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 3hkc_1_A DATA FIRST_RESID 2 DATA SEQUENCE RECISIHVGQ AGVQIGNACW ELYCLEHGIQ PDGQMPXXXX XXXXXDSFNT DATA SEQUENCE FFSETGAGKH VPRAVFVDLE PTVIDEVRTG TYRQLFHPEQ LITGKEDAAN DATA SEQUENCE NYARGHYTIG KEIIDLVLDR IRKLADQCTG LQGFLVFHSF GGGTGSGFTS DATA SEQUENCE LLMERLSVDY GKKSKLEFSI YPAPQVSTAV VEPYNSILTT HTTLEHSDCA DATA SEQUENCE FMVDNEAIYD ICRRNLDIER PTYTNLNRLI GQIVSSITAS LRFDGALNVD DATA SEQUENCE LTEFQTNLVP YPRIHFPLAT YAPVISAEKA YHEQLSVAEI TNACFEPANQ DATA SEQUENCE MVKCDPRHGK YMACCLLYRG DVVPKDVNAA IATIKTKRTI QFVDWCPTGF DATA SEQUENCE KVGINYQPPT VVPGGDLAKV QRAVCMLSNT TAIAEAWARL DHKFDLMYAK DATA SEQUENCE RAFVHWYVGE GMEEGEFSEA REDMAALEKD YEEVGV 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.266 176.300 -0.057 0.000 0.893 2 R CA 0.000 56.079 56.100 -0.034 0.000 0.921 2 R CB 0.000 30.276 30.300 -0.040 0.000 0.687 3 E N 0.128 120.267 120.200 -0.102 0.000 3.188 3 E HA 0.412 4.762 4.350 -0.000 0.000 0.262 3 E C -0.662 175.797 176.600 -0.234 0.000 1.341 3 E CA -0.118 56.192 56.400 -0.149 0.000 1.140 3 E CB 0.885 30.494 29.700 -0.153 0.000 1.306 3 E HN 0.333 nan 8.360 nan 0.000 0.694 4 C N 0.867 119.968 119.300 -0.333 0.000 3.130 4 C HA 0.295 4.755 4.460 -0.000 0.000 0.386 4 C C -1.290 173.400 174.990 -0.500 0.000 1.064 4 C CA -0.473 58.255 59.018 -0.484 0.000 1.298 4 C CB -0.842 26.501 27.740 -0.662 0.000 1.675 4 C HN 0.538 nan 8.230 nan 0.000 0.527 5 I N 3.954 124.312 120.570 -0.354 0.000 2.371 5 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 5 I C 0.744 176.889 176.117 0.046 0.000 1.028 5 I CA 0.711 61.936 61.300 -0.124 0.000 1.345 5 I CB 1.478 39.482 38.000 0.007 0.000 1.407 5 I HN 0.557 nan 8.210 nan 0.000 0.501 6 S N 7.126 122.921 115.700 0.158 0.000 2.513 6 S HA 0.553 5.023 4.470 -0.000 0.000 0.276 6 S C -0.189 174.572 174.600 0.268 0.000 1.254 6 S CA -0.391 57.992 58.200 0.304 0.000 1.053 6 S CB 0.542 64.130 63.200 0.646 0.000 0.958 6 S HN 0.308 nan 8.310 nan 0.000 0.491 7 I N 3.412 124.080 120.570 0.163 0.000 2.436 7 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 7 I C -1.078 175.052 176.117 0.023 0.000 1.010 7 I CA -0.707 60.693 61.300 0.167 0.000 1.098 7 I CB 1.551 39.608 38.000 0.094 0.000 1.266 7 I HN 0.610 nan 8.210 nan 0.000 0.434 8 H N 4.666 123.873 119.070 0.228 0.000 2.762 8 H HA 0.456 5.012 4.556 -0.000 0.000 0.310 8 H C -0.595 174.747 175.328 0.023 0.000 1.004 8 H CA -0.596 55.484 56.048 0.053 0.000 1.267 8 H CB 1.838 31.375 29.762 -0.375 0.000 1.437 8 H HN 0.348 nan 8.280 nan 0.000 0.498 9 V N 2.313 122.351 119.914 0.206 0.000 2.513 9 V HA 0.922 5.042 4.120 -0.000 0.000 0.299 9 V C 0.306 176.497 176.094 0.162 0.000 1.035 9 V CA 0.406 62.824 62.300 0.197 0.000 0.889 9 V CB 0.916 32.930 31.823 0.318 0.000 0.988 9 V HN 1.087 nan 8.190 nan 0.000 0.440 10 G N 4.385 113.236 108.800 0.085 0.000 2.895 10 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 10 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 10 G C 0.113 175.007 174.900 -0.010 0.000 1.108 10 G CA 0.624 45.757 45.100 0.056 0.000 0.761 10 G HN 2.013 nan 8.290 nan 0.000 0.611 11 Q N 1.309 121.084 119.800 -0.042 0.000 2.207 11 Q HA -0.189 4.151 4.340 -0.000 0.000 0.215 11 Q C 2.596 178.515 176.000 -0.136 0.000 1.006 11 Q CA 3.949 59.696 55.803 -0.093 0.000 0.903 11 Q CB -0.255 28.427 28.738 -0.093 0.000 0.947 11 Q HN 1.973 nan 8.270 nan 0.000 0.414 12 A N 0.466 123.218 122.820 -0.114 0.000 1.826 12 A HA 0.094 4.414 4.320 -0.000 0.000 0.214 12 A C 2.482 180.036 177.584 -0.050 0.000 1.212 12 A CA 1.383 53.345 52.037 -0.125 0.000 0.605 12 A CB -1.739 17.215 19.000 -0.078 0.000 0.861 12 A HN 0.635 nan 8.150 nan 0.000 0.447 13 G N -0.248 108.576 108.800 0.039 0.000 2.759 13 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.224 13 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.224 13 G C 1.550 176.435 174.900 -0.026 0.000 1.173 13 G CA 2.056 47.229 45.100 0.121 0.000 0.770 13 G HN 0.419 nan 8.290 nan 0.000 0.626 14 V N 0.121 119.927 119.914 -0.180 0.000 2.261 14 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 14 V C 2.834 178.684 176.094 -0.408 0.000 1.047 14 V CA 2.550 64.567 62.300 -0.472 0.000 1.015 14 V CB -0.659 30.937 31.823 -0.378 0.000 0.642 14 V HN 0.458 nan 8.190 nan 0.000 0.446 15 Q N -0.974 118.690 119.800 -0.227 0.000 2.124 15 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 15 Q C 2.134 178.052 176.000 -0.136 0.000 0.977 15 Q CA 1.709 57.418 55.803 -0.157 0.000 0.850 15 Q CB -0.220 28.441 28.738 -0.128 0.000 0.901 15 Q HN 0.556 nan 8.270 nan 0.000 0.429 16 I N -0.047 120.453 120.570 -0.116 0.000 2.163 16 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 16 I C 2.104 178.103 176.117 -0.197 0.000 1.085 16 I CA 1.759 63.016 61.300 -0.073 0.000 1.347 16 I CB -0.830 37.205 38.000 0.058 0.000 1.044 16 I HN 0.278 nan 8.210 nan 0.000 0.408 17 G N -0.113 108.475 108.800 -0.353 0.000 2.511 17 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.216 17 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.216 17 G C 1.560 176.340 174.900 -0.199 0.000 1.218 17 G CA 1.100 45.827 45.100 -0.622 0.000 0.788 17 G HN 0.375 nan 8.290 nan 0.000 0.560 18 N N 1.365 120.001 118.700 -0.107 0.000 2.187 18 N HA -0.171 4.569 4.740 -0.000 0.000 0.194 18 N C 1.873 177.414 175.510 0.051 0.000 1.002 18 N CA 1.819 54.925 53.050 0.093 0.000 0.882 18 N CB -0.323 38.185 38.487 0.035 0.000 1.003 18 N HN 0.332 nan 8.380 nan 0.000 0.443 19 A N -1.479 121.322 122.820 -0.031 0.000 2.390 19 A HA 0.165 4.485 4.320 -0.000 0.000 0.232 19 A C 2.239 179.763 177.584 -0.100 0.000 1.233 19 A CA 0.447 52.472 52.037 -0.021 0.000 0.907 19 A CB -0.378 18.621 19.000 -0.002 0.000 0.967 19 A HN 0.608 nan 8.150 nan 0.000 0.512 20 C N -4.370 114.789 119.300 -0.234 0.000 2.820 20 C HA 0.244 4.704 4.460 -0.000 0.000 0.323 20 C C 1.951 176.445 174.990 -0.826 0.000 1.279 20 C CA -0.138 58.618 59.018 -0.437 0.000 1.790 20 C CB -1.721 25.767 27.740 -0.420 0.000 2.328 20 C HN 0.641 nan 8.230 nan 0.000 0.579 21 W N 2.479 123.418 121.300 -0.602 0.000 2.333 21 W HA -0.109 4.551 4.660 -0.000 0.000 0.316 21 W C 2.709 179.067 176.519 -0.268 0.000 1.215 21 W CA 2.325 59.374 57.345 -0.492 0.000 1.278 21 W CB -0.444 28.863 29.460 -0.253 0.000 1.154 21 W HN 0.520 nan 8.180 nan 0.000 0.486 22 E N 0.456 120.622 120.200 -0.057 0.000 2.136 22 E HA -0.326 4.024 4.350 -0.000 0.000 0.208 22 E C 1.994 178.650 176.600 0.094 0.000 1.035 22 E CA 2.182 58.561 56.400 -0.034 0.000 0.838 22 E CB -0.717 29.066 29.700 0.139 0.000 0.748 22 E HN 0.374 nan 8.360 nan 0.000 0.459 23 L N -0.400 120.842 121.223 0.032 0.000 2.179 23 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 23 L C 2.153 179.159 176.870 0.227 0.000 1.096 23 L CA 0.735 55.636 54.840 0.101 0.000 0.779 23 L CB -0.178 41.916 42.059 0.058 0.000 0.922 23 L HN 0.307 nan 8.230 nan 0.000 0.443 24 Y N -1.858 118.445 120.300 0.005 0.000 2.089 24 Y HA -0.377 4.173 4.550 -0.000 0.000 0.282 24 Y C 2.826 178.869 175.900 0.238 0.000 1.139 24 Y CA 0.890 59.036 58.100 0.078 0.000 1.123 24 Y CB -0.727 37.734 38.460 0.002 0.000 0.980 24 Y HN 0.267 nan 8.280 nan 0.000 0.493 25 C N 0.092 119.675 119.300 0.472 0.000 2.363 25 C HA -0.258 4.202 4.460 -0.000 0.000 0.274 25 C C 2.654 177.782 174.990 0.230 0.000 1.183 25 C CA 0.913 60.145 59.018 0.357 0.000 1.771 25 C CB -1.333 26.597 27.740 0.317 0.000 2.059 25 C HN 0.465 nan 8.230 nan 0.000 0.455 26 L N 0.371 121.710 121.223 0.193 0.000 2.141 26 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 26 L C 2.371 179.285 176.870 0.074 0.000 1.094 26 L CA 1.615 56.535 54.840 0.133 0.000 0.763 26 L CB -1.210 40.923 42.059 0.123 0.000 0.908 26 L HN 0.437 nan 8.230 nan 0.000 0.437 27 E N -1.519 118.708 120.200 0.045 0.000 2.150 27 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 27 E C 1.199 177.671 176.600 -0.214 0.000 0.985 27 E CA 0.675 57.034 56.400 -0.068 0.000 0.814 27 E CB 0.158 29.792 29.700 -0.109 0.000 0.752 27 E HN 0.543 nan 8.360 nan 0.000 0.466 28 H N -1.374 117.695 119.070 -0.001 0.000 2.542 28 H HA 0.196 4.752 4.556 -0.000 0.000 0.283 28 H C 0.713 175.953 175.328 -0.146 0.000 1.059 28 H CA 0.616 56.564 56.048 -0.165 0.000 1.162 28 H CB 0.885 30.479 29.762 -0.279 0.000 1.539 28 H HN 0.248 nan 8.280 nan 0.000 0.543 29 G N 2.054 110.879 108.800 0.041 0.000 2.356 29 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.296 29 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.296 29 G C 0.083 175.024 174.900 0.067 0.000 1.022 29 G CA 0.179 45.306 45.100 0.044 0.000 0.961 29 G HN 0.387 nan 8.290 nan 0.000 0.510 30 I N -0.067 120.571 120.570 0.113 0.000 2.315 30 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 30 I C 0.727 176.948 176.117 0.173 0.000 1.006 30 I CA -0.628 60.762 61.300 0.151 0.000 1.265 30 I CB 1.338 39.436 38.000 0.163 0.000 1.387 30 I HN 0.128 nan 8.210 nan 0.000 0.475 31 Q N 7.900 127.783 119.800 0.138 0.000 2.313 31 Q HA 0.117 4.457 4.340 -0.000 0.000 0.266 31 Q C -1.446 174.668 176.000 0.191 0.000 0.989 31 Q CA -1.248 54.638 55.803 0.139 0.000 0.890 31 Q CB 0.729 29.518 28.738 0.084 0.000 1.200 31 Q HN 0.340 nan 8.270 nan 0.000 0.396 32 P HA -0.377 nan 4.420 nan 0.000 0.229 32 P C 0.526 177.958 177.300 0.220 0.000 1.152 32 P CA 2.000 65.290 63.100 0.317 0.000 0.915 32 P CB -0.061 31.700 31.700 0.102 0.000 0.784 33 D N -2.502 117.972 120.400 0.124 0.000 2.271 33 D HA -0.156 4.484 4.640 -0.000 0.000 0.207 33 D C 1.617 177.978 176.300 0.102 0.000 0.983 33 D CA 1.699 55.751 54.000 0.088 0.000 0.878 33 D CB -0.602 40.224 40.800 0.044 0.000 0.920 33 D HN 0.382 nan 8.370 nan 0.000 0.479 34 G N -0.439 108.441 108.800 0.134 0.000 2.391 34 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.204 34 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.204 34 G C 0.596 175.534 174.900 0.064 0.000 1.012 34 G CA 0.436 45.619 45.100 0.139 0.000 0.651 34 G HN 0.860 nan 8.290 nan 0.000 0.494 35 Q N 0.809 120.607 119.800 -0.003 0.000 2.327 35 Q HA 0.780 5.120 4.340 -0.000 0.000 0.254 35 Q C 0.299 176.275 176.000 -0.039 0.000 0.952 35 Q CA 0.575 56.319 55.803 -0.098 0.000 0.884 35 Q CB 0.171 28.872 28.738 -0.062 0.000 1.224 35 Q HN 1.681 nan 8.270 nan 0.000 0.422 36 M N 1.155 120.705 119.600 -0.084 0.000 2.456 36 M HA 0.892 5.372 4.480 -0.000 0.000 0.324 36 M C -2.520 173.783 176.300 0.005 0.000 1.124 36 M CA -1.735 53.583 55.300 0.031 0.000 0.959 36 M CB 1.847 34.536 32.600 0.150 0.000 1.692 36 M HN 0.433 nan 8.290 nan 0.000 0.444 48 S N -2.545 113.196 115.700 0.067 0.000 4.078 48 S HA -0.208 4.262 4.470 -0.000 0.000 0.254 48 S C 1.152 175.845 174.600 0.155 0.000 1.830 48 S CA 2.269 60.569 58.200 0.167 0.000 4.164 48 S CB -2.206 61.164 63.200 0.283 0.000 0.248 48 S HN 2.023 nan 8.310 nan 0.000 0.456 49 F N 2.137 121.999 119.950 -0.146 0.000 2.765 49 F HA 0.525 5.052 4.527 -0.000 0.000 0.302 49 F C 1.338 177.074 175.800 -0.107 0.000 1.111 49 F CA 0.606 58.422 58.000 -0.307 0.000 1.359 49 F CB -0.548 38.001 39.000 -0.752 0.000 1.097 49 F HN 0.278 nan 8.300 nan 0.000 0.577 50 N N 1.240 119.695 118.700 -0.408 0.000 2.443 50 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 50 N C 2.063 177.537 175.510 -0.060 0.000 1.037 50 N CA 1.094 53.958 53.050 -0.311 0.000 0.896 50 N CB -0.173 38.158 38.487 -0.259 0.000 0.959 50 N HN 0.633 nan 8.380 nan 0.000 0.442 51 T N -0.978 113.601 114.554 0.042 0.000 2.822 51 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 51 T C 1.353 176.138 174.700 0.142 0.000 1.064 51 T CA 1.282 63.456 62.100 0.124 0.000 1.131 51 T CB -0.252 68.761 68.868 0.242 0.000 0.858 51 T HN 0.121 nan 8.240 nan 0.000 0.483 52 F N -1.772 118.176 119.950 -0.004 0.000 2.778 52 F HA 0.423 4.950 4.527 -0.000 0.000 0.314 52 F C -0.294 175.444 175.800 -0.103 0.000 1.073 52 F CA -1.083 56.898 58.000 -0.031 0.000 1.218 52 F CB 0.959 39.887 39.000 -0.120 0.000 1.037 52 F HN 0.056 nan 8.300 nan 0.000 0.594 53 F N -0.315 119.678 119.950 0.071 0.000 2.538 53 F HA 0.503 5.030 4.527 -0.000 0.000 0.325 53 F C 0.343 176.049 175.800 -0.158 0.000 1.066 53 F CA -1.687 56.286 58.000 -0.044 0.000 0.946 53 F CB 1.270 40.198 39.000 -0.119 0.000 1.199 53 F HN -0.346 nan 8.300 nan 0.000 0.473 54 S N -0.328 115.403 115.700 0.052 0.000 2.462 54 S HA 0.378 4.848 4.470 -0.000 0.000 0.294 54 S C -0.580 174.040 174.600 0.033 0.000 1.144 54 S CA -0.992 57.202 58.200 -0.010 0.000 1.088 54 S CB 1.175 64.353 63.200 -0.036 0.000 1.009 54 S HN 0.636 nan 8.310 nan 0.000 0.484 55 E N 2.588 122.794 120.200 0.010 0.000 1.881 55 E HA 0.283 4.633 4.350 -0.000 0.000 0.264 55 E C 0.534 177.179 176.600 0.076 0.000 1.243 55 E CA 0.040 56.506 56.400 0.110 0.000 0.965 55 E CB -0.122 29.623 29.700 0.076 0.000 1.055 55 E HN 0.838 nan 8.360 nan 0.000 0.412 56 T N 1.475 116.085 114.554 0.094 0.000 2.909 56 T HA 0.522 4.872 4.350 -0.000 0.000 0.286 56 T C 0.884 175.620 174.700 0.060 0.000 1.002 56 T CA 0.020 62.156 62.100 0.061 0.000 1.074 56 T CB 0.991 69.901 68.868 0.070 0.000 0.984 56 T HN 0.469 nan 8.240 nan 0.000 0.495 57 G N 0.740 109.566 108.800 0.043 0.000 2.581 57 G HA2 0.304 4.264 3.960 -0.000 0.000 0.291 57 G HA3 0.304 4.264 3.960 -0.000 0.000 0.291 57 G C 0.406 175.319 174.900 0.022 0.000 1.277 57 G CA 0.311 45.432 45.100 0.035 0.000 0.959 57 G HN 2.151 nan 8.290 nan 0.000 0.554 58 A N -0.719 122.109 122.820 0.014 0.000 2.842 58 A HA 0.834 5.154 4.320 -0.000 0.000 0.339 58 A C 0.953 178.529 177.584 -0.013 0.000 1.177 58 A CA 1.161 53.199 52.037 0.002 0.000 0.797 58 A CB 0.188 19.191 19.000 0.004 0.000 1.094 58 A HN 2.663 nan 8.150 nan 0.000 0.474 59 G N 1.089 109.868 108.800 -0.036 0.000 4.018 59 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.195 59 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.195 59 G C 0.463 175.288 174.900 -0.124 0.000 1.019 59 G CA -0.051 45.011 45.100 -0.065 0.000 0.871 59 G HN 0.614 nan 8.290 nan 0.000 0.339 60 K N -0.375 119.988 120.400 -0.063 0.000 2.318 60 K HA 0.669 4.989 4.320 -0.000 0.000 0.243 60 K C 0.101 176.708 176.600 0.012 0.000 1.047 60 K CA -0.340 55.935 56.287 -0.019 0.000 0.937 60 K CB 0.373 32.909 32.500 0.060 0.000 1.225 60 K HN 0.208 nan 8.250 nan 0.000 0.506 61 H N -0.493 118.621 119.070 0.073 0.000 3.192 61 H HA 0.102 4.658 4.556 -0.000 0.000 0.247 61 H C -1.127 174.309 175.328 0.180 0.000 1.203 61 H CA -0.482 55.613 56.048 0.079 0.000 0.973 61 H CB -0.374 29.408 29.762 0.033 0.000 2.500 61 H HN 0.332 nan 8.280 nan 0.000 0.678 62 V N 0.884 120.934 119.914 0.226 0.000 2.839 62 V HA 0.023 4.143 4.120 -0.000 0.000 0.296 62 V C -2.396 173.687 176.094 -0.019 0.000 1.239 62 V CA -0.853 61.493 62.300 0.077 0.000 1.349 62 V CB 0.209 32.060 31.823 0.048 0.000 0.852 62 V HN 0.041 nan 8.190 nan 0.000 0.504 63 P HA 0.221 nan 4.420 nan 0.000 0.270 63 P C -0.457 176.453 177.300 -0.649 0.000 1.223 63 P CA -0.108 62.420 63.100 -0.953 0.000 0.785 63 P CB 0.307 30.679 31.700 -2.214 0.000 0.923 64 R N 1.558 121.793 120.500 -0.441 0.000 2.825 64 R HA 0.613 4.953 4.340 -0.000 0.000 0.261 64 R C -0.454 175.718 176.300 -0.213 0.000 1.341 64 R CA -0.195 55.753 56.100 -0.254 0.000 1.353 64 R CB 0.082 30.284 30.300 -0.163 0.000 1.191 64 R HN 0.476 nan 8.270 nan 0.000 0.590 65 A N 1.363 123.980 122.820 -0.337 0.000 2.515 65 A HA 0.591 4.911 4.320 -0.000 0.000 0.298 65 A C -0.789 176.729 177.584 -0.110 0.000 1.059 65 A CA -0.734 51.177 52.037 -0.211 0.000 0.698 65 A CB 1.987 20.577 19.000 -0.683 0.000 1.289 65 A HN 0.316 nan 8.150 nan 0.000 0.404 66 V N -0.473 119.536 119.914 0.158 0.000 2.735 66 V HA 0.930 5.050 4.120 -0.000 0.000 0.310 66 V C -1.751 174.707 176.094 0.606 0.000 1.061 66 V CA -0.839 61.596 62.300 0.225 0.000 0.913 66 V CB 1.531 33.452 31.823 0.162 0.000 1.005 66 V HN 0.701 nan 8.190 nan 0.000 0.428 67 F N 4.496 124.524 119.950 0.130 0.000 2.449 67 F HA 0.819 5.346 4.527 -0.000 0.000 0.342 67 F C 0.037 175.884 175.800 0.078 0.000 1.127 67 F CA -1.147 56.929 58.000 0.125 0.000 0.975 67 F CB 2.082 41.123 39.000 0.068 0.000 1.146 67 F HN 0.631 nan 8.300 nan 0.000 0.444 68 V N 0.938 120.974 119.914 0.204 0.000 2.735 68 V HA 0.783 4.903 4.120 -0.000 0.000 0.310 68 V C -1.116 174.973 176.094 -0.009 0.000 1.061 68 V CA -0.633 61.711 62.300 0.072 0.000 0.913 68 V CB 2.265 34.116 31.823 0.046 0.000 1.005 68 V HN 0.584 nan 8.190 nan 0.000 0.428 69 D N 1.542 121.898 120.400 -0.073 0.000 2.655 69 D HA 0.545 5.185 4.640 -0.000 0.000 0.229 69 D C -0.070 176.148 176.300 -0.137 0.000 1.229 69 D CA -0.550 53.396 54.000 -0.090 0.000 0.807 69 D CB 2.522 43.290 40.800 -0.053 0.000 1.514 69 D HN 0.350 nan 8.370 nan 0.000 0.444 70 L N 1.260 122.402 121.223 -0.135 0.000 2.509 70 L HA 0.196 4.536 4.340 -0.000 0.000 0.222 70 L C 1.009 177.832 176.870 -0.079 0.000 1.123 70 L CA 0.461 55.222 54.840 -0.132 0.000 0.856 70 L CB -0.198 41.776 42.059 -0.142 0.000 0.985 70 L HN 0.453 nan 8.230 nan 0.000 0.456 71 E N -1.286 118.878 120.200 -0.059 0.000 2.227 71 E HA 0.305 4.655 4.350 -0.000 0.000 0.268 71 E C -2.319 174.257 176.600 -0.039 0.000 0.990 71 E CA -1.970 54.405 56.400 -0.042 0.000 0.856 71 E CB 1.384 31.064 29.700 -0.034 0.000 1.159 71 E HN -0.205 nan 8.360 nan 0.000 0.401 72 P HA -0.134 nan 4.420 nan 0.000 0.206 72 P C 0.680 177.965 177.300 -0.024 0.000 1.209 72 P CA 1.771 64.855 63.100 -0.025 0.000 0.923 72 P CB -0.172 31.515 31.700 -0.021 0.000 0.761 73 T N -0.416 114.125 114.554 -0.021 0.000 7.154 73 T HA -0.309 4.041 4.350 -0.000 0.000 0.250 73 T C 1.612 176.298 174.700 -0.023 0.000 1.622 73 T CA 2.942 65.030 62.100 -0.020 0.000 1.565 73 T CB -2.223 66.634 68.868 -0.019 0.000 1.801 73 T HN -0.068 nan 8.240 nan 0.000 0.676 74 V N 1.307 121.204 119.914 -0.029 0.000 2.453 74 V HA -0.060 4.060 4.120 -0.000 0.000 0.247 74 V C 2.525 178.602 176.094 -0.028 0.000 1.048 74 V CA 1.570 63.848 62.300 -0.036 0.000 1.049 74 V CB -0.721 31.068 31.823 -0.057 0.000 0.672 74 V HN 0.443 nan 8.190 nan 0.000 0.457 75 I N 0.865 121.425 120.570 -0.016 0.000 2.394 75 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 75 I C 2.120 178.229 176.117 -0.014 0.000 1.136 75 I CA 1.391 62.697 61.300 0.010 0.000 1.425 75 I CB -1.263 36.752 38.000 0.025 0.000 1.079 75 I HN 0.325 nan 8.210 nan 0.000 0.425 76 D N 1.245 121.632 120.400 -0.022 0.000 2.117 76 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 76 D C 2.342 178.621 176.300 -0.035 0.000 0.987 76 D CA 1.623 55.606 54.000 -0.028 0.000 0.829 76 D CB -0.011 40.776 40.800 -0.023 0.000 0.961 76 D HN 0.459 nan 8.370 nan 0.000 0.460 77 E N 0.304 120.485 120.200 -0.031 0.000 2.209 77 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 77 E C 2.143 178.716 176.600 -0.045 0.000 0.993 77 E CA 1.366 57.748 56.400 -0.031 0.000 0.819 77 E CB -0.936 28.752 29.700 -0.021 0.000 0.745 77 E HN 0.226 nan 8.360 nan 0.000 0.477 78 V N 1.197 121.073 119.914 -0.064 0.000 2.323 78 V HA -0.157 3.963 4.120 -0.000 0.000 0.244 78 V C 2.259 178.256 176.094 -0.162 0.000 1.041 78 V CA 1.635 63.858 62.300 -0.128 0.000 1.025 78 V CB -0.620 31.091 31.823 -0.186 0.000 0.656 78 V HN 0.692 nan 8.190 nan 0.000 0.451 79 R N 0.031 120.454 120.500 -0.130 0.000 2.823 79 R HA 0.200 4.540 4.340 -0.000 0.000 0.250 79 R C 1.179 177.436 176.300 -0.072 0.000 1.332 79 R CA 0.625 56.660 56.100 -0.109 0.000 1.259 79 R CB -0.273 29.974 30.300 -0.089 0.000 1.225 79 R HN 0.354 nan 8.270 nan 0.000 0.545 80 T N -0.811 113.704 114.554 -0.065 0.000 3.182 80 T HA 0.214 4.564 4.350 -0.000 0.000 0.244 80 T C 0.647 175.316 174.700 -0.051 0.000 0.981 80 T CA 0.540 62.611 62.100 -0.049 0.000 1.182 80 T CB 0.308 69.154 68.868 -0.038 0.000 1.043 80 T HN 0.492 nan 8.240 nan 0.000 0.424 81 G N 2.165 110.932 108.800 -0.054 0.000 2.379 81 G HA2 0.506 4.466 3.960 -0.000 0.000 0.327 81 G HA3 0.506 4.466 3.960 -0.000 0.000 0.327 81 G C -0.262 174.582 174.900 -0.093 0.000 1.145 81 G CA -0.412 44.648 45.100 -0.067 0.000 0.905 81 G HN 0.385 nan 8.290 nan 0.000 0.466 82 T N 0.542 115.012 114.554 -0.140 0.000 2.923 82 T HA -0.051 4.299 4.350 -0.000 0.000 0.320 82 T C 0.600 175.136 174.700 -0.274 0.000 1.074 82 T CA 1.106 63.099 62.100 -0.178 0.000 1.131 82 T CB 0.153 68.895 68.868 -0.210 0.000 1.058 82 T HN 0.907 nan 8.240 nan 0.000 0.535 83 Y N -1.629 118.672 120.300 0.001 0.000 3.722 83 Y HA -0.310 4.240 4.550 -0.000 0.000 0.376 83 Y C 2.267 178.111 175.900 -0.093 0.000 1.345 83 Y CA 0.383 58.483 58.100 0.001 0.000 1.711 83 Y CB -1.323 37.124 38.460 -0.023 0.000 0.829 83 Y HN 0.603 nan 8.280 nan 0.000 0.398 84 R N 1.296 121.805 120.500 0.016 0.000 2.178 84 R HA -0.291 4.049 4.340 -0.000 0.000 0.257 84 R C 1.472 177.764 176.300 -0.013 0.000 1.163 84 R CA 2.484 58.555 56.100 -0.049 0.000 0.981 84 R CB -0.109 30.163 30.300 -0.048 0.000 0.878 84 R HN 0.493 nan 8.270 nan 0.000 0.454 85 Q N -0.228 119.599 119.800 0.045 0.000 2.269 85 Q HA -0.069 4.271 4.340 -0.000 0.000 0.201 85 Q C 2.029 178.090 176.000 0.102 0.000 0.946 85 Q CA 0.397 56.228 55.803 0.046 0.000 0.877 85 Q CB -0.079 28.688 28.738 0.048 0.000 0.963 85 Q HN 0.245 nan 8.270 nan 0.000 0.472 86 L N 0.190 121.548 121.223 0.225 0.000 1.961 86 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 86 L C 0.983 178.026 176.870 0.288 0.000 1.072 86 L CA 1.546 56.574 54.840 0.314 0.000 0.749 86 L CB -0.736 41.612 42.059 0.482 0.000 0.889 86 L HN 0.003 nan 8.230 nan 0.000 0.432 87 F N -1.544 118.323 119.950 -0.139 0.000 2.408 87 F HA 0.122 4.649 4.527 -0.000 0.000 0.303 87 F C 0.488 176.214 175.800 -0.122 0.000 1.268 87 F CA -0.492 57.390 58.000 -0.196 0.000 1.218 87 F CB 0.028 38.832 39.000 -0.327 0.000 1.283 87 F HN 0.006 nan 8.300 nan 0.000 0.545 88 H N 1.635 120.736 119.070 0.053 0.000 2.459 88 H HA 0.195 4.751 4.556 -0.000 0.000 0.332 88 H C -1.624 173.708 175.328 0.007 0.000 1.094 88 H CA -1.698 54.358 56.048 0.013 0.000 1.224 88 H CB 1.554 31.301 29.762 -0.024 0.000 1.449 88 H HN 0.088 nan 8.280 nan 0.000 0.484 89 P HA -0.289 nan 4.420 nan 0.000 0.219 89 P C 0.963 178.299 177.300 0.059 0.000 1.151 89 P CA 1.501 64.618 63.100 0.029 0.000 0.850 89 P CB 0.400 32.109 31.700 0.015 0.000 0.784 90 E N 0.461 120.724 120.200 0.105 0.000 2.435 90 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 90 E C 1.457 178.086 176.600 0.047 0.000 1.029 90 E CA 0.626 57.065 56.400 0.065 0.000 0.865 90 E CB -0.599 29.133 29.700 0.053 0.000 0.833 90 E HN 0.399 nan 8.360 nan 0.000 0.510 91 Q N 0.742 120.572 119.800 0.050 0.000 2.451 91 Q HA 0.201 4.541 4.340 -0.000 0.000 0.206 91 Q C 0.362 176.386 176.000 0.039 0.000 0.947 91 Q CA 0.296 56.109 55.803 0.016 0.000 0.937 91 Q CB 0.152 28.862 28.738 -0.046 0.000 1.025 91 Q HN 0.251 nan 8.270 nan 0.000 0.511 92 L N 1.630 122.881 121.223 0.046 0.000 2.276 92 L HA 0.457 4.797 4.340 -0.000 0.000 0.286 92 L C -0.673 176.237 176.870 0.066 0.000 1.024 92 L CA -0.665 54.222 54.840 0.078 0.000 0.826 92 L CB 0.779 42.856 42.059 0.030 0.000 1.211 92 L HN 0.006 nan 8.230 nan 0.000 0.422 93 I N 2.270 122.889 120.570 0.082 0.000 2.412 93 I HA 0.530 4.700 4.170 -0.000 0.000 0.296 93 I C 0.403 176.520 176.117 0.000 0.000 0.987 93 I CA -0.119 61.200 61.300 0.032 0.000 1.180 93 I CB 2.054 40.070 38.000 0.027 0.000 1.340 93 I HN 0.515 nan 8.210 nan 0.000 0.455 94 T N 2.531 117.072 114.554 -0.023 0.000 2.912 94 T HA 0.656 5.006 4.350 -0.000 0.000 0.299 94 T C 0.228 174.894 174.700 -0.058 0.000 1.052 94 T CA -0.513 61.562 62.100 -0.041 0.000 0.996 94 T CB 1.635 70.489 68.868 -0.023 0.000 1.070 94 T HN 0.753 nan 8.240 nan 0.000 0.465 95 G N 1.950 110.706 108.800 -0.074 0.000 3.863 95 G HA2 0.280 4.240 3.960 -0.000 0.000 0.290 95 G HA3 0.280 4.240 3.960 -0.000 0.000 0.290 95 G C 0.767 175.634 174.900 -0.055 0.000 1.018 95 G CA 0.200 45.253 45.100 -0.078 0.000 0.824 95 G HN 0.893 nan 8.290 nan 0.000 0.507 96 K N -0.819 119.556 120.400 -0.041 0.000 7.382 96 K HA -0.279 4.041 4.320 -0.000 0.000 0.476 96 K C 0.523 177.107 176.600 -0.026 0.000 0.371 96 K CA 2.219 58.489 56.287 -0.028 0.000 1.942 96 K CB -0.756 31.731 32.500 -0.021 0.000 0.717 96 K HN 0.562 nan 8.250 nan 0.000 0.835 97 E N 1.199 121.382 120.200 -0.028 0.000 2.207 97 E HA 0.204 4.554 4.350 -0.000 0.000 0.270 97 E C -0.590 175.991 176.600 -0.031 0.000 0.927 97 E CA -0.705 55.681 56.400 -0.022 0.000 0.799 97 E CB 1.418 31.111 29.700 -0.012 0.000 1.172 97 E HN 0.170 nan 8.360 nan 0.000 0.404 98 D N 1.811 122.196 120.400 -0.026 0.000 2.363 98 D HA 0.087 4.727 4.640 -0.000 0.000 0.240 98 D C 0.330 176.615 176.300 -0.026 0.000 1.236 98 D CA 0.533 54.515 54.000 -0.030 0.000 0.927 98 D CB 1.353 42.137 40.800 -0.027 0.000 1.150 98 D HN 0.560 nan 8.370 nan 0.000 0.458 99 A N 0.988 123.794 122.820 -0.023 0.000 2.081 99 A HA 0.349 4.669 4.320 -0.000 0.000 0.214 99 A C 1.159 178.735 177.584 -0.012 0.000 1.158 99 A CA 1.193 53.225 52.037 -0.008 0.000 0.724 99 A CB -0.350 18.655 19.000 0.008 0.000 0.826 99 A HN 0.979 nan 8.150 nan 0.000 0.463 100 A N -0.259 122.542 122.820 -0.031 0.000 2.687 100 A HA -0.201 4.119 4.320 -0.000 0.000 0.299 100 A C 0.626 178.161 177.584 -0.081 0.000 1.497 100 A CA 0.927 52.924 52.037 -0.066 0.000 0.751 100 A CB -2.379 16.569 19.000 -0.086 0.000 1.048 100 A HN 1.097 nan 8.150 nan 0.000 0.464 101 N N -1.600 117.079 118.700 -0.035 0.000 2.741 101 N HA -0.205 4.535 4.740 -0.000 0.000 0.251 101 N C -0.404 175.114 175.510 0.013 0.000 1.112 101 N CA 1.755 54.793 53.050 -0.020 0.000 0.750 101 N CB -1.248 37.193 38.487 -0.076 0.000 1.119 101 N HN 1.548 nan 8.380 nan 0.000 0.561 102 N N -1.099 117.617 118.700 0.027 0.000 2.287 102 N HA 0.094 4.834 4.740 -0.000 0.000 0.289 102 N C 0.549 176.195 175.510 0.228 0.000 1.066 102 N CA -0.663 52.445 53.050 0.097 0.000 0.841 102 N CB 0.478 38.798 38.487 -0.277 0.000 1.599 102 N HN -0.017 nan 8.380 nan 0.000 0.476 103 Y N 2.966 123.458 120.300 0.320 0.000 2.081 103 Y HA -0.205 4.345 4.550 -0.000 0.000 0.280 103 Y C 2.315 178.374 175.900 0.265 0.000 1.163 103 Y CA 3.203 61.469 58.100 0.277 0.000 1.135 103 Y CB -0.523 38.095 38.460 0.263 0.000 0.970 103 Y HN 0.745 nan 8.280 nan 0.000 0.498 104 A N 0.553 123.727 122.820 0.590 0.000 1.909 104 A HA -0.388 3.932 4.320 -0.000 0.000 0.221 104 A C 2.277 180.041 177.584 0.300 0.000 1.223 104 A CA 2.701 55.061 52.037 0.539 0.000 0.658 104 A CB -1.095 18.220 19.000 0.524 0.000 0.831 104 A HN 0.607 nan 8.150 nan 0.000 0.462 105 R N -0.986 119.614 120.500 0.167 0.000 2.070 105 R HA -0.044 4.296 4.340 -0.000 0.000 0.233 105 R C 2.365 178.709 176.300 0.074 0.000 1.137 105 R CA 1.863 58.032 56.100 0.115 0.000 0.945 105 R CB -0.985 29.350 30.300 0.058 0.000 0.845 105 R HN 0.465 nan 8.270 nan 0.000 0.430 106 G N -0.879 107.942 108.800 0.035 0.000 2.459 106 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.217 106 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.217 106 G C 1.306 176.187 174.900 -0.031 0.000 1.183 106 G CA 1.437 46.549 45.100 0.020 0.000 0.776 106 G HN 0.520 nan 8.290 nan 0.000 0.552 107 H N -0.778 118.077 119.070 -0.359 0.000 2.293 107 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 107 H C 2.206 177.326 175.328 -0.346 0.000 1.082 107 H CA 2.112 57.819 56.048 -0.567 0.000 1.308 107 H CB -0.084 28.933 29.762 -1.242 0.000 1.375 107 H HN 0.515 nan 8.280 nan 0.000 0.495 108 Y N -2.117 118.224 120.300 0.068 0.000 2.464 108 Y HA 0.080 4.630 4.550 -0.000 0.000 0.288 108 Y C 2.517 178.445 175.900 0.047 0.000 1.133 108 Y CA 0.767 58.912 58.100 0.075 0.000 1.223 108 Y CB 0.332 38.889 38.460 0.162 0.000 1.187 108 Y HN 0.150 nan 8.280 nan 0.000 0.539 109 T N -0.140 114.542 114.554 0.214 0.000 3.031 109 T HA -0.018 4.332 4.350 -0.000 0.000 0.236 109 T C 1.589 176.339 174.700 0.083 0.000 1.005 109 T CA 0.677 62.863 62.100 0.143 0.000 1.230 109 T CB -0.454 68.498 68.868 0.140 0.000 0.913 109 T HN 0.058 nan 8.240 nan 0.000 0.419 110 I N 1.600 122.207 120.570 0.061 0.000 3.251 110 I HA 0.220 4.390 4.170 -0.000 0.000 0.277 110 I C 2.089 178.210 176.117 0.005 0.000 1.268 110 I CA 0.415 61.728 61.300 0.023 0.000 1.449 110 I CB -0.267 37.736 38.000 0.005 0.000 1.083 110 I HN 0.326 nan 8.210 nan 0.000 0.464 111 G N -0.316 108.504 108.800 0.032 0.000 2.408 111 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.213 111 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.213 111 G C 1.630 176.573 174.900 0.072 0.000 1.177 111 G CA 0.408 45.554 45.100 0.076 0.000 0.802 111 G HN 0.293 nan 8.290 nan 0.000 0.533 112 K N 0.183 120.600 120.400 0.030 0.000 2.248 112 K HA -0.262 4.058 4.320 -0.000 0.000 0.208 112 K C 2.206 178.825 176.600 0.030 0.000 1.044 112 K CA 1.938 58.239 56.287 0.024 0.000 0.933 112 K CB 0.031 32.558 32.500 0.046 0.000 0.723 112 K HN 0.261 nan 8.250 nan 0.000 0.475 113 E N -0.069 120.148 120.200 0.028 0.000 2.060 113 E HA -0.089 4.261 4.350 -0.000 0.000 0.189 113 E C 1.980 178.587 176.600 0.013 0.000 0.974 113 E CA 0.798 57.207 56.400 0.015 0.000 0.808 113 E CB -0.103 29.599 29.700 0.004 0.000 0.768 113 E HN 0.289 nan 8.360 nan 0.000 0.453 114 I N 1.370 121.943 120.570 0.004 0.000 3.226 114 I HA -0.054 4.116 4.170 -0.000 0.000 0.277 114 I C 2.021 178.179 176.117 0.069 0.000 1.243 114 I CA 0.113 61.404 61.300 -0.016 0.000 1.459 114 I CB 0.024 37.942 38.000 -0.136 0.000 1.093 114 I HN 0.056 nan 8.210 nan 0.000 0.453 115 I N 0.652 121.317 120.570 0.158 0.000 2.361 115 I HA -0.306 3.864 4.170 -0.000 0.000 0.251 115 I C 1.455 177.627 176.117 0.091 0.000 1.133 115 I CA 1.832 63.261 61.300 0.215 0.000 1.413 115 I CB -0.448 37.629 38.000 0.128 0.000 1.073 115 I HN 0.238 nan 8.210 nan 0.000 0.424 116 D N 0.047 120.477 120.400 0.050 0.000 2.224 116 D HA -0.151 4.489 4.640 -0.000 0.000 0.205 116 D C 1.869 178.186 176.300 0.028 0.000 0.965 116 D CA 0.477 54.491 54.000 0.024 0.000 0.852 116 D CB 0.157 40.964 40.800 0.012 0.000 0.947 116 D HN 0.179 nan 8.370 nan 0.000 0.494 117 L N 0.015 121.260 121.223 0.036 0.000 2.131 117 L HA -0.010 4.330 4.340 -0.000 0.000 0.206 117 L C 1.881 178.779 176.870 0.047 0.000 1.087 117 L CA 1.184 56.043 54.840 0.032 0.000 0.767 117 L CB -0.310 41.761 42.059 0.020 0.000 0.917 117 L HN -0.060 nan 8.230 nan 0.000 0.441 118 V N -0.616 119.345 119.914 0.078 0.000 2.307 118 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 118 V C 2.500 178.640 176.094 0.076 0.000 1.045 118 V CA 1.733 64.096 62.300 0.105 0.000 1.024 118 V CB -0.606 31.347 31.823 0.218 0.000 0.651 118 V HN 0.393 nan 8.190 nan 0.000 0.449 119 L N 0.393 121.652 121.223 0.059 0.000 2.131 119 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 119 L C 2.168 179.064 176.870 0.044 0.000 1.092 119 L CA 2.136 56.993 54.840 0.028 0.000 0.759 119 L CB -0.413 41.644 42.059 -0.004 0.000 0.903 119 L HN 0.467 nan 8.230 nan 0.000 0.435 120 D N -0.412 120.010 120.400 0.036 0.000 2.081 120 D HA -0.246 4.394 4.640 -0.000 0.000 0.194 120 D C 2.312 178.638 176.300 0.044 0.000 0.986 120 D CA 1.535 55.555 54.000 0.033 0.000 0.837 120 D CB -0.082 40.731 40.800 0.022 0.000 0.985 120 D HN 0.079 nan 8.370 nan 0.000 0.448 121 R N -0.526 119.998 120.500 0.040 0.000 2.133 121 R HA -0.164 4.176 4.340 -0.000 0.000 0.247 121 R C 2.576 178.903 176.300 0.044 0.000 1.151 121 R CA 1.302 57.424 56.100 0.035 0.000 0.971 121 R CB -0.461 29.861 30.300 0.036 0.000 0.866 121 R HN 0.335 nan 8.270 nan 0.000 0.447 122 I N -0.247 120.360 120.570 0.061 0.000 2.127 122 I HA -0.319 3.851 4.170 -0.000 0.000 0.241 122 I C 2.541 178.730 176.117 0.119 0.000 1.075 122 I CA 1.453 62.800 61.300 0.078 0.000 1.334 122 I CB -0.119 37.908 38.000 0.044 0.000 1.040 122 I HN 0.087 nan 8.210 nan 0.000 0.405 123 R N 0.526 121.117 120.500 0.151 0.000 2.105 123 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 123 R C 2.221 178.579 176.300 0.097 0.000 1.135 123 R CA 1.439 57.646 56.100 0.179 0.000 0.967 123 R CB -0.129 30.255 30.300 0.140 0.000 0.861 123 R HN 0.145 nan 8.270 nan 0.000 0.442 124 K N -0.081 120.350 120.400 0.053 0.000 2.113 124 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 124 K C 1.778 178.379 176.600 0.001 0.000 1.047 124 K CA 1.400 57.697 56.287 0.016 0.000 0.928 124 K CB -0.058 32.439 32.500 -0.004 0.000 0.716 124 K HN 0.173 nan 8.250 nan 0.000 0.446 125 L N -0.631 120.597 121.223 0.008 0.000 2.095 125 L HA -0.077 4.263 4.340 -0.000 0.000 0.204 125 L C 2.388 179.254 176.870 -0.007 0.000 1.080 125 L CA 0.934 55.764 54.840 -0.017 0.000 0.759 125 L CB -0.450 41.597 42.059 -0.020 0.000 0.914 125 L HN 0.230 nan 8.230 nan 0.000 0.439 126 A N -0.194 122.650 122.820 0.040 0.000 2.019 126 A HA -0.250 4.069 4.320 -0.000 0.000 0.219 126 A C 1.776 179.384 177.584 0.039 0.000 1.164 126 A CA 1.996 54.060 52.037 0.046 0.000 0.644 126 A CB -0.508 18.593 19.000 0.169 0.000 0.805 126 A HN 0.337 nan 8.150 nan 0.000 0.449 127 D N -0.237 120.186 120.400 0.039 0.000 2.144 127 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 127 D C 1.615 177.915 176.300 -0.001 0.000 0.984 127 D CA 1.438 55.452 54.000 0.023 0.000 0.834 127 D CB -0.075 40.735 40.800 0.015 0.000 0.955 127 D HN 0.741 nan 8.370 nan 0.000 0.465 128 Q N 0.441 120.231 119.800 -0.018 0.000 2.936 128 Q HA 0.226 4.566 4.340 -0.000 0.000 0.383 128 Q C -1.081 174.896 176.000 -0.039 0.000 1.167 128 Q CA -0.137 55.648 55.803 -0.029 0.000 1.038 128 Q CB -0.211 28.504 28.738 -0.038 0.000 1.409 128 Q HN 0.080 nan 8.270 nan 0.000 0.448 129 C N 1.829 121.109 119.300 -0.034 0.000 2.571 129 C HA 0.300 4.760 4.460 -0.000 0.000 0.343 129 C C 0.450 175.418 174.990 -0.037 0.000 1.082 129 C CA -0.662 58.327 59.018 -0.049 0.000 1.339 129 C CB 1.223 28.920 27.740 -0.072 0.000 1.893 129 C HN 0.604 nan 8.230 nan 0.000 0.445 130 T N -0.386 114.147 114.554 -0.034 0.000 3.781 130 T HA 0.483 4.833 4.350 -0.000 0.000 0.286 130 T C 0.991 175.673 174.700 -0.030 0.000 1.277 130 T CA 0.631 62.716 62.100 -0.025 0.000 1.136 130 T CB -0.141 68.715 68.868 -0.020 0.000 1.202 130 T HN 1.668 nan 8.240 nan 0.000 0.884 131 G N 1.609 110.389 108.800 -0.033 0.000 2.327 131 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.159 131 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.159 131 G C -0.238 174.619 174.900 -0.071 0.000 1.056 131 G CA -0.518 44.558 45.100 -0.040 0.000 0.751 131 G HN 0.968 nan 8.290 nan 0.000 0.488 132 L N -0.023 121.143 121.223 -0.095 0.000 2.543 132 L HA 0.423 4.763 4.340 -0.000 0.000 0.285 132 L C 1.359 178.107 176.870 -0.202 0.000 1.236 132 L CA 1.512 56.249 54.840 -0.172 0.000 0.871 132 L CB 0.730 42.660 42.059 -0.216 0.000 1.121 132 L HN 0.455 nan 8.230 nan 0.000 0.501 133 Q N 2.989 122.637 119.800 -0.253 0.000 2.123 133 Q HA 0.359 4.699 4.340 -0.000 0.000 0.193 133 Q C 0.491 176.292 176.000 -0.331 0.000 0.981 133 Q CA 0.722 56.393 55.803 -0.220 0.000 0.833 133 Q CB 0.338 28.982 28.738 -0.156 0.000 0.914 133 Q HN 0.976 nan 8.270 nan 0.000 0.484 134 G N -1.237 107.275 108.800 -0.480 0.000 2.731 134 G HA2 0.499 4.459 3.960 -0.000 0.000 0.309 134 G HA3 0.499 4.459 3.960 -0.000 0.000 0.309 134 G C -1.717 172.644 174.900 -0.897 0.000 1.273 134 G CA -0.785 43.964 45.100 -0.585 0.000 0.798 134 G HN 0.177 nan 8.290 nan 0.000 0.509 135 F N 0.064 119.925 119.950 -0.148 0.000 2.529 135 F HA 0.555 5.082 4.527 -0.000 0.000 0.320 135 F C -0.015 175.734 175.800 -0.086 0.000 1.118 135 F CA -0.721 57.200 58.000 -0.132 0.000 0.915 135 F CB 2.443 41.354 39.000 -0.149 0.000 1.161 135 F HN 0.019 nan 8.300 nan 0.000 0.445 136 L N 4.804 126.122 121.223 0.159 0.000 2.264 136 L HA 0.464 4.804 4.340 -0.000 0.000 0.287 136 L C -0.787 176.173 176.870 0.151 0.000 1.039 136 L CA -0.793 54.131 54.840 0.139 0.000 0.829 136 L CB 1.179 43.389 42.059 0.253 0.000 1.211 136 L HN 0.339 nan 8.230 nan 0.000 0.427 137 V N 4.211 124.156 119.914 0.051 0.000 2.364 137 V HA 0.315 4.435 4.120 -0.000 0.000 0.272 137 V C -0.181 175.963 176.094 0.083 0.000 1.036 137 V CA -0.228 62.104 62.300 0.054 0.000 0.880 137 V CB 1.065 32.853 31.823 -0.059 0.000 0.991 137 V HN 0.325 nan 8.190 nan 0.000 0.460 138 F N 5.812 125.757 119.950 -0.008 0.000 2.420 138 F HA 0.680 5.207 4.527 -0.000 0.000 0.342 138 F C 0.443 176.386 175.800 0.237 0.000 1.113 138 F CA -0.316 57.757 58.000 0.122 0.000 1.059 138 F CB 1.060 40.056 39.000 -0.007 0.000 1.128 138 F HN 0.697 nan 8.300 nan 0.000 0.475 139 H N -1.079 118.106 119.070 0.192 0.000 3.042 139 H HA 0.464 5.020 4.556 -0.000 0.000 0.346 139 H C -1.468 173.930 175.328 0.116 0.000 1.294 139 H CA -1.478 54.656 56.048 0.143 0.000 1.141 139 H CB 0.648 30.486 29.762 0.126 0.000 1.872 139 H HN 0.407 nan 8.280 nan 0.000 0.541 140 S N 0.953 116.681 115.700 0.046 0.000 2.565 140 S HA 0.224 4.694 4.470 -0.000 0.000 0.276 140 S C 1.003 175.618 174.600 0.025 0.000 1.326 140 S CA -0.739 57.466 58.200 0.008 0.000 1.045 140 S CB 0.853 64.098 63.200 0.074 0.000 0.918 140 S HN 0.569 nan 8.310 nan 0.000 0.505 141 F N 1.689 121.597 119.950 -0.070 0.000 2.094 141 F HA 0.154 4.681 4.527 -0.000 0.000 0.291 141 F C 1.898 177.749 175.800 0.084 0.000 1.109 141 F CA 0.486 58.485 58.000 -0.002 0.000 1.221 141 F CB -0.317 38.710 39.000 0.046 0.000 1.014 141 F HN 0.775 nan 8.300 nan 0.000 0.473 142 G N -0.774 108.178 108.800 0.253 0.000 2.543 142 G HA2 0.446 4.406 3.960 -0.000 0.000 0.290 142 G HA3 0.446 4.406 3.960 -0.000 0.000 0.290 142 G C -0.562 174.430 174.900 0.153 0.000 1.310 142 G CA 0.123 45.313 45.100 0.151 0.000 1.025 142 G HN 0.698 nan 8.290 nan 0.000 0.502 143 G N -2.264 106.610 108.800 0.124 0.000 2.721 143 G HA2 0.330 4.290 3.960 -0.000 0.000 0.686 143 G HA3 0.330 4.290 3.960 -0.000 0.000 0.686 143 G C 0.952 175.937 174.900 0.142 0.000 1.236 143 G CA 0.068 45.231 45.100 0.105 0.000 0.786 143 G HN 1.596 nan 8.290 nan 0.000 0.616 144 G N 0.037 108.898 108.800 0.102 0.000 2.604 144 G HA2 0.108 4.068 3.960 -0.000 0.000 0.216 144 G HA3 0.108 4.068 3.960 -0.000 0.000 0.216 144 G C 2.156 177.133 174.900 0.129 0.000 1.265 144 G CA 2.958 48.120 45.100 0.104 0.000 0.804 144 G HN 2.182 nan 8.290 nan 0.000 0.579 145 T N -1.127 113.491 114.554 0.106 0.000 2.942 145 T HA 0.167 4.517 4.350 -0.000 0.000 0.265 145 T C 2.444 177.278 174.700 0.223 0.000 1.062 145 T CA 1.560 63.743 62.100 0.138 0.000 1.139 145 T CB -0.516 68.388 68.868 0.061 0.000 0.883 145 T HN 0.324 nan 8.240 nan 0.000 0.468 146 G N 1.683 110.613 108.800 0.217 0.000 2.469 146 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 146 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 146 G C 1.984 177.132 174.900 0.413 0.000 1.150 146 G CA 1.671 46.950 45.100 0.298 0.000 0.763 146 G HN 0.737 nan 8.290 nan 0.000 0.561 147 S N 0.506 116.428 115.700 0.370 0.000 2.325 147 S HA 0.138 4.608 4.470 -0.000 0.000 0.214 147 S C 2.503 177.331 174.600 0.380 0.000 1.031 147 S CA 1.373 59.849 58.200 0.461 0.000 0.972 147 S CB -1.043 62.448 63.200 0.485 0.000 0.908 147 S HN 0.451 nan 8.310 nan 0.000 0.453 148 G N 0.758 109.672 108.800 0.190 0.000 2.414 148 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.215 148 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.215 148 G C 1.320 176.173 174.900 -0.078 0.000 1.188 148 G CA 0.767 45.722 45.100 -0.241 0.000 0.783 148 G HN 0.480 nan 8.290 nan 0.000 0.537 149 F N 1.800 121.704 119.950 -0.078 0.000 2.206 149 F HA -0.012 4.515 4.527 -0.000 0.000 0.298 149 F C 2.904 178.667 175.800 -0.063 0.000 1.090 149 F CA 1.859 59.806 58.000 -0.089 0.000 1.323 149 F CB -0.164 38.802 39.000 -0.057 0.000 1.028 149 F HN 0.105 nan 8.300 nan 0.000 0.492 150 T N -0.593 113.925 114.554 -0.059 0.000 2.684 150 T HA -0.263 4.087 4.350 -0.000 0.000 0.267 150 T C 2.157 176.718 174.700 -0.231 0.000 1.036 150 T CA 1.594 63.579 62.100 -0.192 0.000 1.148 150 T CB -0.722 68.064 68.868 -0.138 0.000 0.863 150 T HN 0.350 nan 8.240 nan 0.000 0.436 151 S N 0.976 116.646 115.700 -0.050 0.000 2.398 151 S HA -0.156 4.314 4.470 -0.000 0.000 0.220 151 S C 2.025 176.582 174.600 -0.072 0.000 1.038 151 S CA 1.585 59.812 58.200 0.045 0.000 1.080 151 S CB -0.780 62.581 63.200 0.268 0.000 1.039 151 S HN 0.334 nan 8.310 nan 0.000 0.419 152 L N 1.517 122.669 121.223 -0.119 0.000 2.151 152 L HA -0.133 4.207 4.340 -0.000 0.000 0.215 152 L C 2.258 178.861 176.870 -0.444 0.000 1.084 152 L CA 1.694 56.293 54.840 -0.400 0.000 0.764 152 L CB -0.512 41.134 42.059 -0.688 0.000 0.891 152 L HN 0.469 nan 8.230 nan 0.000 0.435 153 L N -1.721 119.157 121.223 -0.574 0.000 1.973 153 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 153 L C 2.520 179.176 176.870 -0.357 0.000 1.073 153 L CA 1.845 56.364 54.840 -0.536 0.000 0.746 153 L CB -0.320 41.384 42.059 -0.592 0.000 0.891 153 L HN 0.327 nan 8.230 nan 0.000 0.433 154 M N -0.426 118.993 119.600 -0.302 0.000 2.144 154 M HA -0.235 4.245 4.480 -0.000 0.000 0.260 154 M C 2.003 178.114 176.300 -0.316 0.000 1.067 154 M CA 1.591 56.752 55.300 -0.232 0.000 1.095 154 M CB -1.122 31.396 32.600 -0.137 0.000 1.365 154 M HN 0.342 nan 8.290 nan 0.000 0.406 155 E N -0.053 119.877 120.200 -0.449 0.000 2.023 155 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 155 E C 2.182 178.562 176.600 -0.367 0.000 1.003 155 E CA 0.937 56.931 56.400 -0.676 0.000 0.809 155 E CB -0.384 29.062 29.700 -0.423 0.000 0.755 155 E HN 0.436 nan 8.360 nan 0.000 0.449 156 R N 0.642 120.984 120.500 -0.263 0.000 2.092 156 R HA -0.023 4.317 4.340 -0.000 0.000 0.231 156 R C 2.557 178.779 176.300 -0.130 0.000 1.119 156 R CA 0.639 56.631 56.100 -0.180 0.000 0.970 156 R CB -0.677 29.514 30.300 -0.182 0.000 0.864 156 R HN 0.233 nan 8.270 nan 0.000 0.440 157 L N -0.083 121.057 121.223 -0.139 0.000 2.093 157 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 157 L C 2.439 179.343 176.870 0.057 0.000 1.085 157 L CA 1.044 55.857 54.840 -0.044 0.000 0.755 157 L CB -0.395 41.535 42.059 -0.214 0.000 0.904 157 L HN 0.078 nan 8.230 nan 0.000 0.435 158 S N -0.958 114.734 115.700 -0.014 0.000 2.440 158 S HA -0.122 4.348 4.470 -0.000 0.000 0.238 158 S C 1.803 176.431 174.600 0.047 0.000 1.010 158 S CA 0.919 59.156 58.200 0.061 0.000 0.972 158 S CB -0.008 63.266 63.200 0.123 0.000 0.774 158 S HN 0.187 nan 8.310 nan 0.000 0.501 159 V N 0.848 120.751 119.914 -0.019 0.000 2.426 159 V HA -0.010 4.110 4.120 -0.000 0.000 0.242 159 V C 1.600 177.644 176.094 -0.083 0.000 1.036 159 V CA 1.487 63.764 62.300 -0.038 0.000 1.044 159 V CB -0.568 31.221 31.823 -0.058 0.000 0.688 159 V HN 0.328 nan 8.190 nan 0.000 0.462 160 D N -1.178 119.127 120.400 -0.158 0.000 2.348 160 D HA -0.042 4.598 4.640 -0.000 0.000 0.216 160 D C -0.177 175.768 176.300 -0.592 0.000 0.970 160 D CA 0.915 54.682 54.000 -0.388 0.000 0.889 160 D CB -0.039 40.450 40.800 -0.519 0.000 0.912 160 D HN 0.576 nan 8.370 nan 0.000 0.524 161 Y N -0.886 119.438 120.300 0.041 0.000 2.628 161 Y HA 0.363 4.913 4.550 -0.000 0.000 0.354 161 Y C 1.429 177.371 175.900 0.070 0.000 1.061 161 Y CA -1.046 57.109 58.100 0.092 0.000 1.251 161 Y CB 1.346 39.945 38.460 0.231 0.000 1.098 161 Y HN -0.169 nan 8.280 nan 0.000 0.626 162 G N 2.343 111.224 108.800 0.136 0.000 2.777 162 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 162 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 162 G C 1.402 176.352 174.900 0.083 0.000 1.295 162 G CA 1.485 46.636 45.100 0.084 0.000 0.800 162 G HN 0.481 nan 8.290 nan 0.000 0.637 163 K N 0.321 120.762 120.400 0.069 0.000 1.979 163 K HA 0.071 4.391 4.320 -0.000 0.000 0.213 163 K C 0.470 177.102 176.600 0.053 0.000 1.036 163 K CA 0.617 56.931 56.287 0.046 0.000 0.954 163 K CB -0.230 32.286 32.500 0.026 0.000 0.743 163 K HN 0.027 nan 8.250 nan 0.000 0.443 164 K N 2.507 122.932 120.400 0.043 0.000 4.634 164 K HA -0.149 4.171 4.320 -0.000 0.000 0.377 164 K C -0.537 176.073 176.600 0.018 0.000 0.733 164 K CA 0.565 56.857 56.287 0.008 0.000 0.858 164 K CB -1.542 30.983 32.500 0.041 0.000 2.004 164 K HN 0.340 nan 8.250 nan 0.000 0.310 165 S N 2.735 118.415 115.700 -0.034 0.000 2.576 165 S HA 0.212 4.682 4.470 -0.000 0.000 0.272 165 S C 0.318 174.911 174.600 -0.012 0.000 1.352 165 S CA -0.359 57.822 58.200 -0.032 0.000 1.021 165 S CB 1.071 64.240 63.200 -0.051 0.000 0.887 165 S HN 0.421 nan 8.310 nan 0.000 0.542 166 K N 0.485 120.863 120.400 -0.036 0.000 2.443 166 K HA 0.524 4.844 4.320 -0.000 0.000 0.252 166 K C -1.746 174.762 176.600 -0.152 0.000 0.933 166 K CA -0.551 55.722 56.287 -0.023 0.000 0.792 166 K CB 1.576 34.082 32.500 0.010 0.000 1.185 166 K HN 0.291 nan 8.250 nan 0.000 0.425 167 L N 3.210 124.336 121.223 -0.162 0.000 2.319 167 L HA 0.255 4.595 4.340 -0.000 0.000 0.281 167 L C -0.462 176.254 176.870 -0.256 0.000 1.005 167 L CA -0.215 54.440 54.840 -0.308 0.000 0.828 167 L CB 1.467 43.345 42.059 -0.302 0.000 1.227 167 L HN 0.614 nan 8.230 nan 0.000 0.415 168 E N 3.059 123.062 120.200 -0.329 0.000 2.204 168 E HA 0.378 4.728 4.350 -0.000 0.000 0.276 168 E C -1.385 175.062 176.600 -0.255 0.000 0.974 168 E CA -0.562 55.735 56.400 -0.172 0.000 0.815 168 E CB 1.316 30.993 29.700 -0.039 0.000 1.119 168 E HN 0.330 nan 8.360 nan 0.000 0.393 169 F N 2.353 122.156 119.950 -0.245 0.000 2.310 169 F HA 0.247 4.774 4.527 -0.000 0.000 0.365 169 F C -0.273 175.447 175.800 -0.133 0.000 1.080 169 F CA -0.480 57.396 58.000 -0.207 0.000 1.187 169 F CB 1.371 40.057 39.000 -0.523 0.000 1.465 169 F HN 0.333 nan 8.300 nan 0.000 0.496 170 S N 3.028 118.659 115.700 -0.116 0.000 2.584 170 S HA 0.475 4.945 4.470 -0.000 0.000 0.273 170 S C -0.093 174.368 174.600 -0.231 0.000 1.311 170 S CA -0.380 57.529 58.200 -0.486 0.000 1.034 170 S CB 1.191 63.692 63.200 -1.165 0.000 0.939 170 S HN 0.326 nan 8.310 nan 0.000 0.513 171 I N 2.889 123.349 120.570 -0.183 0.000 2.412 171 I HA 0.183 4.353 4.170 -0.000 0.000 0.279 171 I C -0.473 175.773 176.117 0.214 0.000 1.063 171 I CA -0.374 60.963 61.300 0.061 0.000 1.193 171 I CB 0.075 38.120 38.000 0.076 0.000 1.370 171 I HN 0.622 nan 8.210 nan 0.000 0.479 172 Y N 9.404 129.823 120.300 0.197 0.000 2.650 172 Y HA 0.195 4.745 4.550 -0.000 0.000 0.331 172 Y C -2.002 173.984 175.900 0.143 0.000 1.165 172 Y CA -1.585 56.705 58.100 0.316 0.000 1.473 172 Y CB 0.395 38.983 38.460 0.214 0.000 1.224 172 Y HN 0.357 nan 8.280 nan 0.000 0.533 173 P HA 0.312 nan 4.420 nan 0.000 0.278 173 P C -1.596 175.559 177.300 -0.241 0.000 1.238 173 P CA -0.352 62.646 63.100 -0.171 0.000 0.794 173 P CB 1.555 33.146 31.700 -0.183 0.000 0.955 174 A N 4.456 127.207 122.820 -0.115 0.000 2.356 174 A HA 0.588 4.908 4.320 -0.000 0.000 0.310 174 A C -1.792 175.714 177.584 -0.130 0.000 1.075 174 A CA -1.938 50.025 52.037 -0.124 0.000 0.746 174 A CB 0.638 19.588 19.000 -0.083 0.000 1.221 174 A HN 0.238 nan 8.150 nan 0.000 0.443 175 P HA -0.375 nan 4.420 nan 0.000 0.221 175 P C 1.686 178.904 177.300 -0.137 0.000 1.107 175 P CA 2.565 65.595 63.100 -0.116 0.000 0.986 175 P CB 0.022 31.660 31.700 -0.103 0.000 0.774 176 Q N -0.600 119.079 119.800 -0.201 0.000 2.061 176 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 176 Q C 0.619 176.475 176.000 -0.240 0.000 0.984 176 Q CA 1.686 57.333 55.803 -0.260 0.000 0.846 176 Q CB -1.136 27.335 28.738 -0.445 0.000 0.902 176 Q HN 0.163 nan 8.270 nan 0.000 0.421 177 V N 2.602 122.370 119.914 -0.243 0.000 2.239 177 V HA 0.399 4.519 4.120 -0.000 0.000 0.267 177 V C -0.164 175.913 176.094 -0.028 0.000 1.056 177 V CA -0.058 62.151 62.300 -0.152 0.000 0.830 177 V CB 0.532 32.254 31.823 -0.167 0.000 1.090 177 V HN 0.457 nan 8.190 nan 0.000 0.459 178 S N 2.214 117.903 115.700 -0.018 0.000 2.651 178 S HA 0.606 5.076 4.470 -0.000 0.000 0.279 178 S C 0.334 174.955 174.600 0.034 0.000 1.148 178 S CA 0.108 58.319 58.200 0.019 0.000 0.837 178 S CB 2.443 65.620 63.200 -0.038 0.000 1.138 178 S HN 0.360 nan 8.310 nan 0.000 0.478 179 T N 1.036 115.610 114.554 0.033 0.000 3.071 179 T HA 0.563 4.913 4.350 -0.000 0.000 0.239 179 T C 0.667 175.353 174.700 -0.024 0.000 0.997 179 T CA 0.687 62.800 62.100 0.022 0.000 1.134 179 T CB -0.174 68.714 68.868 0.032 0.000 0.928 179 T HN 1.121 nan 8.240 nan 0.000 0.453 180 A N 0.588 123.381 122.820 -0.045 0.000 2.374 180 A HA 0.710 5.030 4.320 -0.000 0.000 0.317 180 A C 0.964 178.465 177.584 -0.138 0.000 1.094 180 A CA -0.556 51.427 52.037 -0.090 0.000 0.765 180 A CB 1.385 20.339 19.000 -0.077 0.000 1.268 180 A HN 0.034 nan 8.150 nan 0.000 0.438 181 V N 1.854 121.639 119.914 -0.215 0.000 2.488 181 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 181 V C 2.256 178.102 176.094 -0.414 0.000 1.046 181 V CA 2.135 64.256 62.300 -0.298 0.000 1.053 181 V CB 0.171 31.763 31.823 -0.385 0.000 0.679 181 V HN 0.898 nan 8.190 nan 0.000 0.458 182 V N -0.372 119.274 119.914 -0.447 0.000 3.510 182 V HA -0.067 4.053 4.120 -0.000 0.000 0.270 182 V C 1.989 178.010 176.094 -0.122 0.000 1.201 182 V CA 1.540 63.620 62.300 -0.367 0.000 1.166 182 V CB -0.240 31.485 31.823 -0.163 0.000 0.825 182 V HN 0.635 nan 8.190 nan 0.000 0.484 183 E N 1.146 121.278 120.200 -0.113 0.000 2.086 183 E HA -0.204 4.146 4.350 -0.000 0.000 0.205 183 E C -0.142 176.452 176.600 -0.010 0.000 1.027 183 E CA 2.754 59.132 56.400 -0.036 0.000 0.830 183 E CB -0.986 28.669 29.700 -0.075 0.000 0.751 183 E HN 0.574 nan 8.360 nan 0.000 0.456 184 P HA -0.223 nan 4.420 nan 0.000 0.215 184 P C 0.737 178.176 177.300 0.232 0.000 1.163 184 P CA 1.611 64.731 63.100 0.033 0.000 0.894 184 P CB -0.221 31.475 31.700 -0.006 0.000 0.791 185 Y N -0.383 119.985 120.300 0.113 0.000 2.014 185 Y HA -0.319 4.231 4.550 -0.000 0.000 0.272 185 Y C 2.405 178.327 175.900 0.036 0.000 1.164 185 Y CA 0.850 59.006 58.100 0.093 0.000 1.114 185 Y CB -1.002 37.480 38.460 0.036 0.000 0.961 185 Y HN -0.003 nan 8.280 nan 0.000 0.489 186 N N -0.077 118.788 118.700 0.274 0.000 2.061 186 N HA -0.186 4.554 4.740 -0.000 0.000 0.193 186 N C 1.917 177.508 175.510 0.135 0.000 1.030 186 N CA 1.446 54.633 53.050 0.230 0.000 0.856 186 N CB -0.923 37.750 38.487 0.310 0.000 1.023 186 N HN 0.173 nan 8.380 nan 0.000 0.424 187 S N 0.963 116.712 115.700 0.081 0.000 2.377 187 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 187 S C 1.896 176.425 174.600 -0.119 0.000 1.042 187 S CA 0.918 59.062 58.200 -0.094 0.000 1.086 187 S CB -0.207 62.837 63.200 -0.260 0.000 0.995 187 S HN 0.202 nan 8.310 nan 0.000 0.428 188 I N 1.176 121.696 120.570 -0.083 0.000 2.454 188 I HA -0.092 4.078 4.170 -0.000 0.000 0.254 188 I C 2.121 178.104 176.117 -0.224 0.000 1.156 188 I CA 0.952 62.141 61.300 -0.186 0.000 1.433 188 I CB -1.361 36.446 38.000 -0.321 0.000 1.082 188 I HN 0.280 nan 8.210 nan 0.000 0.432 189 L N -0.050 121.027 121.223 -0.242 0.000 1.973 189 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 189 L C 2.688 179.297 176.870 -0.436 0.000 1.073 189 L CA 1.999 56.527 54.840 -0.520 0.000 0.746 189 L CB -0.597 40.972 42.059 -0.818 0.000 0.891 189 L HN 0.223 nan 8.230 nan 0.000 0.433 190 T N -1.765 112.673 114.554 -0.194 0.000 2.569 190 T HA -0.290 4.060 4.350 -0.000 0.000 0.263 190 T C 1.853 176.674 174.700 0.203 0.000 1.074 190 T CA 2.394 64.596 62.100 0.169 0.000 1.176 190 T CB -0.337 68.811 68.868 0.465 0.000 0.863 190 T HN 0.336 nan 8.240 nan 0.000 0.410 191 T N -0.102 114.635 114.554 0.304 0.000 2.856 191 T HA -0.300 4.050 4.350 -0.000 0.000 0.260 191 T C 1.586 176.366 174.700 0.133 0.000 1.043 191 T CA 2.532 64.824 62.100 0.320 0.000 1.155 191 T CB -0.589 68.422 68.868 0.239 0.000 0.825 191 T HN 0.732 nan 8.240 nan 0.000 0.503 192 H N 0.176 119.212 119.070 -0.056 0.000 2.317 192 H HA 0.027 4.583 4.556 -0.000 0.000 0.304 192 H C 2.394 177.706 175.328 -0.027 0.000 1.067 192 H CA 2.280 58.264 56.048 -0.107 0.000 1.352 192 H CB -0.569 29.071 29.762 -0.203 0.000 1.398 192 H HN 0.367 nan 8.280 nan 0.000 0.510 193 T N -1.867 112.541 114.554 -0.243 0.000 2.788 193 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 193 T C 2.065 176.793 174.700 0.046 0.000 1.044 193 T CA 1.635 63.638 62.100 -0.161 0.000 1.139 193 T CB -0.776 68.103 68.868 0.018 0.000 0.867 193 T HN 0.324 nan 8.240 nan 0.000 0.454 194 T N 1.877 116.499 114.554 0.113 0.000 2.985 194 T HA 0.172 4.522 4.350 -0.000 0.000 0.266 194 T C 1.853 176.669 174.700 0.194 0.000 1.076 194 T CA 0.691 62.904 62.100 0.188 0.000 1.135 194 T CB -0.417 68.600 68.868 0.248 0.000 0.890 194 T HN 0.509 nan 8.240 nan 0.000 0.480 195 L N 1.423 122.746 121.223 0.167 0.000 2.217 195 L HA 0.060 4.400 4.340 -0.000 0.000 0.211 195 L C 1.710 178.682 176.870 0.171 0.000 1.107 195 L CA 1.608 56.594 54.840 0.244 0.000 0.783 195 L CB -0.371 41.784 42.059 0.160 0.000 0.919 195 L HN 0.242 nan 8.230 nan 0.000 0.442 196 E N -2.188 117.988 120.200 -0.040 0.000 2.444 196 E HA 0.015 4.365 4.350 -0.000 0.000 0.191 196 E C 0.591 176.981 176.600 -0.349 0.000 1.041 196 E CA 0.178 56.470 56.400 -0.181 0.000 0.883 196 E CB -0.177 29.360 29.700 -0.271 0.000 1.024 196 E HN 0.624 nan 8.360 nan 0.000 0.470 197 H N -0.762 118.314 119.070 0.010 0.000 2.893 197 H HA 0.293 4.849 4.556 -0.000 0.000 0.270 197 H C -0.108 175.189 175.328 -0.051 0.000 1.095 197 H CA -0.069 55.968 56.048 -0.019 0.000 1.186 197 H CB 1.196 30.942 29.762 -0.027 0.000 1.562 197 H HN 0.086 nan 8.280 nan 0.000 0.536 198 S N -0.694 115.002 115.700 -0.008 0.000 2.621 198 S HA 0.194 4.664 4.470 -0.000 0.000 0.302 198 S C 0.081 174.453 174.600 -0.381 0.000 1.093 198 S CA -0.550 57.545 58.200 -0.175 0.000 1.017 198 S CB 1.732 64.811 63.200 -0.201 0.000 1.077 198 S HN 0.211 nan 8.310 nan 0.000 0.517 199 D N 0.370 120.504 120.400 -0.442 0.000 2.652 199 D HA 0.226 4.866 4.640 -0.000 0.000 0.261 199 D C 0.134 176.062 176.300 -0.620 0.000 1.024 199 D CA 0.403 54.146 54.000 -0.428 0.000 0.958 199 D CB 0.542 41.213 40.800 -0.215 0.000 1.113 199 D HN 0.569 nan 8.370 nan 0.000 0.471 200 C N 0.195 119.133 119.300 -0.605 0.000 2.797 200 C HA 0.867 5.327 4.460 -0.000 0.000 0.306 200 C C -1.529 172.982 174.990 -0.798 0.000 1.207 200 C CA -0.544 58.085 59.018 -0.649 0.000 1.507 200 C CB 0.824 28.289 27.740 -0.458 0.000 2.028 200 C HN 0.262 nan 8.230 nan 0.000 0.475 201 A N 4.155 126.505 122.820 -0.784 0.000 2.411 201 A HA 0.719 5.039 4.320 -0.000 0.000 0.285 201 A C -1.022 176.311 177.584 -0.418 0.000 1.129 201 A CA -0.309 51.368 52.037 -0.601 0.000 0.736 201 A CB 0.344 19.125 19.000 -0.365 0.000 1.186 201 A HN 0.849 nan 8.150 nan 0.000 0.445 202 F N 3.025 122.753 119.950 -0.370 0.000 2.375 202 F HA 0.319 4.846 4.527 -0.000 0.000 0.362 202 F C 0.822 176.520 175.800 -0.171 0.000 1.129 202 F CA -0.159 57.639 58.000 -0.338 0.000 1.154 202 F CB 0.939 39.506 39.000 -0.722 0.000 1.205 202 F HN 0.466 nan 8.300 nan 0.000 0.513 203 M N 3.131 122.828 119.600 0.161 0.000 2.242 203 M HA 0.371 4.851 4.480 -0.000 0.000 0.344 203 M C -0.762 175.583 176.300 0.075 0.000 1.140 203 M CA -0.335 55.011 55.300 0.078 0.000 1.160 203 M CB 1.303 33.916 32.600 0.022 0.000 1.491 203 M HN 0.195 nan 8.290 nan 0.000 0.459 204 V N 2.313 122.282 119.914 0.091 0.000 2.419 204 V HA 0.157 4.277 4.120 -0.000 0.000 0.287 204 V C -0.777 175.413 176.094 0.159 0.000 1.017 204 V CA -0.912 61.459 62.300 0.118 0.000 0.844 204 V CB 1.621 33.535 31.823 0.152 0.000 1.011 204 V HN 0.698 nan 8.190 nan 0.000 0.429 205 D N 3.786 124.267 120.400 0.135 0.000 2.338 205 D HA 0.123 4.763 4.640 -0.000 0.000 0.255 205 D C 1.174 177.582 176.300 0.181 0.000 1.237 205 D CA 0.511 54.645 54.000 0.223 0.000 0.883 205 D CB 0.625 41.515 40.800 0.150 0.000 1.087 205 D HN 0.549 nan 8.370 nan 0.000 0.485 206 N N 3.014 121.823 118.700 0.182 0.000 2.061 206 N HA -0.236 4.504 4.740 -0.000 0.000 0.193 206 N C 1.394 176.981 175.510 0.128 0.000 1.030 206 N CA 1.011 54.150 53.050 0.148 0.000 0.856 206 N CB 0.137 38.702 38.487 0.129 0.000 1.023 206 N HN 0.634 nan 8.380 nan 0.000 0.424 207 E N 0.841 121.088 120.200 0.078 0.000 2.035 207 E HA -0.288 4.062 4.350 -0.000 0.000 0.204 207 E C 1.934 178.613 176.600 0.131 0.000 1.025 207 E CA 1.614 58.043 56.400 0.049 0.000 0.835 207 E CB -0.192 29.523 29.700 0.024 0.000 0.764 207 E HN 0.383 nan 8.360 nan 0.000 0.457 208 A N 1.208 124.096 122.820 0.113 0.000 1.915 208 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 208 A C 2.199 179.854 177.584 0.118 0.000 1.198 208 A CA 2.084 54.180 52.037 0.098 0.000 0.647 208 A CB -0.775 18.267 19.000 0.070 0.000 0.825 208 A HN 0.446 nan 8.150 nan 0.000 0.456 209 I N -1.963 118.687 120.570 0.133 0.000 2.439 209 I HA -0.171 3.999 4.170 -0.000 0.000 0.251 209 I C 2.376 178.587 176.117 0.156 0.000 1.139 209 I CA 1.462 62.837 61.300 0.126 0.000 1.438 209 I CB -1.356 36.719 38.000 0.126 0.000 1.085 209 I HN 0.616 nan 8.210 nan 0.000 0.427 210 Y N 2.181 122.502 120.300 0.035 0.000 2.373 210 Y HA -0.167 4.383 4.550 -0.000 0.000 0.293 210 Y C 2.072 177.980 175.900 0.013 0.000 1.129 210 Y CA 1.223 59.334 58.100 0.019 0.000 1.226 210 Y CB -0.217 38.250 38.460 0.011 0.000 1.000 210 Y HN 0.128 nan 8.280 nan 0.000 0.549 211 D N 0.444 121.001 120.400 0.262 0.000 2.084 211 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 211 D C 2.130 178.452 176.300 0.037 0.000 0.985 211 D CA 1.664 55.749 54.000 0.142 0.000 0.826 211 D CB -0.278 40.597 40.800 0.126 0.000 0.978 211 D HN 0.366 nan 8.370 nan 0.000 0.456 212 I N 0.681 121.277 120.570 0.043 0.000 2.194 212 I HA -0.266 3.904 4.170 -0.000 0.000 0.246 212 I C 2.308 178.417 176.117 -0.013 0.000 1.093 212 I CA 0.863 62.177 61.300 0.023 0.000 1.355 212 I CB -0.337 37.687 38.000 0.040 0.000 1.046 212 I HN 0.068 nan 8.210 nan 0.000 0.413 213 C N 0.100 119.373 119.300 -0.045 0.000 2.511 213 C HA -0.009 4.451 4.460 -0.000 0.000 0.277 213 C C 2.612 177.518 174.990 -0.139 0.000 1.451 213 C CA 0.542 59.505 59.018 -0.092 0.000 1.735 213 C CB -1.584 26.077 27.740 -0.132 0.000 1.704 213 C HN 0.415 nan 8.230 nan 0.000 0.571 214 R N -1.003 119.418 120.500 -0.133 0.000 2.257 214 R HA 0.132 4.472 4.340 -0.000 0.000 0.195 214 R C 2.264 178.525 176.300 -0.066 0.000 0.921 214 R CA -0.064 55.953 56.100 -0.138 0.000 1.069 214 R CB -0.051 30.139 30.300 -0.184 0.000 1.115 214 R HN 0.372 nan 8.270 nan 0.000 0.571 215 R N 0.667 121.145 120.500 -0.037 0.000 2.057 215 R HA 0.095 4.435 4.340 -0.000 0.000 0.224 215 R C 1.533 177.825 176.300 -0.014 0.000 1.136 215 R CA 1.178 57.268 56.100 -0.016 0.000 0.968 215 R CB 0.204 30.503 30.300 -0.001 0.000 0.863 215 R HN 0.163 nan 8.270 nan 0.000 0.433 216 N N -0.322 118.372 118.700 -0.010 0.000 2.402 216 N HA -0.058 4.682 4.740 -0.000 0.000 0.174 216 N C 1.197 176.705 175.510 -0.002 0.000 1.027 216 N CA 0.625 53.675 53.050 0.000 0.000 0.891 216 N CB 0.353 38.849 38.487 0.015 0.000 1.016 216 N HN 0.107 nan 8.380 nan 0.000 0.439 217 L N 0.885 122.099 121.223 -0.015 0.000 2.556 217 L HA 0.120 4.460 4.340 -0.000 0.000 0.226 217 L C 0.225 177.080 176.870 -0.026 0.000 1.089 217 L CA 0.740 55.570 54.840 -0.017 0.000 0.864 217 L CB -0.168 41.877 42.059 -0.024 0.000 1.067 217 L HN 0.028 nan 8.230 nan 0.000 0.477 218 D N -0.740 119.637 120.400 -0.038 0.000 3.099 218 D HA -0.196 4.444 4.640 -0.000 0.000 0.213 218 D C -0.111 176.159 176.300 -0.050 0.000 1.121 218 D CA 0.338 54.316 54.000 -0.036 0.000 0.951 218 D CB -0.942 39.848 40.800 -0.017 0.000 1.102 218 D HN 0.047 nan 8.370 nan 0.000 0.423 219 I N 1.730 122.255 120.570 -0.074 0.000 2.308 219 I HA 0.086 4.256 4.170 -0.000 0.000 0.293 219 I C 1.877 177.926 176.117 -0.114 0.000 1.078 219 I CA -0.064 61.186 61.300 -0.083 0.000 1.292 219 I CB 0.939 38.885 38.000 -0.089 0.000 1.423 219 I HN 0.121 nan 8.210 nan 0.000 0.493 220 E N 5.467 125.620 120.200 -0.079 0.000 2.086 220 E HA -0.238 4.112 4.350 -0.000 0.000 0.205 220 E C 0.858 177.396 176.600 -0.103 0.000 1.027 220 E CA 1.904 58.259 56.400 -0.074 0.000 0.830 220 E CB 0.282 29.958 29.700 -0.041 0.000 0.751 220 E HN 0.685 nan 8.360 nan 0.000 0.456 221 R N 1.383 121.826 120.500 -0.096 0.000 2.680 221 R HA 0.272 4.612 4.340 -0.000 0.000 0.278 221 R C -2.703 173.540 176.300 -0.095 0.000 1.582 221 R CA -1.277 54.768 56.100 -0.090 0.000 1.177 221 R CB 0.125 30.419 30.300 -0.011 0.000 1.232 221 R HN 0.070 nan 8.270 nan 0.000 0.528 222 P HA 0.223 nan 4.420 nan 0.000 0.271 222 P C -0.285 176.985 177.300 -0.050 0.000 1.218 222 P CA 0.222 63.249 63.100 -0.122 0.000 0.780 222 P CB 1.177 32.755 31.700 -0.204 0.000 0.901 223 T N 1.482 116.018 114.554 -0.029 0.000 2.732 223 T HA 0.107 4.457 4.350 -0.000 0.000 0.287 223 T C 1.185 175.897 174.700 0.021 0.000 0.993 223 T CA -0.026 62.062 62.100 -0.020 0.000 0.966 223 T CB 0.224 69.108 68.868 0.027 0.000 1.047 223 T HN 0.326 nan 8.240 nan 0.000 0.527 224 Y N 0.908 121.235 120.300 0.044 0.000 2.133 224 Y HA -0.159 4.391 4.550 -0.000 0.000 0.287 224 Y C 3.199 179.118 175.900 0.032 0.000 1.134 224 Y CA 1.270 59.395 58.100 0.043 0.000 1.133 224 Y CB -0.376 38.103 38.460 0.032 0.000 0.987 224 Y HN 0.742 nan 8.280 nan 0.000 0.502 225 T N -2.471 112.203 114.554 0.199 0.000 3.051 225 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 225 T C 1.188 175.934 174.700 0.077 0.000 1.127 225 T CA 1.229 63.396 62.100 0.112 0.000 1.107 225 T CB -0.505 68.412 68.868 0.081 0.000 0.898 225 T HN 0.357 nan 8.240 nan 0.000 0.517 226 N N 0.465 119.208 118.700 0.071 0.000 2.092 226 N HA 0.059 4.799 4.740 -0.000 0.000 0.189 226 N C 1.433 176.973 175.510 0.050 0.000 1.040 226 N CA 0.716 53.790 53.050 0.040 0.000 0.845 226 N CB -0.183 38.310 38.487 0.010 0.000 1.017 226 N HN 0.088 nan 8.380 nan 0.000 0.426 227 L N 1.624 122.899 121.223 0.086 0.000 2.012 227 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 227 L C 1.856 178.779 176.870 0.089 0.000 1.073 227 L CA 1.488 56.391 54.840 0.104 0.000 0.748 227 L CB -1.063 41.103 42.059 0.178 0.000 0.891 227 L HN 0.252 nan 8.230 nan 0.000 0.431 228 N N -0.195 118.565 118.700 0.100 0.000 2.061 228 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 228 N C 1.956 177.482 175.510 0.026 0.000 1.030 228 N CA 1.260 54.348 53.050 0.063 0.000 0.856 228 N CB -0.282 38.238 38.487 0.055 0.000 1.023 228 N HN 0.311 nan 8.380 nan 0.000 0.424 229 R N -0.083 120.430 120.500 0.022 0.000 2.117 229 R HA -0.119 4.221 4.340 -0.000 0.000 0.243 229 R C 1.855 178.137 176.300 -0.031 0.000 1.143 229 R CA 0.794 56.893 56.100 -0.001 0.000 0.968 229 R CB -0.323 29.980 30.300 0.005 0.000 0.863 229 R HN 0.154 nan 8.270 nan 0.000 0.444 230 L N 0.864 122.071 121.223 -0.026 0.000 2.023 230 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 230 L C 2.018 178.846 176.870 -0.071 0.000 1.073 230 L CA 1.507 56.309 54.840 -0.063 0.000 0.745 230 L CB -0.709 41.336 42.059 -0.023 0.000 0.900 230 L HN 0.091 nan 8.230 nan 0.000 0.435 231 I N -0.274 120.294 120.570 -0.003 0.000 2.118 231 I HA -0.285 3.885 4.170 -0.000 0.000 0.241 231 I C 2.576 178.692 176.117 -0.000 0.000 1.070 231 I CA 1.498 62.817 61.300 0.032 0.000 1.327 231 I CB -1.237 36.817 38.000 0.089 0.000 1.034 231 I HN 0.369 nan 8.210 nan 0.000 0.405 232 G N -0.022 108.764 108.800 -0.023 0.000 2.766 232 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.222 232 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.222 232 G C 1.501 176.371 174.900 -0.049 0.000 1.225 232 G CA 1.603 46.673 45.100 -0.050 0.000 0.784 232 G HN 0.345 nan 8.290 nan 0.000 0.631 233 Q N 0.074 119.802 119.800 -0.120 0.000 2.062 233 Q HA -0.131 4.209 4.340 -0.000 0.000 0.209 233 Q C 2.555 178.427 176.000 -0.214 0.000 0.996 233 Q CA 1.945 57.610 55.803 -0.230 0.000 0.859 233 Q CB -0.391 28.053 28.738 -0.490 0.000 0.920 233 Q HN 0.629 nan 8.270 nan 0.000 0.415 234 I N -1.169 119.283 120.570 -0.198 0.000 2.163 234 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 234 I C 2.037 178.204 176.117 0.083 0.000 1.081 234 I CA 0.838 62.110 61.300 -0.048 0.000 1.353 234 I CB -0.307 37.691 38.000 -0.003 0.000 1.054 234 I HN 0.060 nan 8.210 nan 0.000 0.407 235 V N 0.148 120.142 119.914 0.134 0.000 2.278 235 V HA -0.365 3.755 4.120 -0.000 0.000 0.251 235 V C 2.604 178.811 176.094 0.188 0.000 1.062 235 V CA 2.318 64.741 62.300 0.204 0.000 1.038 235 V CB -1.201 30.661 31.823 0.065 0.000 0.646 235 V HN 0.633 nan 8.190 nan 0.000 0.447 236 S N -0.727 115.071 115.700 0.164 0.000 2.399 236 S HA -0.205 4.265 4.470 -0.000 0.000 0.231 236 S C 2.073 176.728 174.600 0.091 0.000 1.022 236 S CA 1.978 60.271 58.200 0.155 0.000 0.983 236 S CB -0.349 62.946 63.200 0.158 0.000 0.803 236 S HN 0.525 nan 8.310 nan 0.000 0.480 237 S N 0.487 116.262 115.700 0.124 0.000 2.436 237 S HA 0.264 4.734 4.470 -0.000 0.000 0.228 237 S C 1.604 176.295 174.600 0.152 0.000 1.014 237 S CA 0.804 59.094 58.200 0.151 0.000 0.950 237 S CB -0.295 63.048 63.200 0.239 0.000 0.784 237 S HN 0.579 nan 8.310 nan 0.000 0.504 238 I N 1.300 121.974 120.570 0.175 0.000 2.400 238 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 238 I C 2.483 178.818 176.117 0.363 0.000 1.109 238 I CA 1.294 62.752 61.300 0.263 0.000 1.425 238 I CB -0.527 37.580 38.000 0.179 0.000 1.094 238 I HN 0.331 nan 8.210 nan 0.000 0.425 239 T N -0.187 114.512 114.554 0.241 0.000 2.951 239 T HA -0.002 4.348 4.350 -0.000 0.000 0.268 239 T C 2.064 176.792 174.700 0.047 0.000 1.073 239 T CA 0.726 62.910 62.100 0.140 0.000 1.134 239 T CB -0.503 68.281 68.868 -0.140 0.000 0.884 239 T HN 0.326 nan 8.240 nan 0.000 0.479 240 A N 2.619 125.473 122.820 0.057 0.000 1.916 240 A HA -0.288 4.032 4.320 -0.000 0.000 0.224 240 A C 2.613 180.338 177.584 0.234 0.000 1.366 240 A CA 2.915 55.056 52.037 0.174 0.000 0.692 240 A CB -1.651 17.447 19.000 0.162 0.000 0.841 240 A HN 0.575 nan 8.150 nan 0.000 0.480 241 S N -0.177 115.639 115.700 0.194 0.000 2.393 241 S HA -0.259 4.211 4.470 -0.000 0.000 0.234 241 S C 1.574 176.285 174.600 0.185 0.000 1.064 241 S CA 2.154 60.453 58.200 0.166 0.000 1.088 241 S CB -0.595 62.686 63.200 0.135 0.000 0.939 241 S HN 0.657 nan 8.310 nan 0.000 0.448 242 L N -0.148 121.202 121.223 0.212 0.000 2.556 242 L HA 0.339 4.679 4.340 -0.000 0.000 0.226 242 L C 2.018 178.998 176.870 0.182 0.000 1.089 242 L CA 0.221 55.191 54.840 0.216 0.000 0.864 242 L CB -0.379 41.856 42.059 0.294 0.000 1.067 242 L HN 0.013 nan 8.230 nan 0.000 0.477 243 R N 0.153 120.684 120.500 0.051 0.000 2.062 243 R HA 0.083 4.423 4.340 -0.000 0.000 0.226 243 R C 2.001 178.222 176.300 -0.132 0.000 1.125 243 R CA 1.478 57.495 56.100 -0.138 0.000 0.966 243 R CB -0.650 29.356 30.300 -0.489 0.000 0.861 243 R HN 0.262 nan 8.270 nan 0.000 0.433 244 F N 0.944 120.971 119.950 0.130 0.000 2.147 244 F HA 0.001 4.528 4.527 -0.000 0.000 0.291 244 F C 0.109 175.973 175.800 0.107 0.000 1.093 244 F CA 0.742 58.822 58.000 0.134 0.000 1.263 244 F CB -0.217 38.830 39.000 0.078 0.000 1.036 244 F HN 0.103 nan 8.300 nan 0.000 0.481 245 D N -0.768 119.796 120.400 0.273 0.000 7.133 245 D HA 0.223 4.863 4.640 -0.000 0.000 0.241 245 D C -0.637 175.743 176.300 0.132 0.000 2.017 245 D CA 0.787 54.889 54.000 0.169 0.000 1.860 245 D CB -0.976 39.905 40.800 0.135 0.000 0.718 245 D HN 0.678 nan 8.370 nan 0.000 0.425 246 G N 2.297 111.146 108.800 0.081 0.000 1.824 246 G HA2 0.762 4.722 3.960 -0.000 0.000 0.294 246 G HA3 0.762 4.722 3.960 -0.000 0.000 0.294 246 G C 0.213 175.112 174.900 -0.002 0.000 1.796 246 G CA 0.841 45.957 45.100 0.026 0.000 0.919 246 G HN 1.873 nan 8.290 nan 0.000 0.595 247 A N 2.615 125.433 122.820 -0.005 0.000 2.923 247 A HA 0.351 4.671 4.320 -0.000 0.000 0.668 247 A C 0.910 178.480 177.584 -0.024 0.000 1.313 247 A CA 0.524 52.550 52.037 -0.017 0.000 1.501 247 A CB -0.462 18.516 19.000 -0.036 0.000 3.124 247 A HN 2.780 nan 8.150 nan 0.000 0.572 248 L N 1.442 122.645 121.223 -0.032 0.000 3.319 248 L HA -0.272 4.068 4.340 -0.000 0.000 0.534 248 L C 0.594 177.394 176.870 -0.117 0.000 1.001 248 L CA 2.401 57.204 54.840 -0.061 0.000 1.233 248 L CB -1.798 40.236 42.059 -0.041 0.000 1.030 248 L HN 1.793 nan 8.230 nan 0.000 0.588 249 N N 0.845 119.431 118.700 -0.190 0.000 2.780 249 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 249 N C 0.785 176.247 175.510 -0.079 0.000 1.102 249 N CA 0.423 53.277 53.050 -0.327 0.000 0.697 249 N CB -1.118 36.930 38.487 -0.731 0.000 1.028 249 N HN 0.462 nan 8.380 nan 0.000 0.554 250 V N 0.027 119.930 119.914 -0.019 0.000 2.809 250 V HA -0.113 4.007 4.120 -0.000 0.000 0.256 250 V C 0.673 176.817 176.094 0.083 0.000 1.080 250 V CA 2.373 64.700 62.300 0.044 0.000 1.102 250 V CB -0.160 31.679 31.823 0.028 0.000 0.705 250 V HN 0.637 nan 8.190 nan 0.000 0.475 251 D N -3.715 116.734 120.400 0.082 0.000 2.623 251 D HA 0.186 4.826 4.640 -0.000 0.000 0.241 251 D C 0.515 176.907 176.300 0.153 0.000 1.241 251 D CA -0.653 53.412 54.000 0.108 0.000 0.788 251 D CB 0.573 41.408 40.800 0.058 0.000 1.413 251 D HN -0.120 nan 8.370 nan 0.000 0.429 252 L N 0.086 121.409 121.223 0.165 0.000 2.079 252 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 252 L C 1.803 178.789 176.870 0.193 0.000 1.081 252 L CA 2.122 57.098 54.840 0.227 0.000 0.752 252 L CB -0.763 41.343 42.059 0.077 0.000 0.896 252 L HN 0.673 nan 8.230 nan 0.000 0.433 253 T N -1.609 113.000 114.554 0.093 0.000 2.720 253 T HA -0.287 4.063 4.350 -0.000 0.000 0.268 253 T C 1.623 176.360 174.700 0.062 0.000 1.037 253 T CA 1.491 63.626 62.100 0.058 0.000 1.144 253 T CB -0.295 68.588 68.868 0.024 0.000 0.864 253 T HN 0.350 nan 8.240 nan 0.000 0.444 254 E N 0.137 120.360 120.200 0.039 0.000 2.273 254 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 254 E C 1.583 178.146 176.600 -0.062 0.000 1.002 254 E CA 0.795 57.178 56.400 -0.028 0.000 0.828 254 E CB -0.340 29.314 29.700 -0.077 0.000 0.747 254 E HN 0.497 nan 8.360 nan 0.000 0.491 255 F N 1.173 121.139 119.950 0.027 0.000 2.102 255 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 255 F C 2.662 178.462 175.800 0.001 0.000 1.105 255 F CA 1.977 59.997 58.000 0.033 0.000 1.239 255 F CB -0.444 38.568 39.000 0.020 0.000 0.991 255 F HN 0.187 nan 8.300 nan 0.000 0.474 256 Q N -0.776 119.118 119.800 0.158 0.000 2.137 256 Q HA -0.143 4.197 4.340 -0.000 0.000 0.198 256 Q C 1.914 177.942 176.000 0.047 0.000 0.960 256 Q CA 1.876 57.718 55.803 0.065 0.000 0.847 256 Q CB -0.774 27.969 28.738 0.008 0.000 0.915 256 Q HN 0.241 nan 8.270 nan 0.000 0.448 257 T N 1.504 116.076 114.554 0.030 0.000 2.778 257 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 257 T C 1.005 175.718 174.700 0.021 0.000 1.050 257 T CA 1.918 64.025 62.100 0.011 0.000 1.137 257 T CB -0.238 68.629 68.868 -0.002 0.000 0.860 257 T HN 0.534 nan 8.240 nan 0.000 0.468 258 N N -0.647 118.071 118.700 0.030 0.000 2.254 258 N HA 0.320 5.060 4.740 -0.000 0.000 0.190 258 N C 1.151 176.721 175.510 0.100 0.000 1.107 258 N CA 0.060 53.136 53.050 0.044 0.000 0.869 258 N CB 0.505 38.992 38.487 -0.001 0.000 0.983 258 N HN 0.258 nan 8.380 nan 0.000 0.487 259 L N -0.283 121.013 121.223 0.122 0.000 2.806 259 L HA 0.271 4.611 4.340 -0.000 0.000 0.242 259 L C 0.137 177.103 176.870 0.160 0.000 1.068 259 L CA 0.112 55.053 54.840 0.169 0.000 0.923 259 L CB 0.746 42.933 42.059 0.214 0.000 1.364 259 L HN -0.021 nan 8.230 nan 0.000 0.511 260 V N -0.806 119.177 119.914 0.114 0.000 2.304 260 V HA 0.429 4.549 4.120 -0.000 0.000 0.278 260 V C -2.136 173.996 176.094 0.063 0.000 1.018 260 V CA -1.254 61.111 62.300 0.108 0.000 0.814 260 V CB 1.207 33.076 31.823 0.077 0.000 1.021 260 V HN -0.032 nan 8.190 nan 0.000 0.440 261 P HA 0.227 nan 4.420 nan 0.000 0.245 261 P C -0.453 176.648 177.300 -0.332 0.000 1.203 261 P CA 0.543 63.576 63.100 -0.111 0.000 0.792 261 P CB 0.044 31.726 31.700 -0.030 0.000 0.997 262 Y N -0.447 119.863 120.300 0.015 0.000 2.332 262 Y HA 0.318 4.868 4.550 -0.000 0.000 0.326 262 Y C -1.540 174.341 175.900 -0.032 0.000 0.978 262 Y CA -2.385 55.694 58.100 -0.035 0.000 1.205 262 Y CB 1.656 40.083 38.460 -0.056 0.000 1.131 262 Y HN -0.180 nan 8.280 nan 0.000 0.462 263 P HA -0.272 nan 4.420 nan 0.000 0.219 263 P C 1.436 178.778 177.300 0.071 0.000 1.151 263 P CA 1.772 64.918 63.100 0.077 0.000 0.850 263 P CB 0.335 32.060 31.700 0.041 0.000 0.784 264 R N -0.920 119.568 120.500 -0.020 0.000 2.052 264 R HA 0.037 4.377 4.340 -0.000 0.000 0.224 264 R C 0.809 176.926 176.300 -0.304 0.000 1.149 264 R CA 0.474 56.459 56.100 -0.193 0.000 0.962 264 R CB -0.751 29.448 30.300 -0.170 0.000 0.856 264 R HN 0.102 nan 8.270 nan 0.000 0.433 265 I N 2.128 122.594 120.570 -0.173 0.000 2.992 265 I HA -0.132 4.038 4.170 -0.000 0.000 0.309 265 I C 0.919 177.089 176.117 0.088 0.000 1.170 265 I CA 0.903 62.159 61.300 -0.072 0.000 1.862 265 I CB -0.363 37.576 38.000 -0.101 0.000 1.579 265 I HN 0.244 nan 8.210 nan 0.000 0.885 266 H N 3.401 122.415 119.070 -0.093 0.000 2.497 266 H HA 0.127 4.683 4.556 -0.000 0.000 0.282 266 H C 0.042 175.163 175.328 -0.346 0.000 1.003 266 H CA 0.008 55.762 56.048 -0.490 0.000 1.307 266 H CB 0.151 29.173 29.762 -1.233 0.000 1.437 266 H HN 0.312 nan 8.280 nan 0.000 0.544 267 F N 2.728 122.895 119.950 0.362 0.000 2.368 267 F HA 0.277 4.804 4.527 -0.000 0.000 0.362 267 F C -2.254 173.687 175.800 0.236 0.000 1.137 267 F CA -3.260 54.919 58.000 0.298 0.000 1.161 267 F CB 0.446 39.693 39.000 0.411 0.000 1.265 267 F HN -0.040 nan 8.300 nan 0.000 0.530 268 P HA 0.270 nan 4.420 nan 0.000 0.280 268 P C -0.962 176.484 177.300 0.244 0.000 1.272 268 P CA -0.663 62.612 63.100 0.292 0.000 0.819 268 P CB 1.612 33.535 31.700 0.371 0.000 1.122 269 L N 0.847 122.160 121.223 0.150 0.000 2.298 269 L HA 0.651 4.991 4.340 -0.000 0.000 0.284 269 L C -0.352 176.542 176.870 0.041 0.000 1.013 269 L CA -0.666 54.211 54.840 0.062 0.000 0.824 269 L CB 0.908 42.967 42.059 0.000 0.000 1.221 269 L HN 0.444 nan 8.230 nan 0.000 0.418 270 A N 3.271 126.093 122.820 0.003 0.000 2.282 270 A HA 0.845 5.165 4.320 -0.000 0.000 0.319 270 A C -0.414 177.158 177.584 -0.020 0.000 1.121 270 A CA -0.303 51.710 52.037 -0.040 0.000 0.836 270 A CB 1.084 20.018 19.000 -0.109 0.000 1.146 270 A HN 0.697 nan 8.150 nan 0.000 0.494 271 T N 1.076 115.616 114.554 -0.022 0.000 3.566 271 T HA 0.266 4.616 4.350 -0.000 0.000 0.330 271 T C -1.112 173.589 174.700 0.001 0.000 0.877 271 T CA -0.220 61.866 62.100 -0.024 0.000 1.030 271 T CB -0.136 68.671 68.868 -0.103 0.000 1.033 271 T HN 0.517 nan 8.240 nan 0.000 0.463 272 Y N 2.707 122.968 120.300 -0.066 0.000 2.314 272 Y HA 0.589 5.139 4.550 -0.000 0.000 0.334 272 Y C 1.178 177.036 175.900 -0.070 0.000 1.266 272 Y CA 0.325 58.387 58.100 -0.063 0.000 1.391 272 Y CB 0.624 39.065 38.460 -0.032 0.000 1.306 272 Y HN 0.733 nan 8.280 nan 0.000 0.558 273 A N 3.874 126.195 122.820 -0.831 0.000 2.028 273 A HA 0.245 4.565 4.320 -0.000 0.000 0.213 273 A C -2.073 175.348 177.584 -0.271 0.000 1.486 273 A CA 0.254 51.974 52.037 -0.528 0.000 0.597 273 A CB -1.511 17.123 19.000 -0.611 0.000 1.089 273 A HN 0.620 nan 8.150 nan 0.000 0.489 274 P HA 0.451 nan 4.420 nan 0.000 0.298 274 P C -1.285 176.077 177.300 0.102 0.000 1.365 274 P CA -0.352 62.722 63.100 -0.044 0.000 0.835 274 P CB 1.302 32.975 31.700 -0.046 0.000 0.948 275 V N 3.007 122.991 119.914 0.116 0.000 2.313 275 V HA 0.689 4.809 4.120 -0.000 0.000 0.278 275 V C -0.191 175.944 176.094 0.069 0.000 1.017 275 V CA -0.718 61.662 62.300 0.133 0.000 0.823 275 V CB 1.068 32.970 31.823 0.131 0.000 1.010 275 V HN 0.345 nan 8.190 nan 0.000 0.443 276 I N 4.010 124.616 120.570 0.060 0.000 2.752 276 I HA 0.631 4.801 4.170 -0.000 0.000 0.295 276 I C 0.271 176.410 176.117 0.036 0.000 1.219 276 I CA 0.001 61.326 61.300 0.042 0.000 1.030 276 I CB 2.827 40.852 38.000 0.042 0.000 1.259 276 I HN 0.800 nan 8.210 nan 0.000 0.423 277 S N 5.782 121.502 115.700 0.033 0.000 2.528 277 S HA 0.741 5.210 4.470 -0.000 0.000 0.277 277 S C 0.229 174.844 174.600 0.026 0.000 1.297 277 S CA -0.565 57.649 58.200 0.024 0.000 1.052 277 S CB 1.047 64.259 63.200 0.021 0.000 0.917 277 S HN 0.919 nan 8.310 nan 0.000 0.492 278 A N 2.329 125.153 122.820 0.006 0.000 2.546 278 A HA 0.414 4.734 4.320 -0.000 0.000 0.243 278 A C 1.197 178.788 177.584 0.012 0.000 1.063 278 A CA 0.467 52.496 52.037 -0.012 0.000 0.757 278 A CB -0.517 18.468 19.000 -0.025 0.000 0.991 278 A HN 1.352 nan 8.150 nan 0.000 0.503 279 E N 0.725 120.936 120.200 0.019 0.000 3.675 279 E HA -0.175 4.175 4.350 -0.000 0.000 0.237 279 E C 0.370 177.017 176.600 0.079 0.000 0.571 279 E CA 0.995 57.424 56.400 0.049 0.000 2.537 279 E CB -1.349 28.383 29.700 0.052 0.000 1.587 279 E HN 0.603 nan 8.360 nan 0.000 0.689 280 K N 0.893 121.356 120.400 0.106 0.000 2.367 280 K HA 0.420 4.740 4.320 -0.000 0.000 0.194 280 K C 1.732 178.384 176.600 0.087 0.000 1.027 280 K CA 0.669 57.111 56.287 0.259 0.000 1.075 280 K CB 0.557 33.224 32.500 0.277 0.000 0.845 280 K HN 0.328 nan 8.250 nan 0.000 0.529 281 A N 0.442 123.231 122.820 -0.052 0.000 2.204 281 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 281 A C 0.130 177.451 177.584 -0.437 0.000 1.165 281 A CA 1.311 53.209 52.037 -0.231 0.000 0.671 281 A CB -0.380 18.432 19.000 -0.313 0.000 0.792 281 A HN 0.303 nan 8.150 nan 0.000 0.473 282 Y N -0.793 119.424 120.300 -0.138 0.000 2.511 282 Y HA 0.380 4.930 4.550 -0.000 0.000 0.356 282 Y C 0.728 176.447 175.900 -0.302 0.000 1.002 282 Y CA -1.038 56.963 58.100 -0.165 0.000 1.127 282 Y CB 0.061 38.425 38.460 -0.161 0.000 1.137 282 Y HN 0.388 nan 8.280 nan 0.000 0.652 283 H N -0.203 118.933 119.070 0.109 0.000 3.780 283 H HA 0.321 4.877 4.556 -0.000 0.000 0.122 283 H C -0.137 175.232 175.328 0.069 0.000 1.563 283 H CA -0.341 55.754 56.048 0.079 0.000 1.505 283 H CB 0.557 30.347 29.762 0.047 0.000 0.874 283 H HN 0.267 nan 8.280 nan 0.000 0.633 284 E N 0.269 120.586 120.200 0.196 0.000 2.227 284 E HA 0.392 4.742 4.350 -0.000 0.000 0.268 284 E C -0.790 175.864 176.600 0.089 0.000 0.907 284 E CA -0.581 55.884 56.400 0.109 0.000 0.786 284 E CB 1.188 30.934 29.700 0.077 0.000 1.191 284 E HN 0.507 nan 8.360 nan 0.000 0.411 285 Q N 2.213 122.051 119.800 0.063 0.000 2.524 285 Q HA 0.262 4.602 4.340 -0.000 0.000 0.246 285 Q C -0.474 175.547 176.000 0.035 0.000 1.063 285 Q CA 0.366 56.195 55.803 0.044 0.000 0.945 285 Q CB 0.038 28.795 28.738 0.032 0.000 1.292 285 Q HN 0.526 nan 8.270 nan 0.000 0.518 286 L N 1.293 122.531 121.223 0.025 0.000 2.334 286 L HA 0.442 4.782 4.340 -0.000 0.000 0.277 286 L C 0.766 177.646 176.870 0.016 0.000 1.075 286 L CA -0.334 54.517 54.840 0.017 0.000 0.804 286 L CB 2.045 44.109 42.059 0.008 0.000 1.174 286 L HN 0.831 nan 8.230 nan 0.000 0.438 287 S N 0.826 116.535 115.700 0.016 0.000 2.545 287 S HA 0.219 4.689 4.470 -0.000 0.000 0.275 287 S C 1.385 176.001 174.600 0.027 0.000 1.299 287 S CA -0.930 57.281 58.200 0.017 0.000 1.048 287 S CB 1.247 64.455 63.200 0.013 0.000 0.938 287 S HN 0.390 nan 8.310 nan 0.000 0.496 288 V N 2.278 122.212 119.914 0.032 0.000 2.357 288 V HA -0.333 3.786 4.120 -0.000 0.000 0.257 288 V C 2.786 178.924 176.094 0.073 0.000 1.082 288 V CA 2.395 64.732 62.300 0.060 0.000 1.078 288 V CB -2.212 29.619 31.823 0.014 0.000 0.663 288 V HN 1.019 nan 8.190 nan 0.000 0.455 289 A N -0.394 122.448 122.820 0.037 0.000 1.841 289 A HA -0.224 4.096 4.320 -0.000 0.000 0.214 289 A C 2.281 179.888 177.584 0.038 0.000 1.195 289 A CA 1.815 53.871 52.037 0.032 0.000 0.611 289 A CB -0.599 18.408 19.000 0.012 0.000 0.835 289 A HN 0.571 nan 8.150 nan 0.000 0.443 290 E N -0.232 119.984 120.200 0.026 0.000 2.085 290 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 290 E C 1.955 178.566 176.600 0.018 0.000 0.994 290 E CA 1.601 58.014 56.400 0.021 0.000 0.801 290 E CB -0.354 29.354 29.700 0.012 0.000 0.743 290 E HN 0.836 nan 8.360 nan 0.000 0.453 291 I N -1.470 119.105 120.570 0.008 0.000 2.439 291 I HA -0.139 4.031 4.170 -0.000 0.000 0.251 291 I C 2.149 178.239 176.117 -0.044 0.000 1.139 291 I CA 1.020 62.300 61.300 -0.033 0.000 1.438 291 I CB -0.627 37.335 38.000 -0.064 0.000 1.085 291 I HN -0.102 nan 8.210 nan 0.000 0.427 292 T N 1.467 116.031 114.554 0.017 0.000 2.652 292 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 292 T C 1.664 176.447 174.700 0.138 0.000 1.039 292 T CA 2.052 64.181 62.100 0.049 0.000 1.153 292 T CB -0.552 68.391 68.868 0.126 0.000 0.863 292 T HN 0.301 nan 8.240 nan 0.000 0.428 293 N N 0.942 119.719 118.700 0.128 0.000 2.609 293 N HA 0.138 4.878 4.740 -0.000 0.000 0.190 293 N C 1.386 176.980 175.510 0.140 0.000 1.157 293 N CA 0.438 53.588 53.050 0.167 0.000 0.918 293 N CB -0.229 38.306 38.487 0.079 0.000 0.978 293 N HN 0.467 nan 8.380 nan 0.000 0.448 294 A N -1.241 121.618 122.820 0.066 0.000 2.044 294 A HA 0.035 4.355 4.320 -0.000 0.000 0.213 294 A C 2.236 179.805 177.584 -0.025 0.000 1.169 294 A CA 0.196 52.245 52.037 0.019 0.000 0.724 294 A CB -0.448 18.537 19.000 -0.025 0.000 0.840 294 A HN 0.412 nan 8.150 nan 0.000 0.463 295 C N -0.907 118.327 119.300 -0.110 0.000 2.437 295 C HA 0.079 4.539 4.460 -0.000 0.000 0.283 295 C C 0.356 175.039 174.990 -0.511 0.000 1.424 295 C CA 0.061 58.872 59.018 -0.346 0.000 1.782 295 C CB -1.805 25.617 27.740 -0.530 0.000 1.833 295 C HN 0.475 nan 8.230 nan 0.000 0.532 296 F N 1.364 121.322 119.950 0.013 0.000 2.293 296 F HA 0.496 5.023 4.527 -0.000 0.000 0.370 296 F C 0.093 175.910 175.800 0.029 0.000 1.090 296 F CA -0.078 57.944 58.000 0.038 0.000 1.133 296 F CB 0.296 39.314 39.000 0.030 0.000 1.360 296 F HN 0.032 nan 8.300 nan 0.000 0.489 297 E N 4.837 125.108 120.200 0.119 0.000 3.397 297 E HA 0.164 4.514 4.350 -0.000 0.000 0.380 297 E C -2.492 174.137 176.600 0.049 0.000 0.989 297 E CA -1.211 55.240 56.400 0.084 0.000 0.783 297 E CB 1.169 30.906 29.700 0.062 0.000 1.334 297 E HN 0.048 nan 8.360 nan 0.000 0.457 298 P HA -0.254 nan 4.420 nan 0.000 0.218 298 P C 0.885 178.196 177.300 0.018 0.000 1.147 298 P CA 1.916 65.031 63.100 0.025 0.000 0.827 298 P CB 0.197 31.909 31.700 0.019 0.000 0.778 299 A N -0.692 122.142 122.820 0.023 0.000 1.970 299 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 299 A C 2.032 179.631 177.584 0.024 0.000 1.170 299 A CA 1.064 53.114 52.037 0.023 0.000 0.645 299 A CB -0.763 18.250 19.000 0.022 0.000 0.816 299 A HN 0.110 nan 8.150 nan 0.000 0.447 300 N N -0.323 118.390 118.700 0.020 0.000 2.270 300 N HA 0.098 4.838 4.740 -0.000 0.000 0.198 300 N C 0.681 176.200 175.510 0.016 0.000 1.117 300 N CA 0.069 53.131 53.050 0.020 0.000 0.845 300 N CB 0.160 38.650 38.487 0.005 0.000 0.980 300 N HN 0.633 nan 8.380 nan 0.000 0.486 301 Q N -0.464 119.343 119.800 0.011 0.000 2.700 301 Q HA 0.179 4.519 4.340 -0.000 0.000 0.191 301 Q C 0.985 176.995 176.000 0.016 0.000 1.134 301 Q CA 0.538 56.343 55.803 0.003 0.000 1.193 301 Q CB 0.660 29.395 28.738 -0.006 0.000 1.250 301 Q HN 0.053 nan 8.270 nan 0.000 0.670 302 M N -0.399 119.204 119.600 0.006 0.000 2.151 302 M HA 0.234 4.714 4.480 -0.000 0.000 0.382 302 M C -1.473 174.829 176.300 0.004 0.000 0.861 302 M CA 0.263 55.575 55.300 0.020 0.000 1.088 302 M CB 1.547 34.163 32.600 0.026 0.000 2.060 302 M HN 0.274 nan 8.290 nan 0.000 0.695 303 V N 1.738 121.628 119.914 -0.041 0.000 2.447 303 V HA 0.286 4.406 4.120 -0.000 0.000 0.292 303 V C -0.335 175.698 176.094 -0.101 0.000 1.021 303 V CA -0.942 61.294 62.300 -0.106 0.000 0.850 303 V CB 1.615 33.310 31.823 -0.215 0.000 1.005 303 V HN 0.081 nan 8.190 nan 0.000 0.426 304 K N 4.236 124.600 120.400 -0.060 0.000 2.320 304 K HA 0.099 4.419 4.320 -0.000 0.000 0.269 304 K C 0.188 176.731 176.600 -0.095 0.000 1.182 304 K CA 0.645 56.904 56.287 -0.045 0.000 1.190 304 K CB -0.649 31.851 32.500 -0.001 0.000 0.850 304 K HN 0.984 nan 8.250 nan 0.000 0.467 305 C N 0.338 119.582 119.300 -0.093 0.000 4.194 305 C HA 0.751 5.211 4.460 -0.000 0.000 0.292 305 C C -1.081 173.856 174.990 -0.087 0.000 5.056 305 C CA -0.152 58.798 59.018 -0.112 0.000 1.614 305 C CB 0.738 28.389 27.740 -0.149 0.000 5.888 305 C HN 0.746 nan 8.230 nan 0.000 0.500 306 D N -0.160 120.194 120.400 -0.077 0.000 2.127 306 D HA 0.303 4.943 4.640 -0.000 0.000 0.167 306 D C -2.870 173.450 176.300 0.034 0.000 1.210 306 D CA -0.248 53.732 54.000 -0.034 0.000 0.976 306 D CB 0.748 41.510 40.800 -0.064 0.000 1.975 306 D HN 0.346 nan 8.370 nan 0.000 0.527 307 P HA 0.208 nan 4.420 nan 0.000 0.258 307 P C 1.154 178.519 177.300 0.108 0.000 1.416 307 P CA 0.035 63.138 63.100 0.006 0.000 0.927 307 P CB 0.370 31.977 31.700 -0.155 0.000 1.444 308 R N 0.225 120.806 120.500 0.136 0.000 2.153 308 R HA -0.115 4.225 4.340 -0.000 0.000 0.218 308 R C 2.116 178.495 176.300 0.132 0.000 1.072 308 R CA 1.618 57.797 56.100 0.133 0.000 0.990 308 R CB -2.048 28.315 30.300 0.104 0.000 0.889 308 R HN 0.468 nan 8.270 nan 0.000 0.452 309 H N -0.542 118.527 119.070 -0.002 0.000 2.451 309 H HA 0.231 4.787 4.556 -0.000 0.000 0.294 309 H C 0.974 176.286 175.328 -0.026 0.000 1.028 309 H CA 0.925 56.965 56.048 -0.013 0.000 1.349 309 H CB -0.566 29.186 29.762 -0.017 0.000 1.444 309 H HN 0.389 nan 8.280 nan 0.000 0.538 310 G N 1.538 110.191 108.800 -0.245 0.000 2.528 310 G HA2 0.386 4.346 3.960 -0.000 0.000 0.289 310 G HA3 0.386 4.346 3.960 -0.000 0.000 0.289 310 G C -0.244 174.549 174.900 -0.178 0.000 1.192 310 G CA -0.710 44.192 45.100 -0.330 0.000 0.921 310 G HN 0.308 nan 8.290 nan 0.000 0.512 311 K N -1.012 119.287 120.400 -0.168 0.000 2.520 311 K HA 0.407 4.727 4.320 -0.000 0.000 0.256 311 K C -1.325 175.147 176.600 -0.215 0.000 1.033 311 K CA -0.550 55.662 56.287 -0.124 0.000 1.007 311 K CB 0.943 33.383 32.500 -0.100 0.000 1.330 311 K HN 0.459 nan 8.250 nan 0.000 0.507 312 Y N 0.115 120.222 120.300 -0.321 0.000 2.499 312 Y HA 0.236 4.786 4.550 -0.000 0.000 0.347 312 Y C 0.786 176.526 175.900 -0.265 0.000 0.987 312 Y CA -0.689 57.132 58.100 -0.465 0.000 1.044 312 Y CB 2.014 39.794 38.460 -1.133 0.000 1.245 312 Y HN 0.527 nan 8.280 nan 0.000 0.461 313 M N 1.101 120.814 119.600 0.187 0.000 2.327 313 M HA 0.841 5.321 4.480 -0.000 0.000 0.365 313 M C -0.876 175.710 176.300 0.478 0.000 0.992 313 M CA -0.130 55.378 55.300 0.348 0.000 0.985 313 M CB 1.293 34.047 32.600 0.258 0.000 1.673 313 M HN 0.497 nan 8.290 nan 0.000 0.586 314 A N 0.504 123.648 122.820 0.539 0.000 2.541 314 A HA 0.537 4.857 4.320 -0.000 0.000 0.312 314 A C -1.654 176.151 177.584 0.369 0.000 1.025 314 A CA -0.669 51.615 52.037 0.412 0.000 0.887 314 A CB 0.419 19.577 19.000 0.263 0.000 1.189 314 A HN 0.430 nan 8.150 nan 0.000 0.377 315 C N 1.223 120.711 119.300 0.313 0.000 2.712 315 C HA 0.863 5.323 4.460 -0.000 0.000 0.308 315 C C -0.378 174.751 174.990 0.231 0.000 1.201 315 C CA -0.204 58.952 59.018 0.229 0.000 1.554 315 C CB 1.086 28.861 27.740 0.059 0.000 2.117 315 C HN 1.344 nan 8.230 nan 0.000 0.480 316 C N 6.128 125.587 119.300 0.266 0.000 2.919 316 C HA 0.416 4.876 4.460 -0.000 0.000 0.337 316 C C -0.629 174.465 174.990 0.172 0.000 1.039 316 C CA -0.577 58.569 59.018 0.214 0.000 1.373 316 C CB -0.666 27.161 27.740 0.145 0.000 1.843 316 C HN 0.857 nan 8.230 nan 0.000 0.493 317 L N 4.955 126.303 121.223 0.209 0.000 2.325 317 L HA 0.331 4.671 4.340 -0.000 0.000 0.284 317 L C -0.045 176.852 176.870 0.045 0.000 1.089 317 L CA 0.062 54.939 54.840 0.062 0.000 0.836 317 L CB 0.732 42.861 42.059 0.116 0.000 1.184 317 L HN 0.553 nan 8.230 nan 0.000 0.444 318 L N 5.050 126.232 121.223 -0.069 0.000 2.353 318 L HA 0.333 4.673 4.340 -0.000 0.000 0.269 318 L C -0.555 176.258 176.870 -0.096 0.000 1.085 318 L CA -0.292 54.535 54.840 -0.023 0.000 0.938 318 L CB 0.080 42.140 42.059 0.002 0.000 1.312 318 L HN 0.353 nan 8.230 nan 0.000 0.429 319 Y N 2.872 123.135 120.300 -0.062 0.000 2.326 319 Y HA 0.443 4.993 4.550 -0.000 0.000 0.333 319 Y C 0.454 176.300 175.900 -0.090 0.000 1.240 319 Y CA -0.264 57.786 58.100 -0.083 0.000 1.365 319 Y CB 0.775 39.186 38.460 -0.082 0.000 1.289 319 Y HN 0.362 nan 8.280 nan 0.000 0.548 320 R N 1.112 121.651 120.500 0.064 0.000 2.538 320 R HA 0.596 4.936 4.340 -0.000 0.000 0.292 320 R C -0.161 176.146 176.300 0.012 0.000 1.008 320 R CA -0.205 55.893 56.100 -0.003 0.000 0.896 320 R CB 1.945 32.237 30.300 -0.013 0.000 1.187 320 R HN 0.953 nan 8.270 nan 0.000 0.440 321 G N 1.960 110.758 108.800 -0.003 0.000 2.217 321 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.173 321 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.173 321 G C -1.653 173.292 174.900 0.075 0.000 1.324 321 G CA -0.533 44.581 45.100 0.023 0.000 1.225 321 G HN 0.534 nan 8.290 nan 0.000 0.494 322 D N 0.421 120.856 120.400 0.057 0.000 2.467 322 D HA 0.569 5.209 4.640 -0.000 0.000 0.220 322 D C -0.518 175.812 176.300 0.049 0.000 1.103 322 D CA -0.179 53.857 54.000 0.059 0.000 0.886 322 D CB 1.023 41.836 40.800 0.021 0.000 1.025 322 D HN 0.655 nan 8.370 nan 0.000 0.514 323 V N 4.093 124.052 119.914 0.075 0.000 2.737 323 V HA 0.215 4.335 4.120 -0.000 0.000 0.298 323 V C -0.370 175.736 176.094 0.020 0.000 1.163 323 V CA -0.943 61.361 62.300 0.007 0.000 0.925 323 V CB 2.033 33.817 31.823 -0.066 0.000 1.037 323 V HN 0.311 nan 8.190 nan 0.000 0.433 324 V N 6.891 126.794 119.914 -0.018 0.000 2.465 324 V HA 0.279 4.399 4.120 -0.000 0.000 0.279 324 V C -1.359 174.687 176.094 -0.080 0.000 1.045 324 V CA -1.368 60.921 62.300 -0.017 0.000 0.938 324 V CB 1.649 33.460 31.823 -0.020 0.000 0.986 324 V HN 0.716 nan 8.190 nan 0.000 0.467 325 P HA -0.186 nan 4.420 nan 0.000 0.216 325 P C 1.758 178.996 177.300 -0.104 0.000 1.153 325 P CA 0.938 63.962 63.100 -0.126 0.000 0.858 325 P CB 0.101 31.752 31.700 -0.083 0.000 0.789 326 K N -0.092 120.269 120.400 -0.066 0.000 2.259 326 K HA -0.244 4.076 4.320 -0.000 0.000 0.206 326 K C 1.038 177.601 176.600 -0.061 0.000 1.044 326 K CA 1.952 58.208 56.287 -0.053 0.000 0.931 326 K CB -0.542 31.936 32.500 -0.037 0.000 0.726 326 K HN 0.223 nan 8.250 nan 0.000 0.467 327 D N -0.324 120.030 120.400 -0.078 0.000 2.214 327 D HA -0.085 4.555 4.640 -0.000 0.000 0.217 327 D C 2.110 178.351 176.300 -0.099 0.000 0.973 327 D CA 0.592 54.547 54.000 -0.076 0.000 0.880 327 D CB -0.624 40.135 40.800 -0.069 0.000 1.031 327 D HN -0.045 nan 8.370 nan 0.000 0.468 328 V N 2.212 122.023 119.914 -0.172 0.000 2.311 328 V HA -0.352 3.768 4.120 -0.000 0.000 0.256 328 V C 2.130 178.148 176.094 -0.127 0.000 1.077 328 V CA 1.902 64.067 62.300 -0.224 0.000 1.067 328 V CB -0.740 30.809 31.823 -0.456 0.000 0.659 328 V HN 0.247 nan 8.190 nan 0.000 0.451 329 N N -0.103 118.533 118.700 -0.107 0.000 2.006 329 N HA -0.192 4.548 4.740 -0.000 0.000 0.196 329 N C 1.875 177.347 175.510 -0.063 0.000 1.057 329 N CA 1.419 54.425 53.050 -0.074 0.000 0.853 329 N CB -0.323 38.131 38.487 -0.056 0.000 1.051 329 N HN 0.486 nan 8.380 nan 0.000 0.423 330 A N 0.782 123.570 122.820 -0.053 0.000 2.131 330 A HA -0.043 4.277 4.320 -0.000 0.000 0.220 330 A C 2.118 179.677 177.584 -0.043 0.000 1.158 330 A CA 1.688 53.699 52.037 -0.042 0.000 0.665 330 A CB -0.504 18.475 19.000 -0.035 0.000 0.795 330 A HN 0.458 nan 8.150 nan 0.000 0.460 331 A N -0.026 122.765 122.820 -0.048 0.000 1.850 331 A HA 0.085 4.405 4.320 -0.000 0.000 0.212 331 A C 1.990 179.537 177.584 -0.063 0.000 1.208 331 A CA 1.114 53.129 52.037 -0.036 0.000 0.609 331 A CB -0.597 18.398 19.000 -0.007 0.000 0.860 331 A HN 0.390 nan 8.150 nan 0.000 0.448 332 I N 0.351 120.860 120.570 -0.102 0.000 2.113 332 I HA -0.404 3.766 4.170 -0.000 0.000 0.242 332 I C 2.975 179.011 176.117 -0.136 0.000 1.057 332 I CA 1.443 62.623 61.300 -0.200 0.000 1.314 332 I CB -0.320 37.504 38.000 -0.292 0.000 1.022 332 I HN 0.388 nan 8.210 nan 0.000 0.408 333 A N 0.407 123.177 122.820 -0.084 0.000 1.896 333 A HA -0.341 3.979 4.320 -0.000 0.000 0.220 333 A C 2.370 179.923 177.584 -0.053 0.000 1.206 333 A CA 3.190 55.196 52.037 -0.052 0.000 0.647 333 A CB -1.476 17.501 19.000 -0.038 0.000 0.828 333 A HN 0.570 nan 8.150 nan 0.000 0.455 334 T N -2.574 111.946 114.554 -0.057 0.000 3.043 334 T HA 0.179 4.529 4.350 -0.000 0.000 0.263 334 T C 1.911 176.566 174.700 -0.075 0.000 1.094 334 T CA 1.177 63.245 62.100 -0.052 0.000 1.127 334 T CB -0.903 67.942 68.868 -0.037 0.000 0.905 334 T HN 0.865 nan 8.240 nan 0.000 0.490 335 I N 1.815 122.319 120.570 -0.109 0.000 2.423 335 I HA 0.145 4.315 4.170 -0.000 0.000 0.254 335 I C 2.929 178.931 176.117 -0.193 0.000 1.151 335 I CA 2.276 63.464 61.300 -0.186 0.000 1.421 335 I CB -2.116 35.711 38.000 -0.289 0.000 1.079 335 I HN 0.692 nan 8.210 nan 0.000 0.431 336 K N -0.134 120.193 120.400 -0.121 0.000 2.021 336 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 336 K C 2.201 178.764 176.600 -0.061 0.000 1.047 336 K CA 1.806 58.047 56.287 -0.075 0.000 0.943 336 K CB -1.738 30.749 32.500 -0.021 0.000 0.725 336 K HN 0.655 nan 8.250 nan 0.000 0.439 337 T N 0.274 114.798 114.554 -0.049 0.000 2.867 337 T HA 0.115 4.465 4.350 -0.000 0.000 0.268 337 T C 1.637 176.316 174.700 -0.035 0.000 1.057 337 T CA 1.608 63.688 62.100 -0.034 0.000 1.136 337 T CB -0.098 68.754 68.868 -0.026 0.000 0.874 337 T HN 0.606 nan 8.240 nan 0.000 0.466 338 K N 1.163 121.536 120.400 -0.045 0.000 3.122 338 K HA 0.737 5.057 4.320 -0.000 0.000 0.193 338 K C -0.011 176.558 176.600 -0.051 0.000 1.141 338 K CA -0.687 55.577 56.287 -0.038 0.000 0.975 338 K CB 0.331 32.815 32.500 -0.027 0.000 1.173 338 K HN 0.245 nan 8.250 nan 0.000 0.546 339 R N -1.408 119.055 120.500 -0.062 0.000 2.975 339 R HA 0.381 4.721 4.340 -0.000 0.000 0.273 339 R C -1.153 175.103 176.300 -0.074 0.000 0.971 339 R CA -0.305 55.747 56.100 -0.079 0.000 0.836 339 R CB 0.571 30.782 30.300 -0.149 0.000 1.460 339 R HN 0.115 nan 8.270 nan 0.000 0.459 340 T N 2.987 117.493 114.554 -0.080 0.000 3.151 340 T HA 0.243 4.593 4.350 -0.000 0.000 0.332 340 T C 1.630 176.284 174.700 -0.077 0.000 1.245 340 T CA -0.356 61.719 62.100 -0.042 0.000 1.019 340 T CB -0.283 68.595 68.868 0.016 0.000 1.109 340 T HN 0.387 nan 8.240 nan 0.000 0.621 341 I N 1.952 122.485 120.570 -0.061 0.000 2.082 341 I HA -0.185 3.985 4.170 -0.000 0.000 0.221 341 I C 1.326 177.409 176.117 -0.057 0.000 1.010 341 I CA 1.718 62.993 61.300 -0.043 0.000 1.322 341 I CB -1.833 36.170 38.000 0.005 0.000 1.044 341 I HN 0.635 nan 8.210 nan 0.000 0.384 342 Q N 0.363 120.159 119.800 -0.006 0.000 2.454 342 Q HA -0.189 4.151 4.340 -0.000 0.000 0.307 342 Q C -0.536 175.433 176.000 -0.052 0.000 1.430 342 Q CA 1.285 57.088 55.803 0.001 0.000 0.786 342 Q CB -2.871 25.900 28.738 0.056 0.000 1.115 342 Q HN 0.622 nan 8.270 nan 0.000 0.389 343 F N -1.036 118.894 119.950 -0.032 0.000 2.492 343 F HA 0.691 5.218 4.527 -0.000 0.000 0.327 343 F C 0.998 176.709 175.800 -0.147 0.000 1.079 343 F CA -0.986 56.971 58.000 -0.072 0.000 0.967 343 F CB 2.167 41.094 39.000 -0.122 0.000 1.169 343 F HN 0.328 nan 8.300 nan 0.000 0.472 344 V N 5.133 125.108 119.914 0.101 0.000 2.488 344 V HA 0.048 4.168 4.120 -0.000 0.000 0.277 344 V C 0.739 176.556 176.094 -0.463 0.000 1.046 344 V CA 0.134 62.268 62.300 -0.276 0.000 0.986 344 V CB 0.819 32.328 31.823 -0.524 0.000 0.989 344 V HN 0.968 nan 8.190 nan 0.000 0.475 345 D N 4.686 124.883 120.400 -0.337 0.000 4.542 345 D HA -0.262 4.378 4.640 -0.000 0.000 0.406 345 D C 0.596 176.829 176.300 -0.111 0.000 1.577 345 D CA 3.129 56.982 54.000 -0.246 0.000 1.224 345 D CB -0.297 40.357 40.800 -0.243 0.000 0.445 345 D HN 0.871 nan 8.370 nan 0.000 0.966 346 W N 0.054 121.396 121.300 0.071 0.000 1.505 346 W HA 0.515 5.175 4.660 -0.000 0.000 0.300 346 W C -0.525 176.006 176.519 0.020 0.000 0.826 346 W CA -0.894 56.476 57.345 0.043 0.000 2.485 346 W CB -0.438 29.056 29.460 0.058 0.000 2.163 346 W HN 0.233 nan 8.180 nan 0.000 0.518 347 C N 2.813 122.218 119.300 0.174 0.000 3.073 347 C HA 0.276 4.736 4.460 -0.000 0.000 0.412 347 C C -0.986 173.910 174.990 -0.156 0.000 1.040 347 C CA -1.202 57.880 59.018 0.107 0.000 1.254 347 C CB 0.406 28.244 27.740 0.163 0.000 1.642 347 C HN 0.300 nan 8.230 nan 0.000 0.530 348 P HA -0.175 nan 4.420 nan 0.000 0.247 348 P C 0.601 177.680 177.300 -0.369 0.000 0.823 348 P CA 3.535 66.518 63.100 -0.195 0.000 1.117 348 P CB -0.189 31.414 31.700 -0.162 0.000 0.754 349 T N -5.374 108.855 114.554 -0.541 0.000 4.168 349 T HA 0.479 4.829 4.350 -0.000 0.000 0.322 349 T C 0.597 174.701 174.700 -0.992 0.000 0.896 349 T CA -0.007 61.507 62.100 -0.977 0.000 0.949 349 T CB -0.212 68.408 68.868 -0.413 0.000 1.125 349 T HN 0.646 nan 8.240 nan 0.000 0.504 350 G N 2.228 110.605 108.800 -0.705 0.000 2.582 350 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.300 350 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.300 350 G C -0.044 174.756 174.900 -0.167 0.000 1.300 350 G CA 0.198 45.067 45.100 -0.385 0.000 0.959 350 G HN 1.202 nan 8.290 nan 0.000 0.548 351 F N -1.056 118.946 119.950 0.087 0.000 2.691 351 F HA -0.135 4.391 4.527 -0.000 0.000 0.403 351 F C 0.862 176.700 175.800 0.063 0.000 1.094 351 F CA 0.611 58.669 58.000 0.098 0.000 1.291 351 F CB -1.041 38.016 39.000 0.095 0.000 1.773 351 F HN 0.462 nan 8.300 nan 0.000 0.763 352 K N 1.447 121.981 120.400 0.224 0.000 2.297 352 K HA 0.564 4.884 4.320 -0.000 0.000 0.286 352 K C -0.140 176.551 176.600 0.152 0.000 1.053 352 K CA -0.465 55.903 56.287 0.135 0.000 0.940 352 K CB 2.106 34.652 32.500 0.076 0.000 1.019 352 K HN 0.069 nan 8.250 nan 0.000 0.475 353 V N 2.349 122.333 119.914 0.117 0.000 2.407 353 V HA 0.359 4.479 4.120 -0.000 0.000 0.291 353 V C 0.210 176.350 176.094 0.076 0.000 1.018 353 V CA -0.844 61.534 62.300 0.130 0.000 0.842 353 V CB 1.720 33.609 31.823 0.109 0.000 0.996 353 V HN 0.923 nan 8.190 nan 0.000 0.426 354 G N 5.539 114.394 108.800 0.092 0.000 2.422 354 G HA2 0.709 4.669 3.960 -0.000 0.000 0.317 354 G HA3 0.709 4.669 3.960 -0.000 0.000 0.317 354 G C -0.752 174.170 174.900 0.035 0.000 1.210 354 G CA -0.452 44.666 45.100 0.030 0.000 0.930 354 G HN 0.583 nan 8.290 nan 0.000 0.468 355 I N 2.046 122.571 120.570 -0.074 0.000 2.354 355 I HA 0.236 4.406 4.170 -0.000 0.000 0.292 355 I C -0.438 175.496 176.117 -0.304 0.000 0.989 355 I CA -0.737 60.466 61.300 -0.163 0.000 1.188 355 I CB 2.045 39.894 38.000 -0.253 0.000 1.342 355 I HN 0.392 nan 8.210 nan 0.000 0.457 356 N N 3.684 122.231 118.700 -0.256 0.000 2.392 356 N HA 0.309 5.049 4.740 -0.000 0.000 0.283 356 N C 0.254 175.573 175.510 -0.319 0.000 1.003 356 N CA -0.456 52.399 53.050 -0.326 0.000 0.892 356 N CB 1.212 39.568 38.487 -0.217 0.000 1.193 356 N HN 0.380 nan 8.380 nan 0.000 0.487 357 Y N 0.574 120.802 120.300 -0.119 0.000 2.439 357 Y HA -0.066 4.484 4.550 -0.000 0.000 0.292 357 Y C 0.983 176.788 175.900 -0.159 0.000 1.130 357 Y CA 0.014 58.046 58.100 -0.113 0.000 1.254 357 Y CB 0.156 38.564 38.460 -0.086 0.000 1.000 357 Y HN 0.533 nan 8.280 nan 0.000 0.554 358 Q N 2.736 122.442 119.800 -0.158 0.000 2.292 358 Q HA 0.026 4.366 4.340 -0.000 0.000 0.290 358 Q C -2.617 173.268 176.000 -0.192 0.000 1.161 358 Q CA -1.380 54.241 55.803 -0.303 0.000 0.974 358 Q CB 0.252 28.486 28.738 -0.841 0.000 1.136 358 Q HN 0.057 nan 8.270 nan 0.000 0.398 359 P HA 0.096 nan 4.420 nan 0.000 0.271 359 P C -2.513 174.759 177.300 -0.047 0.000 1.216 359 P CA -1.107 61.965 63.100 -0.048 0.000 0.771 359 P CB 0.378 32.064 31.700 -0.024 0.000 0.864 360 P HA 0.027 nan 4.420 nan 0.000 0.266 360 P C -0.509 176.804 177.300 0.022 0.000 1.215 360 P CA 0.234 63.345 63.100 0.019 0.000 0.763 360 P CB 0.164 31.905 31.700 0.068 0.000 0.806 361 T N 0.592 115.159 114.554 0.023 0.000 2.902 361 T HA 0.551 4.901 4.350 -0.000 0.000 0.283 361 T C 0.401 175.121 174.700 0.033 0.000 1.009 361 T CA -0.798 61.317 62.100 0.024 0.000 1.051 361 T CB 1.649 70.531 68.868 0.023 0.000 0.999 361 T HN 0.381 nan 8.240 nan 0.000 0.474 362 V N 0.171 120.101 119.914 0.027 0.000 3.046 362 V HA 0.796 4.916 4.120 -0.000 0.000 0.316 362 V C -0.146 175.966 176.094 0.031 0.000 1.104 362 V CA -1.275 61.040 62.300 0.025 0.000 1.006 362 V CB 1.676 33.509 31.823 0.017 0.000 1.058 362 V HN 0.921 nan 8.190 nan 0.000 0.440 363 V N 2.206 122.140 119.914 0.034 0.000 2.585 363 V HA 0.261 4.381 4.120 -0.000 0.000 0.296 363 V C -0.908 175.207 176.094 0.034 0.000 1.035 363 V CA -0.392 61.936 62.300 0.046 0.000 1.084 363 V CB 0.222 32.073 31.823 0.048 0.000 0.953 363 V HN 0.943 nan 8.190 nan 0.000 0.483 364 P HA -0.030 nan 4.420 nan 0.000 0.214 364 P C 1.227 178.538 177.300 0.018 0.000 1.162 364 P CA 1.680 64.795 63.100 0.026 0.000 0.874 364 P CB 0.157 31.875 31.700 0.030 0.000 0.784 365 G N -0.452 108.359 108.800 0.019 0.000 3.327 365 G HA2 0.281 4.241 3.960 -0.000 0.000 0.240 365 G HA3 0.281 4.241 3.960 -0.000 0.000 0.240 365 G C 0.964 175.872 174.900 0.014 0.000 1.222 365 G CA 0.216 45.324 45.100 0.014 0.000 0.871 365 G HN 0.421 nan 8.290 nan 0.000 0.525 366 G N 0.395 109.204 108.800 0.015 0.000 2.421 366 G HA2 0.138 4.098 3.960 -0.000 0.000 0.238 366 G HA3 0.138 4.098 3.960 -0.000 0.000 0.238 366 G C 0.582 175.486 174.900 0.007 0.000 1.544 366 G CA 0.569 45.677 45.100 0.013 0.000 1.044 366 G HN 0.225 nan 8.290 nan 0.000 0.537 367 D N -1.311 119.091 120.400 0.004 0.000 2.457 367 D HA 0.109 4.749 4.640 -0.000 0.000 0.254 367 D C 0.544 176.845 176.300 0.003 0.000 1.097 367 D CA -0.013 53.988 54.000 0.002 0.000 0.870 367 D CB 0.531 41.330 40.800 -0.002 0.000 1.253 367 D HN 0.069 nan 8.370 nan 0.000 0.500 368 L N 1.129 122.354 121.223 0.003 0.000 2.454 368 L HA 0.578 4.918 4.340 -0.000 0.000 0.256 368 L C 0.469 177.339 176.870 -0.001 0.000 1.136 368 L CA -0.786 54.059 54.840 0.009 0.000 0.804 368 L CB 0.500 42.568 42.059 0.015 0.000 1.181 368 L HN -0.184 nan 8.230 nan 0.000 0.469 369 A N -0.051 122.768 122.820 -0.003 0.000 2.299 369 A HA 0.697 5.017 4.320 -0.000 0.000 0.332 369 A C -0.659 176.909 177.584 -0.026 0.000 1.131 369 A CA -0.840 51.176 52.037 -0.035 0.000 0.844 369 A CB 0.592 19.555 19.000 -0.062 0.000 1.251 369 A HN 0.742 nan 8.150 nan 0.000 0.486 370 K N 0.381 120.748 120.400 -0.055 0.000 2.379 370 K HA 0.446 4.766 4.320 -0.000 0.000 0.284 370 K C -0.524 176.059 176.600 -0.028 0.000 1.044 370 K CA -0.328 55.938 56.287 -0.035 0.000 0.974 370 K CB 0.333 32.803 32.500 -0.049 0.000 0.962 370 K HN 0.282 nan 8.250 nan 0.000 0.474 371 V N 1.865 121.781 119.914 0.004 0.000 2.850 371 V HA 0.125 4.245 4.120 -0.000 0.000 0.315 371 V C 0.908 177.005 176.094 0.006 0.000 1.064 371 V CA -0.993 61.312 62.300 0.008 0.000 0.979 371 V CB 1.574 33.413 31.823 0.027 0.000 1.039 371 V HN 0.798 nan 8.190 nan 0.000 0.452 372 Q N 1.349 121.153 119.800 0.006 0.000 2.250 372 Q HA 0.124 4.464 4.340 -0.000 0.000 0.200 372 Q C 0.347 176.355 176.000 0.013 0.000 0.941 372 Q CA 0.873 56.681 55.803 0.009 0.000 0.872 372 Q CB 0.288 29.032 28.738 0.011 0.000 0.965 372 Q HN 0.861 nan 8.270 nan 0.000 0.480 373 R N -0.873 119.634 120.500 0.013 0.000 2.536 373 R HA 0.790 5.130 4.340 -0.000 0.000 0.269 373 R C -1.527 174.763 176.300 -0.016 0.000 1.113 373 R CA -0.475 55.636 56.100 0.018 0.000 0.948 373 R CB 1.330 31.653 30.300 0.039 0.000 1.237 373 R HN -0.044 nan 8.270 nan 0.000 0.441 374 A N 2.424 125.216 122.820 -0.048 0.000 2.454 374 A HA 0.813 5.133 4.320 -0.000 0.000 0.302 374 A C -0.818 176.620 177.584 -0.243 0.000 1.079 374 A CA -0.740 51.180 52.037 -0.195 0.000 0.731 374 A CB 2.133 21.000 19.000 -0.223 0.000 1.299 374 A HN 0.436 nan 8.150 nan 0.000 0.413 375 V N -0.781 118.871 119.914 -0.436 0.000 3.158 375 V HA 0.575 4.694 4.120 -0.000 0.000 0.315 375 V C 0.475 176.278 176.094 -0.486 0.000 1.148 375 V CA -0.277 61.700 62.300 -0.539 0.000 1.042 375 V CB 1.605 33.014 31.823 -0.690 0.000 1.101 375 V HN 1.225 nan 8.190 nan 0.000 0.448 376 C N 0.599 119.668 119.300 -0.385 0.000 3.913 376 C HA 0.449 4.909 4.460 -0.000 0.000 0.535 376 C C 0.755 175.651 174.990 -0.156 0.000 1.470 376 C CA 0.290 59.185 59.018 -0.205 0.000 2.358 376 C CB -0.517 27.184 27.740 -0.065 0.000 3.527 376 C HN 1.048 nan 8.230 nan 0.000 0.611 377 M N 1.456 120.947 119.600 -0.182 0.000 3.980 377 M HA -0.187 4.293 4.480 -0.000 0.000 0.157 377 M C -1.751 174.527 176.300 -0.037 0.000 1.523 377 M CA 0.819 56.045 55.300 -0.124 0.000 1.077 377 M CB -0.475 31.967 32.600 -0.264 0.000 1.342 377 M HN 0.367 nan 8.290 nan 0.000 0.263 378 L N 5.647 126.896 121.223 0.043 0.000 2.282 378 L HA 0.777 5.117 4.340 -0.000 0.000 0.288 378 L C 0.045 177.018 176.870 0.172 0.000 1.033 378 L CA -0.543 54.358 54.840 0.101 0.000 0.807 378 L CB 1.843 43.990 42.059 0.148 0.000 1.209 378 L HN 0.783 nan 8.230 nan 0.000 0.423 379 S N 1.397 117.212 115.700 0.192 0.000 2.536 379 S HA 0.350 4.820 4.470 -0.000 0.000 0.287 379 S C -0.730 173.990 174.600 0.200 0.000 1.101 379 S CA -0.926 57.433 58.200 0.265 0.000 0.950 379 S CB 1.892 65.366 63.200 0.458 0.000 1.056 379 S HN 0.643 nan 8.310 nan 0.000 0.481 380 N N 1.607 120.438 118.700 0.218 0.000 2.801 380 N HA 0.243 4.983 4.740 -0.000 0.000 0.235 380 N C -0.483 175.073 175.510 0.076 0.000 1.069 380 N CA -0.012 53.152 53.050 0.191 0.000 0.946 380 N CB 0.522 39.160 38.487 0.253 0.000 1.212 380 N HN 0.660 nan 8.380 nan 0.000 0.509 381 T N -0.178 114.315 114.554 -0.101 0.000 2.902 381 T HA 0.126 4.476 4.350 -0.000 0.000 0.280 381 T C 1.601 176.252 174.700 -0.082 0.000 0.992 381 T CA -0.333 61.564 62.100 -0.338 0.000 1.015 381 T CB 1.349 69.828 68.868 -0.648 0.000 1.044 381 T HN 0.453 nan 8.240 nan 0.000 0.520 382 T N -0.182 114.315 114.554 -0.094 0.000 3.086 382 T HA 0.339 4.689 4.350 -0.000 0.000 0.250 382 T C 1.644 176.281 174.700 -0.104 0.000 1.074 382 T CA 0.473 62.596 62.100 0.038 0.000 0.988 382 T CB -0.163 68.743 68.868 0.064 0.000 0.988 382 T HN 0.571 nan 8.240 nan 0.000 0.530 383 A N 0.937 123.666 122.820 -0.150 0.000 2.218 383 A HA 0.448 4.768 4.320 -0.000 0.000 0.209 383 A C 1.953 179.435 177.584 -0.171 0.000 1.168 383 A CA -0.003 51.981 52.037 -0.089 0.000 0.804 383 A CB -0.719 18.287 19.000 0.010 0.000 0.834 383 A HN 0.627 nan 8.150 nan 0.000 0.482 384 I N -0.667 119.756 120.570 -0.246 0.000 2.850 384 I HA -0.161 4.009 4.170 -0.000 0.000 0.266 384 I C 1.965 177.804 176.117 -0.464 0.000 1.257 384 I CA 1.044 62.154 61.300 -0.317 0.000 1.465 384 I CB 0.082 37.948 38.000 -0.223 0.000 1.091 384 I HN 0.294 nan 8.210 nan 0.000 0.467 385 A N -0.182 122.368 122.820 -0.450 0.000 2.261 385 A HA -0.059 4.261 4.320 -0.000 0.000 0.208 385 A C 1.875 179.368 177.584 -0.153 0.000 1.223 385 A CA 0.538 52.394 52.037 -0.302 0.000 0.833 385 A CB -0.502 18.296 19.000 -0.337 0.000 0.830 385 A HN 0.537 nan 8.150 nan 0.000 0.483 386 E N 0.180 120.263 120.200 -0.196 0.000 2.072 386 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 386 E C 2.223 178.714 176.600 -0.181 0.000 0.985 386 E CA 1.216 57.531 56.400 -0.143 0.000 0.801 386 E CB -0.205 29.403 29.700 -0.153 0.000 0.750 386 E HN 0.588 nan 8.360 nan 0.000 0.452 387 A N -0.046 122.544 122.820 -0.383 0.000 1.933 387 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 387 A C 1.878 179.262 177.584 -0.334 0.000 1.175 387 A CA 1.308 53.014 52.037 -0.552 0.000 0.628 387 A CB -1.135 17.141 19.000 -1.206 0.000 0.814 387 A HN 0.504 nan 8.150 nan 0.000 0.444 388 W N -0.715 120.460 121.300 -0.209 0.000 2.392 388 W HA -0.010 4.650 4.660 -0.000 0.000 0.279 388 W C 2.525 178.990 176.519 -0.091 0.000 1.225 388 W CA 0.604 57.848 57.345 -0.168 0.000 1.233 388 W CB 0.167 29.491 29.460 -0.227 0.000 1.122 388 W HN 0.450 nan 8.180 nan 0.000 0.561 389 A N 0.008 122.923 122.820 0.158 0.000 1.942 389 A HA 0.031 4.351 4.320 -0.000 0.000 0.209 389 A C 1.797 179.459 177.584 0.131 0.000 1.214 389 A CA 0.343 52.454 52.037 0.123 0.000 0.686 389 A CB -0.484 18.568 19.000 0.087 0.000 0.871 389 A HN 0.123 nan 8.150 nan 0.000 0.460 390 R N -0.771 119.787 120.500 0.097 0.000 2.139 390 R HA -0.156 4.184 4.340 -0.000 0.000 0.243 390 R C 1.878 178.263 176.300 0.142 0.000 1.145 390 R CA 1.405 57.565 56.100 0.100 0.000 0.976 390 R CB -0.469 29.878 30.300 0.080 0.000 0.866 390 R HN 0.424 nan 8.270 nan 0.000 0.449 391 L N 1.166 122.495 121.223 0.178 0.000 1.948 391 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 391 L C 1.497 178.459 176.870 0.154 0.000 1.074 391 L CA 1.964 56.891 54.840 0.144 0.000 0.753 391 L CB -0.686 41.492 42.059 0.198 0.000 0.888 391 L HN 0.085 nan 8.230 nan 0.000 0.432 392 D N -1.441 119.039 120.400 0.133 0.000 2.157 392 D HA -0.287 4.353 4.640 -0.000 0.000 0.191 392 D C 2.175 178.585 176.300 0.185 0.000 1.004 392 D CA 1.662 55.715 54.000 0.089 0.000 0.854 392 D CB -0.420 40.394 40.800 0.023 0.000 0.936 392 D HN 0.476 nan 8.370 nan 0.000 0.446 393 H N 1.100 120.235 119.070 0.108 0.000 2.352 393 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 393 H C 1.907 177.311 175.328 0.127 0.000 1.097 393 H CA 1.725 57.837 56.048 0.107 0.000 1.311 393 H CB 0.201 30.004 29.762 0.068 0.000 1.377 393 H HN 0.013 nan 8.280 nan 0.000 0.504 394 K N -0.005 120.542 120.400 0.246 0.000 1.977 394 K HA -0.196 4.124 4.320 -0.000 0.000 0.218 394 K C 2.215 178.899 176.600 0.139 0.000 1.051 394 K CA 1.963 58.341 56.287 0.152 0.000 0.953 394 K CB -0.785 31.770 32.500 0.092 0.000 0.727 394 K HN 0.167 nan 8.250 nan 0.000 0.445 395 F N 2.164 122.135 119.950 0.035 0.000 2.021 395 F HA -0.430 4.097 4.527 0.000 0.000 0.297 395 F C 1.888 177.781 175.800 0.154 0.000 1.152 395 F CA 2.042 60.115 58.000 0.122 0.000 1.201 395 F CB -0.427 38.645 39.000 0.121 0.000 0.951 395 F HN 0.155 nan 8.300 nan 0.000 0.504 396 D N 0.361 121.123 120.400 0.604 0.000 2.345 396 D HA -0.293 4.347 4.640 -0.000 0.000 0.190 396 D C 1.962 178.368 176.300 0.177 0.000 1.024 396 D CA 2.200 56.417 54.000 0.361 0.000 0.893 396 D CB -0.643 40.210 40.800 0.088 0.000 0.907 396 D HN 0.535 nan 8.370 nan 0.000 0.452 397 L N -2.177 119.073 121.223 0.045 0.000 2.529 397 L HA 0.182 4.522 4.340 -0.000 0.000 0.223 397 L C 1.932 178.819 176.870 0.029 0.000 1.113 397 L CA 0.254 55.082 54.840 -0.021 0.000 0.861 397 L CB 0.054 42.033 42.059 -0.135 0.000 1.012 397 L HN -0.056 nan 8.230 nan 0.000 0.461 398 M N -0.958 118.674 119.600 0.052 0.000 2.155 398 M HA -0.101 4.379 4.480 -0.000 0.000 0.258 398 M C 2.159 178.542 176.300 0.138 0.000 1.092 398 M CA 1.527 56.872 55.300 0.074 0.000 1.153 398 M CB -0.481 32.087 32.600 -0.053 0.000 1.316 398 M HN 0.261 nan 8.290 nan 0.000 0.431 399 Y N 1.428 121.762 120.300 0.058 0.000 2.219 399 Y HA -0.292 4.258 4.550 -0.000 0.000 0.283 399 Y C 2.154 178.037 175.900 -0.027 0.000 1.191 399 Y CA 1.618 59.689 58.100 -0.049 0.000 1.199 399 Y CB -0.506 37.837 38.460 -0.194 0.000 0.972 399 Y HN 0.295 nan 8.280 nan 0.000 0.527 400 A N -0.846 121.979 122.820 0.008 0.000 2.259 400 A HA -0.122 4.198 4.320 -0.000 0.000 0.212 400 A C 1.743 179.258 177.584 -0.115 0.000 1.178 400 A CA 1.608 53.615 52.037 -0.049 0.000 0.734 400 A CB -0.429 18.578 19.000 0.011 0.000 0.774 400 A HN 0.487 nan 8.150 nan 0.000 0.481 401 K N -1.696 118.621 120.400 -0.138 0.000 2.589 401 K HA 0.183 4.503 4.320 -0.000 0.000 0.198 401 K C -0.066 176.426 176.600 -0.180 0.000 1.114 401 K CA -0.434 55.772 56.287 -0.136 0.000 1.070 401 K CB 0.699 33.154 32.500 -0.075 0.000 0.860 401 K HN 0.147 nan 8.250 nan 0.000 0.536 402 R N -0.680 119.637 120.500 -0.305 0.000 3.627 402 R HA -0.261 4.079 4.340 -0.000 0.000 0.281 402 R C 0.880 177.117 176.300 -0.104 0.000 1.140 402 R CA 0.762 56.671 56.100 -0.317 0.000 0.761 402 R CB -2.813 27.310 30.300 -0.295 0.000 1.181 402 R HN 0.448 nan 8.270 nan 0.000 0.472 403 A N 0.007 122.832 122.820 0.007 0.000 1.882 403 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 403 A C 1.601 179.133 177.584 -0.086 0.000 1.253 403 A CA 2.214 54.261 52.037 0.017 0.000 0.664 403 A CB -0.491 18.651 19.000 0.238 0.000 0.838 403 A HN 0.332 nan 8.150 nan 0.000 0.460 404 F N -2.999 117.150 119.950 0.332 0.000 2.728 404 F HA 0.214 4.741 4.527 -0.000 0.000 0.314 404 F C 1.823 177.809 175.800 0.310 0.000 1.094 404 F CA 0.056 58.291 58.000 0.390 0.000 1.217 404 F CB 0.085 39.382 39.000 0.494 0.000 1.056 404 F HN 0.038 nan 8.300 nan 0.000 0.577 405 V N 2.326 122.375 119.914 0.225 0.000 2.277 405 V HA -0.469 3.651 4.120 -0.000 0.000 0.261 405 V C 2.908 179.085 176.094 0.138 0.000 1.091 405 V CA 2.948 65.167 62.300 -0.136 0.000 1.090 405 V CB -0.626 30.953 31.823 -0.408 0.000 0.704 405 V HN 0.642 nan 8.190 nan 0.000 0.455 406 H N -2.831 116.276 119.070 0.060 0.000 2.394 406 H HA -0.292 4.264 4.556 -0.000 0.000 0.297 406 H C 2.105 177.443 175.328 0.017 0.000 1.113 406 H CA 2.209 58.230 56.048 -0.045 0.000 1.277 406 H CB -1.043 28.585 29.762 -0.225 0.000 1.370 406 H HN 0.648 nan 8.280 nan 0.000 0.506 407 W N 0.851 121.937 121.300 -0.358 0.000 2.341 407 W HA -0.163 4.497 4.660 -0.000 0.000 0.283 407 W C 1.868 178.351 176.519 -0.060 0.000 1.215 407 W CA 1.077 58.311 57.345 -0.186 0.000 1.211 407 W CB -0.344 28.964 29.460 -0.254 0.000 1.131 407 W HN 0.211 nan 8.180 nan 0.000 0.552 408 Y N -1.030 119.469 120.300 0.331 0.000 2.201 408 Y HA -0.136 4.414 4.550 -0.000 0.000 0.292 408 Y C 2.323 178.386 175.900 0.272 0.000 1.119 408 Y CA 1.062 59.383 58.100 0.367 0.000 1.127 408 Y CB -1.198 37.577 38.460 0.525 0.000 1.019 408 Y HN -0.312 nan 8.280 nan 0.000 0.514 409 V N -0.165 119.964 119.914 0.359 0.000 2.688 409 V HA -0.242 3.878 4.120 -0.000 0.000 0.256 409 V C 2.327 178.514 176.094 0.155 0.000 1.084 409 V CA 1.738 64.163 62.300 0.208 0.000 1.103 409 V CB -1.622 30.281 31.823 0.133 0.000 0.688 409 V HN 0.563 nan 8.190 nan 0.000 0.480 410 G N 0.071 108.974 108.800 0.172 0.000 2.394 410 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.214 410 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.214 410 G C 1.399 176.385 174.900 0.144 0.000 1.176 410 G CA 0.401 45.581 45.100 0.134 0.000 0.786 410 G HN 0.530 nan 8.290 nan 0.000 0.533 411 E N 0.387 120.697 120.200 0.182 0.000 2.482 411 E HA 0.132 4.482 4.350 -0.000 0.000 0.196 411 E C 1.563 178.247 176.600 0.141 0.000 1.047 411 E CA 0.699 57.201 56.400 0.171 0.000 0.869 411 E CB 0.238 30.057 29.700 0.198 0.000 0.836 411 E HN 0.507 nan 8.360 nan 0.000 0.520 412 G N 1.285 110.159 108.800 0.123 0.000 2.157 412 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.118 412 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.118 412 G C 0.092 174.966 174.900 -0.043 0.000 1.032 412 G CA 0.151 45.272 45.100 0.034 0.000 0.697 412 G HN 0.122 nan 8.290 nan 0.000 0.495 413 M N -0.290 119.359 119.600 0.082 0.000 1.960 413 M HA 0.681 5.161 4.480 -0.000 0.000 0.229 413 M C 0.478 176.846 176.300 0.112 0.000 1.234 413 M CA -0.217 55.137 55.300 0.090 0.000 0.952 413 M CB 0.750 33.581 32.600 0.385 0.000 1.294 413 M HN 0.168 nan 8.290 nan 0.000 0.514 414 E N -0.335 119.960 120.200 0.158 0.000 2.222 414 E HA 0.128 4.478 4.350 -0.000 0.000 0.267 414 E C 0.067 176.788 176.600 0.202 0.000 0.884 414 E CA -0.298 56.185 56.400 0.138 0.000 0.764 414 E CB 1.326 31.082 29.700 0.092 0.000 1.169 414 E HN 0.572 nan 8.360 nan 0.000 0.413 415 E N 2.557 122.847 120.200 0.151 0.000 2.086 415 E HA -0.243 4.107 4.350 -0.000 0.000 0.200 415 E C 1.525 178.243 176.600 0.196 0.000 1.012 415 E CA 1.653 58.144 56.400 0.152 0.000 0.812 415 E CB -0.067 29.683 29.700 0.082 0.000 0.743 415 E HN 0.805 nan 8.360 nan 0.000 0.453 416 G N 0.635 109.516 108.800 0.134 0.000 2.443 416 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 416 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 416 G C 1.371 176.314 174.900 0.072 0.000 1.131 416 G CA 0.582 45.741 45.100 0.099 0.000 0.775 416 G HN 0.273 nan 8.290 nan 0.000 0.547 417 E N -0.492 119.764 120.200 0.093 0.000 2.077 417 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 417 E C 1.999 178.538 176.600 -0.101 0.000 0.989 417 E CA 0.529 56.939 56.400 0.016 0.000 0.800 417 E CB -0.187 29.549 29.700 0.061 0.000 0.746 417 E HN 0.466 nan 8.360 nan 0.000 0.452 418 F N 0.539 120.381 119.950 -0.180 0.000 2.126 418 F HA -0.245 4.282 4.527 -0.000 0.000 0.299 418 F C 2.776 178.340 175.800 -0.393 0.000 1.096 418 F CA 1.302 59.103 58.000 -0.331 0.000 1.255 418 F CB -0.267 38.452 39.000 -0.468 0.000 0.997 418 F HN -0.003 nan 8.300 nan 0.000 0.479 419 S N -0.718 114.932 115.700 -0.083 0.000 2.348 419 S HA -0.228 4.242 4.470 -0.000 0.000 0.221 419 S C 2.047 176.546 174.600 -0.167 0.000 1.033 419 S CA 1.449 59.593 58.200 -0.092 0.000 1.010 419 S CB -0.372 62.845 63.200 0.030 0.000 0.891 419 S HN 0.465 nan 8.310 nan 0.000 0.442 420 E N 0.599 120.693 120.200 -0.178 0.000 2.481 420 E HA 0.080 4.430 4.350 -0.000 0.000 0.195 420 E C 1.595 177.871 176.600 -0.541 0.000 1.047 420 E CA 0.582 56.841 56.400 -0.236 0.000 0.867 420 E CB -0.006 29.624 29.700 -0.117 0.000 0.858 420 E HN 0.444 nan 8.360 nan 0.000 0.513 421 A N 1.236 123.660 122.820 -0.660 0.000 1.887 421 A HA -0.008 4.312 4.320 -0.000 0.000 0.212 421 A C 2.213 179.388 177.584 -0.681 0.000 1.198 421 A CA 0.877 52.300 52.037 -1.023 0.000 0.628 421 A CB -0.273 18.302 19.000 -0.708 0.000 0.847 421 A HN 0.141 nan 8.150 nan 0.000 0.449 422 R N 0.866 121.019 120.500 -0.579 0.000 2.081 422 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 422 R C 1.704 177.773 176.300 -0.386 0.000 1.131 422 R CA 1.985 57.727 56.100 -0.596 0.000 0.960 422 R CB -0.644 29.288 30.300 -0.614 0.000 0.856 422 R HN 0.604 nan 8.270 nan 0.000 0.436 423 E N -0.148 119.869 120.200 -0.306 0.000 2.333 423 E HA -0.204 4.146 4.350 -0.000 0.000 0.200 423 E C 0.823 177.304 176.600 -0.199 0.000 1.010 423 E CA 1.332 57.608 56.400 -0.206 0.000 0.841 423 E CB -0.085 29.521 29.700 -0.157 0.000 0.757 423 E HN 0.436 nan 8.360 nan 0.000 0.508 424 D N -0.520 119.723 120.400 -0.261 0.000 2.277 424 D HA 0.000 4.640 4.640 -0.000 0.000 0.209 424 D C 1.852 178.031 176.300 -0.202 0.000 0.970 424 D CA 0.430 54.327 54.000 -0.171 0.000 0.874 424 D CB 0.263 41.044 40.800 -0.032 0.000 0.982 424 D HN -0.017 nan 8.370 nan 0.000 0.504 425 M N 0.340 119.773 119.600 -0.278 0.000 2.132 425 M HA 0.000 4.480 4.480 -0.000 0.000 0.263 425 M C 2.296 178.470 176.300 -0.210 0.000 1.065 425 M CA 0.866 55.983 55.300 -0.304 0.000 1.122 425 M CB -0.986 31.407 32.600 -0.344 0.000 1.365 425 M HN 0.034 nan 8.290 nan 0.000 0.411 426 A N 0.762 123.474 122.820 -0.181 0.000 1.892 426 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 426 A C 2.479 180.005 177.584 -0.096 0.000 1.188 426 A CA 2.539 54.507 52.037 -0.115 0.000 0.631 426 A CB -1.043 17.895 19.000 -0.103 0.000 0.822 426 A HN 0.485 nan 8.150 nan 0.000 0.447 427 A N -0.577 122.176 122.820 -0.112 0.000 1.865 427 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 427 A C 2.220 179.742 177.584 -0.103 0.000 1.191 427 A CA 1.811 53.789 52.037 -0.097 0.000 0.623 427 A CB -0.817 18.124 19.000 -0.099 0.000 0.826 427 A HN 0.733 nan 8.150 nan 0.000 0.444 428 L N -0.077 121.061 121.223 -0.141 0.000 1.971 428 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 428 L C 2.436 179.295 176.870 -0.020 0.000 1.072 428 L CA 2.545 57.296 54.840 -0.147 0.000 0.758 428 L CB -0.563 41.325 42.059 -0.284 0.000 0.889 428 L HN 0.524 nan 8.230 nan 0.000 0.433 429 E N -0.581 119.609 120.200 -0.017 0.000 2.147 429 E HA -0.282 4.068 4.350 -0.000 0.000 0.199 429 E C 2.186 178.829 176.600 0.072 0.000 1.005 429 E CA 1.345 57.785 56.400 0.067 0.000 0.810 429 E CB -0.127 29.587 29.700 0.023 0.000 0.736 429 E HN 0.410 nan 8.360 nan 0.000 0.460 430 K N 0.721 121.128 120.400 0.012 0.000 2.031 430 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 430 K C 1.788 178.381 176.600 -0.011 0.000 1.049 430 K CA 0.788 57.075 56.287 0.000 0.000 0.939 430 K CB -0.221 32.264 32.500 -0.024 0.000 0.717 430 K HN 0.107 nan 8.250 nan 0.000 0.438 431 D N 0.022 120.389 120.400 -0.054 0.000 2.127 431 D HA -0.221 4.419 4.640 -0.000 0.000 0.190 431 D C 2.003 178.241 176.300 -0.103 0.000 1.000 431 D CA 1.522 55.444 54.000 -0.129 0.000 0.839 431 D CB -0.354 40.319 40.800 -0.210 0.000 0.955 431 D HN 0.185 nan 8.370 nan 0.000 0.446 432 Y N 1.277 121.548 120.300 -0.048 0.000 2.009 432 Y HA -0.199 4.351 4.550 -0.000 0.000 0.260 432 Y C 2.624 178.521 175.900 -0.006 0.000 1.118 432 Y CA 1.634 59.731 58.100 -0.005 0.000 1.087 432 Y CB -0.278 38.204 38.460 0.035 0.000 0.970 432 Y HN -0.038 nan 8.280 nan 0.000 0.481 433 E N 0.594 120.918 120.200 0.207 0.000 2.339 433 E HA -0.258 4.092 4.350 -0.000 0.000 0.201 433 E C 1.369 178.001 176.600 0.054 0.000 1.015 433 E CA 1.020 57.477 56.400 0.095 0.000 0.841 433 E CB -0.135 29.604 29.700 0.064 0.000 0.754 433 E HN 0.561 nan 8.360 nan 0.000 0.508 434 E N -0.139 120.084 120.200 0.038 0.000 2.512 434 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 434 E C 1.257 177.872 176.600 0.026 0.000 1.083 434 E CA -0.033 56.374 56.400 0.012 0.000 0.873 434 E CB 0.495 30.180 29.700 -0.024 0.000 0.897 434 E HN 0.126 nan 8.360 nan 0.000 0.514 435 V N -0.051 119.898 119.914 0.059 0.000 3.590 435 V HA 0.059 4.179 4.120 -0.000 0.000 0.265 435 V C 1.351 177.517 176.094 0.119 0.000 1.239 435 V CA 0.543 62.925 62.300 0.138 0.000 1.117 435 V CB 0.333 32.258 31.823 0.170 0.000 0.818 435 V HN 0.172 nan 8.190 nan 0.000 0.451 436 G N -0.187 108.646 108.800 0.055 0.000 0.000 436 G HA2 0.443 4.403 3.960 -0.000 0.000 0.000 436 G HA3 0.443 4.403 3.960 -0.000 0.000 0.000 436 G C -0.358 174.556 174.900 0.023 0.000 0.000 436 G CA 0.908 46.014 45.100 0.010 0.000 0.000 436 G HN 0.974 nan 8.290 nan 0.000 0.000 437 V N 0.000 nan 119.914 nan 0.000 2.409 437 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 437 V CA 0.000 62.278 62.300 -0.036 0.000 1.235 437 V CB 0.000 31.781 31.823 -0.071 0.000 1.184 437 V HN 0.000 nan 8.190 nan 0.000 0.556