364 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.252 364 G C -0.331 174.597 174.900 0.047 0.000 1.294 364 G CA -0.130 44.994 45.100 0.040 0.000 0.912 364 G HN 0.243 nan 8.290 nan 0.000 0.574 365 D N 0.602 121.015 120.400 0.021 0.000 2.441 365 D HA 0.392 5.032 4.640 -0.000 0.000 0.221 365 D C 1.490 177.810 176.300 0.033 0.000 1.156 365 D CA -0.402 53.613 54.000 0.026 0.000 0.896 365 D CB 0.947 41.738 40.800 -0.014 0.000 1.028 365 D HN 0.379 nan 8.370 nan 0.000 0.509 366 L N 3.765 125.033 121.223 0.076 0.000 2.056 366 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 366 L C 1.520 178.500 176.870 0.183 0.000 1.078 366 L CA 1.708 56.618 54.840 0.117 0.000 0.749 366 L CB 0.002 42.123 42.059 0.104 0.000 0.901 366 L HN 0.385 nan 8.230 nan 0.000 0.433 367 D N -1.690 118.796 120.400 0.144 0.000 2.369 367 D HA -0.032 4.608 4.640 -0.000 0.000 0.211 367 D C 0.416 176.788 176.300 0.120 0.000 1.077 367 D CA -0.233 53.873 54.000 0.176 0.000 0.842 367 D CB -0.160 40.716 40.800 0.127 0.000 0.947 367 D HN 0.288 nan 8.370 nan 0.000 0.509 368 R N 0.751 121.269 120.500 0.031 0.000 3.336 368 R HA -0.144 4.196 4.340 -0.000 0.000 0.260 368 R C -0.308 175.982 176.300 -0.017 0.000 1.032 368 R CA 0.961 57.031 56.100 -0.050 0.000 0.693 368 R CB -1.771 28.430 30.300 -0.166 0.000 1.134 368 R HN 0.380 nan 8.270 nan 0.000 0.433 369 D N -1.584 118.826 120.400 0.016 0.000 2.379 369 D HA 0.149 4.789 4.640 -0.000 0.000 0.208 369 D C 1.354 177.603 176.300 -0.084 0.000 1.065 369 D CA 0.747 54.758 54.000 0.019 0.000 0.848 369 D CB 0.469 41.334 40.800 0.108 0.000 0.949 369 D HN 0.405 nan 8.370 nan 0.000 0.509 370 G N -0.729 107.991 108.800 -0.135 0.000 2.278 370 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.210 370 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.210 370 G C -0.284 174.394 174.900 -0.370 0.000 1.000 370 G CA -0.299 44.622 45.100 -0.300 0.000 0.635 370 G HN 0.335 nan 8.290 nan 0.000 0.495 371 Y N 2.041 122.348 120.300 0.011 0.000 2.330 371 Y HA 0.588 5.138 4.550 -0.000 0.000 0.336 371 Y C 0.649 176.566 175.900 0.029 0.000 1.036 371 Y CA -1.157 56.956 58.100 0.021 0.000 1.125 371 Y CB 0.934 39.411 38.460 0.029 0.000 1.194 371 Y HN 0.030 nan 8.280 nan 0.000 0.469 372 N N 2.891 121.699 118.700 0.180 0.000 2.444 372 N HA 0.111 4.851 4.740 -0.000 0.000 0.255 372 N C -0.870 174.725 175.510 0.140 0.000 1.255 372 N CA 0.081 53.208 53.050 0.128 0.000 0.933 372 N CB 0.556 39.107 38.487 0.107 0.000 1.143 372 N HN 0.603 nan 8.380 nan 0.000 0.453 373 D N -0.020 120.451 120.400 0.118 0.000 2.523 373 D HA 0.547 5.186 4.640 -0.000 0.000 0.236 373 D C 0.170 176.543 176.300 0.121 0.000 1.094 373 D CA -0.366 53.710 54.000 0.126 0.000 0.942 373 D CB 1.961 42.831 40.800 0.117 0.000 1.447 373 D HN 0.462 nan 8.370 nan 0.000 0.479 374 I N -3.086 117.574 120.570 0.150 0.000 2.934 374 I HA 0.859 5.028 4.170 -0.000 0.000 0.306 374 I C -1.312 174.914 176.117 0.180 0.000 1.110 374 I CA -1.142 60.243 61.300 0.143 0.000 1.019 374 I CB 2.289 40.362 38.000 0.121 0.000 1.227 374 I HN 0.366 nan 8.210 nan 0.000 0.434 375 A N 3.577 126.475 122.820 0.130 0.000 2.355 375 A HA 0.842 5.162 4.320 -0.000 0.000 0.324 375 A C -1.023 176.618 177.584 0.095 0.000 1.117 375 A CA -0.651 51.459 52.037 0.122 0.000 0.785 375 A CB 1.800 20.827 19.000 0.045 0.000 1.254 375 A HN 0.575 nan 8.150 nan 0.000 0.453 376 V N 1.501 121.489 119.914 0.123 0.000 2.483 376 V HA 0.622 4.742 4.120 -0.000 0.000 0.297 376 V C 0.448 176.495 176.094 -0.078 0.000 1.027 376 V CA -0.454 61.818 62.300 -0.047 0.000 0.855 376 V CB 1.346 33.071 31.823 -0.164 0.000 0.995 376 V HN 1.250 nan 8.190 nan 0.000 0.424 377 A N 3.759 126.498 122.820 -0.135 0.000 2.363 377 A HA 0.817 5.137 4.320 -0.000 0.000 0.270 377 A C 0.417 177.982 177.584 -0.032 0.000 1.121 377 A CA 0.062 52.052 52.037 -0.079 0.000 0.800 377 A CB 0.839 19.771 19.000 -0.113 0.000 1.052 377 A HN 1.485 nan 8.150 nan 0.000 0.493 378 A N 4.296 127.179 122.820 0.105 0.000 2.802 378 A HA 0.646 4.966 4.320 -0.000 0.000 0.344 378 A C -2.073 175.601 177.584 0.150 0.000 1.215 378 A CA -1.334 50.824 52.037 0.201 0.000 0.821 378 A CB 0.443 19.648 19.000 0.342 0.000 1.099 378 A HN 0.487 nan 8.150 nan 0.000 0.479 379 P HA -0.124 nan 4.420 nan 0.000 0.221 379 P C -0.078 176.936 177.300 -0.477 0.000 1.145 379 P CA 1.610 64.597 63.100 -0.190 0.000 0.795 379 P CB -0.055 31.490 31.700 -0.258 0.000 0.775 380 Y N -2.113 118.304 120.300 0.194 0.000 2.715 380 Y HA 0.446 4.996 4.550 -0.000 0.000 0.255 380 Y C 1.536 177.540 175.900 0.173 0.000 1.139 380 Y CA -0.731 57.471 58.100 0.170 0.000 1.151 380 Y CB -0.040 38.512 38.460 0.154 0.000 1.201 380 Y HN -0.174 nan 8.280 nan 0.000 0.556 381 G N -0.119 108.834 108.800 0.255 0.000 2.535 381 G HA2 0.511 4.471 3.960 -0.000 0.000 0.282 381 G HA3 0.511 4.471 3.960 -0.000 0.000 0.282 381 G C 0.346 175.349 174.900 0.171 0.000 1.350 381 G CA 0.051 45.284 45.100 0.221 0.000 1.039 381 G HN 0.579 nan 8.290 nan 0.000 0.509 382 G N -1.517 107.365 108.800 0.136 0.000 2.755 382 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.686 382 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.686 382 G C -1.537 173.413 174.900 0.083 0.000 1.427 382 G CA -0.025 45.132 45.100 0.096 0.000 0.873 382 G HN 0.542 nan 8.290 nan 0.000 0.580 383 P HA -0.040 nan 4.420 nan 0.000 0.219 383 P C 1.766 179.100 177.300 0.057 0.000 1.146 383 P CA 2.180 65.310 63.100 0.049 0.000 0.808 383 P CB 0.064 31.784 31.700 0.033 0.000 0.779 384 S N -2.999 112.737 115.700 0.061 0.000 2.539 384 S HA 0.398 4.868 4.470 -0.000 0.000 0.221 384 S C 1.556 176.212 174.600 0.094 0.000 0.987 384 S CA 0.259 58.497 58.200 0.065 0.000 0.929 384 S CB -0.735 62.492 63.200 0.045 0.000 0.832 384 S HN 0.254 nan 8.310 nan 0.000 0.492 385 G N 2.277 111.150 108.800 0.121 0.000 2.155 385 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 385 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 385 G C 0.919 175.934 174.900 0.192 0.000 0.983 385 G CA 0.419 45.628 45.100 0.181 0.000 0.676 385 G HN 0.538 nan 8.290 nan 0.000 0.528 386 R N 0.334 120.909 120.500 0.126 0.000 2.235 386 R HA 0.356 4.696 4.340 -0.000 0.000 0.213 386 R C 1.435 177.797 176.300 0.104 0.000 1.059 386 R CA 0.960 57.119 56.100 0.099 0.000 0.997 386 R CB 0.018 30.344 30.300 0.043 0.000 0.884 386 R HN 1.504 nan 8.270 nan 0.000 0.462 387 G N 0.400 109.282 108.800 0.137 0.000 2.465 387 G HA2 -0.088 3.871 3.960 -0.000 0.000 0.681 387 G HA3 -0.088 3.871 3.960 -0.000 0.000 0.681 387 G C -1.599 173.494 174.900 0.322 0.000 1.340 387 G CA -0.876 44.369 45.100 0.242 0.000 0.884 387 G HN 0.105 nan 8.290 nan 0.000 0.650 388 Q N -0.889 119.170 119.800 0.433 0.000 2.403 388 Q HA 0.596 4.936 4.340 -0.000 0.000 0.267 388 Q C -1.592 174.606 176.000 0.330 0.000 0.991 388 Q CA -0.842 55.181 55.803 0.367 0.000 0.906 388 Q CB 2.692 31.566 28.738 0.228 0.000 1.422 388 Q HN 0.973 nan 8.270 nan 0.000 0.400 389 V N 4.077 124.173 119.914 0.304 0.000 2.531 389 V HA 0.532 4.651 4.120 -0.000 0.000 0.301 389 V C -1.128 175.007 176.094 0.069 0.000 1.034 389 V CA -0.668 61.704 62.300 0.120 0.000 0.865 389 V CB 1.596 33.413 31.823 -0.010 0.000 0.995 389 V HN 0.620 nan 8.190 nan 0.000 0.424 390 L N 5.538 126.808 121.223 0.079 0.000 2.333 390 L HA 0.603 4.943 4.340 -0.000 0.000 0.280 390 L C -0.152 176.622 176.870 -0.161 0.000 1.004 390 L CA -0.296 54.519 54.840 -0.042 0.000 0.820 390 L CB 1.891 43.993 42.059 0.072 0.000 1.247 390 L HN 0.370 nan 8.230 nan 0.000 0.416 391 V N 3.702 123.439 119.914 -0.296 0.000 2.465 391 V HA 0.405 4.525 4.120 -0.000 0.000 0.279 391 V C -0.546 175.288 176.094 -0.435 0.000 1.045 391 V CA -0.253 61.925 62.300 -0.204 0.000 0.938 391 V CB 0.921 32.680 31.823 -0.107 0.000 0.986 391 V HN 0.402 nan 8.190 nan 0.000 0.467 392 F N 4.850 124.829 119.950 0.048 0.000 2.445 392 F HA 0.537 5.064 4.527 -0.000 0.000 0.348 392 F C 0.128 175.953 175.800 0.042 0.000 1.125 392 F CA -0.584 57.444 58.000 0.047 0.000 0.983 392 F CB 1.219 40.252 39.000 0.054 0.000 1.198 392 F HN 0.208 nan 8.300 nan 0.000 0.436 393 L N 3.044 124.363 121.223 0.159 0.000 2.397 393 L HA 0.480 4.820 4.340 -0.000 0.000 0.271 393 L C 1.000 177.937 176.870 0.112 0.000 1.148 393 L CA -0.466 54.448 54.840 0.123 0.000 0.825 393 L CB 0.571 42.682 42.059 0.087 0.000 1.117 393 L HN 0.754 nan 8.230 nan 0.000 0.456 394 G N 1.757 110.622 108.800 0.108 0.000 2.537 394 G HA2 0.523 4.483 3.960 -0.000 0.000 0.273 394 G HA3 0.523 4.483 3.960 -0.000 0.000 0.273 394 G C -0.746 174.075 174.900 -0.133 0.000 1.189 394 G CA -0.244 44.884 45.100 0.047 0.000 0.881 394 G HN 0.741 nan 8.290 nan 0.000 0.535 395 Q N -1.961 117.589 119.800 -0.417 0.000 2.737 395 Q HA 0.476 4.816 4.340 -0.000 0.000 0.307 395 Q C 0.892 176.316 176.000 -0.960 0.000 0.905 395 Q CA -0.200 55.057 55.803 -0.911 0.000 0.753 395 Q CB 0.857 29.359 28.738 -0.394 0.000 1.463 395 Q HN 0.574 nan 8.270 nan 0.000 0.455 396 S N -0.388 114.808 115.700 -0.840 0.000 2.399 396 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 396 S C 0.884 175.399 174.600 -0.142 0.000 1.022 396 S CA 1.654 59.683 58.200 -0.285 0.000 0.983 396 S CB -0.454 62.706 63.200 -0.067 0.000 0.803 396 S HN 0.626 nan 8.310 nan 0.000 0.480 397 E N 1.037 121.145 120.200 -0.152 0.000 2.489 397 E HA 0.358 4.708 4.350 -0.000 0.000 0.193 397 E C 1.335 177.891 176.600 -0.073 0.000 1.057 397 E CA 0.237 56.587 56.400 -0.083 0.000 0.866 397 E CB 0.148 29.807 29.700 -0.068 0.000 0.916 397 E HN 0.706 nan 8.360 nan 0.000 0.500 398 G N 0.920 109.661 108.800 -0.097 0.000 1.920 398 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.210 398 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.210 398 G C -0.721 174.146 174.900 -0.055 0.000 1.302 398 G CA -0.689 44.377 45.100 -0.056 0.000 1.333 398 G HN 0.062 nan 8.290 nan 0.000 0.452 399 L N 1.018 122.218 121.223 -0.039 0.000 2.309 399 L HA 0.721 5.061 4.340 -0.000 0.000 0.261 399 L C 0.105 176.981 176.870 0.010 0.000 1.021 399 L CA -1.352 53.486 54.840 -0.004 0.000 0.823 399 L CB 1.934 43.987 42.059 -0.009 0.000 1.366 399 L HN 0.361 nan 8.230 nan 0.000 0.423 400 R N 0.359 120.907 120.500 0.080 0.000 2.441 400 R HA 0.155 4.495 4.340 -0.000 0.000 0.284 400 R C 0.822 177.215 176.300 0.155 0.000 1.070 400 R CA -0.190 55.968 56.100 0.096 0.000 1.047 400 R CB 1.183 31.548 30.300 0.108 0.000 1.016 400 R HN 0.666 nan 8.270 nan 0.000 0.477 401 S N 2.000 117.755 115.700 0.092 0.000 2.402 401 S HA -0.040 4.430 4.470 -0.000 0.000 0.229 401 S C 0.482 175.207 174.600 0.207 0.000 1.021 401 S CA 0.904 59.160 58.200 0.093 0.000 0.974 401 S CB 0.230 63.445 63.200 0.026 0.000 0.800 401 S HN 0.286 nan 8.310 nan 0.000 0.484 402 R N 2.316 122.916 120.500 0.167 0.000 2.297 402 R HA 0.440 4.780 4.340 -0.000 0.000 0.308 402 R C -2.718 173.637 176.300 0.091 0.000 1.029 402 R CA -2.866 53.309 56.100 0.123 0.000 0.929 402 R CB -0.003 30.326 30.300 0.047 0.000 1.046 402 R HN 0.299 nan 8.270 nan 0.000 0.461 403 P HA 0.052 nan 4.420 nan 0.000 0.275 403 P C 0.394 177.555 177.300 -0.231 0.000 1.227 403 P CA -0.175 62.634 63.100 -0.485 0.000 0.781 403 P CB 0.800 32.088 31.700 -0.686 0.000 0.906 404 S N 1.168 116.742 115.700 -0.210 0.000 2.461 404 S HA -0.059 4.411 4.470 -0.000 0.000 0.228 404 S C 0.681 175.222 174.600 -0.098 0.000 1.005 404 S CA 0.389 58.529 58.200 -0.100 0.000 0.942 404 S CB -0.226 62.942 63.200 -0.053 0.000 0.776 404 S HN 0.697 nan 8.310 nan 0.000 0.514 405 Q N -0.602 119.110 119.800 -0.148 0.000 2.479 405 Q HA 0.557 4.897 4.340 -0.000 0.000 0.276 405 Q C -2.469 173.455 176.000 -0.126 0.000 0.989 405 Q CA -0.670 55.069 55.803 -0.105 0.000 0.864 405 Q CB 2.111 30.805 28.738 -0.073 0.000 1.444 405 Q HN 0.142 nan 8.270 nan 0.000 0.388 406 V N 3.698 123.568 119.914 -0.075 0.000 2.531 406 V HA 0.487 4.607 4.120 -0.000 0.000 0.301 406 V C -0.715 175.368 176.094 -0.020 0.000 1.034 406 V CA -0.643 61.630 62.300 -0.044 0.000 0.865 406 V CB 1.746 33.557 31.823 -0.020 0.000 0.995 406 V HN 0.686 nan 8.190 nan 0.000 0.424 407 L N 4.322 125.544 121.223 -0.001 0.000 2.280 407 L HA 0.548 4.887 4.340 -0.000 0.000 0.287 407 L C -0.457 176.467 176.870 0.091 0.000 1.023 407 L CA -0.507 54.339 54.840 0.011 0.000 0.819 407 L CB 1.255 43.244 42.059 -0.117 0.000 1.212 407 L HN 0.530 nan 8.230 nan 0.000 0.420 408 D N 1.623 122.026 120.400 0.005 0.000 2.255 408 D HA 0.075 4.715 4.640 -0.000 0.000 0.249 408 D C 0.161 176.247 176.300 -0.357 0.000 1.078 408 D CA -0.036 53.914 54.000 -0.083 0.000 0.896 408 D CB 1.980 42.748 40.800 -0.053 0.000 1.194 408 D HN 0.350 nan 8.370 nan 0.000 0.429 409 S N 1.965 117.290 115.700 -0.625 0.000 2.546 409 S HA 0.055 4.524 4.470 -0.000 0.000 0.290 409 S C -1.467 172.826 174.600 -0.512 0.000 1.290 409 S CA -0.902 56.683 58.200 -1.024 0.000 1.069 409 S CB 0.545 63.417 63.200 -0.546 0.000 0.846 409 S HN 0.288 nan 8.310 nan 0.000 0.495 410 P HA 0.219 nan 4.420 nan 0.000 0.261 410 P C -0.442 176.487 177.300 -0.618 0.000 1.268 410 P CA 0.043 62.831 63.100 -0.520 0.000 0.833 410 P CB 0.013 31.415 31.700 -0.497 0.000 1.231 411 F N 1.312 121.157 119.950 -0.176 0.000 2.408 411 F HA 0.504 5.031 4.527 -0.000 0.000 0.325 411 F C -1.671 174.073 175.800 -0.093 0.000 1.082 411 F CA -2.769 55.152 58.000 -0.132 0.000 1.032 411 F CB -0.706 38.251 39.000 -0.071 0.000 1.259 411 F HN -0.271 nan 8.300 nan 0.000 0.503 412 P HA 0.111 nan 4.420 nan 0.000 0.275 412 P C -0.407 176.937 177.300 0.073 0.000 1.270 412 P CA -0.446 62.692 63.100 0.064 0.000 0.791 412 P CB 0.232 31.958 31.700 0.043 0.000 1.089 413 T N 0.175 114.765 114.554 0.059 0.000 2.946 413 T HA 0.309 4.659 4.350 -0.000 0.000 0.311 413 T C 1.313 176.057 174.700 0.072 0.000 1.063 413 T CA 1.843 63.989 62.100 0.077 0.000 1.139 413 T CB -0.693 68.217 68.868 0.070 0.000 0.994 413 T HN 0.809 nan 8.240 nan 0.000 0.547 414 G N 1.995 110.861 108.800 0.110 0.000 2.176 414 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.253 414 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.253 414 G C 1.283 176.162 174.900 -0.035 0.000 0.979 414 G CA 1.015 46.173 45.100 0.095 0.000 0.641 414 G HN 1.055 nan 8.290 nan 0.000 0.530 415 S N 0.075 115.744 115.700 -0.053 0.000 2.442 415 S HA 0.325 4.795 4.470 -0.000 0.000 0.236 415 S C 2.053 176.457 174.600 -0.326 0.000 1.007 415 S CA 1.750 59.855 58.200 -0.160 0.000 0.965 415 S CB -0.320 62.859 63.200 -0.036 0.000 0.773 415 S HN 2.428 nan 8.310 nan 0.000 0.504 416 A N -0.198 122.425 122.820 -0.328 0.000 2.869 416 A HA -0.193 4.127 4.320 -0.000 0.000 0.280 416 A C 0.168 177.655 177.584 -0.161 0.000 1.458 416 A CA 0.616 52.378 52.037 -0.459 0.000 0.776 416 A CB -3.008 15.531 19.000 -0.769 0.000 1.028 416 A HN 1.118 nan 8.150 nan 0.000 0.547 417 F N 0.389 120.249 119.950 -0.151 0.000 2.580 417 F HA 0.347 4.874 4.527 -0.000 0.000 0.398 417 F C 1.456 177.282 175.800 0.044 0.000 1.023 417 F CA 1.656 59.676 58.000 0.034 0.000 1.188 417 F CB -0.025 39.075 39.000 0.167 0.000 1.005 417 F HN 1.621 nan 8.300 nan 0.000 0.546 418 G N 5.216 113.691 108.800 -0.541 0.000 2.195 418 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.246 418 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.246 418 G C 0.881 175.699 174.900 -0.137 0.000 0.984 418 G CA 0.242 45.088 45.100 -0.423 0.000 0.633 418 G HN 0.814 nan 8.290 nan 0.000 0.525 419 F N 2.829 122.683 119.950 -0.161 0.000 2.236 419 F HA 0.120 4.647 4.527 -0.000 0.000 0.302 419 F C 1.541 177.274 175.800 -0.111 0.000 1.073 419 F CA 2.168 60.124 58.000 -0.073 0.000 1.336 419 F CB 0.106 39.133 39.000 0.045 0.000 1.040 419 F HN 0.553 nan 8.300 nan 0.000 0.507 420 S N -0.086 115.563 115.700 -0.086 0.000 2.548 420 S HA 0.741 5.210 4.470 -0.000 0.000 0.286 420 S C -1.080 173.442 174.600 -0.130 0.000 1.098 420 S CA -0.895 57.203 58.200 -0.170 0.000 0.930 420 S CB 2.455 65.593 63.200 -0.105 0.000 1.070 420 S HN 0.118 nan 8.310 nan 0.000 0.480 421 L N 0.962 122.109 121.223 -0.126 0.000 2.424 421 L HA 0.799 5.139 4.340 -0.000 0.000 0.258 421 L C -0.748 176.085 176.870 -0.062 0.000 0.995 421 L CA -0.846 53.943 54.840 -0.085 0.000 0.821 421 L CB 2.571 44.584 42.059 -0.077 0.000 1.383 421 L HN 0.767 nan 8.230 nan 0.000 0.410 422 R N -0.028 120.456 120.500 -0.027 0.000 2.594 422 R HA 0.759 5.099 4.340 -0.000 0.000 0.265 422 R C -0.930 175.521 176.300 0.253 0.000 1.070 422 R CA -0.107 56.015 56.100 0.037 0.000 0.909 422 R CB 2.182 32.411 30.300 -0.118 0.000 1.243 422 R HN 0.794 nan 8.270 nan 0.000 0.455 423 G N 0.364 109.372 108.800 0.348 0.000 3.058 423 G HA2 0.560 4.520 3.960 -0.000 0.000 0.282 423 G HA3 0.560 4.520 3.960 -0.000 0.000 0.282 423 G C -0.474 174.546 174.900 0.202 0.000 1.248 423 G CA -0.063 45.245 45.100 0.347 0.000 0.822 423 G HN 1.296 nan 8.290 nan 0.000 0.579 424 A N -2.441 120.410 122.820 0.051 0.000 2.899 424 A HA -0.008 4.312 4.320 -0.000 0.000 0.257 424 A C 0.182 177.665 177.584 -0.168 0.000 1.335 424 A CA 1.235 53.256 52.037 -0.026 0.000 0.924 424 A CB -2.069 16.946 19.000 0.026 0.000 1.105 424 A HN 1.722 nan 8.150 nan 0.000 0.765 425 V N 0.183 119.858 119.914 -0.398 0.000 2.709 425 V HA 0.550 4.670 4.120 -0.000 0.000 0.308 425 V C -0.451 175.304 176.094 -0.564 0.000 1.062 425 V CA -0.205 61.721 62.300 -0.623 0.000 0.901 425 V CB 2.014 33.128 31.823 -1.181 0.000 1.003 425 V HN 0.471 nan 8.190 nan 0.000 0.425 426 D N 3.132 123.313 120.400 -0.364 0.000 2.411 426 D HA 0.273 4.913 4.640 -0.000 0.000 0.225 426 D C 0.683 176.795 176.300 -0.312 0.000 1.156 426 D CA -0.018 53.824 54.000 -0.263 0.000 0.874 426 D CB 1.107 41.815 40.800 -0.155 0.000 1.034 426 D HN 0.530 nan 8.370 nan 0.000 0.502 427 I N 2.585 122.919 120.570 -0.393 0.000 2.500 427 I HA -0.113 4.056 4.170 -0.000 0.000 0.252 427 I C 1.024 176.787 176.117 -0.591 0.000 1.142 427 I CA 0.837 61.854 61.300 -0.472 0.000 1.451 427 I CB 0.366 38.042 38.000 -0.539 0.000 1.093 427 I HN 0.376 nan 8.210 nan 0.000 0.430 428 D N -1.280 118.803 120.400 -0.528 0.000 2.369 428 D HA -0.052 4.588 4.640 -0.000 0.000 0.211 428 D C 0.454 176.715 176.300 -0.065 0.000 1.077 428 D CA 0.119 53.942 54.000 -0.296 0.000 0.842 428 D CB -0.200 40.506 40.800 -0.156 0.000 0.947 428 D HN 0.250 nan 8.370 nan 0.000 0.509 429 D N 0.806 121.154 120.400 -0.087 0.000 2.835 429 D HA -0.195 4.445 4.640 -0.000 0.000 0.230 429 D C 0.361 176.668 176.300 0.011 0.000 1.130 429 D CA 1.002 54.984 54.000 -0.030 0.000 0.738 429 D CB -1.507 39.293 40.800 -0.000 0.000 1.090 429 D HN 0.454 nan 8.370 nan 0.000 0.433 430 N N -0.013 118.705 118.700 0.030 0.000 2.280 430 N HA 0.168 4.908 4.740 -0.000 0.000 0.192 430 N C 1.587 177.206 175.510 0.182 0.000 1.109 430 N CA 1.108 54.215 53.050 0.095 0.000 0.855 430 N CB 0.374 38.914 38.487 0.088 0.000 0.974 430 N HN 0.538 nan 8.380 nan 0.000 0.482 431 G N -0.661 108.194 108.800 0.091 0.000 2.175 431 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 431 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 431 G C -0.735 174.072 174.900 -0.155 0.000 0.982 431 G CA 0.214 45.303 45.100 -0.019 0.000 0.641 431 G HN 0.391 nan 8.290 nan 0.000 0.527 432 Y N 0.987 121.255 120.300 -0.054 0.000 2.425 432 Y HA 0.583 5.133 4.550 -0.000 0.000 0.344 432 Y C -2.163 173.692 175.900 -0.075 0.000 0.969 432 Y CA -2.519 55.552 58.100 -0.048 0.000 1.052 432 Y CB 2.462 40.906 38.460 -0.026 0.000 1.215 432 Y HN -0.036 nan 8.280 nan 0.000 0.451 433 P HA 0.144 nan 4.420 nan 0.000 0.279 433 P C -0.927 176.381 177.300 0.013 0.000 1.239 433 P CA -0.092 62.989 63.100 -0.032 0.000 0.789 433 P CB 1.640 33.317 31.700 -0.039 0.000 0.933 434 D N 1.520 121.899 120.400 -0.035 0.000 2.442 434 D HA 0.486 5.126 4.640 -0.000 0.000 0.254 434 D C -0.549 175.872 176.300 0.202 0.000 1.069 434 D CA -0.259 53.781 54.000 0.066 0.000 1.017 434 D CB 1.157 41.961 40.800 0.007 0.000 1.172 434 D HN 0.172 nan 8.370 nan 0.000 0.561 435 L N 1.156 122.544 121.223 0.274 0.000 2.376 435 L HA 0.436 4.776 4.340 -0.000 0.000 0.275 435 L C -0.864 176.215 176.870 0.347 0.000 0.987 435 L CA -0.671 54.353 54.840 0.306 0.000 0.828 435 L CB 1.146 43.328 42.059 0.206 0.000 1.249 435 L HN 0.345 nan 8.230 nan 0.000 0.409 436 I N 3.624 124.341 120.570 0.245 0.000 2.336 436 I HA 0.718 4.888 4.170 -0.000 0.000 0.292 436 I C -1.101 175.084 176.117 0.114 0.000 0.991 436 I CA -0.763 60.623 61.300 0.144 0.000 1.227 436 I CB 1.666 39.595 38.000 -0.119 0.000 1.366 436 I HN 0.290 nan 8.210 nan 0.000 0.466 437 V N 5.172 125.211 119.914 0.209 0.000 2.540 437 V HA 0.691 4.811 4.120 -0.000 0.000 0.302 437 V C 0.650 176.829 176.094 0.141 0.000 1.035 437 V CA -0.430 61.930 62.300 0.100 0.000 0.873 437 V CB 1.631 33.490 31.823 0.060 0.000 0.992 437 V HN 0.970 nan 8.190 nan 0.000 0.428 438 G N 2.529 111.351 108.800 0.036 0.000 2.356 438 G HA2 0.630 4.590 3.960 -0.000 0.000 0.322 438 G HA3 0.630 4.590 3.960 -0.000 0.000 0.322 438 G C -0.306 174.628 174.900 0.058 0.000 1.125 438 G CA -0.275 44.870 45.100 0.074 0.000 0.885 438 G HN 1.132 nan 8.290 nan 0.000 0.467 439 A N 2.532 125.354 122.820 0.003 0.000 2.802 439 A HA 0.466 4.785 4.320 -0.000 0.000 0.344 439 A C 0.552 178.048 177.584 -0.147 0.000 1.215 439 A CA -0.723 51.229 52.037 -0.142 0.000 0.821 439 A CB -0.098 18.625 19.000 -0.463 0.000 1.099 439 A HN 1.057 nan 8.150 nan 0.000 0.479 440 Y N 0.357 120.643 120.300 -0.023 0.000 2.274 440 Y HA -0.010 4.540 4.550 -0.000 0.000 0.290 440 Y C 1.686 177.591 175.900 0.009 0.000 1.145 440 Y CA 1.585 59.707 58.100 0.037 0.000 1.203 440 Y CB -0.772 37.756 38.460 0.112 0.000 0.984 440 Y HN 0.368 nan 8.280 nan 0.000 0.533 441 G N 0.453 108.914 108.800 -0.566 0.000 2.432 441 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.219 441 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.219 441 G C 1.571 176.385 174.900 -0.143 0.000 1.135 441 G CA 0.813 45.712 45.100 -0.336 0.000 0.767 441 G HN 0.697 nan 8.290 nan 0.000 0.550 442 A N 0.125 122.825 122.820 -0.199 0.000 2.345 442 A HA 0.282 4.602 4.320 -0.000 0.000 0.225 442 A C 1.130 178.638 177.584 -0.126 0.000 1.243 442 A CA 0.400 52.326 52.037 -0.184 0.000 0.875 442 A CB -0.162 18.624 19.000 -0.356 0.000 0.929 442 A HN 0.283 nan 8.150 nan 0.000 0.502 443 N N -0.215 118.475 118.700 -0.018 0.000 2.725 443 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 443 N C -0.340 175.263 175.510 0.154 0.000 1.103 443 N CA 1.470 54.585 53.050 0.108 0.000 0.707 443 N CB -1.305 37.204 38.487 0.037 0.000 1.043 443 N HN 0.811 nan 8.380 nan 0.000 0.553 444 Q N -0.957 118.917 119.800 0.123 0.000 2.501 444 Q HA 0.744 5.084 4.340 -0.000 0.000 0.288 444 Q C -0.885 175.287 176.000 0.287 0.000 1.051 444 Q CA -0.831 55.102 55.803 0.217 0.000 0.788 444 Q CB 2.756 31.494 28.738 -0.000 0.000 1.469 444 Q HN 0.007 nan 8.270 nan 0.000 0.416 445 V N 0.466 120.682 119.914 0.504 0.000 2.709 445 V HA 0.800 4.920 4.120 -0.000 0.000 0.308 445 V C -1.209 175.255 176.094 0.616 0.000 1.062 445 V CA -0.703 61.871 62.300 0.456 0.000 0.901 445 V CB 1.821 33.854 31.823 0.350 0.000 1.003 445 V HN 0.822 nan 8.190 nan 0.000 0.425 446 A N 4.051 127.231 122.820 0.601 0.000 2.304 446 A HA 0.830 5.150 4.320 -0.000 0.000 0.314 446 A C -0.821 176.929 177.584 0.276 0.000 1.187 446 A CA -0.516 51.820 52.037 0.499 0.000 0.810 446 A CB 1.362 20.764 19.000 0.670 0.000 1.183 446 A HN 0.681 nan 8.150 nan 0.000 0.487 447 V N 3.105 123.097 119.914 0.130 0.000 2.407 447 V HA 0.308 4.428 4.120 -0.000 0.000 0.278 447 V C -0.990 175.077 176.094 -0.045 0.000 1.037 447 V CA -0.211 62.200 62.300 0.184 0.000 0.900 447 V CB 0.406 32.454 31.823 0.376 0.000 0.983 447 V HN 0.738 nan 8.190 nan 0.000 0.459 448 Y N 3.840 124.236 120.300 0.160 0.000 2.331 448 Y HA 0.581 5.130 4.550 -0.000 0.000 0.338 448 Y C 0.597 176.545 175.900 0.080 0.000 0.992 448 Y CA -0.614 57.553 58.100 0.111 0.000 1.121 448 Y CB 1.412 39.944 38.460 0.121 0.000 1.184 448 Y HN 0.471 nan 8.280 nan 0.000 0.469 449 R N 1.956 122.556 120.500 0.166 0.000 2.312 449 R HA 0.694 5.033 4.340 -0.000 0.000 0.311 449 R C -0.453 175.887 176.300 0.067 0.000 1.004 449 R CA -0.756 55.393 56.100 0.081 0.000 0.902 449 R CB 1.131 31.460 30.300 0.050 0.000 1.073 449 R HN 0.792 nan 8.270 nan 0.000 0.457 450 A N 3.393 126.240 122.820 0.045 0.000 2.409 450 A HA 0.194 4.514 4.320 -0.000 0.000 0.262 450 A C -0.367 177.128 177.584 -0.147 0.000 1.113 450 A CA -0.292 51.749 52.037 0.006 0.000 0.790 450 A CB 0.564 19.623 19.000 0.098 0.000 1.046 450 A HN 0.522 nan 8.150 nan 0.000 0.496 451 Q N 1.328 120.980 119.800 -0.248 0.000 2.359 451 Q HA 0.507 4.847 4.340 -0.000 0.000 0.275 451 Q C -2.513 173.102 176.000 -0.642 0.000 1.082 451 Q CA -1.948 53.620 55.803 -0.391 0.000 0.849 451 Q CB 0.836 29.463 28.738 -0.184 0.000 1.377 451 Q HN 0.466 nan 8.270 nan 0.000 0.452 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 62.847 63.100 -0.422 0.000 0.800 452 P CB 0.000 31.589 31.700 -0.186 0.000 0.726