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 2woi_1_A DATA FIRST_RESID -1 DATA SEQUENCE SHMSKAFDLV VIGAGSGGLE AGWNAATLYG KRVAVVDVQT SHGPPFYAAL DATA SEQUENCE GGTcVNVGcV PKKLMVTGAQ YMDHLRESAG FGWEFDGSSV KANWKKLIAA DATA SEQUENCE KNEAVLDINK SYEGMFNDTE GLDFFLGWGS LESKNVVVVR ETADPKSAVK DATA SEQUENCE ERLQADHILL ATGSWPQMPA IPGIEHCISS NEAFYLPEPP RRVLTVGGGF DATA SEQUENCE ISVEFAGIFN AYKPPGGKVT LCYRNNLILR GFDETIREEV TKQLTANGIE DATA SEQUENCE IMTNENPAKV SLNTDGSKHV TFESGKTLDV DVVMMAIGRI PRTNDLQLGN DATA SEQUENCE VGVKLTPKGG VQVDEFSRTN VPNIYAIGDI TDRLMLTPVA INEGAALVDT DATA SEQUENCE VFGNKPRKTD HTRVASAVFS IPPIGTCGLI EEVAAKEFEK VAVYMSSFTP DATA SEQUENCE LMHNISGSKY KKFVAKIVTN HSDGTVLGVH LLGDGAPEII QAVGVCLRLN DATA SEQUENCE AKISDFYNTI GVHPTSAEEL CSMRTPSYYY VKGEKMEKLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.337 174.600 -0.439 0.000 1.055 -1 S CA 0.000 58.019 58.200 -0.301 0.000 1.107 -1 S CB 0.000 63.148 63.200 -0.087 0.000 0.593 0 H N 0.991 120.076 119.070 0.024 0.000 2.486 0 H HA 0.417 4.972 4.556 -0.001 0.000 0.284 0 H C -0.244 175.093 175.328 0.015 0.000 1.103 0 H CA -0.040 56.020 56.048 0.021 0.000 1.089 0 H CB 0.066 29.837 29.762 0.016 0.000 1.603 0 H HN 0.393 nan 8.280 nan 0.000 0.557 1 M N 1.089 120.725 119.600 0.060 0.000 2.472 1 M HA 0.235 4.715 4.480 -0.001 0.000 0.331 1 M C 0.862 177.173 176.300 0.019 0.000 1.170 1 M CA -0.681 54.641 55.300 0.036 0.000 1.009 1 M CB 2.074 34.684 32.600 0.018 0.000 1.672 1 M HN 0.034 nan 8.290 nan 0.000 0.453 2 S N 2.165 117.868 115.700 0.006 0.000 2.596 2 S HA 0.358 4.828 4.470 -0.001 0.000 0.260 2 S C -0.307 174.276 174.600 -0.029 0.000 1.336 2 S CA -0.431 57.764 58.200 -0.009 0.000 0.993 2 S CB 0.769 63.959 63.200 -0.016 0.000 0.923 2 S HN 0.575 nan 8.310 nan 0.000 0.567 3 K N 0.458 120.836 120.400 -0.037 0.000 2.267 3 K HA 0.758 5.077 4.320 -0.001 0.000 0.246 3 K C -0.596 175.820 176.600 -0.308 0.000 0.954 3 K CA -0.743 55.463 56.287 -0.135 0.000 0.824 3 K CB 1.913 34.426 32.500 0.022 0.000 1.167 3 K HN 0.798 nan 8.250 nan 0.000 0.431 4 A N 2.076 124.528 122.820 -0.613 0.000 2.337 4 A HA 0.861 5.180 4.320 -0.001 0.000 0.329 4 A C -1.232 175.729 177.584 -1.037 0.000 1.146 4 A CA -0.582 51.127 52.037 -0.547 0.000 0.800 4 A CB 0.446 19.286 19.000 -0.266 0.000 1.220 4 A HN 0.540 nan 8.150 nan 0.000 0.472 5 F N -0.064 119.902 119.950 0.026 0.000 2.613 5 F HA 0.345 4.871 4.527 -0.001 0.000 0.310 5 F C 0.729 176.582 175.800 0.089 0.000 1.085 5 F CA -0.766 57.267 58.000 0.056 0.000 0.945 5 F CB 1.817 40.854 39.000 0.062 0.000 1.298 5 F HN 0.622 nan 8.300 nan 0.000 0.455 6 D N 0.549 121.115 120.400 0.277 0.000 2.117 6 D HA -0.056 4.584 4.640 -0.001 0.000 0.198 6 D C 0.087 176.662 176.300 0.459 0.000 0.982 6 D CA 1.725 55.921 54.000 0.326 0.000 0.828 6 D CB 0.392 41.296 40.800 0.174 0.000 0.967 6 D HN 0.158 nan 8.370 nan 0.000 0.464 7 L N 0.525 121.968 121.223 0.367 0.000 2.436 7 L HA 0.356 4.695 4.340 -0.001 0.000 0.268 7 L C -1.342 175.654 176.870 0.210 0.000 0.974 7 L CA -0.671 54.386 54.840 0.362 0.000 0.826 7 L CB 2.470 44.728 42.059 0.332 0.000 1.291 7 L HN -0.355 nan 8.230 nan 0.000 0.406 8 V N 5.364 125.374 119.914 0.160 0.000 2.495 8 V HA 0.603 4.723 4.120 -0.001 0.000 0.298 8 V C -0.593 175.534 176.094 0.056 0.000 1.031 8 V CA -0.671 61.629 62.300 0.000 0.000 0.871 8 V CB 2.024 33.820 31.823 -0.045 0.000 0.988 8 V HN 0.531 nan 8.190 nan 0.000 0.432 9 V N 6.189 126.121 119.914 0.030 0.000 2.384 9 V HA 0.478 4.598 4.120 -0.001 0.000 0.287 9 V C -0.092 176.015 176.094 0.023 0.000 1.020 9 V CA -0.430 61.913 62.300 0.071 0.000 0.850 9 V CB 1.711 33.596 31.823 0.102 0.000 0.987 9 V HN 0.665 nan 8.190 nan 0.000 0.436 10 I N 4.618 125.203 120.570 0.025 0.000 2.297 10 I HA 0.655 4.824 4.170 -0.001 0.000 0.291 10 I C 0.776 176.897 176.117 0.007 0.000 1.033 10 I CA -0.001 61.294 61.300 -0.009 0.000 1.253 10 I CB 1.039 39.033 38.000 -0.009 0.000 1.396 10 I HN 0.879 nan 8.210 nan 0.000 0.476 11 G N 4.622 113.417 108.800 -0.009 0.000 2.992 11 G HA2 0.082 4.042 3.960 -0.001 0.000 0.677 11 G HA3 0.082 4.042 3.960 -0.001 0.000 0.677 11 G C -0.193 174.738 174.900 0.052 0.000 1.191 11 G CA -0.400 44.708 45.100 0.014 0.000 1.178 11 G HN 0.906 nan 8.290 nan 0.000 0.506 12 A N 1.449 124.311 122.820 0.069 0.000 3.197 12 A HA 0.740 5.060 4.320 -0.001 0.000 0.263 12 A C 1.398 178.983 177.584 0.002 0.000 1.524 12 A CA 1.243 53.334 52.037 0.089 0.000 1.176 12 A CB -0.295 18.826 19.000 0.201 0.000 1.096 12 A HN 1.908 nan 8.150 nan 0.000 0.655 13 G N -0.773 108.036 108.800 0.017 0.000 2.940 13 G HA2 0.381 4.340 3.960 -0.001 0.000 0.164 13 G HA3 0.381 4.340 3.960 -0.001 0.000 0.164 13 G C 1.116 176.015 174.900 -0.001 0.000 1.326 13 G CA 0.585 45.686 45.100 0.002 0.000 1.020 13 G HN 0.252 nan 8.290 nan 0.000 0.586 14 S N -0.052 115.667 115.700 0.032 0.000 2.351 14 S HA -0.112 4.357 4.470 -0.001 0.000 0.220 14 S C 2.460 177.089 174.600 0.048 0.000 1.035 14 S CA 1.842 60.065 58.200 0.039 0.000 1.031 14 S CB -0.850 62.385 63.200 0.058 0.000 0.928 14 S HN 0.751 nan 8.310 nan 0.000 0.433 15 G N 0.937 109.776 108.800 0.064 0.000 2.421 15 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.216 15 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.216 15 G C 1.455 176.406 174.900 0.085 0.000 1.171 15 G CA 0.962 46.108 45.100 0.076 0.000 0.775 15 G HN 0.571 nan 8.290 nan 0.000 0.543 16 G N 0.693 109.542 108.800 0.082 0.000 2.408 16 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.217 16 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.217 16 G C 1.812 176.779 174.900 0.112 0.000 1.150 16 G CA 0.628 45.788 45.100 0.100 0.000 0.776 16 G HN 0.410 nan 8.290 nan 0.000 0.542 17 L N 0.007 121.274 121.223 0.072 0.000 2.093 17 L HA -0.016 4.323 4.340 -0.001 0.000 0.208 17 L C 2.752 179.693 176.870 0.118 0.000 1.085 17 L CA 1.347 56.223 54.840 0.062 0.000 0.755 17 L CB -0.242 41.757 42.059 -0.100 0.000 0.904 17 L HN 0.262 nan 8.230 nan 0.000 0.435 18 E N 0.643 120.905 120.200 0.104 0.000 2.028 18 E HA -0.200 4.150 4.350 -0.001 0.000 0.191 18 E C 2.155 178.872 176.600 0.194 0.000 0.988 18 E CA 1.571 58.057 56.400 0.143 0.000 0.799 18 E CB -0.135 29.627 29.700 0.103 0.000 0.755 18 E HN 0.332 nan 8.360 nan 0.000 0.447 19 A N 0.315 123.230 122.820 0.159 0.000 1.883 19 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 19 A C 2.494 180.184 177.584 0.177 0.000 1.186 19 A CA 2.113 54.249 52.037 0.166 0.000 0.624 19 A CB -1.514 17.576 19.000 0.150 0.000 0.822 19 A HN 0.439 nan 8.150 nan 0.000 0.444 20 G N -1.526 107.384 108.800 0.183 0.000 2.404 20 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.215 20 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.215 20 G C 1.540 176.540 174.900 0.167 0.000 1.174 20 G CA 0.919 46.124 45.100 0.175 0.000 0.780 20 G HN 0.703 nan 8.290 nan 0.000 0.537 21 W N 1.738 123.046 121.300 0.014 0.000 2.338 21 W HA -0.138 4.521 4.660 -0.001 0.000 0.304 21 W C 1.897 178.408 176.519 -0.014 0.000 1.212 21 W CA 1.491 58.822 57.345 -0.024 0.000 1.264 21 W CB -0.235 29.199 29.460 -0.043 0.000 1.142 21 W HN 0.175 nan 8.180 nan 0.000 0.512 22 N N 0.869 119.618 118.700 0.081 0.000 2.171 22 N HA -0.101 4.639 4.740 -0.001 0.000 0.184 22 N C 2.016 177.489 175.510 -0.060 0.000 1.021 22 N CA 2.355 55.389 53.050 -0.027 0.000 0.854 22 N CB -1.106 37.467 38.487 0.144 0.000 0.994 22 N HN 0.167 nan 8.380 nan 0.000 0.426 23 A N 0.749 123.587 122.820 0.031 0.000 1.908 23 A HA -0.036 4.283 4.320 -0.001 0.000 0.218 23 A C 2.291 179.778 177.584 -0.162 0.000 1.181 23 A CA 2.046 54.060 52.037 -0.039 0.000 0.627 23 A CB -0.967 17.948 19.000 -0.141 0.000 0.818 23 A HN 0.321 nan 8.150 nan 0.000 0.445 24 A N -0.564 122.144 122.820 -0.187 0.000 1.855 24 A HA -0.072 4.247 4.320 -0.001 0.000 0.215 24 A C 2.469 179.854 177.584 -0.331 0.000 1.191 24 A CA 2.643 54.547 52.037 -0.222 0.000 0.613 24 A CB -1.247 17.636 19.000 -0.195 0.000 0.829 24 A HN 0.758 nan 8.150 nan 0.000 0.442 25 T N -2.484 111.741 114.554 -0.549 0.000 3.009 25 T HA 0.187 4.536 4.350 -0.001 0.000 0.258 25 T C 1.794 176.219 174.700 -0.458 0.000 1.063 25 T CA 1.030 62.754 62.100 -0.625 0.000 1.139 25 T CB -0.284 67.897 68.868 -1.145 0.000 0.890 25 T HN 0.236 nan 8.240 nan 0.000 0.471 26 L N -1.421 119.511 121.223 -0.485 0.000 2.168 26 L HA 0.240 4.580 4.340 -0.001 0.000 0.203 26 L C 1.600 178.066 176.870 -0.674 0.000 1.078 26 L CA 0.938 55.411 54.840 -0.612 0.000 0.780 26 L CB -0.155 41.394 42.059 -0.850 0.000 0.939 26 L HN 0.219 nan 8.230 nan 0.000 0.451 27 Y N -0.630 119.587 120.300 -0.138 0.000 2.557 27 Y HA 0.375 4.925 4.550 -0.001 0.000 0.247 27 Y C 1.494 177.311 175.900 -0.138 0.000 1.164 27 Y CA -0.129 57.906 58.100 -0.108 0.000 1.218 27 Y CB 0.387 38.800 38.460 -0.078 0.000 1.210 27 Y HN 0.171 nan 8.280 nan 0.000 0.529 28 G N 0.823 109.580 108.800 -0.072 0.000 2.198 28 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.260 28 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.260 28 G C 0.211 175.060 174.900 -0.084 0.000 1.025 28 G CA -0.051 45.003 45.100 -0.076 0.000 0.769 28 G HN 0.055 nan 8.290 nan 0.000 0.507 29 K N -0.363 119.943 120.400 -0.156 0.000 2.138 29 K HA 0.446 4.765 4.320 -0.001 0.000 0.251 29 K C 0.806 177.359 176.600 -0.079 0.000 1.015 29 K CA -0.524 55.640 56.287 -0.205 0.000 0.917 29 K CB 0.656 32.823 32.500 -0.554 0.000 1.021 29 K HN 0.331 nan 8.250 nan 0.000 0.485 30 R N 0.610 121.111 120.500 0.002 0.000 2.255 30 R HA 0.383 4.723 4.340 -0.001 0.000 0.326 30 R C -0.768 175.698 176.300 0.277 0.000 0.986 30 R CA -0.503 55.684 56.100 0.145 0.000 0.847 30 R CB 1.025 31.401 30.300 0.125 0.000 1.111 30 R HN 0.201 nan 8.270 nan 0.000 0.452 31 V N 2.181 122.274 119.914 0.298 0.000 2.735 31 V HA 0.664 4.783 4.120 -0.001 0.000 0.310 31 V C -0.477 175.636 176.094 0.031 0.000 1.061 31 V CA -0.897 61.511 62.300 0.180 0.000 0.913 31 V CB 1.951 33.839 31.823 0.108 0.000 1.005 31 V HN 0.876 nan 8.190 nan 0.000 0.428 32 A N 3.763 126.362 122.820 -0.369 0.000 2.350 32 A HA 0.919 5.239 4.320 -0.001 0.000 0.324 32 A C -1.009 176.489 177.584 -0.143 0.000 1.118 32 A CA -0.582 51.157 52.037 -0.497 0.000 0.783 32 A CB 1.731 19.930 19.000 -1.336 0.000 1.236 32 A HN 0.694 nan 8.150 nan 0.000 0.457 33 V N 2.346 122.262 119.914 0.004 0.000 2.540 33 V HA 0.516 4.636 4.120 -0.001 0.000 0.302 33 V C -0.436 175.589 176.094 -0.115 0.000 1.035 33 V CA -0.531 61.795 62.300 0.044 0.000 0.873 33 V CB 1.648 33.633 31.823 0.269 0.000 0.992 33 V HN 0.676 nan 8.190 nan 0.000 0.428 34 V N 3.591 123.420 119.914 -0.141 0.000 2.459 34 V HA 0.647 4.766 4.120 -0.001 0.000 0.295 34 V C -0.479 175.496 176.094 -0.200 0.000 1.029 34 V CA -0.346 61.782 62.300 -0.288 0.000 0.874 34 V CB 1.793 33.487 31.823 -0.214 0.000 0.985 34 V HN 0.939 nan 8.190 nan 0.000 0.438 35 D N 1.412 121.652 120.400 -0.267 0.000 2.579 35 D HA 0.355 4.995 4.640 -0.001 0.000 0.257 35 D C 0.495 176.674 176.300 -0.202 0.000 1.176 35 D CA -0.277 53.668 54.000 -0.093 0.000 0.914 35 D CB 2.954 43.872 40.800 0.196 0.000 1.431 35 D HN 0.381 nan 8.370 nan 0.000 0.454 36 V N -0.834 118.875 119.914 -0.341 0.000 3.235 36 V HA 0.279 4.398 4.120 -0.001 0.000 0.259 36 V C 0.478 176.522 176.094 -0.084 0.000 1.133 36 V CA 0.914 62.892 62.300 -0.538 0.000 1.128 36 V CB 0.020 31.074 31.823 -1.281 0.000 0.757 36 V HN 0.448 nan 8.190 nan 0.000 0.469 37 Q N -0.390 119.446 119.800 0.060 0.000 2.391 37 Q HA 0.365 4.704 4.340 -0.001 0.000 0.279 37 Q C 0.612 176.682 176.000 0.117 0.000 1.028 37 Q CA 0.377 56.259 55.803 0.131 0.000 0.836 37 Q CB 2.277 31.107 28.738 0.154 0.000 1.414 37 Q HN 0.419 nan 8.270 nan 0.000 0.397 38 T N -1.919 112.679 114.554 0.074 0.000 3.035 38 T HA 0.134 4.483 4.350 -0.001 0.000 0.259 38 T C 0.738 175.429 174.700 -0.014 0.000 1.078 38 T CA 0.886 62.970 62.100 -0.026 0.000 1.132 38 T CB 0.072 68.915 68.868 -0.041 0.000 0.900 38 T HN 0.455 nan 8.240 nan 0.000 0.480 39 S N 0.728 116.431 115.700 0.004 0.000 2.661 39 S HA 0.538 5.007 4.470 -0.001 0.000 0.285 39 S C -0.413 174.187 174.600 0.000 0.000 1.138 39 S CA -1.048 57.166 58.200 0.023 0.000 0.855 39 S CB 1.006 64.201 63.200 -0.008 0.000 1.136 39 S HN 0.739 nan 8.310 nan 0.000 0.484 40 H N -0.352 118.745 119.070 0.045 0.000 2.822 40 H HA 0.643 5.199 4.556 -0.001 0.000 0.373 40 H C 0.778 176.104 175.328 -0.003 0.000 1.223 40 H CA 0.279 56.373 56.048 0.075 0.000 1.436 40 H CB -0.267 29.582 29.762 0.144 0.000 1.439 40 H HN 1.592 nan 8.280 nan 0.000 0.618 41 G N 0.149 108.909 108.800 -0.067 0.000 2.525 41 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.685 41 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.685 41 G C -3.042 171.352 174.900 -0.843 0.000 1.290 41 G CA -0.817 43.930 45.100 -0.589 0.000 0.915 41 G HN 0.771 nan 8.290 nan 0.000 0.548 42 P HA 0.199 nan 4.420 nan 0.000 0.268 42 P C -1.644 175.262 177.300 -0.656 0.000 1.208 42 P CA -0.658 61.794 63.100 -1.080 0.000 0.777 42 P CB 0.426 31.730 31.700 -0.658 0.000 0.875 43 P HA 0.111 nan 4.420 nan 0.000 0.245 43 P C 0.382 177.429 177.300 -0.422 0.000 1.203 43 P CA 0.887 63.601 63.100 -0.643 0.000 0.792 43 P CB 0.185 31.441 31.700 -0.740 0.000 0.997 44 F N -2.574 117.318 119.950 -0.097 0.000 2.704 44 F HA 0.244 4.771 4.527 -0.001 0.000 0.304 44 F C 1.188 177.236 175.800 0.414 0.000 1.094 44 F CA -0.613 57.530 58.000 0.239 0.000 1.275 44 F CB -0.474 38.636 39.000 0.183 0.000 1.073 44 F HN -0.266 nan 8.300 nan 0.000 0.586 45 Y N -1.230 119.264 120.300 0.323 0.000 2.739 45 Y HA -0.385 4.165 4.550 -0.001 0.000 0.479 45 Y C 1.574 177.634 175.900 0.266 0.000 1.139 45 Y CA 0.135 58.396 58.100 0.269 0.000 2.846 45 Y CB -1.939 36.692 38.460 0.285 0.000 1.043 45 Y HN 0.004 nan 8.280 nan 0.000 0.581 46 A N 1.770 124.876 122.820 0.476 0.000 2.366 46 A HA 0.751 5.071 4.320 -0.001 0.000 0.249 46 A C 0.494 178.210 177.584 0.221 0.000 1.084 46 A CA 0.725 52.950 52.037 0.312 0.000 0.794 46 A CB 0.421 19.618 19.000 0.328 0.000 1.034 46 A HN 1.455 nan 8.150 nan 0.000 0.491 47 A N 0.098 123.007 122.820 0.149 0.000 2.506 47 A HA 0.574 4.893 4.320 -0.001 0.000 0.305 47 A C -0.738 176.886 177.584 0.066 0.000 1.166 47 A CA -0.580 51.520 52.037 0.105 0.000 0.638 47 A CB -0.174 18.893 19.000 0.110 0.000 1.336 47 A HN 1.964 nan 8.150 nan 0.000 0.493 48 L N 1.062 122.302 121.223 0.028 0.000 2.640 48 L HA 0.396 4.736 4.340 -0.001 0.000 0.280 48 L C 1.300 178.135 176.870 -0.057 0.000 1.229 48 L CA 2.789 57.594 54.840 -0.059 0.000 0.919 48 L CB -0.153 41.771 42.059 -0.224 0.000 1.168 48 L HN 2.222 nan 8.230 nan 0.000 0.496 49 G N 1.935 110.601 108.800 -0.224 0.000 2.232 49 G HA2 0.138 4.097 3.960 -0.001 0.000 0.226 49 G HA3 0.138 4.097 3.960 -0.001 0.000 0.226 49 G C 1.135 176.020 174.900 -0.024 0.000 0.996 49 G CA 0.117 45.091 45.100 -0.209 0.000 0.626 49 G HN 2.193 nan 8.290 nan 0.000 0.509 50 G N -1.757 107.056 108.800 0.021 0.000 2.685 50 G HA2 0.182 4.142 3.960 -0.001 0.000 0.387 50 G HA3 0.182 4.142 3.960 -0.001 0.000 0.387 50 G C 0.661 175.619 174.900 0.098 0.000 1.324 50 G CA 0.639 45.776 45.100 0.063 0.000 0.878 50 G HN 1.193 nan 8.290 nan 0.000 0.527 51 T N -0.444 114.181 114.554 0.119 0.000 2.777 51 T HA -0.173 4.176 4.350 -0.001 0.000 0.266 51 T C 2.529 177.277 174.700 0.080 0.000 1.040 51 T CA 2.491 64.667 62.100 0.126 0.000 1.141 51 T CB -0.593 68.370 68.868 0.160 0.000 0.868 51 T HN 1.068 nan 8.240 nan 0.000 0.444 52 c N 1.227 119.877 118.600 0.083 0.000 2.359 52 c HA -0.133 4.436 4.570 -0.001 0.000 0.277 52 c C 2.757 176.857 174.090 0.017 0.000 1.192 52 c CA 1.081 57.447 56.329 0.062 0.000 1.759 52 c CB -1.231 41.320 42.510 0.068 0.000 2.038 52 c HN 0.390 nan 8.230 nan 0.000 0.448 53 V N 1.662 121.599 119.914 0.038 0.000 2.343 53 V HA -0.184 3.935 4.120 -0.001 0.000 0.247 53 V C 2.287 178.358 176.094 -0.040 0.000 1.051 53 V CA 2.472 64.787 62.300 0.024 0.000 1.036 53 V CB -0.684 31.211 31.823 0.120 0.000 0.654 53 V HN 0.600 nan 8.190 nan 0.000 0.451 54 N N -0.054 118.639 118.700 -0.011 0.000 2.387 54 N HA 0.022 4.762 4.740 -0.001 0.000 0.176 54 N C 0.813 176.214 175.510 -0.182 0.000 1.022 54 N CA 1.597 54.641 53.050 -0.010 0.000 0.883 54 N CB 1.110 39.680 38.487 0.139 0.000 1.019 54 N HN 0.535 nan 8.380 nan 0.000 0.435 55 V N -3.007 116.765 119.914 -0.237 0.000 3.301 55 V HA 0.695 4.814 4.120 -0.001 0.000 0.477 55 V C 0.112 176.051 176.094 -0.259 0.000 1.564 55 V CA -0.436 61.530 62.300 -0.557 0.000 1.946 55 V CB 0.577 32.395 31.823 -0.008 0.000 1.281 55 V HN 0.168 nan 8.190 nan 0.000 0.655 56 G N -0.172 108.501 108.800 -0.212 0.000 3.111 56 G HA2 0.303 4.262 3.960 -0.001 0.000 0.158 56 G HA3 0.303 4.262 3.960 -0.001 0.000 0.158 56 G C 0.865 175.811 174.900 0.075 0.000 1.161 56 G CA 0.626 45.780 45.100 0.091 0.000 1.025 56 G HN 0.426 nan 8.290 nan 0.000 0.619 57 c N 0.047 118.703 118.600 0.093 0.000 2.318 57 c HA -0.108 4.462 4.570 -0.001 0.000 0.272 57 c C 2.767 176.829 174.090 -0.046 0.000 1.156 57 c CA 1.218 57.579 56.329 0.053 0.000 1.783 57 c CB -1.672 40.869 42.510 0.052 0.000 2.023 57 c HN 0.301 nan 8.230 nan 0.000 0.437 58 V N 3.172 123.043 119.914 -0.072 0.000 2.223 58 V HA -0.141 3.979 4.120 -0.001 0.000 0.244 58 V C 0.410 176.415 176.094 -0.149 0.000 1.045 58 V CA 2.816 65.047 62.300 -0.115 0.000 1.000 58 V CB -2.009 29.754 31.823 -0.100 0.000 0.635 58 V HN 0.419 nan 8.190 nan 0.000 0.445 59 P HA -0.184 nan 4.420 nan 0.000 0.218 59 P C 1.379 178.660 177.300 -0.031 0.000 1.149 59 P CA 1.728 64.715 63.100 -0.188 0.000 0.817 59 P CB -0.083 31.374 31.700 -0.405 0.000 0.785 60 K N 1.085 121.526 120.400 0.069 0.000 2.147 60 K HA -0.161 4.159 4.320 -0.001 0.000 0.205 60 K C 2.150 178.652 176.600 -0.164 0.000 1.049 60 K CA 1.641 57.935 56.287 0.011 0.000 0.936 60 K CB -0.828 31.693 32.500 0.035 0.000 0.722 60 K HN -0.072 nan 8.250 nan 0.000 0.446 61 K N 1.164 121.438 120.400 -0.211 0.000 2.097 61 K HA 0.060 4.380 4.320 -0.001 0.000 0.205 61 K C 1.868 178.324 176.600 -0.240 0.000 1.050 61 K CA 1.249 57.327 56.287 -0.349 0.000 0.938 61 K CB -0.302 31.927 32.500 -0.453 0.000 0.718 61 K HN 0.286 nan 8.250 nan 0.000 0.442 62 L N -0.082 121.033 121.223 -0.180 0.000 2.083 62 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 62 L C 2.485 179.280 176.870 -0.126 0.000 1.083 62 L CA 1.467 56.225 54.840 -0.137 0.000 0.752 62 L CB -0.348 41.628 42.059 -0.138 0.000 0.899 62 L HN 0.264 nan 8.230 nan 0.000 0.433 63 M N -1.315 118.186 119.600 -0.165 0.000 2.254 63 M HA -0.129 4.351 4.480 -0.001 0.000 0.265 63 M C 2.174 178.400 176.300 -0.124 0.000 1.066 63 M CA 1.005 56.186 55.300 -0.198 0.000 1.123 63 M CB -0.119 32.304 32.600 -0.295 0.000 1.388 63 M HN 0.025 nan 8.290 nan 0.000 0.425 64 V N -0.186 119.640 119.914 -0.148 0.000 2.548 64 V HA -0.198 3.922 4.120 -0.001 0.000 0.249 64 V C 2.220 178.281 176.094 -0.055 0.000 1.055 64 V CA 1.965 64.209 62.300 -0.092 0.000 1.065 64 V CB -0.902 30.870 31.823 -0.085 0.000 0.681 64 V HN 0.483 nan 8.190 nan 0.000 0.462 65 T N 0.397 114.904 114.554 -0.078 0.000 2.777 65 T HA -0.096 4.253 4.350 -0.001 0.000 0.266 65 T C 1.959 176.646 174.700 -0.021 0.000 1.040 65 T CA 1.505 63.555 62.100 -0.084 0.000 1.141 65 T CB -0.580 68.250 68.868 -0.063 0.000 0.868 65 T HN 0.603 nan 8.240 nan 0.000 0.444 66 G N 1.211 110.099 108.800 0.146 0.000 2.440 66 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.218 66 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.218 66 G C 1.816 176.974 174.900 0.429 0.000 1.154 66 G CA 0.872 46.220 45.100 0.413 0.000 0.767 66 G HN 0.579 nan 8.290 nan 0.000 0.552 67 A N 0.230 123.259 122.820 0.350 0.000 2.019 67 A HA -0.048 4.272 4.320 -0.001 0.000 0.219 67 A C 2.287 179.878 177.584 0.012 0.000 1.164 67 A CA 1.779 53.950 52.037 0.223 0.000 0.644 67 A CB -0.330 18.782 19.000 0.187 0.000 0.805 67 A HN 0.478 nan 8.150 nan 0.000 0.449 68 Q N -1.750 117.990 119.800 -0.101 0.000 2.291 68 Q HA -0.158 4.182 4.340 -0.001 0.000 0.205 68 Q C 1.460 177.243 176.000 -0.361 0.000 0.970 68 Q CA 1.258 56.890 55.803 -0.285 0.000 0.876 68 Q CB -0.269 28.242 28.738 -0.379 0.000 0.935 68 Q HN 0.839 nan 8.270 nan 0.000 0.455 69 Y N 0.186 120.483 120.300 -0.005 0.000 2.333 69 Y HA -0.202 4.347 4.550 -0.001 0.000 0.290 69 Y C 2.151 178.043 175.900 -0.012 0.000 1.144 69 Y CA 1.013 59.143 58.100 0.050 0.000 1.228 69 Y CB -0.296 38.183 38.460 0.032 0.000 0.985 69 Y HN 0.183 nan 8.280 nan 0.000 0.542 70 M N -0.066 119.568 119.600 0.057 0.000 2.108 70 M HA -0.257 4.222 4.480 -0.001 0.000 0.261 70 M C 1.148 177.475 176.300 0.044 0.000 1.066 70 M CA 2.146 57.464 55.300 0.028 0.000 1.107 70 M CB -0.052 32.535 32.600 -0.022 0.000 1.356 70 M HN 0.097 nan 8.290 nan 0.000 0.406 71 D N -0.675 119.706 120.400 -0.033 0.000 2.103 71 D HA -0.142 4.497 4.640 -0.001 0.000 0.199 71 D C 1.939 178.261 176.300 0.037 0.000 0.978 71 D CA 1.174 55.159 54.000 -0.025 0.000 0.829 71 D CB -0.505 40.223 40.800 -0.120 0.000 0.981 71 D HN 0.439 nan 8.370 nan 0.000 0.464 72 H N 0.497 119.606 119.070 0.065 0.000 2.290 72 H HA -0.063 4.492 4.556 -0.001 0.000 0.298 72 H C 2.412 177.809 175.328 0.115 0.000 1.087 72 H CA 0.772 56.860 56.048 0.066 0.000 1.291 72 H CB -0.736 29.050 29.762 0.041 0.000 1.369 72 H HN 0.160 nan 8.280 nan 0.000 0.492 73 L N 0.157 121.539 121.223 0.264 0.000 1.990 73 L HA -0.246 4.093 4.340 -0.001 0.000 0.213 73 L C 2.867 179.977 176.870 0.401 0.000 1.072 73 L CA 1.812 56.825 54.840 0.289 0.000 0.755 73 L CB -0.435 41.787 42.059 0.272 0.000 0.889 73 L HN 0.183 nan 8.230 nan 0.000 0.432 74 R N 0.388 121.056 120.500 0.280 0.000 2.081 74 R HA -0.175 4.165 4.340 -0.001 0.000 0.235 74 R C 2.065 178.513 176.300 0.246 0.000 1.131 74 R CA 1.644 57.881 56.100 0.229 0.000 0.960 74 R CB -0.071 30.326 30.300 0.162 0.000 0.856 74 R HN 0.393 nan 8.270 nan 0.000 0.436 75 E N -0.043 120.315 120.200 0.264 0.000 2.285 75 E HA -0.091 4.258 4.350 -0.001 0.000 0.194 75 E C 1.817 178.669 176.600 0.421 0.000 0.997 75 E CA 0.999 57.586 56.400 0.312 0.000 0.845 75 E CB 0.223 30.112 29.700 0.316 0.000 0.782 75 E HN 0.469 nan 8.360 nan 0.000 0.491 76 S N 0.732 116.663 115.700 0.386 0.000 2.442 76 S HA -0.121 4.348 4.470 -0.001 0.000 0.236 76 S C 2.144 177.103 174.600 0.598 0.000 1.007 76 S CA 0.814 59.289 58.200 0.459 0.000 0.965 76 S CB -0.077 63.300 63.200 0.295 0.000 0.773 76 S HN 0.265 nan 8.310 nan 0.000 0.504 77 A N 1.834 124.907 122.820 0.421 0.000 1.930 77 A HA 0.268 4.588 4.320 -0.001 0.000 0.217 77 A C 2.361 180.074 177.584 0.214 0.000 1.175 77 A CA 1.279 53.485 52.037 0.281 0.000 0.627 77 A CB -1.620 17.460 19.000 0.133 0.000 0.815 77 A HN 0.661 nan 8.150 nan 0.000 0.443 78 G N -1.876 107.039 108.800 0.192 0.000 2.509 78 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.218 78 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.218 78 G C 0.873 175.648 174.900 -0.208 0.000 1.124 78 G CA 0.659 45.741 45.100 -0.031 0.000 0.776 78 G HN 0.463 nan 8.290 nan 0.000 0.547 79 F N 0.167 120.222 119.950 0.176 0.000 2.641 79 F HA 0.378 4.905 4.527 -0.001 0.000 0.302 79 F C 1.810 177.661 175.800 0.085 0.000 1.098 79 F CA 0.217 58.320 58.000 0.172 0.000 1.318 79 F CB 0.717 39.890 39.000 0.288 0.000 1.035 79 F HN 0.189 nan 8.300 nan 0.000 0.551 80 G N -0.919 107.976 108.800 0.159 0.000 2.157 80 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.248 80 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.248 80 G C -0.151 174.688 174.900 -0.101 0.000 0.979 80 G CA -0.651 44.436 45.100 -0.021 0.000 0.650 80 G HN 0.267 nan 8.290 nan 0.000 0.529 81 W N 1.202 122.614 121.300 0.187 0.000 2.287 81 W HA 0.627 5.286 4.660 -0.001 0.000 0.313 81 W C 0.660 177.313 176.519 0.224 0.000 1.267 81 W CA -0.266 57.213 57.345 0.224 0.000 1.201 81 W CB 0.656 30.281 29.460 0.275 0.000 1.196 81 W HN 0.160 nan 8.180 nan 0.000 0.536 82 E N 3.353 123.789 120.200 0.393 0.000 2.256 82 E HA 0.598 4.947 4.350 -0.001 0.000 0.268 82 E C -1.009 175.802 176.600 0.351 0.000 0.877 82 E CA -0.941 55.576 56.400 0.195 0.000 0.757 82 E CB 1.934 31.680 29.700 0.076 0.000 1.183 82 E HN 0.307 nan 8.360 nan 0.000 0.418 83 F N -1.222 118.800 119.950 0.120 0.000 2.817 83 F HA 0.347 4.873 4.527 -0.001 0.000 0.317 83 F C -1.186 174.656 175.800 0.071 0.000 1.168 83 F CA -1.425 56.635 58.000 0.099 0.000 0.911 83 F CB 0.709 39.778 39.000 0.114 0.000 1.337 83 F HN 0.158 nan 8.300 nan 0.000 0.464 84 D N 1.214 121.742 120.400 0.214 0.000 2.416 84 D HA 0.260 4.899 4.640 -0.001 0.000 0.240 84 D C 1.417 177.765 176.300 0.080 0.000 1.250 84 D CA 0.641 54.691 54.000 0.083 0.000 0.967 84 D CB 0.976 41.840 40.800 0.108 0.000 1.059 84 D HN 0.873 nan 8.370 nan 0.000 0.512 85 G N 2.489 111.210 108.800 -0.131 0.000 2.475 85 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.220 85 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.220 85 G C 1.505 176.429 174.900 0.039 0.000 1.125 85 G CA 1.175 46.220 45.100 -0.092 0.000 0.755 85 G HN 0.556 nan 8.290 nan 0.000 0.565 86 S N 0.881 116.598 115.700 0.029 0.000 2.428 86 S HA -0.077 4.392 4.470 -0.001 0.000 0.230 86 S C 2.303 176.939 174.600 0.060 0.000 1.014 86 S CA 1.507 59.729 58.200 0.037 0.000 0.957 86 S CB -0.422 62.792 63.200 0.023 0.000 0.784 86 S HN 0.573 nan 8.310 nan 0.000 0.499 87 S N 0.556 116.308 115.700 0.087 0.000 2.603 87 S HA 0.236 4.705 4.470 -0.001 0.000 0.220 87 S C 0.382 175.041 174.600 0.099 0.000 0.967 87 S CA -0.330 57.924 58.200 0.090 0.000 0.920 87 S CB -0.515 62.746 63.200 0.102 0.000 0.773 87 S HN 0.288 nan 8.310 nan 0.000 0.529 88 V N 2.744 122.729 119.914 0.119 0.000 2.455 88 V HA 0.351 4.471 4.120 -0.001 0.000 0.273 88 V C 0.183 176.320 176.094 0.072 0.000 1.045 88 V CA -0.100 62.270 62.300 0.117 0.000 0.976 88 V CB 0.839 32.767 31.823 0.174 0.000 0.993 88 V HN 0.408 nan 8.190 nan 0.000 0.475 89 K N 4.072 124.505 120.400 0.054 0.000 2.375 89 K HA 0.768 5.087 4.320 -0.001 0.000 0.249 89 K C -0.697 175.925 176.600 0.038 0.000 0.942 89 K CA -0.754 55.563 56.287 0.050 0.000 0.806 89 K CB 2.097 34.633 32.500 0.060 0.000 1.227 89 K HN 0.663 nan 8.250 nan 0.000 0.430 90 A N 3.762 126.606 122.820 0.040 0.000 2.366 90 A HA 0.200 4.520 4.320 -0.001 0.000 0.322 90 A C -0.438 177.299 177.584 0.254 0.000 1.397 90 A CA -0.612 51.446 52.037 0.033 0.000 0.984 90 A CB -0.065 18.820 19.000 -0.192 0.000 1.149 90 A HN 0.687 nan 8.150 nan 0.000 0.540 91 N N 3.382 122.246 118.700 0.272 0.000 2.555 91 N HA -0.031 4.708 4.740 -0.001 0.000 0.244 91 N C 0.939 176.677 175.510 0.382 0.000 1.114 91 N CA -0.507 52.715 53.050 0.286 0.000 0.963 91 N CB 0.099 38.684 38.487 0.162 0.000 1.276 91 N HN 0.886 nan 8.380 nan 0.000 0.510 92 W N 4.869 126.320 121.300 0.250 0.000 2.318 92 W HA -0.222 4.437 4.660 -0.001 0.000 0.313 92 W C 0.841 177.371 176.519 0.018 0.000 1.221 92 W CA 1.304 58.703 57.345 0.090 0.000 1.266 92 W CB 0.213 29.744 29.460 0.118 0.000 1.150 92 W HN 0.494 nan 8.180 nan 0.000 0.496 93 K N 0.061 120.582 120.400 0.200 0.000 2.103 93 K HA -0.209 4.111 4.320 -0.001 0.000 0.207 93 K C 2.073 178.647 176.600 -0.045 0.000 1.048 93 K CA 1.292 57.608 56.287 0.050 0.000 0.930 93 K CB -0.395 32.186 32.500 0.135 0.000 0.716 93 K HN -0.089 nan 8.250 nan 0.000 0.444 94 K N 1.192 121.591 120.400 -0.003 0.000 2.057 94 K HA -0.127 4.193 4.320 -0.001 0.000 0.207 94 K C 2.168 178.705 176.600 -0.105 0.000 1.049 94 K CA 0.920 57.190 56.287 -0.028 0.000 0.931 94 K CB -0.388 32.121 32.500 0.015 0.000 0.714 94 K HN 0.093 nan 8.250 nan 0.000 0.440 95 L N 1.291 122.409 121.223 -0.174 0.000 2.017 95 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 95 L C 2.038 178.670 176.870 -0.397 0.000 1.073 95 L CA 1.513 56.169 54.840 -0.307 0.000 0.745 95 L CB -0.459 41.280 42.059 -0.533 0.000 0.894 95 L HN 0.026 nan 8.230 nan 0.000 0.432 96 I N 0.242 120.489 120.570 -0.538 0.000 2.226 96 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 96 I C 2.741 178.715 176.117 -0.239 0.000 1.100 96 I CA 1.427 62.441 61.300 -0.477 0.000 1.374 96 I CB -2.065 35.614 38.000 -0.536 0.000 1.057 96 I HN 0.383 nan 8.210 nan 0.000 0.413 97 A N 1.047 123.773 122.820 -0.156 0.000 1.865 97 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 97 A C 2.585 180.118 177.584 -0.086 0.000 1.191 97 A CA 2.483 54.475 52.037 -0.075 0.000 0.623 97 A CB -1.016 17.960 19.000 -0.040 0.000 0.826 97 A HN 0.417 nan 8.150 nan 0.000 0.444 98 A N -0.392 122.363 122.820 -0.108 0.000 1.940 98 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 98 A C 2.177 179.684 177.584 -0.129 0.000 1.176 98 A CA 2.145 54.121 52.037 -0.102 0.000 0.631 98 A CB -0.433 18.509 19.000 -0.096 0.000 0.814 98 A HN 0.460 nan 8.150 nan 0.000 0.446 99 K N -0.025 120.268 120.400 -0.178 0.000 2.097 99 K HA -0.149 4.170 4.320 -0.001 0.000 0.205 99 K C 1.352 177.812 176.600 -0.233 0.000 1.050 99 K CA 1.624 57.785 56.287 -0.210 0.000 0.938 99 K CB -0.422 31.924 32.500 -0.256 0.000 0.718 99 K HN 0.415 nan 8.250 nan 0.000 0.442 100 N N 1.449 120.035 118.700 -0.190 0.000 2.188 100 N HA -0.149 4.591 4.740 -0.001 0.000 0.184 100 N C 1.700 177.149 175.510 -0.102 0.000 1.018 100 N CA 1.121 54.065 53.050 -0.176 0.000 0.858 100 N CB -0.151 38.396 38.487 0.099 0.000 0.989 100 N HN 0.351 nan 8.380 nan 0.000 0.426 101 E N 1.047 121.210 120.200 -0.062 0.000 2.072 101 E HA 0.046 4.395 4.350 -0.001 0.000 0.190 101 E C 1.781 178.340 176.600 -0.068 0.000 0.982 101 E CA 1.209 57.589 56.400 -0.033 0.000 0.803 101 E CB -0.327 29.354 29.700 -0.031 0.000 0.755 101 E HN 0.257 nan 8.360 nan 0.000 0.453 102 A N 0.185 122.942 122.820 -0.105 0.000 1.908 102 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 102 A C 2.490 179.995 177.584 -0.132 0.000 1.181 102 A CA 1.725 53.694 52.037 -0.115 0.000 0.627 102 A CB -0.815 18.110 19.000 -0.125 0.000 0.818 102 A HN 0.213 nan 8.150 nan 0.000 0.445 103 V N -0.469 119.328 119.914 -0.194 0.000 2.358 103 V HA -0.206 3.913 4.120 -0.001 0.000 0.246 103 V C 2.475 178.523 176.094 -0.076 0.000 1.047 103 V CA 1.870 64.043 62.300 -0.212 0.000 1.035 103 V CB -0.693 30.870 31.823 -0.434 0.000 0.658 103 V HN 0.587 nan 8.190 nan 0.000 0.452 104 L N 0.312 121.528 121.223 -0.012 0.000 2.093 104 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 104 L C 2.105 178.990 176.870 0.025 0.000 1.085 104 L CA 1.957 56.867 54.840 0.116 0.000 0.755 104 L CB -0.854 41.306 42.059 0.169 0.000 0.904 104 L HN 0.306 nan 8.230 nan 0.000 0.435 105 D N -0.148 120.236 120.400 -0.026 0.000 2.123 105 D HA -0.222 4.417 4.640 -0.001 0.000 0.196 105 D C 2.288 178.530 176.300 -0.095 0.000 0.992 105 D CA 2.005 55.970 54.000 -0.059 0.000 0.833 105 D CB -0.174 40.583 40.800 -0.073 0.000 0.954 105 D HN 0.444 nan 8.370 nan 0.000 0.455 106 I N 1.140 121.642 120.570 -0.113 0.000 2.179 106 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 106 I C 1.921 177.957 176.117 -0.135 0.000 1.088 106 I CA 1.063 62.251 61.300 -0.188 0.000 1.357 106 I CB -0.401 37.500 38.000 -0.164 0.000 1.051 106 I HN -0.003 nan 8.210 nan 0.000 0.409 107 N N 0.879 119.589 118.700 0.016 0.000 2.036 107 N HA -0.242 4.497 4.740 -0.001 0.000 0.195 107 N C 1.783 177.319 175.510 0.043 0.000 1.037 107 N CA 1.445 54.552 53.050 0.095 0.000 0.855 107 N CB -0.160 38.390 38.487 0.105 0.000 1.033 107 N HN 0.326 nan 8.380 nan 0.000 0.423 108 K N 0.385 120.782 120.400 -0.004 0.000 2.097 108 K HA -0.094 4.225 4.320 -0.001 0.000 0.206 108 K C 2.384 178.957 176.600 -0.045 0.000 1.049 108 K CA 1.483 57.759 56.287 -0.019 0.000 0.933 108 K CB -0.127 32.359 32.500 -0.023 0.000 0.717 108 K HN 0.272 nan 8.250 nan 0.000 0.442 109 S N -0.113 115.518 115.700 -0.116 0.000 2.428 109 S HA -0.122 4.347 4.470 -0.001 0.000 0.230 109 S C 1.858 176.367 174.600 -0.152 0.000 1.014 109 S CA 0.560 58.659 58.200 -0.168 0.000 0.957 109 S CB -0.357 62.688 63.200 -0.259 0.000 0.784 109 S HN 0.193 nan 8.310 nan 0.000 0.499 110 Y N 2.284 122.534 120.300 -0.083 0.000 2.133 110 Y HA 0.064 4.614 4.550 -0.001 0.000 0.287 110 Y C 2.622 178.520 175.900 -0.004 0.000 1.134 110 Y CA 0.806 58.853 58.100 -0.089 0.000 1.133 110 Y CB -0.968 37.459 38.460 -0.055 0.000 0.987 110 Y HN 0.320 nan 8.280 nan 0.000 0.502 111 E N -0.728 119.579 120.200 0.180 0.000 2.149 111 E HA -0.302 4.048 4.350 -0.001 0.000 0.215 111 E C 2.302 178.978 176.600 0.128 0.000 1.055 111 E CA 1.563 58.029 56.400 0.110 0.000 0.870 111 E CB -0.697 29.014 29.700 0.017 0.000 0.764 111 E HN 0.566 nan 8.360 nan 0.000 0.463 112 G N 0.433 109.269 108.800 0.061 0.000 2.712 112 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.212 112 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.212 112 G C 1.365 176.291 174.900 0.044 0.000 1.142 112 G CA 0.362 45.490 45.100 0.047 0.000 0.789 112 G HN 0.150 nan 8.290 nan 0.000 0.535 113 M N -0.388 119.215 119.600 0.005 0.000 2.117 113 M HA 0.037 4.517 4.480 -0.001 0.000 0.262 113 M C 1.940 178.217 176.300 -0.039 0.000 1.065 113 M CA 1.402 56.670 55.300 -0.053 0.000 1.114 113 M CB -0.212 32.280 32.600 -0.179 0.000 1.361 113 M HN 0.158 nan 8.290 nan 0.000 0.408 114 F N 1.153 121.161 119.950 0.096 0.000 2.269 114 F HA -0.142 4.385 4.527 -0.001 0.000 0.301 114 F C 1.818 177.657 175.800 0.065 0.000 1.082 114 F CA 1.405 59.458 58.000 0.088 0.000 1.360 114 F CB -0.824 38.210 39.000 0.057 0.000 1.041 114 F HN 0.325 nan 8.300 nan 0.000 0.512 115 N N -0.391 118.429 118.700 0.200 0.000 2.300 115 N HA -0.096 4.644 4.740 -0.001 0.000 0.179 115 N C 0.798 176.367 175.510 0.098 0.000 1.016 115 N CA 1.303 54.429 53.050 0.127 0.000 0.876 115 N CB -0.124 38.414 38.487 0.085 0.000 0.979 115 N HN 0.206 nan 8.380 nan 0.000 0.432 116 D N -1.305 119.150 120.400 0.091 0.000 2.433 116 D HA 0.079 4.719 4.640 -0.001 0.000 0.211 116 D C -0.325 176.018 176.300 0.073 0.000 1.114 116 D CA 0.263 54.306 54.000 0.070 0.000 0.837 116 D CB 0.345 41.180 40.800 0.058 0.000 0.984 116 D HN -0.024 nan 8.370 nan 0.000 0.505 117 T N 1.609 116.218 114.554 0.092 0.000 2.733 117 T HA 0.192 4.541 4.350 -0.001 0.000 0.294 117 T C 0.106 174.835 174.700 0.048 0.000 0.956 117 T CA -0.466 61.668 62.100 0.058 0.000 0.987 117 T CB 2.017 70.928 68.868 0.071 0.000 0.920 117 T HN -0.116 nan 8.240 nan 0.000 0.470 118 E N 2.200 122.406 120.200 0.010 0.000 2.415 118 E HA 0.375 4.725 4.350 -0.001 0.000 0.263 118 E C 1.304 177.915 176.600 0.018 0.000 0.995 118 E CA 1.067 57.479 56.400 0.019 0.000 0.915 118 E CB -0.136 29.562 29.700 -0.003 0.000 0.951 118 E HN 0.841 nan 8.360 nan 0.000 0.449 119 G N 3.342 112.184 108.800 0.071 0.000 2.162 119 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.260 119 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.260 119 G C -0.285 174.701 174.900 0.144 0.000 0.976 119 G CA 0.336 45.495 45.100 0.098 0.000 0.655 119 G HN 0.582 nan 8.290 nan 0.000 0.533 120 L N 1.203 122.528 121.223 0.170 0.000 2.377 120 L HA 0.772 5.111 4.340 -0.001 0.000 0.270 120 L C -1.330 175.785 176.870 0.409 0.000 0.991 120 L CA -0.963 54.030 54.840 0.256 0.000 0.851 120 L CB 1.556 43.721 42.059 0.177 0.000 1.218 120 L HN 0.027 nan 8.230 nan 0.000 0.420 121 D N 3.773 124.382 120.400 0.349 0.000 2.350 121 D HA 0.406 5.045 4.640 -0.001 0.000 0.245 121 D C -1.320 174.913 176.300 -0.112 0.000 1.036 121 D CA 0.201 54.295 54.000 0.158 0.000 0.848 121 D CB 1.913 42.816 40.800 0.172 0.000 1.307 121 D HN 0.300 nan 8.370 nan 0.000 0.469 122 F N 2.007 121.519 119.950 -0.729 0.000 2.436 122 F HA 0.601 5.127 4.527 -0.001 0.000 0.340 122 F C -1.478 173.804 175.800 -0.865 0.000 1.113 122 F CA -0.845 56.584 58.000 -0.951 0.000 1.022 122 F CB 0.603 38.696 39.000 -1.513 0.000 1.128 122 F HN 0.142 nan 8.300 nan 0.000 0.466 123 F N 6.760 126.000 119.950 -1.184 0.000 2.493 123 F HA 0.442 4.968 4.527 -0.001 0.000 0.329 123 F C -0.815 174.256 175.800 -1.215 0.000 1.126 123 F CA -1.013 56.463 58.000 -0.874 0.000 0.937 123 F CB 1.711 40.410 39.000 -0.503 0.000 1.146 123 F HN 0.321 nan 8.300 nan 0.000 0.442 124 L N 3.854 124.718 121.223 -0.599 0.000 2.313 124 L HA 0.808 5.148 4.340 -0.001 0.000 0.282 124 L C 0.162 176.938 176.870 -0.155 0.000 1.092 124 L CA 0.706 55.352 54.840 -0.323 0.000 0.831 124 L CB 0.004 42.057 42.059 -0.011 0.000 1.159 124 L HN 0.789 nan 8.230 nan 0.000 0.442 125 G N 3.100 111.780 108.800 -0.201 0.000 2.356 125 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.266 125 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.266 125 G C -2.077 172.659 174.900 -0.273 0.000 1.312 125 G CA -0.742 44.288 45.100 -0.116 0.000 0.922 125 G HN 0.446 nan 8.290 nan 0.000 0.480 126 W N 1.337 122.564 121.300 -0.122 0.000 2.314 126 W HA 0.602 5.262 4.660 -0.000 0.000 0.310 126 W C 0.662 177.110 176.519 -0.118 0.000 1.075 126 W CA 0.270 57.529 57.345 -0.144 0.000 1.253 126 W CB 1.757 31.116 29.460 -0.169 0.000 1.238 126 W HN 0.842 nan 8.180 nan 0.000 0.440 127 G N 2.096 110.920 108.800 0.040 0.000 2.372 127 G HA2 0.553 4.512 3.960 -0.001 0.000 0.283 127 G HA3 0.553 4.512 3.960 -0.001 0.000 0.283 127 G C -0.532 174.388 174.900 0.034 0.000 1.177 127 G CA -0.429 44.669 45.100 -0.003 0.000 0.842 127 G HN 0.436 nan 8.290 nan 0.000 0.503 128 S N 0.831 116.539 115.700 0.013 0.000 2.618 128 S HA 0.632 5.102 4.470 -0.001 0.000 0.277 128 S C -1.215 173.380 174.600 -0.008 0.000 1.138 128 S CA -0.944 57.262 58.200 0.009 0.000 0.844 128 S CB 1.678 64.883 63.200 0.008 0.000 1.127 128 S HN 0.330 nan 8.310 nan 0.000 0.474 129 L N 2.128 123.346 121.223 -0.009 0.000 2.278 129 L HA 0.510 4.850 4.340 -0.001 0.000 0.287 129 L C 1.374 178.234 176.870 -0.018 0.000 1.072 129 L CA 0.265 55.096 54.840 -0.016 0.000 0.819 129 L CB 0.558 42.607 42.059 -0.016 0.000 1.176 129 L HN 1.086 nan 8.230 nan 0.000 0.435 130 E N 1.769 121.957 120.200 -0.020 0.000 2.127 130 E HA 0.055 4.404 4.350 -0.001 0.000 0.191 130 E C 0.181 176.768 176.600 -0.021 0.000 0.964 130 E CA 0.670 57.058 56.400 -0.020 0.000 0.832 130 E CB 0.587 30.276 29.700 -0.020 0.000 0.790 130 E HN 0.728 nan 8.360 nan 0.000 0.465 131 S N -1.617 114.069 115.700 -0.022 0.000 2.727 131 S HA 0.230 4.699 4.470 -0.001 0.000 0.278 131 S C 0.337 174.919 174.600 -0.030 0.000 1.186 131 S CA -0.748 57.437 58.200 -0.025 0.000 0.836 131 S CB 1.048 64.234 63.200 -0.023 0.000 1.186 131 S HN 0.073 nan 8.310 nan 0.000 0.499 132 K N 0.428 120.806 120.400 -0.036 0.000 2.160 132 K HA -0.058 4.262 4.320 -0.001 0.000 0.206 132 K C 0.379 176.950 176.600 -0.048 0.000 1.047 132 K CA 1.974 58.232 56.287 -0.048 0.000 0.930 132 K CB -0.429 32.039 32.500 -0.053 0.000 0.720 132 K HN 0.636 nan 8.250 nan 0.000 0.450 133 N N -0.690 117.989 118.700 -0.035 0.000 2.291 133 N HA 0.121 4.861 4.740 -0.001 0.000 0.244 133 N C -1.787 173.718 175.510 -0.008 0.000 1.216 133 N CA -0.326 52.709 53.050 -0.025 0.000 0.879 133 N CB 1.893 40.362 38.487 -0.029 0.000 1.167 133 N HN -0.168 nan 8.380 nan 0.000 0.515 134 V N 1.161 121.067 119.914 -0.013 0.000 2.524 134 V HA 0.360 4.480 4.120 -0.001 0.000 0.297 134 V C -0.502 175.581 176.094 -0.019 0.000 1.035 134 V CA -0.848 61.445 62.300 -0.011 0.000 0.867 134 V CB 2.097 33.910 31.823 -0.016 0.000 1.004 134 V HN -0.223 nan 8.190 nan 0.000 0.426 135 V N 5.656 125.555 119.914 -0.025 0.000 2.427 135 V HA 0.495 4.614 4.120 -0.001 0.000 0.286 135 V C -0.004 176.054 176.094 -0.059 0.000 1.034 135 V CA -0.487 61.788 62.300 -0.043 0.000 0.893 135 V CB 1.945 33.732 31.823 -0.060 0.000 0.982 135 V HN 0.614 nan 8.190 nan 0.000 0.452 136 V N 5.603 125.490 119.914 -0.045 0.000 2.472 136 V HA 0.474 4.594 4.120 -0.001 0.000 0.290 136 V C -0.141 175.929 176.094 -0.041 0.000 1.037 136 V CA -0.552 61.722 62.300 -0.043 0.000 0.908 136 V CB 1.967 33.776 31.823 -0.023 0.000 0.985 136 V HN 0.601 nan 8.190 nan 0.000 0.454 137 V N 5.849 125.734 119.914 -0.049 0.000 2.417 137 V HA 0.572 4.692 4.120 -0.001 0.000 0.291 137 V C 0.085 176.190 176.094 0.020 0.000 1.024 137 V CA -0.692 61.593 62.300 -0.026 0.000 0.861 137 V CB 1.470 33.248 31.823 -0.076 0.000 0.985 137 V HN 0.828 nan 8.190 nan 0.000 0.436 138 R N 2.404 122.947 120.500 0.071 0.000 2.854 138 R HA 0.465 4.804 4.340 -0.001 0.000 0.271 138 R C 0.594 176.983 176.300 0.148 0.000 0.996 138 R CA -0.794 55.351 56.100 0.075 0.000 0.961 138 R CB 2.220 32.541 30.300 0.036 0.000 1.182 138 R HN 0.701 nan 8.270 nan 0.000 0.479 139 E N 0.300 120.563 120.200 0.105 0.000 2.153 139 E HA -0.113 4.237 4.350 -0.001 0.000 0.194 139 E C 0.531 177.238 176.600 0.177 0.000 0.988 139 E CA 1.517 58.004 56.400 0.144 0.000 0.811 139 E CB 0.288 30.039 29.700 0.084 0.000 0.746 139 E HN 0.621 nan 8.360 nan 0.000 0.466 140 T N -4.864 109.653 114.554 -0.062 0.000 2.812 140 T HA 0.552 4.902 4.350 -0.001 0.000 0.294 140 T C 0.727 174.823 174.700 -1.007 0.000 1.159 140 T CA -0.340 61.443 62.100 -0.528 0.000 1.008 140 T CB 1.510 70.188 68.868 -0.316 0.000 1.289 140 T HN -0.117 nan 8.240 nan 0.000 0.514 141 A N -0.024 121.769 122.820 -1.712 0.000 2.178 141 A HA 0.095 4.414 4.320 -0.001 0.000 0.218 141 A C 0.966 178.223 177.584 -0.546 0.000 1.157 141 A CA 1.006 52.301 52.037 -1.237 0.000 0.689 141 A CB -0.938 17.200 19.000 -1.438 0.000 0.787 141 A HN 0.828 nan 8.150 nan 0.000 0.465 142 D N -0.026 120.123 120.400 -0.419 0.000 2.343 142 D HA 0.150 4.790 4.640 -0.001 0.000 0.255 142 D C -1.586 174.612 176.300 -0.169 0.000 1.187 142 D CA -2.026 51.832 54.000 -0.236 0.000 0.875 142 D CB 1.218 41.911 40.800 -0.179 0.000 1.136 142 D HN 0.094 nan 8.370 nan 0.000 0.469 143 P HA -0.080 nan 4.420 nan 0.000 0.231 143 P C 0.530 177.793 177.300 -0.062 0.000 1.158 143 P CA 0.708 63.760 63.100 -0.080 0.000 0.763 143 P CB 0.391 32.052 31.700 -0.064 0.000 0.805 144 K N 0.061 120.421 120.400 -0.066 0.000 2.393 144 K HA 0.067 4.386 4.320 -0.001 0.000 0.193 144 K C 1.233 177.807 176.600 -0.044 0.000 1.026 144 K CA 0.013 56.271 56.287 -0.048 0.000 1.064 144 K CB 0.130 32.603 32.500 -0.045 0.000 0.833 144 K HN 0.215 nan 8.250 nan 0.000 0.521 145 S N 0.517 116.183 115.700 -0.058 0.000 2.608 145 S HA 0.411 4.881 4.470 -0.001 0.000 0.261 145 S C 0.357 174.946 174.600 -0.020 0.000 1.314 145 S CA -0.968 57.205 58.200 -0.044 0.000 0.992 145 S CB 1.191 64.349 63.200 -0.069 0.000 0.935 145 S HN 0.157 nan 8.310 nan 0.000 0.564 146 A N 0.941 123.760 122.820 -0.002 0.000 2.386 146 A HA 0.515 4.835 4.320 -0.001 0.000 0.248 146 A C 0.084 177.679 177.584 0.017 0.000 1.082 146 A CA -0.715 51.327 52.037 0.009 0.000 0.789 146 A CB -0.117 18.894 19.000 0.018 0.000 1.025 146 A HN 0.877 nan 8.150 nan 0.000 0.490 147 V N 2.969 122.892 119.914 0.016 0.000 2.508 147 V HA 0.074 4.193 4.120 -0.001 0.000 0.281 147 V C 1.042 177.155 176.094 0.032 0.000 1.041 147 V CA 0.226 62.537 62.300 0.019 0.000 1.016 147 V CB 0.860 32.689 31.823 0.010 0.000 0.984 147 V HN 1.049 nan 8.190 nan 0.000 0.478 148 K N 2.663 123.084 120.400 0.035 0.000 2.141 148 K HA 0.234 4.553 4.320 -0.001 0.000 0.202 148 K C 0.195 176.819 176.600 0.041 0.000 1.045 148 K CA 0.519 56.834 56.287 0.047 0.000 0.971 148 K CB 0.378 32.911 32.500 0.056 0.000 0.795 148 K HN 0.656 nan 8.250 nan 0.000 0.459 149 E N 0.256 120.458 120.200 0.005 0.000 2.430 149 E HA 0.324 4.673 4.350 -0.001 0.000 0.279 149 E C -1.125 175.436 176.600 -0.066 0.000 1.003 149 E CA -0.597 55.784 56.400 -0.031 0.000 0.801 149 E CB 2.227 31.862 29.700 -0.107 0.000 1.313 149 E HN -0.012 nan 8.360 nan 0.000 0.459 150 R N 1.021 121.480 120.500 -0.067 0.000 2.480 150 R HA 0.539 4.878 4.340 -0.001 0.000 0.306 150 R C -0.624 175.628 176.300 -0.080 0.000 0.958 150 R CA -0.571 55.490 56.100 -0.065 0.000 0.861 150 R CB 1.265 31.547 30.300 -0.030 0.000 1.171 150 R HN 0.287 nan 8.270 nan 0.000 0.445 151 L N 3.817 124.988 121.223 -0.088 0.000 2.298 151 L HA 0.379 4.719 4.340 -0.001 0.000 0.284 151 L C -0.010 176.899 176.870 0.065 0.000 1.013 151 L CA -0.776 54.059 54.840 -0.009 0.000 0.824 151 L CB 1.697 43.661 42.059 -0.157 0.000 1.221 151 L HN 0.426 nan 8.230 nan 0.000 0.418 152 Q N 2.555 122.409 119.800 0.090 0.000 2.327 152 Q HA 0.674 5.013 4.340 -0.001 0.000 0.254 152 Q C -0.343 175.745 176.000 0.147 0.000 0.952 152 Q CA -0.345 55.496 55.803 0.063 0.000 0.884 152 Q CB 1.798 30.538 28.738 0.003 0.000 1.224 152 Q HN 0.731 nan 8.270 nan 0.000 0.422 153 A N 1.992 124.874 122.820 0.104 0.000 2.437 153 A HA 0.281 4.600 4.320 -0.001 0.000 0.293 153 A C -0.627 176.999 177.584 0.071 0.000 1.038 153 A CA -0.709 51.416 52.037 0.147 0.000 0.708 153 A CB 1.233 20.314 19.000 0.135 0.000 1.251 153 A HN 0.714 nan 8.150 nan 0.000 0.409 154 D N 0.735 121.185 120.400 0.083 0.000 2.117 154 D HA -0.021 4.619 4.640 -0.001 0.000 0.197 154 D C 0.193 176.306 176.300 -0.312 0.000 0.987 154 D CA 1.761 55.703 54.000 -0.096 0.000 0.829 154 D CB 0.064 40.853 40.800 -0.018 0.000 0.961 154 D HN 0.664 nan 8.370 nan 0.000 0.460 155 H N -0.998 118.190 119.070 0.197 0.000 2.637 155 H HA 0.499 5.054 4.556 -0.001 0.000 0.363 155 H C -0.298 175.147 175.328 0.195 0.000 1.131 155 H CA -0.592 55.592 56.048 0.227 0.000 1.183 155 H CB 2.085 32.103 29.762 0.428 0.000 1.637 155 H HN -0.131 nan 8.280 nan 0.000 0.531 156 I N 3.167 123.859 120.570 0.203 0.000 2.498 156 I HA 0.097 4.266 4.170 -0.001 0.000 0.290 156 I C -0.902 175.338 176.117 0.204 0.000 1.032 156 I CA -0.879 60.512 61.300 0.151 0.000 1.073 156 I CB 2.468 40.491 38.000 0.039 0.000 1.251 156 I HN 0.139 nan 8.210 nan 0.000 0.426 157 L N 7.871 129.228 121.223 0.224 0.000 2.298 157 L HA 0.516 4.855 4.340 -0.001 0.000 0.284 157 L C -0.925 176.029 176.870 0.141 0.000 1.013 157 L CA -0.259 54.726 54.840 0.241 0.000 0.824 157 L CB 1.111 43.320 42.059 0.251 0.000 1.221 157 L HN 0.412 nan 8.230 nan 0.000 0.418 158 L N 6.194 127.493 121.223 0.126 0.000 2.283 158 L HA 0.604 4.944 4.340 -0.001 0.000 0.287 158 L C 0.592 177.520 176.870 0.097 0.000 1.073 158 L CA -0.134 54.759 54.840 0.088 0.000 0.822 158 L CB 0.849 42.950 42.059 0.069 0.000 1.186 158 L HN 0.854 nan 8.230 nan 0.000 0.436 159 A N 1.247 124.117 122.820 0.083 0.000 2.806 159 A HA 0.250 4.570 4.320 -0.001 0.000 0.266 159 A C 0.931 178.560 177.584 0.074 0.000 0.926 159 A CA -0.159 51.929 52.037 0.087 0.000 1.068 159 A CB -0.078 18.978 19.000 0.092 0.000 1.189 159 A HN 0.715 nan 8.150 nan 0.000 0.481 160 T N -3.318 111.278 114.554 0.070 0.000 3.107 160 T HA 0.454 4.804 4.350 -0.001 0.000 0.249 160 T C 1.295 176.054 174.700 0.099 0.000 1.096 160 T CA 1.035 63.171 62.100 0.060 0.000 1.012 160 T CB -0.164 68.731 68.868 0.043 0.000 0.977 160 T HN 2.018 nan 8.240 nan 0.000 0.527 161 G N 1.720 110.589 108.800 0.116 0.000 2.562 161 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.250 161 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.250 161 G C -0.032 174.976 174.900 0.180 0.000 1.269 161 G CA 0.032 45.222 45.100 0.149 0.000 0.919 161 G HN 1.506 nan 8.290 nan 0.000 0.574 162 S N -1.602 114.237 115.700 0.232 0.000 2.851 162 S HA 0.846 5.316 4.470 -0.001 0.000 0.317 162 S C -0.828 174.025 174.600 0.422 0.000 1.144 162 S CA 0.206 58.567 58.200 0.267 0.000 0.862 162 S CB 2.614 65.940 63.200 0.210 0.000 1.259 162 S HN 1.870 nan 8.310 nan 0.000 0.564 163 W N 0.559 121.923 121.300 0.106 0.000 3.363 163 W HA 0.399 5.059 4.660 -0.001 0.000 0.306 163 W C -3.429 173.141 176.519 0.085 0.000 1.253 163 W CA -2.033 55.376 57.345 0.106 0.000 1.195 163 W CB 1.642 31.168 29.460 0.109 0.000 1.366 163 W HN 0.497 nan 8.180 nan 0.000 0.551 164 P HA -0.022 nan 4.420 nan 0.000 0.268 164 P C -0.888 176.407 177.300 -0.009 0.000 1.205 164 P CA 0.544 63.530 63.100 -0.190 0.000 0.771 164 P CB 0.636 32.130 31.700 -0.345 0.000 0.858 165 Q N 2.568 122.387 119.800 0.033 0.000 2.267 165 Q HA 0.370 4.709 4.340 -0.001 0.000 0.255 165 Q C -0.930 175.094 176.000 0.040 0.000 0.923 165 Q CA -0.448 55.400 55.803 0.073 0.000 0.925 165 Q CB 0.469 29.252 28.738 0.075 0.000 1.195 165 Q HN 0.310 nan 8.270 nan 0.000 0.417 166 M N 5.760 125.395 119.600 0.057 0.000 2.149 166 M HA 0.417 4.897 4.480 -0.001 0.000 0.342 166 M C -2.202 174.116 176.300 0.029 0.000 1.068 166 M CA -2.403 52.916 55.300 0.031 0.000 0.991 166 M CB 0.834 33.456 32.600 0.037 0.000 1.596 166 M HN 0.567 nan 8.290 nan 0.000 0.439 167 P HA 0.367 nan 4.420 nan 0.000 0.277 167 P C -0.926 176.378 177.300 0.006 0.000 1.240 167 P CA -0.507 62.602 63.100 0.015 0.000 0.798 167 P CB 0.778 32.484 31.700 0.010 0.000 0.979 168 A N 3.780 126.604 122.820 0.007 0.000 2.923 168 A HA 0.474 4.793 4.320 -0.001 0.000 0.306 168 A C 0.676 178.256 177.584 -0.007 0.000 1.542 168 A CA -0.690 51.347 52.037 0.001 0.000 1.225 168 A CB -1.281 17.722 19.000 0.006 0.000 1.147 168 A HN 0.574 nan 8.150 nan 0.000 0.542 169 I N -1.527 119.033 120.570 -0.016 0.000 2.648 169 I HA 0.683 4.852 4.170 -0.001 0.000 0.304 169 I C -2.813 173.288 176.117 -0.025 0.000 1.009 169 I CA -3.135 58.152 61.300 -0.023 0.000 1.114 169 I CB 1.819 39.798 38.000 -0.035 0.000 1.293 169 I HN 0.082 nan 8.210 nan 0.000 0.449 170 P HA 0.180 nan 4.420 nan 0.000 0.267 170 P C 0.639 177.933 177.300 -0.011 0.000 1.205 170 P CA 0.743 63.833 63.100 -0.016 0.000 0.765 170 P CB 0.672 32.369 31.700 -0.005 0.000 0.828 171 G N 2.916 111.698 108.800 -0.031 0.000 2.136 171 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.242 171 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.242 171 G C 0.794 175.633 174.900 -0.102 0.000 0.989 171 G CA 0.153 45.227 45.100 -0.043 0.000 0.682 171 G HN 0.558 nan 8.290 nan 0.000 0.522 172 I N 1.640 122.157 120.570 -0.089 0.000 2.399 172 I HA -0.146 4.023 4.170 -0.001 0.000 0.254 172 I C 2.561 178.612 176.117 -0.110 0.000 1.146 172 I CA 2.460 63.716 61.300 -0.072 0.000 1.412 172 I CB -0.041 37.932 38.000 -0.044 0.000 1.076 172 I HN 0.504 nan 8.210 nan 0.000 0.432 173 E N -0.600 119.473 120.200 -0.211 0.000 2.409 173 E HA -0.250 4.099 4.350 -0.001 0.000 0.198 173 E C 1.161 177.638 176.600 -0.206 0.000 1.024 173 E CA 1.232 57.506 56.400 -0.210 0.000 0.861 173 E CB -0.914 28.642 29.700 -0.240 0.000 0.788 173 E HN 0.619 nan 8.360 nan 0.000 0.521 174 H N -0.173 118.886 119.070 -0.018 0.000 2.539 174 H HA 0.205 4.760 4.556 -0.001 0.000 0.267 174 H C 0.388 175.692 175.328 -0.039 0.000 0.982 174 H CA -0.115 55.918 56.048 -0.025 0.000 1.146 174 H CB -0.081 29.662 29.762 -0.031 0.000 1.382 174 H HN 0.149 nan 8.280 nan 0.000 0.577 175 C N 1.374 120.694 119.300 0.033 0.000 2.401 175 C HA 0.614 5.073 4.460 -0.001 0.000 0.356 175 C C 1.178 176.151 174.990 -0.027 0.000 1.192 175 C CA -0.857 58.156 59.018 -0.009 0.000 2.028 175 C CB 1.504 29.227 27.740 -0.029 0.000 2.344 175 C HN 0.421 nan 8.230 nan 0.000 0.525 176 I N -0.019 120.516 120.570 -0.057 0.000 3.436 176 I HA 0.876 5.045 4.170 -0.001 0.000 0.300 176 I C -0.088 175.953 176.117 -0.126 0.000 1.131 176 I CA -0.253 61.001 61.300 -0.077 0.000 1.001 176 I CB 1.882 39.838 38.000 -0.073 0.000 1.305 176 I HN 0.691 nan 8.210 nan 0.000 0.494 177 S N -0.158 115.433 115.700 -0.183 0.000 2.751 177 S HA 0.362 4.831 4.470 -0.001 0.000 0.310 177 S C 0.868 175.273 174.600 -0.325 0.000 1.128 177 S CA 0.041 58.094 58.200 -0.246 0.000 0.931 177 S CB 1.177 64.201 63.200 -0.294 0.000 1.177 177 S HN 0.890 nan 8.310 nan 0.000 0.530 178 S N 1.202 116.681 115.700 -0.368 0.000 2.419 178 S HA -0.188 4.282 4.470 -0.001 0.000 0.235 178 S C 1.417 175.880 174.600 -0.229 0.000 1.019 178 S CA 1.330 59.241 58.200 -0.481 0.000 0.982 178 S CB -1.040 62.010 63.200 -0.250 0.000 0.789 178 S HN 0.684 nan 8.310 nan 0.000 0.490 179 N N 2.155 120.706 118.700 -0.247 0.000 2.069 179 N HA -0.087 4.652 4.740 -0.001 0.000 0.191 179 N C 1.708 177.155 175.510 -0.105 0.000 1.031 179 N CA 1.831 54.723 53.050 -0.263 0.000 0.852 179 N CB -0.603 37.277 38.487 -1.011 0.000 1.018 179 N HN 0.557 nan 8.380 nan 0.000 0.423 180 E N 0.811 120.877 120.200 -0.223 0.000 2.150 180 E HA 0.028 4.378 4.350 -0.001 0.000 0.193 180 E C 1.932 178.647 176.600 0.192 0.000 0.985 180 E CA 0.946 57.401 56.400 0.092 0.000 0.814 180 E CB -0.347 29.361 29.700 0.013 0.000 0.752 180 E HN 0.361 nan 8.360 nan 0.000 0.466 181 A N 0.372 123.172 122.820 -0.033 0.000 1.948 181 A HA -0.208 4.111 4.320 -0.001 0.000 0.220 181 A C 1.773 179.418 177.584 0.101 0.000 1.177 181 A CA 1.333 53.328 52.037 -0.070 0.000 0.636 181 A CB -0.899 17.633 19.000 -0.780 0.000 0.815 181 A HN 0.263 nan 8.150 nan 0.000 0.449 182 F N -2.112 117.941 119.950 0.171 0.000 2.408 182 F HA -0.096 4.431 4.527 -0.001 0.000 0.300 182 F C 1.203 176.780 175.800 -0.372 0.000 1.090 182 F CA 1.075 59.021 58.000 -0.089 0.000 1.427 182 F CB -0.373 38.497 39.000 -0.218 0.000 1.070 182 F HN 0.357 nan 8.300 nan 0.000 0.549 183 Y N -1.247 119.294 120.300 0.401 0.000 2.641 183 Y HA 0.328 4.877 4.550 -0.001 0.000 0.248 183 Y C 0.332 176.434 175.900 0.336 0.000 1.170 183 Y CA -0.780 57.522 58.100 0.337 0.000 1.201 183 Y CB -0.125 38.536 38.460 0.335 0.000 1.232 183 Y HN -0.261 nan 8.280 nan 0.000 0.537 184 L N 3.012 124.538 121.223 0.505 0.000 2.455 184 L HA 0.061 4.400 4.340 -0.001 0.000 0.272 184 L C -1.259 175.910 176.870 0.497 0.000 1.174 184 L CA -1.253 53.838 54.840 0.418 0.000 0.869 184 L CB 0.765 43.018 42.059 0.322 0.000 1.130 184 L HN 0.005 nan 8.230 nan 0.000 0.474 185 P HA -0.098 nan 4.420 nan 0.000 0.218 185 P C -0.289 177.208 177.300 0.328 0.000 1.149 185 P CA 1.318 64.594 63.100 0.293 0.000 0.817 185 P CB 0.304 32.111 31.700 0.179 0.000 0.785 186 E N -0.899 119.405 120.200 0.173 0.000 2.317 186 E HA 0.316 4.665 4.350 -0.001 0.000 0.270 186 E C -2.725 173.620 176.600 -0.425 0.000 0.885 186 E CA -2.558 53.846 56.400 0.006 0.000 0.760 186 E CB 1.822 31.509 29.700 -0.022 0.000 1.227 186 E HN 0.009 nan 8.360 nan 0.000 0.434 187 P HA 0.190 nan 4.420 nan 0.000 0.276 187 P C -2.490 174.536 177.300 -0.458 0.000 1.230 187 P CA -1.336 61.205 63.100 -0.933 0.000 0.776 187 P CB -0.136 31.258 31.700 -0.509 0.000 0.888 188 P HA 0.194 nan 4.420 nan 0.000 0.276 188 P C 0.978 178.133 177.300 -0.242 0.000 1.230 188 P CA -0.187 62.699 63.100 -0.357 0.000 0.776 188 P CB 1.135 32.531 31.700 -0.508 0.000 0.888 189 R N 2.985 123.388 120.500 -0.162 0.000 2.070 189 R HA -0.073 4.266 4.340 -0.001 0.000 0.233 189 R C 0.368 176.603 176.300 -0.108 0.000 1.137 189 R CA 1.303 57.341 56.100 -0.104 0.000 0.945 189 R CB 0.184 30.442 30.300 -0.071 0.000 0.845 189 R HN 0.493 nan 8.270 nan 0.000 0.430 190 R N -0.253 120.170 120.500 -0.130 0.000 2.561 190 R HA 0.429 4.768 4.340 -0.001 0.000 0.297 190 R C -1.605 174.587 176.300 -0.178 0.000 0.969 190 R CA -0.524 55.505 56.100 -0.118 0.000 0.879 190 R CB 2.801 33.056 30.300 -0.075 0.000 1.178 190 R HN 0.000 nan 8.270 nan 0.000 0.445 191 V N 4.374 124.174 119.914 -0.189 0.000 2.808 191 V HA 0.500 4.619 4.120 -0.001 0.000 0.308 191 V C -1.778 174.231 176.094 -0.141 0.000 1.099 191 V CA -0.992 61.147 62.300 -0.269 0.000 0.920 191 V CB 2.128 33.597 31.823 -0.590 0.000 1.014 191 V HN 0.608 nan 8.190 nan 0.000 0.425 192 L N 6.319 127.477 121.223 -0.108 0.000 2.272 192 L HA 0.771 5.110 4.340 -0.001 0.000 0.289 192 L C 0.293 177.152 176.870 -0.018 0.000 1.032 192 L CA 0.397 55.223 54.840 -0.023 0.000 0.810 192 L CB 1.699 43.763 42.059 0.009 0.000 1.205 192 L HN 0.924 nan 8.230 nan 0.000 0.422 193 T N 2.534 117.110 114.554 0.037 0.000 2.749 193 T HA 0.611 4.960 4.350 -0.001 0.000 0.287 193 T C -0.259 174.479 174.700 0.064 0.000 0.970 193 T CA -0.719 61.414 62.100 0.055 0.000 0.980 193 T CB 0.897 69.834 68.868 0.115 0.000 0.924 193 T HN 0.312 nan 8.240 nan 0.000 0.456 194 V N 3.417 123.360 119.914 0.048 0.000 2.383 194 V HA 0.831 4.951 4.120 -0.001 0.000 0.275 194 V C 0.888 177.030 176.094 0.081 0.000 1.036 194 V CA 0.162 62.510 62.300 0.081 0.000 0.889 194 V CB 0.236 32.091 31.823 0.053 0.000 0.985 194 V HN 1.486 nan 8.190 nan 0.000 0.459 195 G N 3.382 112.265 108.800 0.139 0.000 2.316 195 G HA2 0.371 4.330 3.960 -0.001 0.000 0.468 195 G HA3 0.371 4.330 3.960 -0.001 0.000 0.468 195 G C 0.068 175.004 174.900 0.060 0.000 1.523 195 G CA -0.314 44.876 45.100 0.150 0.000 0.972 195 G HN 1.014 nan 8.290 nan 0.000 0.667 196 G N -0.542 108.173 108.800 -0.140 0.000 3.453 196 G HA2 0.622 4.582 3.960 -0.001 0.000 0.263 196 G HA3 0.622 4.582 3.960 -0.001 0.000 0.263 196 G C 0.849 175.550 174.900 -0.333 0.000 1.060 196 G CA 1.154 45.923 45.100 -0.551 0.000 0.793 196 G HN 1.295 nan 8.290 nan 0.000 0.532 197 G N 0.092 108.816 108.800 -0.127 0.000 2.543 197 G HA2 0.391 4.350 3.960 -0.001 0.000 0.290 197 G HA3 0.391 4.350 3.960 -0.001 0.000 0.290 197 G C 0.852 175.771 174.900 0.031 0.000 1.310 197 G CA -0.323 44.793 45.100 0.026 0.000 1.025 197 G HN 0.244 nan 8.290 nan 0.000 0.502 198 F N -1.164 118.797 119.950 0.019 0.000 2.234 198 F HA 0.073 4.600 4.527 -0.001 0.000 0.299 198 F C 2.068 177.891 175.800 0.039 0.000 1.087 198 F CA 0.845 58.839 58.000 -0.009 0.000 1.340 198 F CB -0.472 38.557 39.000 0.048 0.000 1.031 198 F HN 0.177 nan 8.300 nan 0.000 0.500 199 I N -0.042 120.083 120.570 -0.741 0.000 2.286 199 I HA -0.218 3.952 4.170 -0.001 0.000 0.245 199 I C 2.816 178.891 176.117 -0.070 0.000 1.104 199 I CA 1.340 62.341 61.300 -0.498 0.000 1.397 199 I CB -0.610 37.051 38.000 -0.564 0.000 1.072 199 I HN 0.351 nan 8.210 nan 0.000 0.417 200 S N 0.413 116.065 115.700 -0.080 0.000 2.356 200 S HA -0.140 4.330 4.470 -0.001 0.000 0.223 200 S C 2.107 176.732 174.600 0.042 0.000 1.032 200 S CA 1.411 59.618 58.200 0.012 0.000 1.005 200 S CB -0.192 63.002 63.200 -0.010 0.000 0.867 200 S HN 0.216 nan 8.310 nan 0.000 0.449 201 V N 1.615 121.524 119.914 -0.007 0.000 2.295 201 V HA -0.139 3.981 4.120 -0.001 0.000 0.246 201 V C 2.445 178.539 176.094 0.000 0.000 1.049 201 V CA 2.114 64.407 62.300 -0.011 0.000 1.024 201 V CB -0.767 31.023 31.823 -0.055 0.000 0.648 201 V HN 0.519 nan 8.190 nan 0.000 0.447 202 E N -0.669 119.530 120.200 -0.002 0.000 2.072 202 E HA -0.189 4.161 4.350 -0.001 0.000 0.191 202 E C 2.076 178.575 176.600 -0.168 0.000 0.985 202 E CA 1.360 57.727 56.400 -0.055 0.000 0.801 202 E CB -0.194 29.482 29.700 -0.040 0.000 0.750 202 E HN 0.564 nan 8.360 nan 0.000 0.452 203 F N 0.829 120.690 119.950 -0.149 0.000 2.186 203 F HA -0.143 4.383 4.527 -0.001 0.000 0.299 203 F C 2.330 178.029 175.800 -0.168 0.000 1.090 203 F CA 1.060 58.887 58.000 -0.288 0.000 1.307 203 F CB -0.424 38.400 39.000 -0.293 0.000 1.019 203 F HN 0.004 nan 8.300 nan 0.000 0.489 204 A N 0.093 123.017 122.820 0.174 0.000 1.908 204 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 204 A C 2.568 180.226 177.584 0.124 0.000 1.181 204 A CA 1.910 54.064 52.037 0.194 0.000 0.627 204 A CB -1.618 17.450 19.000 0.114 0.000 0.818 204 A HN 0.411 nan 8.150 nan 0.000 0.445 205 G N -0.333 108.490 108.800 0.038 0.000 2.408 205 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.217 205 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.217 205 G C 1.525 176.450 174.900 0.042 0.000 1.150 205 G CA 1.087 46.201 45.100 0.023 0.000 0.776 205 G HN 0.486 nan 8.290 nan 0.000 0.542 206 I N -0.338 120.208 120.570 -0.041 0.000 2.233 206 I HA -0.029 4.141 4.170 -0.001 0.000 0.243 206 I C 2.360 178.588 176.117 0.186 0.000 1.093 206 I CA 0.651 61.946 61.300 -0.008 0.000 1.380 206 I CB -0.203 37.612 38.000 -0.309 0.000 1.067 206 I HN 0.033 nan 8.210 nan 0.000 0.413 207 F N 1.053 121.118 119.950 0.191 0.000 2.171 207 F HA -0.221 4.305 4.527 -0.001 0.000 0.300 207 F C 2.324 178.181 175.800 0.096 0.000 1.090 207 F CA 1.401 59.468 58.000 0.112 0.000 1.293 207 F CB -1.277 37.742 39.000 0.032 0.000 1.013 207 F HN 0.144 nan 8.300 nan 0.000 0.486 208 N N 0.360 119.221 118.700 0.269 0.000 2.205 208 N HA -0.165 4.575 4.740 -0.001 0.000 0.186 208 N C 1.752 177.335 175.510 0.121 0.000 1.015 208 N CA 1.375 54.515 53.050 0.150 0.000 0.862 208 N CB -0.241 38.304 38.487 0.096 0.000 0.986 208 N HN 0.207 nan 8.380 nan 0.000 0.429 209 A N -1.341 121.568 122.820 0.148 0.000 1.935 209 A HA 0.021 4.340 4.320 -0.001 0.000 0.214 209 A C 1.370 178.914 177.584 -0.067 0.000 1.178 209 A CA 0.756 52.813 52.037 0.032 0.000 0.640 209 A CB -0.569 18.439 19.000 0.013 0.000 0.825 209 A HN 0.451 nan 8.150 nan 0.000 0.447 210 Y N 1.000 121.403 120.300 0.172 0.000 2.457 210 Y HA 0.117 4.666 4.550 -0.001 0.000 0.263 210 Y C 0.871 176.838 175.900 0.110 0.000 1.164 210 Y CA -0.001 58.223 58.100 0.206 0.000 1.274 210 Y CB 0.120 38.830 38.460 0.416 0.000 1.097 210 Y HN 0.305 nan 8.280 nan 0.000 0.523 211 K N 1.635 122.132 120.400 0.162 0.000 2.436 211 K HA 0.148 4.467 4.320 -0.001 0.000 0.275 211 K C -2.723 173.905 176.600 0.046 0.000 0.999 211 K CA -1.583 54.742 56.287 0.064 0.000 0.980 211 K CB -0.077 32.445 32.500 0.037 0.000 0.919 211 K HN -0.075 nan 8.250 nan 0.000 0.484 212 P HA 0.073 nan 4.420 nan 0.000 0.273 212 P C -1.937 175.371 177.300 0.014 0.000 1.250 212 P CA -1.453 61.661 63.100 0.023 0.000 0.793 212 P CB -0.227 31.477 31.700 0.007 0.000 1.011 213 P HA -0.188 nan 4.420 nan 0.000 0.219 213 P C 1.237 178.540 177.300 0.005 0.000 1.161 213 P CA 2.202 65.309 63.100 0.013 0.000 0.909 213 P CB -0.634 31.074 31.700 0.014 0.000 0.793 214 G N -0.892 107.907 108.800 -0.001 0.000 3.440 214 G HA2 0.337 4.296 3.960 -0.001 0.000 0.263 214 G HA3 0.337 4.296 3.960 -0.001 0.000 0.263 214 G C 0.690 175.583 174.900 -0.011 0.000 1.236 214 G CA 0.153 45.250 45.100 -0.006 0.000 0.927 214 G HN 0.451 nan 8.290 nan 0.000 0.530 215 G N -0.259 108.535 108.800 -0.011 0.000 2.547 215 G HA2 0.553 4.513 3.960 -0.001 0.000 0.291 215 G HA3 0.553 4.513 3.960 -0.001 0.000 0.291 215 G C -0.768 174.122 174.900 -0.017 0.000 1.211 215 G CA -0.584 44.503 45.100 -0.021 0.000 0.950 215 G HN 0.291 nan 8.290 nan 0.000 0.504 216 K N -0.903 119.482 120.400 -0.026 0.000 2.543 216 K HA 0.467 4.786 4.320 -0.001 0.000 0.255 216 K C -1.355 175.232 176.600 -0.022 0.000 0.934 216 K CA -0.532 55.745 56.287 -0.017 0.000 0.810 216 K CB 2.060 34.549 32.500 -0.019 0.000 1.315 216 K HN 0.329 nan 8.250 nan 0.000 0.433 217 V N 3.561 123.476 119.914 0.002 0.000 2.394 217 V HA 0.541 4.660 4.120 -0.001 0.000 0.282 217 V C -0.513 175.590 176.094 0.015 0.000 1.031 217 V CA -0.461 61.849 62.300 0.018 0.000 0.881 217 V CB 1.574 33.443 31.823 0.077 0.000 0.982 217 V HN 0.862 nan 8.190 nan 0.000 0.451 218 T N 6.330 120.892 114.554 0.014 0.000 2.829 218 T HA 0.606 4.955 4.350 -0.001 0.000 0.280 218 T C -0.615 174.111 174.700 0.044 0.000 0.999 218 T CA -0.346 61.767 62.100 0.021 0.000 0.983 218 T CB 1.641 70.522 68.868 0.023 0.000 0.968 218 T HN 0.540 nan 8.240 nan 0.000 0.446 219 L N 3.927 125.175 121.223 0.042 0.000 2.322 219 L HA 0.783 5.123 4.340 -0.001 0.000 0.281 219 L C -0.394 176.518 176.870 0.070 0.000 1.014 219 L CA -0.642 54.234 54.840 0.060 0.000 0.815 219 L CB 0.457 42.544 42.059 0.047 0.000 1.247 219 L HN 0.986 nan 8.230 nan 0.000 0.421 220 C N 2.672 122.040 119.300 0.115 0.000 2.614 220 C HA 0.772 5.231 4.460 -0.001 0.000 0.320 220 C C -0.894 174.225 174.990 0.216 0.000 1.200 220 C CA -0.966 58.129 59.018 0.130 0.000 1.700 220 C CB 1.122 28.970 27.740 0.181 0.000 2.275 220 C HN 0.841 nan 8.230 nan 0.000 0.492 221 Y N 1.804 122.119 120.300 0.024 0.000 2.482 221 Y HA 0.511 5.060 4.550 -0.001 0.000 0.334 221 Y C 1.086 177.001 175.900 0.026 0.000 1.091 221 Y CA -1.033 57.084 58.100 0.029 0.000 1.027 221 Y CB 1.406 39.877 38.460 0.019 0.000 1.306 221 Y HN 0.920 nan 8.280 nan 0.000 0.446 222 R N 1.965 122.115 120.500 -0.584 0.000 2.193 222 R HA 0.111 4.451 4.340 -0.001 0.000 0.213 222 R C -0.650 175.347 176.300 -0.506 0.000 1.055 222 R CA 0.965 56.813 56.100 -0.421 0.000 0.995 222 R CB -0.221 29.924 30.300 -0.258 0.000 0.893 222 R HN 0.627 nan 8.270 nan 0.000 0.459 223 N N 0.939 119.064 118.700 -0.957 0.000 2.681 223 N HA 0.044 4.784 4.740 -0.001 0.000 0.311 223 N C 0.187 175.586 175.510 -0.186 0.000 1.303 223 N CA -0.459 52.311 53.050 -0.467 0.000 0.926 223 N CB 0.314 38.615 38.487 -0.310 0.000 1.136 223 N HN 0.088 nan 8.380 nan 0.000 0.592 224 N N 0.278 118.991 118.700 0.021 0.000 2.325 224 N HA 0.030 4.769 4.740 -0.001 0.000 0.182 224 N C -0.691 174.898 175.510 0.133 0.000 1.088 224 N CA 0.395 53.479 53.050 0.058 0.000 0.879 224 N CB 0.352 38.851 38.487 0.020 0.000 0.983 224 N HN 0.332 nan 8.380 nan 0.000 0.471 225 L N 1.784 123.152 121.223 0.242 0.000 2.562 225 L HA 0.457 4.796 4.340 -0.001 0.000 0.266 225 L C -0.347 176.608 176.870 0.142 0.000 0.949 225 L CA -1.030 53.912 54.840 0.170 0.000 0.879 225 L CB 1.635 43.753 42.059 0.098 0.000 1.278 225 L HN 0.145 nan 8.230 nan 0.000 0.404 226 I N 2.234 122.794 120.570 -0.016 0.000 3.246 226 I HA 0.244 4.413 4.170 -0.001 0.000 0.280 226 I C 0.411 176.408 176.117 -0.201 0.000 1.239 226 I CA -0.512 60.614 61.300 -0.291 0.000 1.336 226 I CB 0.150 38.014 38.000 -0.226 0.000 1.383 226 I HN 0.749 nan 8.210 nan 0.000 0.617 227 L N 1.197 122.271 121.223 -0.248 0.000 3.601 227 L HA -0.181 4.158 4.340 -0.001 0.000 0.469 227 L C 0.308 177.278 176.870 0.167 0.000 1.294 227 L CA 0.165 54.975 54.840 -0.050 0.000 0.829 227 L CB -1.595 40.323 42.059 -0.235 0.000 1.628 227 L HN 0.732 nan 8.230 nan 0.000 0.868 228 R N 0.796 121.353 120.500 0.094 0.000 2.566 228 R HA 0.159 4.499 4.340 -0.001 0.000 0.273 228 R C 1.413 177.822 176.300 0.181 0.000 0.981 228 R CA 1.031 57.216 56.100 0.142 0.000 1.091 228 R CB 0.188 30.573 30.300 0.141 0.000 0.924 228 R HN 0.607 nan 8.270 nan 0.000 0.411 229 G N 1.767 110.618 108.800 0.085 0.000 2.254 229 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.225 229 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.225 229 G C -0.031 174.751 174.900 -0.197 0.000 1.003 229 G CA -0.386 44.672 45.100 -0.070 0.000 0.622 229 G HN 0.476 nan 8.290 nan 0.000 0.507 230 F N 1.657 121.583 119.950 -0.040 0.000 2.380 230 F HA 0.491 5.018 4.527 -0.001 0.000 0.319 230 F C 0.952 176.674 175.800 -0.131 0.000 1.113 230 F CA -0.367 57.591 58.000 -0.070 0.000 1.056 230 F CB 0.498 39.467 39.000 -0.051 0.000 1.289 230 F HN 0.012 nan 8.300 nan 0.000 0.515 231 D N 1.494 121.881 120.400 -0.022 0.000 2.531 231 D HA -0.114 4.526 4.640 -0.001 0.000 0.239 231 D C 0.959 177.248 176.300 -0.020 0.000 1.144 231 D CA 0.189 54.092 54.000 -0.161 0.000 0.869 231 D CB 0.916 41.556 40.800 -0.265 0.000 1.160 231 D HN 0.760 nan 8.370 nan 0.000 0.484 232 E N 2.558 122.749 120.200 -0.014 0.000 2.085 232 E HA -0.204 4.146 4.350 -0.001 0.000 0.194 232 E C 1.416 178.028 176.600 0.019 0.000 0.994 232 E CA 2.106 58.517 56.400 0.019 0.000 0.801 232 E CB -0.021 29.698 29.700 0.031 0.000 0.743 232 E HN 0.552 nan 8.360 nan 0.000 0.453 233 T N 0.815 115.386 114.554 0.027 0.000 2.708 233 T HA -0.129 4.220 4.350 -0.001 0.000 0.266 233 T C 1.914 176.615 174.700 0.001 0.000 1.037 233 T CA 1.617 63.733 62.100 0.027 0.000 1.146 233 T CB -0.292 68.610 68.868 0.056 0.000 0.865 233 T HN 0.181 nan 8.240 nan 0.000 0.435 234 I N 0.729 121.295 120.570 -0.006 0.000 2.252 234 I HA -0.164 4.005 4.170 -0.001 0.000 0.245 234 I C 2.787 178.874 176.117 -0.051 0.000 1.102 234 I CA 1.183 62.461 61.300 -0.036 0.000 1.385 234 I CB -0.334 37.653 38.000 -0.023 0.000 1.064 234 I HN 0.157 nan 8.210 nan 0.000 0.414 235 R N 0.871 121.356 120.500 -0.027 0.000 2.094 235 R HA -0.232 4.107 4.340 -0.001 0.000 0.239 235 R C 2.194 178.471 176.300 -0.038 0.000 1.137 235 R CA 1.924 58.001 56.100 -0.039 0.000 0.943 235 R CB -0.457 29.843 30.300 -0.000 0.000 0.850 235 R HN 0.433 nan 8.270 nan 0.000 0.433 236 E N 0.033 120.222 120.200 -0.018 0.000 2.077 236 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 236 E C 2.077 178.662 176.600 -0.026 0.000 0.989 236 E CA 0.768 57.159 56.400 -0.016 0.000 0.800 236 E CB 0.051 29.748 29.700 -0.005 0.000 0.746 236 E HN 0.223 nan 8.360 nan 0.000 0.452 237 E N 0.496 120.677 120.200 -0.032 0.000 2.106 237 E HA -0.117 4.232 4.350 -0.001 0.000 0.192 237 E C 2.143 178.712 176.600 -0.051 0.000 0.984 237 E CA 0.401 56.779 56.400 -0.037 0.000 0.806 237 E CB -0.278 29.393 29.700 -0.049 0.000 0.750 237 E HN 0.087 nan 8.360 nan 0.000 0.458 238 V N 0.829 120.699 119.914 -0.073 0.000 2.427 238 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 238 V C 1.986 178.039 176.094 -0.070 0.000 1.051 238 V CA 2.238 64.487 62.300 -0.086 0.000 1.048 238 V CB -0.511 31.234 31.823 -0.130 0.000 0.666 238 V HN 0.304 nan 8.190 nan 0.000 0.456 239 T N 0.002 114.519 114.554 -0.062 0.000 2.635 239 T HA -0.280 4.069 4.350 -0.001 0.000 0.267 239 T C 1.864 176.533 174.700 -0.052 0.000 1.040 239 T CA 2.145 64.214 62.100 -0.051 0.000 1.156 239 T CB -0.284 68.563 68.868 -0.036 0.000 0.863 239 T HN 0.502 nan 8.240 nan 0.000 0.430 240 K N 0.725 121.098 120.400 -0.045 0.000 2.097 240 K HA -0.089 4.230 4.320 -0.001 0.000 0.206 240 K C 2.640 179.197 176.600 -0.071 0.000 1.049 240 K CA 1.238 57.495 56.287 -0.050 0.000 0.933 240 K CB -0.127 32.358 32.500 -0.025 0.000 0.717 240 K HN 0.475 nan 8.250 nan 0.000 0.442 241 Q N 0.414 120.190 119.800 -0.040 0.000 2.187 241 Q HA -0.021 4.319 4.340 -0.001 0.000 0.199 241 Q C 2.166 178.112 176.000 -0.089 0.000 0.957 241 Q CA 0.687 56.479 55.803 -0.017 0.000 0.857 241 Q CB 0.052 28.842 28.738 0.086 0.000 0.929 241 Q HN 0.285 nan 8.270 nan 0.000 0.453 242 L N 0.082 121.261 121.223 -0.073 0.000 2.027 242 L HA -0.176 4.163 4.340 -0.001 0.000 0.206 242 L C 2.405 179.213 176.870 -0.103 0.000 1.074 242 L CA 1.305 56.102 54.840 -0.071 0.000 0.745 242 L CB -0.712 41.315 42.059 -0.053 0.000 0.898 242 L HN 0.215 nan 8.230 nan 0.000 0.433 243 T N 0.078 114.568 114.554 -0.108 0.000 2.699 243 T HA -0.244 4.106 4.350 -0.001 0.000 0.268 243 T C 1.940 176.527 174.700 -0.189 0.000 1.036 243 T CA 1.483 63.512 62.100 -0.118 0.000 1.147 243 T CB -0.327 68.484 68.868 -0.096 0.000 0.862 243 T HN 0.465 nan 8.240 nan 0.000 0.446 244 A N 1.527 124.163 122.820 -0.306 0.000 2.019 244 A HA -0.066 4.253 4.320 -0.001 0.000 0.219 244 A C 2.012 179.274 177.584 -0.537 0.000 1.164 244 A CA 1.325 53.038 52.037 -0.541 0.000 0.644 244 A CB -0.478 17.897 19.000 -1.041 0.000 0.805 244 A HN 0.393 nan 8.150 nan 0.000 0.449 245 N N -0.922 117.567 118.700 -0.351 0.000 2.276 245 N HA 0.233 4.972 4.740 -0.001 0.000 0.212 245 N C 0.889 176.339 175.510 -0.100 0.000 1.127 245 N CA 0.881 53.821 53.050 -0.184 0.000 0.834 245 N CB 0.055 38.495 38.487 -0.078 0.000 1.014 245 N HN 0.530 nan 8.380 nan 0.000 0.491 246 G N 0.097 108.831 108.800 -0.110 0.000 2.157 246 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.248 246 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.248 246 G C 0.040 174.915 174.900 -0.042 0.000 0.979 246 G CA -0.004 45.057 45.100 -0.065 0.000 0.650 246 G HN 0.323 nan 8.290 nan 0.000 0.529 247 I N 0.952 121.495 120.570 -0.044 0.000 2.395 247 I HA 0.405 4.574 4.170 -0.001 0.000 0.289 247 I C 0.495 176.594 176.117 -0.030 0.000 1.023 247 I CA -0.603 60.684 61.300 -0.022 0.000 1.350 247 I CB 1.387 39.381 38.000 -0.009 0.000 1.409 247 I HN 0.175 nan 8.210 nan 0.000 0.507 248 E N 7.135 127.323 120.200 -0.021 0.000 2.130 248 E HA 0.369 4.718 4.350 -0.001 0.000 0.284 248 E C -1.091 175.495 176.600 -0.023 0.000 1.018 248 E CA -0.282 56.100 56.400 -0.029 0.000 0.817 248 E CB 0.683 30.365 29.700 -0.031 0.000 1.078 248 E HN 0.371 nan 8.360 nan 0.000 0.396 249 I N 5.685 126.238 120.570 -0.028 0.000 2.291 249 I HA 0.206 4.375 4.170 -0.001 0.000 0.290 249 I C -0.104 175.994 176.117 -0.031 0.000 1.050 249 I CA 0.070 61.359 61.300 -0.017 0.000 1.245 249 I CB 0.711 38.703 38.000 -0.013 0.000 1.405 249 I HN 0.528 nan 8.210 nan 0.000 0.478 250 M N 6.778 126.353 119.600 -0.040 0.000 2.080 250 M HA 0.282 4.762 4.480 -0.001 0.000 0.350 250 M C 0.112 176.386 176.300 -0.044 0.000 1.143 250 M CA -0.518 54.726 55.300 -0.094 0.000 1.064 250 M CB 0.588 33.063 32.600 -0.209 0.000 1.429 250 M HN 0.565 nan 8.290 nan 0.000 0.418 251 T N -1.128 113.414 114.554 -0.020 0.000 2.881 251 T HA 0.351 4.700 4.350 -0.001 0.000 0.278 251 T C 0.791 175.457 174.700 -0.056 0.000 0.982 251 T CA -0.816 61.293 62.100 0.015 0.000 0.989 251 T CB 0.728 69.633 68.868 0.061 0.000 1.058 251 T HN 0.737 nan 8.240 nan 0.000 0.529 252 N N 0.757 119.406 118.700 -0.085 0.000 2.721 252 N HA -0.143 4.596 4.740 -0.001 0.000 0.249 252 N C -0.772 174.679 175.510 -0.100 0.000 1.072 252 N CA 0.919 53.907 53.050 -0.104 0.000 0.710 252 N CB -0.783 37.660 38.487 -0.073 0.000 0.993 252 N HN 0.736 nan 8.380 nan 0.000 0.547 253 E N 0.436 120.576 120.200 -0.100 0.000 2.293 253 E HA 0.482 4.831 4.350 -0.001 0.000 0.270 253 E C -0.640 176.005 176.600 0.074 0.000 0.879 253 E CA -0.608 55.744 56.400 -0.080 0.000 0.756 253 E CB 2.214 31.713 29.700 -0.335 0.000 1.208 253 E HN 0.185 nan 8.360 nan 0.000 0.428 254 N N 1.936 120.774 118.700 0.230 0.000 2.336 254 N HA 0.372 5.112 4.740 -0.001 0.000 0.290 254 N C -3.002 172.662 175.510 0.256 0.000 1.058 254 N CA -1.801 51.387 53.050 0.231 0.000 0.865 254 N CB 2.097 40.626 38.487 0.069 0.000 1.581 254 N HN -0.004 nan 8.380 nan 0.000 0.480 255 P HA 0.175 nan 4.420 nan 0.000 0.271 255 P C -0.458 176.760 177.300 -0.137 0.000 1.226 255 P CA -0.024 62.910 63.100 -0.276 0.000 0.765 255 P CB 1.088 32.616 31.700 -0.286 0.000 0.835 256 A N 4.849 127.580 122.820 -0.147 0.000 1.984 256 A HA 0.088 4.407 4.320 -0.001 0.000 0.214 256 A C 0.600 178.130 177.584 -0.090 0.000 1.173 256 A CA 1.261 53.251 52.037 -0.079 0.000 0.673 256 A CB -0.313 18.662 19.000 -0.042 0.000 0.830 256 A HN 0.601 nan 8.150 nan 0.000 0.453 257 K N -2.703 117.613 120.400 -0.139 0.000 2.642 257 K HA 0.613 4.933 4.320 -0.001 0.000 0.290 257 K C -1.875 174.652 176.600 -0.121 0.000 1.006 257 K CA -0.826 55.405 56.287 -0.093 0.000 0.869 257 K CB 1.423 33.898 32.500 -0.042 0.000 1.499 257 K HN -0.070 nan 8.250 nan 0.000 0.403 258 V N 1.355 121.244 119.914 -0.042 0.000 2.638 258 V HA 0.604 4.724 4.120 -0.001 0.000 0.306 258 V C -0.739 175.406 176.094 0.085 0.000 1.052 258 V CA -0.375 61.913 62.300 -0.020 0.000 0.885 258 V CB 1.614 33.444 31.823 0.011 0.000 0.999 258 V HN 1.024 nan 8.190 nan 0.000 0.424 259 S N 4.540 120.257 115.700 0.027 0.000 2.740 259 S HA 0.807 5.277 4.470 -0.001 0.000 0.300 259 S C -0.982 173.507 174.600 -0.185 0.000 1.147 259 S CA -0.991 57.191 58.200 -0.030 0.000 0.871 259 S CB 1.743 64.963 63.200 0.033 0.000 1.173 259 S HN 0.461 nan 8.310 nan 0.000 0.510 260 L N 2.066 123.127 121.223 -0.270 0.000 2.289 260 L HA 0.453 4.792 4.340 -0.001 0.000 0.285 260 L C 0.121 176.918 176.870 -0.120 0.000 1.049 260 L CA -0.903 53.793 54.840 -0.241 0.000 0.804 260 L CB 0.792 42.691 42.059 -0.267 0.000 1.195 260 L HN 0.657 nan 8.230 nan 0.000 0.428 261 N N 0.562 119.208 118.700 -0.091 0.000 2.317 261 N HA 0.058 4.797 4.740 -0.001 0.000 0.245 261 N C 1.195 176.659 175.510 -0.076 0.000 1.294 261 N CA 0.184 53.181 53.050 -0.089 0.000 0.924 261 N CB 0.836 39.277 38.487 -0.077 0.000 1.186 261 N HN 0.632 nan 8.380 nan 0.000 0.495 262 T N -2.610 111.903 114.554 -0.067 0.000 2.915 262 T HA -0.154 4.195 4.350 -0.001 0.000 0.269 262 T C 0.840 175.514 174.700 -0.043 0.000 1.071 262 T CA 1.063 63.132 62.100 -0.051 0.000 1.132 262 T CB -0.247 68.594 68.868 -0.045 0.000 0.878 262 T HN 0.588 nan 8.240 nan 0.000 0.479 263 D N 0.992 121.366 120.400 -0.044 0.000 2.336 263 D HA 0.244 4.884 4.640 -0.001 0.000 0.229 263 D C 1.644 177.920 176.300 -0.040 0.000 1.061 263 D CA 0.538 54.517 54.000 -0.036 0.000 0.875 263 D CB -0.741 40.040 40.800 -0.032 0.000 0.904 263 D HN 0.591 nan 8.370 nan 0.000 0.525 264 G N -0.042 108.727 108.800 -0.052 0.000 2.213 264 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.236 264 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.236 264 G C 0.498 175.356 174.900 -0.070 0.000 0.991 264 G CA 0.361 45.427 45.100 -0.057 0.000 0.629 264 G HN 0.843 nan 8.290 nan 0.000 0.517 265 S N -0.211 115.452 115.700 -0.062 0.000 2.608 265 S HA 0.657 5.127 4.470 -0.001 0.000 0.261 265 S C 0.038 174.593 174.600 -0.074 0.000 1.314 265 S CA 0.147 58.311 58.200 -0.061 0.000 0.992 265 S CB 1.480 64.654 63.200 -0.042 0.000 0.935 265 S HN 0.343 nan 8.310 nan 0.000 0.564 266 K N 1.045 121.403 120.400 -0.070 0.000 2.183 266 K HA 0.367 4.686 4.320 -0.001 0.000 0.274 266 K C -0.819 175.771 176.600 -0.016 0.000 1.009 266 K CA -0.267 55.974 56.287 -0.076 0.000 0.888 266 K CB 0.741 33.189 32.500 -0.087 0.000 1.078 266 K HN 0.737 nan 8.250 nan 0.000 0.459 267 H N 1.836 120.840 119.070 -0.111 0.000 2.581 267 H HA 0.415 4.970 4.556 -0.001 0.000 0.308 267 H C -1.159 174.104 175.328 -0.109 0.000 1.040 267 H CA -0.666 55.330 56.048 -0.087 0.000 1.231 267 H CB 0.489 30.207 29.762 -0.074 0.000 1.396 267 H HN 0.250 nan 8.280 nan 0.000 0.467 268 V N 5.638 125.269 119.914 -0.473 0.000 2.394 268 V HA 0.301 4.420 4.120 -0.001 0.000 0.282 268 V C 0.114 175.826 176.094 -0.637 0.000 1.031 268 V CA -0.600 61.399 62.300 -0.501 0.000 0.881 268 V CB 1.630 33.142 31.823 -0.518 0.000 0.982 268 V HN 0.875 nan 8.190 nan 0.000 0.451 269 T N 5.739 119.985 114.554 -0.513 0.000 2.771 269 T HA 0.609 4.958 4.350 -0.001 0.000 0.281 269 T C -0.410 174.060 174.700 -0.383 0.000 0.982 269 T CA -0.094 61.806 62.100 -0.334 0.000 0.978 269 T CB 0.543 69.324 68.868 -0.145 0.000 0.930 269 T HN 0.265 nan 8.240 nan 0.000 0.447 270 F N 1.210 121.114 119.950 -0.077 0.000 2.370 270 F HA 0.295 4.821 4.527 -0.001 0.000 0.324 270 F C 1.973 177.750 175.800 -0.038 0.000 1.116 270 F CA -0.733 57.235 58.000 -0.053 0.000 1.123 270 F CB 0.647 39.617 39.000 -0.051 0.000 1.238 270 F HN 0.652 nan 8.300 nan 0.000 0.536 271 E N 0.277 120.574 120.200 0.161 0.000 2.130 271 E HA -0.230 4.120 4.350 -0.001 0.000 0.196 271 E C 2.110 178.757 176.600 0.078 0.000 0.998 271 E CA 1.825 58.276 56.400 0.084 0.000 0.806 271 E CB -0.206 29.529 29.700 0.059 0.000 0.738 271 E HN 0.668 nan 8.360 nan 0.000 0.459 272 S N -0.570 115.187 115.700 0.095 0.000 2.465 272 S HA -0.082 4.387 4.470 -0.001 0.000 0.241 272 S C 1.800 176.435 174.600 0.058 0.000 1.000 272 S CA 0.841 59.072 58.200 0.052 0.000 0.964 272 S CB -0.221 62.987 63.200 0.015 0.000 0.763 272 S HN 0.485 nan 8.310 nan 0.000 0.512 273 G N 0.766 109.620 108.800 0.091 0.000 2.176 273 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.253 273 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.253 273 G C 0.071 175.027 174.900 0.094 0.000 0.979 273 G CA 0.341 45.487 45.100 0.077 0.000 0.641 273 G HN 0.806 nan 8.290 nan 0.000 0.530 274 K N 1.477 121.946 120.400 0.116 0.000 2.380 274 K HA 0.487 4.806 4.320 -0.001 0.000 0.267 274 K C 0.927 177.684 176.600 0.262 0.000 0.990 274 K CA 0.801 57.161 56.287 0.121 0.000 0.946 274 K CB 0.285 32.783 32.500 -0.002 0.000 0.937 274 K HN 0.451 nan 8.250 nan 0.000 0.491 275 T N 0.909 115.570 114.554 0.179 0.000 2.916 275 T HA 0.662 5.012 4.350 -0.001 0.000 0.292 275 T C -1.250 173.524 174.700 0.122 0.000 1.055 275 T CA -1.070 61.084 62.100 0.089 0.000 1.009 275 T CB 1.430 70.305 68.868 0.011 0.000 1.118 275 T HN 0.387 nan 8.240 nan 0.000 0.497 276 L N 0.971 122.200 121.223 0.010 0.000 2.526 276 L HA 0.559 4.898 4.340 -0.001 0.000 0.263 276 L C -1.970 174.896 176.870 -0.006 0.000 0.943 276 L CA -0.389 54.495 54.840 0.073 0.000 0.859 276 L CB 2.322 44.513 42.059 0.220 0.000 1.313 276 L HN 0.774 nan 8.230 nan 0.000 0.406 277 D N 4.016 124.440 120.400 0.041 0.000 2.193 277 D HA 0.666 5.305 4.640 -0.001 0.000 0.244 277 D C -0.506 175.791 176.300 -0.005 0.000 1.064 277 D CA 0.148 54.172 54.000 0.040 0.000 0.845 277 D CB 2.247 43.089 40.800 0.071 0.000 1.148 277 D HN 0.459 nan 8.370 nan 0.000 0.464 278 V N -0.896 118.998 119.914 -0.034 0.000 3.130 278 V HA 0.443 4.563 4.120 -0.001 0.000 0.310 278 V C 0.198 176.243 176.094 -0.082 0.000 1.158 278 V CA -0.773 61.488 62.300 -0.064 0.000 1.029 278 V CB 2.575 34.350 31.823 -0.078 0.000 1.057 278 V HN 0.286 nan 8.190 nan 0.000 0.436 279 D N 0.307 120.641 120.400 -0.111 0.000 2.305 279 D HA 0.198 4.837 4.640 -0.001 0.000 0.206 279 D C 0.191 176.407 176.300 -0.139 0.000 0.974 279 D CA 1.196 55.126 54.000 -0.117 0.000 0.871 279 D CB 1.436 42.159 40.800 -0.128 0.000 0.947 279 D HN 0.360 nan 8.370 nan 0.000 0.516 280 V N 1.229 121.034 119.914 -0.183 0.000 2.808 280 V HA 0.216 4.335 4.120 -0.001 0.000 0.308 280 V C -0.528 175.457 176.094 -0.182 0.000 1.099 280 V CA -0.805 61.377 62.300 -0.198 0.000 0.920 280 V CB 3.075 34.713 31.823 -0.308 0.000 1.014 280 V HN -0.269 nan 8.190 nan 0.000 0.425 281 V N 5.519 125.355 119.914 -0.129 0.000 2.334 281 V HA 0.467 4.586 4.120 -0.001 0.000 0.281 281 V C -0.020 176.011 176.094 -0.105 0.000 1.016 281 V CA -0.282 61.954 62.300 -0.107 0.000 0.832 281 V CB 1.453 33.228 31.823 -0.080 0.000 0.999 281 V HN 0.880 nan 8.190 nan 0.000 0.439 282 M N 6.402 125.937 119.600 -0.108 0.000 2.061 282 M HA 0.499 4.978 4.480 -0.001 0.000 0.346 282 M C -0.743 175.505 176.300 -0.086 0.000 1.112 282 M CA -0.448 54.784 55.300 -0.114 0.000 1.021 282 M CB 0.982 33.509 32.600 -0.122 0.000 1.530 282 M HN 0.466 nan 8.290 nan 0.000 0.437 283 M N 4.223 123.769 119.600 -0.090 0.000 2.162 283 M HA 0.324 4.803 4.480 -0.001 0.000 0.356 283 M C -0.072 176.178 176.300 -0.083 0.000 1.303 283 M CA 0.082 55.344 55.300 -0.063 0.000 1.116 283 M CB 0.737 33.305 32.600 -0.053 0.000 1.632 283 M HN 0.803 nan 8.290 nan 0.000 0.469 284 A N 4.699 127.487 122.820 -0.052 0.000 3.365 284 A HA 0.397 4.717 4.320 -0.001 0.000 0.258 284 A C 0.629 178.201 177.584 -0.021 0.000 0.964 284 A CA -0.473 51.522 52.037 -0.071 0.000 0.988 284 A CB -0.412 18.527 19.000 -0.101 0.000 1.193 284 A HN 0.948 nan 8.150 nan 0.000 0.508 285 I N -3.113 117.462 120.570 0.009 0.000 3.684 285 I HA 0.572 4.742 4.170 -0.001 0.000 0.304 285 I C 0.688 176.843 176.117 0.064 0.000 1.278 285 I CA 0.420 61.754 61.300 0.056 0.000 1.272 285 I CB 0.307 38.346 38.000 0.066 0.000 1.029 285 I HN 0.452 nan 8.210 nan 0.000 0.458 286 G N 0.985 109.809 108.800 0.040 0.000 2.350 286 G HA2 0.315 4.275 3.960 -0.001 0.000 0.304 286 G HA3 0.315 4.275 3.960 -0.001 0.000 0.304 286 G C -1.551 173.385 174.900 0.061 0.000 1.421 286 G CA -1.129 44.012 45.100 0.068 0.000 0.934 286 G HN 0.172 nan 8.290 nan 0.000 0.632 287 R N -0.510 120.047 120.500 0.095 0.000 2.621 287 R HA 0.707 5.046 4.340 -0.001 0.000 0.292 287 R C -0.090 176.292 176.300 0.137 0.000 0.969 287 R CA -0.852 55.314 56.100 0.110 0.000 0.887 287 R CB 2.093 32.468 30.300 0.125 0.000 1.180 287 R HN 0.733 nan 8.270 nan 0.000 0.450 288 I N -0.937 119.732 120.570 0.165 0.000 2.693 288 I HA 0.628 4.797 4.170 -0.001 0.000 0.303 288 I C -2.549 173.674 176.117 0.176 0.000 1.025 288 I CA -3.235 58.158 61.300 0.155 0.000 1.086 288 I CB 2.013 40.097 38.000 0.141 0.000 1.268 288 I HN 0.265 nan 8.210 nan 0.000 0.440 289 P HA 0.127 nan 4.420 nan 0.000 0.268 289 P C -0.913 176.463 177.300 0.127 0.000 1.205 289 P CA -0.140 63.038 63.100 0.129 0.000 0.771 289 P CB 0.446 32.204 31.700 0.096 0.000 0.858 290 R N 1.975 122.552 120.500 0.129 0.000 2.870 290 R HA 0.174 4.513 4.340 -0.001 0.000 0.254 290 R C 0.748 177.083 176.300 0.059 0.000 1.392 290 R CA 0.173 56.330 56.100 0.095 0.000 1.322 290 R CB -0.331 30.036 30.300 0.111 0.000 1.205 290 R HN 0.571 nan 8.270 nan 0.000 0.597 291 T N -2.244 112.337 114.554 0.046 0.000 2.955 291 T HA 0.044 4.393 4.350 -0.001 0.000 0.251 291 T C 1.359 176.068 174.700 0.015 0.000 1.002 291 T CA -0.195 61.925 62.100 0.034 0.000 0.970 291 T CB 0.163 69.053 68.868 0.036 0.000 1.091 291 T HN 0.275 nan 8.240 nan 0.000 0.495 292 N N 2.286 120.987 118.700 0.003 0.000 2.192 292 N HA -0.124 4.616 4.740 -0.001 0.000 0.188 292 N C 0.743 176.233 175.510 -0.032 0.000 1.013 292 N CA 1.631 54.670 53.050 -0.019 0.000 0.863 292 N CB -0.180 38.286 38.487 -0.035 0.000 0.990 292 N HN 0.510 nan 8.380 nan 0.000 0.430 293 D N 0.270 120.656 120.400 -0.023 0.000 2.349 293 D HA 0.061 4.700 4.640 -0.001 0.000 0.215 293 D C 1.800 178.105 176.300 0.009 0.000 1.016 293 D CA 0.044 54.029 54.000 -0.025 0.000 0.870 293 D CB 0.183 40.996 40.800 0.021 0.000 0.917 293 D HN 0.277 nan 8.370 nan 0.000 0.524 294 L N 0.218 121.449 121.223 0.013 0.000 2.418 294 L HA -0.025 4.315 4.340 -0.001 0.000 0.218 294 L C 0.270 177.141 176.870 0.001 0.000 1.125 294 L CA 0.283 55.132 54.840 0.016 0.000 0.835 294 L CB -0.051 42.020 42.059 0.020 0.000 0.953 294 L HN -0.124 nan 8.230 nan 0.000 0.454 295 Q N -0.361 119.434 119.800 -0.008 0.000 2.478 295 Q HA -0.220 4.120 4.340 -0.001 0.000 0.286 295 Q C 1.085 177.078 176.000 -0.011 0.000 1.299 295 Q CA 0.532 56.327 55.803 -0.014 0.000 0.826 295 Q CB -2.168 26.559 28.738 -0.018 0.000 1.199 295 Q HN 0.505 nan 8.270 nan 0.000 0.451 296 L N -1.468 119.751 121.223 -0.007 0.000 2.129 296 L HA -0.194 4.145 4.340 -0.001 0.000 0.212 296 L C 2.279 179.143 176.870 -0.010 0.000 1.087 296 L CA 1.773 56.609 54.840 -0.006 0.000 0.757 296 L CB -0.570 41.489 42.059 -0.000 0.000 0.896 296 L HN 0.531 nan 8.230 nan 0.000 0.434 297 G N 0.154 108.948 108.800 -0.010 0.000 2.442 297 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.219 297 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.219 297 G C 1.313 176.204 174.900 -0.014 0.000 1.141 297 G CA 0.777 45.870 45.100 -0.012 0.000 0.763 297 G HN 0.364 nan 8.290 nan 0.000 0.554 298 N N 0.209 118.899 118.700 -0.016 0.000 2.258 298 N HA -0.127 4.613 4.740 -0.001 0.000 0.187 298 N C 2.107 177.606 175.510 -0.019 0.000 1.012 298 N CA 1.769 54.809 53.050 -0.017 0.000 0.870 298 N CB -0.093 38.383 38.487 -0.018 0.000 0.977 298 N HN 0.485 nan 8.380 nan 0.000 0.434 299 V N -5.968 113.934 119.914 -0.020 0.000 3.502 299 V HA 0.557 4.676 4.120 -0.001 0.000 0.288 299 V C 1.122 177.202 176.094 -0.023 0.000 1.461 299 V CA 0.277 62.563 62.300 -0.025 0.000 1.029 299 V CB 0.212 32.016 31.823 -0.032 0.000 0.843 299 V HN 0.154 nan 8.190 nan 0.000 0.438 300 G N 1.072 109.861 108.800 -0.018 0.000 2.137 300 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.237 300 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.237 300 G C 0.048 174.939 174.900 -0.014 0.000 1.002 300 G CA 0.023 45.114 45.100 -0.015 0.000 0.702 300 G HN 0.840 nan 8.290 nan 0.000 0.515 301 V N 1.194 121.099 119.914 -0.015 0.000 2.509 301 V HA 0.134 4.253 4.120 -0.001 0.000 0.297 301 V C 1.149 177.242 176.094 -0.001 0.000 1.014 301 V CA 0.517 62.810 62.300 -0.011 0.000 1.127 301 V CB 0.756 32.572 31.823 -0.011 0.000 0.925 301 V HN 0.361 nan 8.190 nan 0.000 0.480 302 K N 5.390 125.792 120.400 0.002 0.000 2.174 302 K HA 0.527 4.847 4.320 -0.001 0.000 0.275 302 K C -0.575 176.033 176.600 0.013 0.000 1.015 302 K CA -0.508 55.784 56.287 0.007 0.000 0.933 302 K CB 1.243 33.747 32.500 0.008 0.000 1.025 302 K HN 0.493 nan 8.250 nan 0.000 0.463 303 L N 2.061 123.293 121.223 0.015 0.000 2.343 303 L HA 0.242 4.582 4.340 -0.001 0.000 0.275 303 L C 0.991 177.872 176.870 0.019 0.000 1.056 303 L CA -0.710 54.142 54.840 0.020 0.000 0.804 303 L CB 1.608 43.679 42.059 0.020 0.000 1.203 303 L HN 0.800 nan 8.230 nan 0.000 0.440 304 T N -1.254 113.313 114.554 0.022 0.000 2.813 304 T HA 0.169 4.519 4.350 -0.001 0.000 0.297 304 T C -1.713 172.999 174.700 0.020 0.000 1.036 304 T CA -1.387 60.724 62.100 0.019 0.000 1.044 304 T CB 0.771 69.650 68.868 0.019 0.000 0.993 304 T HN 0.367 nan 8.240 nan 0.000 0.535 305 P HA -0.155 nan 4.420 nan 0.000 0.217 305 P C 1.340 178.654 177.300 0.024 0.000 1.162 305 P CA 1.481 64.593 63.100 0.018 0.000 0.901 305 P CB 0.001 31.710 31.700 0.016 0.000 0.793 306 K N -2.022 118.393 120.400 0.026 0.000 2.442 306 K HA -0.030 4.290 4.320 -0.001 0.000 0.198 306 K C 1.372 177.995 176.600 0.040 0.000 1.044 306 K CA 0.978 57.285 56.287 0.033 0.000 0.948 306 K CB -0.545 31.976 32.500 0.033 0.000 0.762 306 K HN 0.287 nan 8.250 nan 0.000 0.472 307 G N -0.157 108.665 108.800 0.036 0.000 2.213 307 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.236 307 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.236 307 G C 0.357 175.283 174.900 0.045 0.000 0.991 307 G CA -0.131 44.993 45.100 0.041 0.000 0.629 307 G HN 0.530 nan 8.290 nan 0.000 0.517 308 G N -0.407 108.420 108.800 0.045 0.000 2.572 308 G HA2 0.556 4.515 3.960 -0.001 0.000 0.261 308 G HA3 0.556 4.515 3.960 -0.001 0.000 0.261 308 G C 0.451 175.376 174.900 0.041 0.000 1.197 308 G CA 0.212 45.341 45.100 0.048 0.000 0.870 308 G HN 0.983 nan 8.290 nan 0.000 0.548 309 V N 1.408 121.349 119.914 0.046 0.000 2.458 309 V HA -0.004 4.116 4.120 -0.001 0.000 0.287 309 V C 0.940 177.058 176.094 0.039 0.000 1.009 309 V CA 0.212 62.537 62.300 0.042 0.000 1.091 309 V CB 0.571 32.423 31.823 0.049 0.000 0.960 309 V HN 0.804 nan 8.190 nan 0.000 0.476 310 Q N 4.043 123.862 119.800 0.032 0.000 2.300 310 Q HA 0.365 4.704 4.340 -0.001 0.000 0.280 310 Q C -0.497 175.528 176.000 0.041 0.000 1.033 310 Q CA -0.100 55.721 55.803 0.030 0.000 0.903 310 Q CB 0.978 29.731 28.738 0.024 0.000 1.195 310 Q HN 0.806 nan 8.270 nan 0.000 0.386 311 V N 0.681 120.621 119.914 0.044 0.000 3.078 311 V HA 0.545 4.664 4.120 -0.001 0.000 0.311 311 V C -0.724 175.407 176.094 0.061 0.000 1.138 311 V CA -1.133 61.208 62.300 0.067 0.000 1.007 311 V CB 1.895 33.767 31.823 0.081 0.000 1.045 311 V HN 0.911 nan 8.190 nan 0.000 0.432 312 D N 0.467 120.924 120.400 0.094 0.000 2.506 312 D HA 0.267 4.907 4.640 -0.001 0.000 0.272 312 D C 0.743 177.091 176.300 0.081 0.000 1.214 312 D CA -0.287 53.774 54.000 0.100 0.000 1.067 312 D CB 0.572 41.465 40.800 0.153 0.000 1.117 312 D HN 0.682 nan 8.370 nan 0.000 0.578 313 E N -1.277 118.953 120.200 0.049 0.000 2.265 313 E HA -0.091 4.258 4.350 -0.001 0.000 0.196 313 E C 0.887 177.321 176.600 -0.276 0.000 0.996 313 E CA 0.727 57.055 56.400 -0.120 0.000 0.832 313 E CB -0.354 29.210 29.700 -0.228 0.000 0.756 313 E HN 0.392 nan 8.360 nan 0.000 0.491 314 F N 0.151 120.135 119.950 0.056 0.000 2.692 314 F HA 0.147 4.673 4.527 -0.001 0.000 0.303 314 F C 0.745 176.579 175.800 0.056 0.000 1.114 314 F CA -0.030 57.994 58.000 0.040 0.000 1.361 314 F CB 0.337 39.348 39.000 0.018 0.000 1.063 314 F HN -0.229 nan 8.300 nan 0.000 0.550 315 S N -0.315 115.486 115.700 0.168 0.000 3.382 315 S HA -0.233 4.237 4.470 -0.001 0.000 0.293 315 S C 0.428 175.188 174.600 0.267 0.000 1.262 315 S CA 0.331 58.637 58.200 0.176 0.000 0.969 315 S CB -1.448 61.838 63.200 0.144 0.000 1.136 315 S HN 0.465 nan 8.310 nan 0.000 0.635 316 R N 2.033 122.702 120.500 0.283 0.000 2.357 316 R HA 0.455 4.795 4.340 -0.001 0.000 0.296 316 R C 1.075 177.463 176.300 0.146 0.000 1.052 316 R CA 0.231 56.505 56.100 0.289 0.000 0.988 316 R CB 0.641 31.099 30.300 0.263 0.000 1.025 316 R HN 0.481 nan 8.270 nan 0.000 0.469 317 T N -1.469 113.130 114.554 0.074 0.000 2.771 317 T HA 0.012 4.361 4.350 -0.001 0.000 0.290 317 T C 1.109 175.815 174.700 0.010 0.000 1.005 317 T CA -0.415 61.702 62.100 0.029 0.000 0.944 317 T CB 0.492 69.355 68.868 -0.009 0.000 1.147 317 T HN 0.756 nan 8.240 nan 0.000 0.534 318 N N -0.984 117.717 118.700 0.001 0.000 2.512 318 N HA 0.047 4.786 4.740 -0.001 0.000 0.183 318 N C -0.131 175.365 175.510 -0.022 0.000 1.073 318 N CA -0.110 52.938 53.050 -0.003 0.000 0.911 318 N CB -0.063 38.424 38.487 -0.000 0.000 0.964 318 N HN 0.315 nan 8.380 nan 0.000 0.447 319 V N 1.633 121.520 119.914 -0.046 0.000 2.350 319 V HA 0.216 4.335 4.120 -0.001 0.000 0.276 319 V C -1.310 174.716 176.094 -0.114 0.000 1.028 319 V CA -1.578 60.679 62.300 -0.071 0.000 0.860 319 V CB 1.480 33.256 31.823 -0.078 0.000 0.990 319 V HN -0.031 nan 8.190 nan 0.000 0.453 320 P HA -0.170 nan 4.420 nan 0.000 0.218 320 P C 0.870 178.073 177.300 -0.162 0.000 1.154 320 P CA 1.566 64.616 63.100 -0.083 0.000 0.872 320 P CB 0.105 31.770 31.700 -0.057 0.000 0.790 321 N N -1.527 117.026 118.700 -0.244 0.000 2.234 321 N HA 0.079 4.818 4.740 -0.001 0.000 0.227 321 N C -0.217 174.868 175.510 -0.708 0.000 1.151 321 N CA 0.022 52.859 53.050 -0.355 0.000 0.865 321 N CB 0.051 38.396 38.487 -0.238 0.000 1.066 321 N HN 0.177 nan 8.380 nan 0.000 0.515 322 I N 1.359 121.499 120.570 -0.716 0.000 2.389 322 I HA 0.358 4.528 4.170 -0.001 0.000 0.288 322 I C -0.886 174.852 176.117 -0.633 0.000 0.999 322 I CA -0.963 60.010 61.300 -0.546 0.000 1.129 322 I CB 0.809 38.678 38.000 -0.218 0.000 1.288 322 I HN -0.138 nan 8.210 nan 0.000 0.444 323 Y N 4.320 124.662 120.300 0.071 0.000 2.621 323 Y HA 0.861 5.411 4.550 -0.001 0.000 0.334 323 Y C 0.204 176.144 175.900 0.068 0.000 1.074 323 Y CA -1.217 56.925 58.100 0.070 0.000 1.149 323 Y CB 1.539 40.044 38.460 0.075 0.000 1.302 323 Y HN 0.546 nan 8.280 nan 0.000 0.501 324 A N 1.550 124.513 122.820 0.237 0.000 2.488 324 A HA 0.852 5.172 4.320 -0.001 0.000 0.298 324 A C -1.234 176.438 177.584 0.147 0.000 1.044 324 A CA -0.629 51.503 52.037 0.158 0.000 0.693 324 A CB 1.061 20.126 19.000 0.109 0.000 1.272 324 A HN 0.805 nan 8.150 nan 0.000 0.402 325 I N -1.098 119.550 120.570 0.129 0.000 3.191 325 I HA 0.950 5.120 4.170 -0.001 0.000 0.313 325 I C 0.475 176.657 176.117 0.109 0.000 1.193 325 I CA -0.351 61.019 61.300 0.117 0.000 0.968 325 I CB 1.964 40.031 38.000 0.111 0.000 1.262 325 I HN 2.027 nan 8.210 nan 0.000 0.456 326 G N 2.601 111.467 108.800 0.110 0.000 2.584 326 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.229 326 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.229 326 G C -0.098 174.867 174.900 0.108 0.000 1.320 326 G CA 0.529 45.693 45.100 0.107 0.000 0.891 326 G HN 0.829 nan 8.290 nan 0.000 0.573 327 D N -0.255 120.213 120.400 0.114 0.000 2.263 327 D HA -0.020 4.619 4.640 -0.001 0.000 0.208 327 D C 2.292 178.659 176.300 0.112 0.000 0.971 327 D CA 0.918 54.990 54.000 0.120 0.000 0.867 327 D CB -0.051 40.834 40.800 0.142 0.000 0.929 327 D HN 0.459 nan 8.370 nan 0.000 0.492 328 I N 0.899 121.533 120.570 0.106 0.000 2.567 328 I HA -0.213 3.957 4.170 -0.001 0.000 0.257 328 I C 1.551 177.717 176.117 0.081 0.000 1.184 328 I CA 1.230 62.587 61.300 0.095 0.000 1.451 328 I CB 0.028 38.081 38.000 0.089 0.000 1.089 328 I HN 0.036 nan 8.210 nan 0.000 0.441 329 T N -3.338 111.263 114.554 0.078 0.000 3.107 329 T HA 0.028 4.378 4.350 -0.001 0.000 0.249 329 T C 0.833 175.561 174.700 0.047 0.000 1.096 329 T CA 0.373 62.509 62.100 0.059 0.000 1.012 329 T CB -0.282 68.620 68.868 0.055 0.000 0.977 329 T HN 0.404 nan 8.240 nan 0.000 0.527 330 D N 0.511 120.949 120.400 0.063 0.000 2.708 330 D HA -0.173 4.467 4.640 -0.001 0.000 0.236 330 D C 0.673 176.996 176.300 0.037 0.000 1.146 330 D CA 0.631 54.667 54.000 0.060 0.000 0.662 330 D CB -0.844 39.991 40.800 0.059 0.000 1.059 330 D HN 0.587 nan 8.370 nan 0.000 0.428 331 R N -0.816 119.701 120.500 0.029 0.000 1.805 331 R HA 0.489 4.829 4.340 -0.001 0.000 0.126 331 R C 0.276 176.595 176.300 0.031 0.000 2.041 331 R CA -0.578 55.519 56.100 -0.005 0.000 1.762 331 R CB 0.160 30.412 30.300 -0.080 0.000 1.390 331 R HN 0.091 nan 8.270 nan 0.000 0.488 332 L N 2.894 124.152 121.223 0.057 0.000 2.261 332 L HA 0.300 4.640 4.340 -0.001 0.000 0.289 332 L C -0.129 176.792 176.870 0.085 0.000 1.059 332 L CA 0.055 54.940 54.840 0.075 0.000 0.816 332 L CB 1.157 43.288 42.059 0.121 0.000 1.191 332 L HN 0.425 nan 8.230 nan 0.000 0.431 333 M N 6.582 126.230 119.600 0.080 0.000 3.396 333 M HA 0.324 4.804 4.480 -0.001 0.000 0.255 333 M C -0.968 175.382 176.300 0.085 0.000 1.398 333 M CA 0.204 55.568 55.300 0.107 0.000 1.554 333 M CB -0.145 32.547 32.600 0.153 0.000 1.070 333 M HN 0.427 nan 8.290 nan 0.000 0.587 334 L N -0.345 120.919 121.223 0.067 0.000 2.408 334 L HA 0.383 4.722 4.340 -0.001 0.000 0.268 334 L C 1.203 178.110 176.870 0.061 0.000 0.986 334 L CA -0.482 54.384 54.840 0.044 0.000 0.820 334 L CB 2.258 44.324 42.059 0.011 0.000 1.303 334 L HN 0.267 nan 8.230 nan 0.000 0.411 335 T N 1.705 116.298 114.554 0.065 0.000 2.635 335 T HA -0.099 4.250 4.350 -0.001 0.000 0.267 335 T C -1.070 173.658 174.700 0.047 0.000 1.040 335 T CA 1.867 64.005 62.100 0.064 0.000 1.156 335 T CB -0.500 68.406 68.868 0.064 0.000 0.863 335 T HN 0.470 nan 8.240 nan 0.000 0.430 336 P HA 0.052 nan 4.420 nan 0.000 0.223 336 P C 1.480 178.787 177.300 0.011 0.000 1.151 336 P CA 0.417 63.530 63.100 0.021 0.000 0.787 336 P CB -0.101 31.608 31.700 0.014 0.000 0.788 337 V N 0.333 120.255 119.914 0.014 0.000 2.307 337 V HA -0.224 3.896 4.120 -0.001 0.000 0.245 337 V C 2.479 178.591 176.094 0.030 0.000 1.045 337 V CA 2.165 64.467 62.300 0.003 0.000 1.024 337 V CB -1.724 30.115 31.823 0.026 0.000 0.651 337 V HN 0.092 nan 8.190 nan 0.000 0.449 338 A N 0.123 122.977 122.820 0.058 0.000 1.892 338 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 338 A C 2.208 179.827 177.584 0.058 0.000 1.188 338 A CA 2.228 54.307 52.037 0.071 0.000 0.631 338 A CB -0.633 18.414 19.000 0.079 0.000 0.822 338 A HN 0.502 nan 8.150 nan 0.000 0.447 339 I N -0.176 120.422 120.570 0.048 0.000 2.179 339 I HA -0.280 3.890 4.170 -0.001 0.000 0.242 339 I C 2.582 178.723 176.117 0.041 0.000 1.088 339 I CA 1.592 62.920 61.300 0.047 0.000 1.357 339 I CB -0.451 37.572 38.000 0.037 0.000 1.051 339 I HN 0.501 nan 8.210 nan 0.000 0.409 340 N N 1.056 119.766 118.700 0.017 0.000 2.120 340 N HA -0.217 4.523 4.740 -0.001 0.000 0.188 340 N C 1.721 177.231 175.510 0.000 0.000 1.024 340 N CA 1.545 54.594 53.050 -0.001 0.000 0.852 340 N CB 0.024 38.486 38.487 -0.041 0.000 1.003 340 N HN 0.423 nan 8.380 nan 0.000 0.424 341 E N -0.374 119.829 120.200 0.005 0.000 2.085 341 E HA -0.138 4.212 4.350 -0.001 0.000 0.194 341 E C 1.947 178.575 176.600 0.046 0.000 0.994 341 E CA 1.130 57.546 56.400 0.027 0.000 0.801 341 E CB -0.313 29.426 29.700 0.065 0.000 0.743 341 E HN 0.473 nan 8.360 nan 0.000 0.453 342 G N 1.066 109.903 108.800 0.062 0.000 2.402 342 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.216 342 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.216 342 G C 1.687 176.639 174.900 0.087 0.000 1.162 342 G CA 0.828 45.975 45.100 0.080 0.000 0.777 342 G HN 0.348 nan 8.290 nan 0.000 0.539 343 A N 1.204 124.075 122.820 0.085 0.000 1.877 343 A HA 0.286 4.605 4.320 -0.001 0.000 0.216 343 A C 2.819 180.457 177.584 0.090 0.000 1.186 343 A CA 2.263 54.360 52.037 0.101 0.000 0.620 343 A CB -0.824 18.227 19.000 0.086 0.000 0.822 343 A HN 0.768 nan 8.150 nan 0.000 0.443 344 A N -0.366 122.487 122.820 0.055 0.000 1.902 344 A HA -0.026 4.294 4.320 -0.001 0.000 0.217 344 A C 2.164 179.772 177.584 0.040 0.000 1.181 344 A CA 1.726 53.790 52.037 0.046 0.000 0.623 344 A CB -0.661 18.346 19.000 0.011 0.000 0.818 344 A HN 0.830 nan 8.150 nan 0.000 0.443 345 L N -0.137 121.095 121.223 0.016 0.000 2.017 345 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 345 L C 2.302 179.103 176.870 -0.116 0.000 1.073 345 L CA 2.095 56.895 54.840 -0.067 0.000 0.745 345 L CB -0.567 41.438 42.059 -0.089 0.000 0.894 345 L HN 0.119 nan 8.230 nan 0.000 0.432 346 V N 0.163 120.082 119.914 0.009 0.000 2.343 346 V HA -0.261 3.859 4.120 -0.001 0.000 0.247 346 V C 2.282 178.405 176.094 0.048 0.000 1.051 346 V CA 1.936 64.307 62.300 0.119 0.000 1.036 346 V CB -0.847 31.133 31.823 0.260 0.000 0.654 346 V HN 0.497 nan 8.190 nan 0.000 0.451 347 D N -0.184 120.269 120.400 0.087 0.000 2.144 347 D HA -0.134 4.506 4.640 -0.001 0.000 0.199 347 D C 2.263 178.504 176.300 -0.098 0.000 0.984 347 D CA 1.859 55.887 54.000 0.047 0.000 0.834 347 D CB -0.300 40.574 40.800 0.124 0.000 0.955 347 D HN 0.410 nan 8.370 nan 0.000 0.465 348 T N 0.385 114.887 114.554 -0.086 0.000 2.701 348 T HA -0.063 4.286 4.350 -0.001 0.000 0.263 348 T C 2.273 176.810 174.700 -0.271 0.000 1.040 348 T CA 0.709 62.736 62.100 -0.121 0.000 1.147 348 T CB -0.289 68.560 68.868 -0.031 0.000 0.865 348 T HN -0.040 nan 8.240 nan 0.000 0.426 349 V N 0.233 119.886 119.914 -0.434 0.000 2.323 349 V HA -0.006 4.114 4.120 -0.001 0.000 0.244 349 V C 1.780 177.394 176.094 -0.800 0.000 1.041 349 V CA 1.595 63.461 62.300 -0.723 0.000 1.025 349 V CB -0.473 30.657 31.823 -1.155 0.000 0.656 349 V HN 0.424 nan 8.190 nan 0.000 0.451 350 F N -0.176 119.525 119.950 -0.416 0.000 2.724 350 F HA 0.386 4.912 4.527 -0.001 0.000 0.306 350 F C 2.018 177.335 175.800 -0.804 0.000 1.100 350 F CA 0.572 58.270 58.000 -0.502 0.000 1.255 350 F CB -0.203 38.520 39.000 -0.460 0.000 1.072 350 F HN 0.131 nan 8.300 nan 0.000 0.589 351 G N -0.085 108.285 108.800 -0.716 0.000 2.986 351 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.213 351 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.213 351 G C 0.198 174.975 174.900 -0.205 0.000 1.156 351 G CA -0.068 44.621 45.100 -0.684 0.000 0.763 351 G HN 0.325 nan 8.290 nan 0.000 0.547 352 N N 0.909 119.502 118.700 -0.178 0.000 2.669 352 N HA -0.215 4.525 4.740 -0.001 0.000 0.266 352 N C -0.408 175.077 175.510 -0.042 0.000 1.024 352 N CA 1.432 54.425 53.050 -0.094 0.000 0.766 352 N CB -1.915 36.535 38.487 -0.061 0.000 0.898 352 N HN 0.713 nan 8.380 nan 0.000 0.548 353 K N -2.426 117.953 120.400 -0.034 0.000 2.987 353 K HA 0.386 4.705 4.320 -0.001 0.000 0.224 353 K C -3.240 173.378 176.600 0.030 0.000 1.209 353 K CA -1.380 54.916 56.287 0.015 0.000 0.971 353 K CB 1.317 33.849 32.500 0.052 0.000 1.252 353 K HN -0.110 nan 8.250 nan 0.000 0.580 354 P HA 0.058 nan 4.420 nan 0.000 0.266 354 P C -0.971 176.453 177.300 0.207 0.000 1.193 354 P CA -0.202 62.951 63.100 0.088 0.000 0.770 354 P CB 0.494 32.195 31.700 0.002 0.000 0.836 355 R N 0.979 121.689 120.500 0.350 0.000 2.647 355 R HA 0.252 4.591 4.340 -0.001 0.000 0.260 355 R C -1.133 175.192 176.300 0.042 0.000 1.154 355 R CA -0.741 55.464 56.100 0.175 0.000 1.029 355 R CB 1.166 31.523 30.300 0.097 0.000 1.262 355 R HN 0.450 nan 8.270 nan 0.000 0.437 356 K N 1.734 122.029 120.400 -0.176 0.000 2.259 356 K HA 0.469 4.789 4.320 -0.001 0.000 0.252 356 K C -0.848 175.636 176.600 -0.193 0.000 0.936 356 K CA -0.829 55.234 56.287 -0.373 0.000 0.810 356 K CB 2.101 34.150 32.500 -0.753 0.000 1.143 356 K HN 0.273 nan 8.250 nan 0.000 0.427 357 T N 2.315 116.766 114.554 -0.172 0.000 2.902 357 T HA -0.055 4.294 4.350 -0.001 0.000 0.301 357 T C -0.398 174.146 174.700 -0.260 0.000 1.012 357 T CA 0.310 62.274 62.100 -0.226 0.000 1.151 357 T CB 0.305 68.990 68.868 -0.305 0.000 0.946 357 T HN 0.548 nan 8.240 nan 0.000 0.542 358 D N 1.509 121.781 120.400 -0.214 0.000 2.325 358 D HA 0.027 4.666 4.640 -0.001 0.000 0.251 358 D C 0.886 177.055 176.300 -0.217 0.000 1.196 358 D CA -0.213 53.703 54.000 -0.140 0.000 0.866 358 D CB 0.428 41.184 40.800 -0.072 0.000 1.101 358 D HN 0.576 nan 8.370 nan 0.000 0.476 359 H N 2.161 121.215 119.070 -0.028 0.000 2.526 359 H HA 0.085 4.640 4.556 -0.001 0.000 0.274 359 H C 0.541 175.859 175.328 -0.015 0.000 0.999 359 H CA 0.223 56.259 56.048 -0.020 0.000 1.157 359 H CB 0.317 30.067 29.762 -0.019 0.000 1.407 359 H HN 0.394 nan 8.280 nan 0.000 0.568 360 T N -1.825 112.770 114.554 0.067 0.000 2.927 360 T HA 0.331 4.681 4.350 -0.001 0.000 0.281 360 T C 0.625 175.335 174.700 0.017 0.000 0.998 360 T CA -0.892 61.236 62.100 0.046 0.000 1.019 360 T CB 1.960 70.857 68.868 0.047 0.000 1.061 360 T HN 0.268 nan 8.240 nan 0.000 0.518 361 R N -0.817 119.691 120.500 0.014 0.000 3.627 361 R HA -0.101 4.238 4.340 -0.001 0.000 0.281 361 R C -0.561 175.733 176.300 -0.010 0.000 1.140 361 R CA 0.297 56.398 56.100 0.001 0.000 0.761 361 R CB -2.457 27.847 30.300 0.006 0.000 1.181 361 R HN 0.544 nan 8.270 nan 0.000 0.472 362 V N 1.125 121.031 119.914 -0.013 0.000 2.432 362 V HA 0.439 4.558 4.120 -0.001 0.000 0.271 362 V C 1.124 177.203 176.094 -0.026 0.000 1.046 362 V CA 0.068 62.355 62.300 -0.021 0.000 0.945 362 V CB 1.370 33.181 31.823 -0.020 0.000 0.992 362 V HN 0.397 nan 8.190 nan 0.000 0.471 363 A N 5.037 127.845 122.820 -0.021 0.000 2.371 363 A HA 0.766 5.085 4.320 -0.001 0.000 0.257 363 A C 0.420 177.991 177.584 -0.022 0.000 1.089 363 A CA 0.279 52.303 52.037 -0.021 0.000 0.794 363 A CB 0.529 19.524 19.000 -0.009 0.000 1.029 363 A HN 1.266 nan 8.150 nan 0.000 0.488 364 S N -0.399 115.286 115.700 -0.024 0.000 2.611 364 S HA 0.823 5.292 4.470 -0.001 0.000 0.268 364 S C -0.726 173.855 174.600 -0.032 0.000 1.156 364 S CA -0.137 58.044 58.200 -0.030 0.000 0.817 364 S CB 1.161 64.327 63.200 -0.057 0.000 1.122 364 S HN 2.322 nan 8.310 nan 0.000 0.466 365 A N 0.534 123.309 122.820 -0.076 0.000 2.454 365 A HA 0.861 5.180 4.320 -0.001 0.000 0.302 365 A C -1.264 176.177 177.584 -0.239 0.000 1.079 365 A CA -0.838 51.068 52.037 -0.218 0.000 0.731 365 A CB 1.809 20.558 19.000 -0.419 0.000 1.299 365 A HN 1.285 nan 8.150 nan 0.000 0.413 366 V N 1.146 120.869 119.914 -0.318 0.000 2.448 366 V HA 0.367 4.487 4.120 -0.001 0.000 0.295 366 V C -0.896 174.971 176.094 -0.379 0.000 1.025 366 V CA -0.108 62.055 62.300 -0.229 0.000 0.859 366 V CB 1.272 32.956 31.823 -0.232 0.000 0.988 366 V HN 0.770 nan 8.190 nan 0.000 0.431 367 F N 3.029 122.985 119.950 0.010 0.000 2.954 367 F HA 0.211 4.738 4.527 -0.001 0.000 0.300 367 F C 1.499 177.270 175.800 -0.048 0.000 1.206 367 F CA -0.294 57.693 58.000 -0.023 0.000 1.345 367 F CB -0.080 38.908 39.000 -0.019 0.000 1.206 367 F HN 0.560 nan 8.300 nan 0.000 0.537 368 S N -0.194 115.503 115.700 -0.004 0.000 2.608 368 S HA 0.492 4.961 4.470 -0.001 0.000 0.261 368 S C -0.145 174.441 174.600 -0.023 0.000 1.314 368 S CA -0.605 57.578 58.200 -0.030 0.000 0.992 368 S CB 1.298 64.443 63.200 -0.092 0.000 0.935 368 S HN 0.266 nan 8.310 nan 0.000 0.564 369 I N 2.505 123.060 120.570 -0.026 0.000 2.405 369 I HA 0.336 4.506 4.170 -0.001 0.000 0.280 369 I C -2.189 173.915 176.117 -0.021 0.000 1.027 369 I CA -2.193 59.093 61.300 -0.022 0.000 1.161 369 I CB 1.711 39.700 38.000 -0.017 0.000 1.300 369 I HN 0.545 nan 8.210 nan 0.000 0.463 370 P HA 0.419 nan 4.420 nan 0.000 0.278 370 P C -2.815 174.426 177.300 -0.099 0.000 1.258 370 P CA -1.701 61.362 63.100 -0.061 0.000 0.811 370 P CB 0.694 32.346 31.700 -0.080 0.000 1.063 371 P HA 0.456 nan 4.420 nan 0.000 0.281 371 P C -0.496 176.667 177.300 -0.228 0.000 1.281 371 P CA -0.482 62.509 63.100 -0.182 0.000 0.811 371 P CB 1.185 32.763 31.700 -0.203 0.000 1.154 372 I N -0.699 119.714 120.570 -0.263 0.000 2.646 372 I HA 0.607 4.777 4.170 -0.001 0.000 0.299 372 I C 0.433 176.444 176.117 -0.177 0.000 1.036 372 I CA -0.583 60.594 61.300 -0.204 0.000 1.074 372 I CB 2.275 40.155 38.000 -0.201 0.000 1.258 372 I HN 0.366 nan 8.210 nan 0.000 0.430 373 G N 1.928 110.671 108.800 -0.095 0.000 2.617 373 G HA2 0.628 4.588 3.960 -0.001 0.000 0.306 373 G HA3 0.628 4.588 3.960 -0.001 0.000 0.306 373 G C -1.306 173.601 174.900 0.012 0.000 1.360 373 G CA -0.376 44.693 45.100 -0.053 0.000 0.983 373 G HN 0.486 nan 8.290 nan 0.000 0.496 374 T N -0.740 113.830 114.554 0.027 0.000 2.923 374 T HA 0.571 4.921 4.350 -0.001 0.000 0.311 374 T C -1.523 173.150 174.700 -0.044 0.000 1.183 374 T CA -0.494 61.624 62.100 0.030 0.000 1.020 374 T CB 1.528 70.516 68.868 0.201 0.000 1.165 374 T HN 1.219 nan 8.240 nan 0.000 0.482 375 C N 3.413 122.631 119.300 -0.137 0.000 2.752 375 C HA 0.857 5.317 4.460 -0.001 0.000 0.360 375 C C 0.622 175.538 174.990 -0.124 0.000 1.081 375 C CA 1.129 60.089 59.018 -0.097 0.000 1.272 375 C CB -0.019 27.681 27.740 -0.068 0.000 1.754 375 C HN 1.790 nan 8.230 nan 0.000 0.483 376 G N 4.474 113.245 108.800 -0.047 0.000 2.587 376 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.212 376 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.212 376 G C -1.005 173.935 174.900 0.066 0.000 1.327 376 G CA -0.323 44.770 45.100 -0.011 0.000 0.898 376 G HN 1.161 nan 8.290 nan 0.000 0.551 377 L N 1.167 122.442 121.223 0.088 0.000 2.371 377 L HA 0.551 4.890 4.340 -0.001 0.000 0.272 377 L C 1.542 178.530 176.870 0.196 0.000 1.124 377 L CA -0.718 54.188 54.840 0.111 0.000 0.816 377 L CB 0.836 42.951 42.059 0.093 0.000 1.129 377 L HN 0.711 nan 8.230 nan 0.000 0.448 378 I N -0.846 119.751 120.570 0.046 0.000 2.886 378 I HA 0.149 4.318 4.170 -0.001 0.000 0.299 378 I C 1.267 177.352 176.117 -0.053 0.000 1.044 378 I CA -0.612 60.620 61.300 -0.114 0.000 1.310 378 I CB 0.843 38.715 38.000 -0.214 0.000 1.441 378 I HN 0.824 nan 8.210 nan 0.000 0.578 379 E N 2.177 122.332 120.200 -0.076 0.000 2.150 379 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 379 E C 1.269 177.705 176.600 -0.273 0.000 0.985 379 E CA 1.276 57.615 56.400 -0.102 0.000 0.814 379 E CB -0.260 29.442 29.700 0.003 0.000 0.752 379 E HN 0.847 nan 8.360 nan 0.000 0.466 380 E N 1.675 121.743 120.200 -0.220 0.000 2.299 380 E HA -0.060 4.289 4.350 -0.001 0.000 0.193 380 E C 2.193 178.704 176.600 -0.149 0.000 0.998 380 E CA 0.686 56.929 56.400 -0.261 0.000 0.851 380 E CB -0.149 29.469 29.700 -0.136 0.000 0.795 380 E HN 0.236 nan 8.360 nan 0.000 0.492 381 V N 2.151 122.014 119.914 -0.085 0.000 2.323 381 V HA -0.159 3.961 4.120 -0.001 0.000 0.244 381 V C 2.732 178.830 176.094 0.007 0.000 1.041 381 V CA 1.771 64.051 62.300 -0.033 0.000 1.025 381 V CB -0.817 30.999 31.823 -0.011 0.000 0.656 381 V HN 0.395 nan 8.190 nan 0.000 0.451 382 A N 0.295 123.132 122.820 0.028 0.000 1.908 382 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 382 A C 2.401 180.086 177.584 0.168 0.000 1.181 382 A CA 2.143 54.278 52.037 0.163 0.000 0.627 382 A CB -0.797 18.267 19.000 0.106 0.000 0.818 382 A HN 0.583 nan 8.150 nan 0.000 0.445 383 A N -0.305 122.497 122.820 -0.031 0.000 2.019 383 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 383 A C 2.043 179.631 177.584 0.007 0.000 1.164 383 A CA 1.720 53.726 52.037 -0.052 0.000 0.644 383 A CB -0.371 18.410 19.000 -0.366 0.000 0.805 383 A HN 0.584 nan 8.150 nan 0.000 0.449 384 K N -0.458 119.932 120.400 -0.017 0.000 2.217 384 K HA -0.065 4.254 4.320 -0.001 0.000 0.202 384 K C 1.445 178.015 176.600 -0.049 0.000 1.051 384 K CA 1.373 57.648 56.287 -0.019 0.000 0.952 384 K CB -0.016 32.468 32.500 -0.027 0.000 0.736 384 K HN 0.624 nan 8.250 nan 0.000 0.453 385 E N -0.657 119.501 120.200 -0.070 0.000 2.415 385 E HA 0.084 4.434 4.350 -0.001 0.000 0.197 385 E C -0.447 175.831 176.600 -0.538 0.000 1.007 385 E CA 0.132 56.348 56.400 -0.306 0.000 0.890 385 E CB 0.396 29.846 29.700 -0.418 0.000 0.891 385 E HN 0.038 nan 8.360 nan 0.000 0.496 386 F N 0.195 120.163 119.950 0.029 0.000 2.540 386 F HA 0.226 4.753 4.527 -0.001 0.000 0.317 386 F C 1.180 177.020 175.800 0.066 0.000 1.104 386 F CA -0.868 57.162 58.000 0.049 0.000 0.913 386 F CB 1.888 40.924 39.000 0.060 0.000 1.170 386 F HN -0.236 nan 8.300 nan 0.000 0.450 387 E N 1.587 121.916 120.200 0.215 0.000 2.110 387 E HA -0.081 4.268 4.350 -0.001 0.000 0.193 387 E C -0.233 176.482 176.600 0.192 0.000 0.988 387 E CA 1.414 57.909 56.400 0.158 0.000 0.804 387 E CB 0.295 30.066 29.700 0.118 0.000 0.745 387 E HN 0.427 nan 8.360 nan 0.000 0.458 388 K N 0.027 120.569 120.400 0.237 0.000 2.463 388 K HA 0.399 4.719 4.320 -0.001 0.000 0.255 388 K C -1.697 175.075 176.600 0.286 0.000 0.942 388 K CA -0.581 55.856 56.287 0.251 0.000 0.814 388 K CB 2.753 35.399 32.500 0.243 0.000 1.122 388 K HN -0.170 nan 8.250 nan 0.000 0.425 389 V N 2.277 122.366 119.914 0.292 0.000 2.487 389 V HA 0.590 4.709 4.120 -0.001 0.000 0.298 389 V C -0.511 175.679 176.094 0.161 0.000 1.028 389 V CA -0.837 61.604 62.300 0.234 0.000 0.860 389 V CB 1.629 33.592 31.823 0.234 0.000 0.991 389 V HN 0.895 nan 8.190 nan 0.000 0.427 390 A N 4.617 127.456 122.820 0.031 0.000 2.312 390 A HA 0.860 5.180 4.320 -0.001 0.000 0.326 390 A C -0.748 176.639 177.584 -0.329 0.000 1.172 390 A CA -0.532 51.295 52.037 -0.351 0.000 0.821 390 A CB 1.480 20.221 19.000 -0.431 0.000 1.166 390 A HN 0.685 nan 8.150 nan 0.000 0.493 391 V N 2.986 122.505 119.914 -0.658 0.000 2.350 391 V HA 0.294 4.413 4.120 -0.001 0.000 0.285 391 V C -1.238 174.419 176.094 -0.729 0.000 1.014 391 V CA -0.292 61.649 62.300 -0.597 0.000 0.831 391 V CB 0.367 31.675 31.823 -0.859 0.000 1.000 391 V HN 0.763 nan 8.190 nan 0.000 0.433 392 Y N 4.977 125.090 120.300 -0.311 0.000 2.320 392 Y HA 0.715 5.265 4.550 -0.001 0.000 0.334 392 Y C 0.223 176.048 175.900 -0.126 0.000 1.055 392 Y CA -0.533 57.440 58.100 -0.213 0.000 1.143 392 Y CB 1.683 40.057 38.460 -0.144 0.000 1.193 392 Y HN 0.617 nan 8.280 nan 0.000 0.477 393 M N 3.442 123.078 119.600 0.061 0.000 2.271 393 M HA 0.536 5.015 4.480 -0.001 0.000 0.285 393 M C -1.581 174.805 176.300 0.144 0.000 1.059 393 M CA -0.250 55.108 55.300 0.096 0.000 0.940 393 M CB 1.714 34.366 32.600 0.087 0.000 1.636 393 M HN 0.565 nan 8.290 nan 0.000 0.460 394 S N 2.758 118.577 115.700 0.199 0.000 2.547 394 S HA 0.796 5.265 4.470 -0.001 0.000 0.281 394 S C -1.678 173.115 174.600 0.322 0.000 1.118 394 S CA -0.452 57.907 58.200 0.265 0.000 0.947 394 S CB 2.075 65.450 63.200 0.291 0.000 1.053 394 S HN 0.778 nan 8.310 nan 0.000 0.482 395 S N 3.631 119.518 115.700 0.312 0.000 2.672 395 S HA 0.833 5.303 4.470 -0.001 0.000 0.291 395 S C -1.434 173.325 174.600 0.265 0.000 1.145 395 S CA -0.674 57.647 58.200 0.202 0.000 1.013 395 S CB 0.219 63.486 63.200 0.112 0.000 1.017 395 S HN 0.814 nan 8.310 nan 0.000 0.487 396 F N 0.282 120.324 119.950 0.154 0.000 2.654 396 F HA 0.635 5.161 4.527 -0.001 0.000 0.308 396 F C -0.478 175.407 175.800 0.143 0.000 1.108 396 F CA -0.961 57.113 58.000 0.125 0.000 0.957 396 F CB 0.765 39.826 39.000 0.102 0.000 1.309 396 F HN 0.246 nan 8.300 nan 0.000 0.446 397 T N 3.568 118.245 114.554 0.206 0.000 2.737 397 T HA 0.394 4.744 4.350 -0.001 0.000 0.296 397 T C -2.483 172.402 174.700 0.309 0.000 0.922 397 T CA -0.892 61.306 62.100 0.162 0.000 1.079 397 T CB 0.464 69.411 68.868 0.131 0.000 0.892 397 T HN 0.339 nan 8.240 nan 0.000 0.514 398 P HA 0.075 nan 4.420 nan 0.000 0.269 398 P C 0.956 178.369 177.300 0.187 0.000 1.217 398 P CA -0.628 62.671 63.100 0.331 0.000 0.783 398 P CB 0.520 32.368 31.700 0.246 0.000 0.898 399 L N 2.644 123.939 121.223 0.120 0.000 2.046 399 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 399 L C 2.272 179.180 176.870 0.064 0.000 1.077 399 L CA 1.907 56.795 54.840 0.080 0.000 0.747 399 L CB -1.537 40.549 42.059 0.045 0.000 0.896 399 L HN 0.484 nan 8.230 nan 0.000 0.432 400 M N -1.858 117.756 119.600 0.023 0.000 2.195 400 M HA -0.237 4.243 4.480 -0.001 0.000 0.260 400 M C 1.482 177.795 176.300 0.020 0.000 1.066 400 M CA 1.945 57.282 55.300 0.062 0.000 1.089 400 M CB -0.871 31.683 32.600 -0.077 0.000 1.377 400 M HN 0.226 nan 8.290 nan 0.000 0.411 401 H N 0.658 119.803 119.070 0.124 0.000 2.547 401 H HA 0.187 4.742 4.556 -0.001 0.000 0.266 401 H C 0.979 176.320 175.328 0.021 0.000 0.988 401 H CA 0.401 56.483 56.048 0.056 0.000 1.147 401 H CB -0.441 29.312 29.762 -0.014 0.000 1.365 401 H HN 0.601 nan 8.280 nan 0.000 0.589 402 N N 0.347 119.113 118.700 0.110 0.000 2.409 402 N HA -0.044 4.695 4.740 -0.001 0.000 0.179 402 N C 1.376 176.879 175.510 -0.010 0.000 1.032 402 N CA 0.532 53.613 53.050 0.051 0.000 0.898 402 N CB 0.491 39.002 38.487 0.041 0.000 0.971 402 N HN 0.306 nan 8.380 nan 0.000 0.441 403 I N -0.217 120.313 120.570 -0.068 0.000 3.616 403 I HA -0.043 4.127 4.170 -0.001 0.000 0.296 403 I C 2.112 178.104 176.117 -0.209 0.000 1.226 403 I CA 0.322 61.476 61.300 -0.245 0.000 1.394 403 I CB -0.041 37.630 38.000 -0.548 0.000 1.171 403 I HN -0.014 nan 8.210 nan 0.000 0.442 404 S N 0.349 116.063 115.700 0.024 0.000 2.419 404 S HA 0.041 4.511 4.470 -0.001 0.000 0.233 404 S C 1.917 176.611 174.600 0.156 0.000 1.016 404 S CA 1.116 59.460 58.200 0.240 0.000 0.974 404 S CB -0.319 63.177 63.200 0.493 0.000 0.786 404 S HN 0.580 nan 8.310 nan 0.000 0.492 405 G N 0.047 108.902 108.800 0.093 0.000 2.259 405 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.217 405 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.217 405 G C 0.542 175.474 174.900 0.053 0.000 1.001 405 G CA 0.100 45.248 45.100 0.080 0.000 0.627 405 G HN 0.712 nan 8.290 nan 0.000 0.501 406 S N 1.122 116.799 115.700 -0.037 0.000 2.738 406 S HA 0.328 4.798 4.470 -0.001 0.000 0.227 406 S C 1.318 175.566 174.600 -0.586 0.000 1.311 406 S CA 0.051 57.976 58.200 -0.458 0.000 1.249 406 S CB 0.780 63.575 63.200 -0.675 0.000 1.030 406 S HN 0.471 nan 8.310 nan 0.000 0.512 407 K N 0.757 121.034 120.400 -0.205 0.000 2.286 407 K HA -0.182 4.138 4.320 -0.001 0.000 0.203 407 K C 1.455 177.986 176.600 -0.115 0.000 1.045 407 K CA 1.365 57.595 56.287 -0.095 0.000 0.935 407 K CB -0.226 32.287 32.500 0.022 0.000 0.737 407 K HN 0.798 nan 8.250 nan 0.000 0.460 408 Y N -0.388 119.887 120.300 -0.041 0.000 2.574 408 Y HA 0.015 4.564 4.550 -0.001 0.000 0.294 408 Y C 0.175 176.021 175.900 -0.090 0.000 1.142 408 Y CA 0.193 58.261 58.100 -0.053 0.000 1.314 408 Y CB -0.337 38.091 38.460 -0.053 0.000 0.991 408 Y HN -0.250 nan 8.280 nan 0.000 0.555 409 K N 2.722 122.794 120.400 -0.547 0.000 2.480 409 K HA 0.086 4.406 4.320 -0.001 0.000 0.241 409 K C -0.404 176.087 176.600 -0.182 0.000 1.261 409 K CA 0.069 56.107 56.287 -0.416 0.000 1.193 409 K CB -0.055 31.972 32.500 -0.788 0.000 1.598 409 K HN 0.316 nan 8.250 nan 0.000 0.278 410 K N 1.374 121.714 120.400 -0.100 0.000 2.416 410 K HA 0.036 4.355 4.320 -0.001 0.000 0.283 410 K C -0.236 176.261 176.600 -0.173 0.000 1.037 410 K CA -0.103 56.124 56.287 -0.101 0.000 0.995 410 K CB 0.356 32.820 32.500 -0.060 0.000 0.938 410 K HN 0.203 nan 8.250 nan 0.000 0.475 411 F N 3.659 123.332 119.950 -0.462 0.000 2.427 411 F HA 0.173 4.700 4.527 -0.001 0.000 0.352 411 F C -0.297 175.196 175.800 -0.511 0.000 1.100 411 F CA -0.442 57.213 58.000 -0.575 0.000 1.191 411 F CB 0.720 39.150 39.000 -0.951 0.000 1.128 411 F HN 0.092 nan 8.300 nan 0.000 0.533 412 V N 5.303 124.959 119.914 -0.430 0.000 2.540 412 V HA 0.760 4.879 4.120 -0.001 0.000 0.302 412 V C -0.519 175.582 176.094 0.013 0.000 1.035 412 V CA -0.797 61.440 62.300 -0.106 0.000 0.873 412 V CB 1.415 33.178 31.823 -0.101 0.000 0.992 412 V HN 0.912 nan 8.190 nan 0.000 0.428 413 A N 4.959 127.918 122.820 0.232 0.000 2.357 413 A HA 0.807 5.126 4.320 -0.001 0.000 0.295 413 A C -0.594 177.092 177.584 0.169 0.000 1.121 413 A CA -0.725 51.466 52.037 0.256 0.000 0.742 413 A CB 0.977 20.225 19.000 0.413 0.000 1.181 413 A HN 0.780 nan 8.150 nan 0.000 0.454 414 K N 2.148 122.624 120.400 0.126 0.000 2.324 414 K HA 0.701 5.020 4.320 -0.001 0.000 0.253 414 K C -1.301 175.326 176.600 0.045 0.000 0.932 414 K CA -0.337 56.017 56.287 0.113 0.000 0.799 414 K CB 2.431 35.026 32.500 0.158 0.000 1.154 414 K HN 0.655 nan 8.250 nan 0.000 0.425 415 I N 2.504 123.082 120.570 0.014 0.000 2.433 415 I HA 0.314 4.483 4.170 -0.001 0.000 0.292 415 I C -0.647 175.491 176.117 0.035 0.000 1.001 415 I CA -1.253 59.995 61.300 -0.087 0.000 1.119 415 I CB 1.960 39.797 38.000 -0.272 0.000 1.289 415 I HN 0.178 nan 8.210 nan 0.000 0.438 416 V N 4.676 124.596 119.914 0.009 0.000 2.459 416 V HA 0.563 4.682 4.120 -0.001 0.000 0.295 416 V C 0.171 176.265 176.094 -0.001 0.000 1.029 416 V CA -0.325 61.997 62.300 0.037 0.000 0.874 416 V CB 1.926 33.794 31.823 0.074 0.000 0.985 416 V HN 0.903 nan 8.190 nan 0.000 0.438 417 T N 0.601 115.174 114.554 0.033 0.000 2.916 417 T HA 0.426 4.775 4.350 -0.001 0.000 0.292 417 T C -0.361 174.311 174.700 -0.046 0.000 1.055 417 T CA -0.873 61.227 62.100 0.000 0.000 1.009 417 T CB 1.659 70.600 68.868 0.121 0.000 1.118 417 T HN 0.418 nan 8.240 nan 0.000 0.497 418 N N 0.597 119.190 118.700 -0.178 0.000 2.406 418 N HA 0.051 4.790 4.740 -0.001 0.000 0.265 418 N C 0.663 176.202 175.510 0.049 0.000 1.203 418 N CA 0.121 53.062 53.050 -0.182 0.000 0.945 418 N CB 0.215 38.470 38.487 -0.386 0.000 1.165 418 N HN 0.853 nan 8.380 nan 0.000 0.485 419 H N 2.017 121.120 119.070 0.055 0.000 2.491 419 H HA 0.072 4.628 4.556 -0.001 0.000 0.290 419 H C 1.379 176.763 175.328 0.092 0.000 1.050 419 H CA 1.512 57.627 56.048 0.111 0.000 1.309 419 H CB 0.516 30.393 29.762 0.193 0.000 1.392 419 H HN 0.507 nan 8.280 nan 0.000 0.554 420 S N -0.091 115.652 115.700 0.071 0.000 2.368 420 S HA -0.138 4.331 4.470 -0.001 0.000 0.225 420 S C 1.230 175.811 174.600 -0.033 0.000 1.030 420 S CA 1.546 59.757 58.200 0.017 0.000 0.999 420 S CB -0.050 63.200 63.200 0.083 0.000 0.844 420 S HN 0.833 nan 8.310 nan 0.000 0.459 421 D N -1.656 118.732 120.400 -0.021 0.000 2.527 421 D HA 0.277 4.917 4.640 -0.001 0.000 0.224 421 D C 1.048 177.331 176.300 -0.029 0.000 1.217 421 D CA 0.616 54.602 54.000 -0.025 0.000 0.819 421 D CB -0.303 40.499 40.800 0.003 0.000 1.061 421 D HN 0.341 nan 8.370 nan 0.000 0.515 422 G N 0.296 109.079 108.800 -0.029 0.000 2.184 422 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.264 422 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.264 422 G C 0.478 175.377 174.900 -0.000 0.000 0.975 422 G CA 0.505 45.608 45.100 0.005 0.000 0.642 422 G HN 0.444 nan 8.290 nan 0.000 0.536 423 T N 1.444 115.981 114.554 -0.029 0.000 2.871 423 T HA 0.354 4.703 4.350 -0.001 0.000 0.296 423 T C 0.948 175.609 174.700 -0.064 0.000 0.998 423 T CA 0.152 62.228 62.100 -0.040 0.000 1.162 423 T CB 1.624 70.454 68.868 -0.065 0.000 0.947 423 T HN 0.480 nan 8.240 nan 0.000 0.536 424 V N 6.297 126.194 119.914 -0.028 0.000 2.485 424 V HA 0.049 4.168 4.120 -0.001 0.000 0.287 424 V C 1.326 177.373 176.094 -0.077 0.000 1.022 424 V CA 0.345 62.605 62.300 -0.066 0.000 1.067 424 V CB 0.299 32.087 31.823 -0.058 0.000 0.967 424 V HN 0.820 nan 8.190 nan 0.000 0.479 425 L N 4.050 125.211 121.223 -0.105 0.000 2.357 425 L HA 0.467 4.806 4.340 -0.001 0.000 0.211 425 L C 1.061 177.902 176.870 -0.048 0.000 1.075 425 L CA 0.759 55.543 54.840 -0.093 0.000 0.830 425 L CB 0.157 42.128 42.059 -0.145 0.000 0.996 425 L HN 0.782 nan 8.230 nan 0.000 0.467 426 G N -0.551 108.206 108.800 -0.072 0.000 2.720 426 G HA2 0.551 4.511 3.960 -0.001 0.000 0.295 426 G HA3 0.551 4.511 3.960 -0.001 0.000 0.295 426 G C -1.926 172.775 174.900 -0.332 0.000 1.437 426 G CA -0.285 44.727 45.100 -0.147 0.000 0.886 426 G HN -0.278 nan 8.290 nan 0.000 0.509 427 V N 2.328 121.882 119.914 -0.601 0.000 2.638 427 V HA 0.609 4.728 4.120 -0.001 0.000 0.306 427 V C -1.108 174.512 176.094 -0.789 0.000 1.052 427 V CA -0.902 61.086 62.300 -0.520 0.000 0.885 427 V CB 1.897 33.550 31.823 -0.283 0.000 0.999 427 V HN 0.816 nan 8.190 nan 0.000 0.424 428 H N 5.327 124.392 119.070 -0.008 0.000 2.689 428 H HA 0.703 5.259 4.556 -0.001 0.000 0.346 428 H C -1.199 174.125 175.328 -0.008 0.000 1.037 428 H CA -0.514 55.538 56.048 0.006 0.000 1.234 428 H CB 2.367 32.141 29.762 0.019 0.000 1.572 428 H HN 0.431 nan 8.280 nan 0.000 0.524 429 L N 3.361 124.608 121.223 0.039 0.000 2.422 429 L HA 0.427 4.766 4.340 -0.001 0.000 0.264 429 L C -1.062 175.661 176.870 -0.244 0.000 0.984 429 L CA -0.991 53.791 54.840 -0.095 0.000 0.819 429 L CB 2.849 44.895 42.059 -0.021 0.000 1.330 429 L HN 0.248 nan 8.230 nan 0.000 0.410 430 L N 2.140 123.052 121.223 -0.518 0.000 2.438 430 L HA 1.012 5.351 4.340 -0.001 0.000 0.270 430 L C -0.244 176.092 176.870 -0.890 0.000 0.972 430 L CA 0.355 54.892 54.840 -0.503 0.000 0.831 430 L CB 1.775 43.638 42.059 -0.325 0.000 1.273 430 L HN 0.764 nan 8.230 nan 0.000 0.405 431 G N 2.734 111.188 108.800 -0.577 0.000 2.347 431 G HA2 0.046 4.005 3.960 -0.001 0.000 0.477 431 G HA3 0.046 4.005 3.960 -0.001 0.000 0.477 431 G C -1.746 173.130 174.900 -0.040 0.000 1.349 431 G CA -0.810 44.074 45.100 -0.360 0.000 1.000 431 G HN 0.648 nan 8.290 nan 0.000 0.605 432 D N 0.328 120.826 120.400 0.163 0.000 2.488 432 D HA 0.412 5.051 4.640 -0.001 0.000 0.238 432 D C 1.550 177.994 176.300 0.240 0.000 1.138 432 D CA 2.129 56.234 54.000 0.176 0.000 0.873 432 D CB 0.869 41.786 40.800 0.196 0.000 1.183 432 D HN 1.962 nan 8.370 nan 0.000 0.458 433 G N 1.579 110.474 108.800 0.159 0.000 2.234 433 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.260 433 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.260 433 G C 1.240 176.232 174.900 0.153 0.000 0.987 433 G CA 0.906 46.100 45.100 0.158 0.000 0.625 433 G HN 0.715 nan 8.290 nan 0.000 0.532 434 A N 1.299 124.197 122.820 0.130 0.000 1.883 434 A HA 0.153 4.473 4.320 -0.001 0.000 0.217 434 A C 0.627 178.217 177.584 0.011 0.000 1.186 434 A CA 2.627 54.707 52.037 0.072 0.000 0.624 434 A CB -1.160 17.787 19.000 -0.088 0.000 0.822 434 A HN 0.475 nan 8.150 nan 0.000 0.444 435 P HA -0.129 nan 4.420 nan 0.000 0.218 435 P C 1.222 178.541 177.300 0.032 0.000 1.148 435 P CA 1.160 64.217 63.100 -0.072 0.000 0.822 435 P CB 0.007 31.610 31.700 -0.161 0.000 0.784 436 E N -0.657 119.582 120.200 0.066 0.000 2.112 436 E HA -0.042 4.308 4.350 -0.001 0.000 0.190 436 E C 2.126 178.764 176.600 0.064 0.000 0.979 436 E CA 0.828 57.270 56.400 0.070 0.000 0.814 436 E CB -0.649 29.094 29.700 0.073 0.000 0.762 436 E HN 0.329 nan 8.360 nan 0.000 0.460 437 I N 0.617 121.237 120.570 0.082 0.000 2.315 437 I HA -0.222 3.947 4.170 -0.001 0.000 0.248 437 I C 2.339 178.505 176.117 0.081 0.000 1.117 437 I CA 0.539 61.895 61.300 0.094 0.000 1.404 437 I CB -0.106 37.983 38.000 0.149 0.000 1.071 437 I HN 0.022 nan 8.210 nan 0.000 0.419 438 I N 0.790 121.398 120.570 0.064 0.000 2.676 438 I HA -0.247 3.922 4.170 -0.001 0.000 0.259 438 I C 2.386 178.525 176.117 0.037 0.000 1.194 438 I CA 1.256 62.584 61.300 0.046 0.000 1.473 438 I CB -0.352 37.657 38.000 0.015 0.000 1.096 438 I HN 0.203 nan 8.210 nan 0.000 0.443 439 Q N 1.105 120.926 119.800 0.035 0.000 2.050 439 Q HA -0.157 4.183 4.340 -0.001 0.000 0.202 439 Q C 2.157 178.171 176.000 0.023 0.000 0.980 439 Q CA 2.475 58.294 55.803 0.026 0.000 0.840 439 Q CB -0.475 28.279 28.738 0.026 0.000 0.898 439 Q HN 0.505 nan 8.270 nan 0.000 0.424 440 A N -0.640 122.195 122.820 0.026 0.000 2.119 440 A HA 0.008 4.327 4.320 -0.001 0.000 0.217 440 A C 2.178 179.778 177.584 0.026 0.000 1.153 440 A CA 1.006 53.050 52.037 0.013 0.000 0.692 440 A CB -0.419 18.582 19.000 0.001 0.000 0.799 440 A HN 0.275 nan 8.150 nan 0.000 0.458 441 V N 0.073 120.027 119.914 0.066 0.000 2.332 441 V HA -0.224 3.896 4.120 -0.001 0.000 0.248 441 V C 2.827 178.968 176.094 0.078 0.000 1.055 441 V CA 1.944 64.317 62.300 0.121 0.000 1.038 441 V CB -1.423 30.480 31.823 0.134 0.000 0.651 441 V HN 0.590 nan 8.190 nan 0.000 0.450 442 G N 0.013 108.835 108.800 0.037 0.000 2.469 442 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.219 442 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.219 442 G C 1.641 176.550 174.900 0.015 0.000 1.150 442 G CA 1.395 46.506 45.100 0.018 0.000 0.763 442 G HN 0.418 nan 8.290 nan 0.000 0.561 443 V N 0.487 120.406 119.914 0.009 0.000 2.343 443 V HA -0.215 3.904 4.120 -0.001 0.000 0.247 443 V C 3.060 179.150 176.094 -0.007 0.000 1.051 443 V CA 1.738 64.035 62.300 -0.005 0.000 1.036 443 V CB -0.826 30.988 31.823 -0.015 0.000 0.654 443 V HN 0.514 nan 8.190 nan 0.000 0.451 444 C N -0.271 119.026 119.300 -0.005 0.000 2.413 444 C HA -0.131 4.328 4.460 -0.001 0.000 0.276 444 C C 2.600 177.616 174.990 0.044 0.000 1.236 444 C CA 0.646 59.657 59.018 -0.012 0.000 1.735 444 C CB -1.153 26.570 27.740 -0.028 0.000 2.031 444 C HN 0.467 nan 8.230 nan 0.000 0.474 445 L N 0.481 121.746 121.223 0.069 0.000 2.141 445 L HA -0.033 4.307 4.340 -0.001 0.000 0.209 445 L C 2.608 179.495 176.870 0.028 0.000 1.094 445 L CA 1.557 56.430 54.840 0.055 0.000 0.763 445 L CB -0.857 41.225 42.059 0.038 0.000 0.908 445 L HN 0.275 nan 8.230 nan 0.000 0.437 446 R N -0.747 119.763 120.500 0.016 0.000 2.235 446 R HA 0.015 4.355 4.340 -0.001 0.000 0.213 446 R C 1.243 177.546 176.300 0.006 0.000 1.059 446 R CA 0.557 56.662 56.100 0.008 0.000 0.997 446 R CB -0.017 30.283 30.300 0.000 0.000 0.884 446 R HN 0.297 nan 8.270 nan 0.000 0.462 447 L N 1.426 122.651 121.223 0.004 0.000 2.728 447 L HA 0.125 4.465 4.340 -0.001 0.000 0.235 447 L C -0.338 176.536 176.870 0.006 0.000 1.197 447 L CA -0.192 54.647 54.840 -0.002 0.000 0.992 447 L CB 0.111 42.159 42.059 -0.018 0.000 1.263 447 L HN 0.192 nan 8.230 nan 0.000 0.484 448 N N 0.005 118.716 118.700 0.018 0.000 2.721 448 N HA -0.195 4.545 4.740 -0.001 0.000 0.249 448 N C 0.481 176.011 175.510 0.033 0.000 1.072 448 N CA 0.880 53.945 53.050 0.024 0.000 0.710 448 N CB -1.155 37.344 38.487 0.019 0.000 0.993 448 N HN 0.429 nan 8.380 nan 0.000 0.547 449 A N 0.188 123.039 122.820 0.052 0.000 2.586 449 A HA 0.154 4.473 4.320 -0.001 0.000 0.231 449 A C 0.863 178.519 177.584 0.119 0.000 1.055 449 A CA 0.570 52.656 52.037 0.082 0.000 0.756 449 A CB 0.537 19.613 19.000 0.126 0.000 0.988 449 A HN 0.298 nan 8.150 nan 0.000 0.509 450 K N 0.922 121.390 120.400 0.113 0.000 2.258 450 K HA 0.400 4.719 4.320 -0.001 0.000 0.236 450 K C 0.859 177.554 176.600 0.160 0.000 1.008 450 K CA -0.843 55.499 56.287 0.092 0.000 0.869 450 K CB 1.310 33.839 32.500 0.048 0.000 1.171 450 K HN 0.523 nan 8.250 nan 0.000 0.447 451 I N 1.472 122.074 120.570 0.054 0.000 2.454 451 I HA -0.279 3.890 4.170 -0.001 0.000 0.254 451 I C 1.998 178.165 176.117 0.084 0.000 1.156 451 I CA 1.812 63.094 61.300 -0.030 0.000 1.433 451 I CB -0.115 37.707 38.000 -0.296 0.000 1.082 451 I HN 0.717 nan 8.210 nan 0.000 0.432 452 S N -0.819 114.931 115.700 0.083 0.000 2.436 452 S HA -0.108 4.362 4.470 -0.001 0.000 0.228 452 S C 1.716 176.387 174.600 0.118 0.000 1.014 452 S CA 0.784 59.055 58.200 0.119 0.000 0.950 452 S CB -0.594 62.652 63.200 0.076 0.000 0.784 452 S HN 0.462 nan 8.310 nan 0.000 0.504 453 D N 1.268 121.720 120.400 0.087 0.000 2.117 453 D HA -0.046 4.594 4.640 -0.001 0.000 0.197 453 D C 1.466 177.721 176.300 -0.074 0.000 0.987 453 D CA 1.043 55.035 54.000 -0.012 0.000 0.829 453 D CB -0.433 40.327 40.800 -0.068 0.000 0.961 453 D HN 0.442 nan 8.370 nan 0.000 0.460 454 F N 0.158 120.093 119.950 -0.025 0.000 2.051 454 F HA -0.211 4.315 4.527 -0.001 0.000 0.296 454 F C 2.476 178.265 175.800 -0.017 0.000 1.122 454 F CA 1.084 59.066 58.000 -0.031 0.000 1.201 454 F CB -0.709 38.260 39.000 -0.052 0.000 0.978 454 F HN -0.037 nan 8.300 nan 0.000 0.472 455 Y N 1.204 121.564 120.300 0.100 0.000 2.242 455 Y HA -0.165 4.385 4.550 -0.001 0.000 0.291 455 Y C 2.031 177.934 175.900 0.005 0.000 1.137 455 Y CA 1.411 59.529 58.100 0.029 0.000 1.181 455 Y CB -0.609 37.848 38.460 -0.004 0.000 0.989 455 Y HN -0.030 nan 8.280 nan 0.000 0.527 456 N N -0.440 118.255 118.700 -0.008 0.000 2.512 456 N HA -0.056 4.684 4.740 -0.001 0.000 0.183 456 N C 0.171 175.593 175.510 -0.147 0.000 1.073 456 N CA 0.948 53.937 53.050 -0.101 0.000 0.911 456 N CB -0.512 37.968 38.487 -0.012 0.000 0.964 456 N HN 0.169 nan 8.380 nan 0.000 0.447 457 T N 2.064 116.534 114.554 -0.140 0.000 2.870 457 T HA 0.229 4.579 4.350 -0.001 0.000 0.300 457 T C 0.926 175.535 174.700 -0.151 0.000 0.989 457 T CA -0.285 61.732 62.100 -0.137 0.000 1.139 457 T CB 0.901 69.682 68.868 -0.145 0.000 0.920 457 T HN -0.002 nan 8.240 nan 0.000 0.537 458 I N 2.716 123.210 120.570 -0.127 0.000 2.556 458 I HA 0.221 4.391 4.170 -0.001 0.000 0.284 458 I C 1.469 177.531 176.117 -0.092 0.000 1.114 458 I CA -0.352 60.876 61.300 -0.120 0.000 1.418 458 I CB 0.351 38.294 38.000 -0.095 0.000 1.394 458 I HN 0.650 nan 8.210 nan 0.000 0.552 459 G N 5.372 114.118 108.800 -0.090 0.000 2.544 459 G HA2 0.357 4.316 3.960 -0.001 0.000 0.242 459 G HA3 0.357 4.316 3.960 -0.001 0.000 0.242 459 G C -0.355 174.533 174.900 -0.020 0.000 1.247 459 G CA -0.403 44.666 45.100 -0.053 0.000 0.840 459 G HN 0.402 nan 8.290 nan 0.000 0.578 460 V N 2.220 122.133 119.914 -0.002 0.000 2.383 460 V HA 0.273 4.392 4.120 -0.001 0.000 0.275 460 V C -0.177 175.947 176.094 0.050 0.000 1.036 460 V CA -0.504 61.804 62.300 0.012 0.000 0.889 460 V CB 0.814 32.631 31.823 -0.010 0.000 0.985 460 V HN 0.850 nan 8.190 nan 0.000 0.459 461 H N 6.367 125.403 119.070 -0.056 0.000 2.524 461 H HA 0.726 5.281 4.556 -0.001 0.000 0.353 461 H C -2.397 172.904 175.328 -0.046 0.000 1.136 461 H CA -1.864 54.148 56.048 -0.059 0.000 1.193 461 H CB 2.071 31.798 29.762 -0.059 0.000 1.558 461 H HN 0.527 nan 8.280 nan 0.000 0.515 462 P HA 0.284 nan 4.420 nan 0.000 0.293 462 P C -1.197 175.961 177.300 -0.236 0.000 1.300 462 P CA -0.558 62.174 63.100 -0.612 0.000 0.792 462 P CB 1.278 32.599 31.700 -0.632 0.000 0.925 463 T N -1.998 112.469 114.554 -0.145 0.000 2.841 463 T HA 0.355 4.705 4.350 -0.001 0.000 0.296 463 T C 0.836 175.457 174.700 -0.132 0.000 1.166 463 T CA -0.542 61.495 62.100 -0.106 0.000 1.007 463 T CB 1.178 70.004 68.868 -0.070 0.000 1.253 463 T HN 0.031 nan 8.240 nan 0.000 0.511 464 S N 0.059 115.656 115.700 -0.173 0.000 2.395 464 S HA 0.098 4.567 4.470 -0.001 0.000 0.225 464 S C 2.460 176.895 174.600 -0.276 0.000 1.027 464 S CA 0.906 58.908 58.200 -0.329 0.000 0.965 464 S CB -0.834 61.876 63.200 -0.817 0.000 0.812 464 S HN 0.907 nan 8.310 nan 0.000 0.482 465 A N 2.233 124.967 122.820 -0.144 0.000 1.986 465 A HA -0.227 4.092 4.320 -0.001 0.000 0.220 465 A C 1.944 179.528 177.584 0.000 0.000 1.171 465 A CA 1.860 53.887 52.037 -0.018 0.000 0.640 465 A CB -0.726 18.288 19.000 0.022 0.000 0.811 465 A HN 0.788 nan 8.150 nan 0.000 0.451 466 E N -0.424 119.751 120.200 -0.041 0.000 2.265 466 E HA -0.250 4.100 4.350 -0.001 0.000 0.196 466 E C 1.582 178.161 176.600 -0.035 0.000 0.996 466 E CA 1.290 57.673 56.400 -0.029 0.000 0.832 466 E CB -0.277 29.408 29.700 -0.026 0.000 0.756 466 E HN 0.517 nan 8.360 nan 0.000 0.491 467 E N 1.257 121.414 120.200 -0.073 0.000 2.171 467 E HA -0.133 4.216 4.350 -0.001 0.000 0.197 467 E C 1.921 178.561 176.600 0.066 0.000 0.997 467 E CA 0.965 57.343 56.400 -0.037 0.000 0.810 467 E CB -0.251 29.459 29.700 0.016 0.000 0.738 467 E HN 0.414 nan 8.360 nan 0.000 0.467 468 L N -0.943 120.339 121.223 0.099 0.000 2.265 468 L HA -0.160 4.180 4.340 -0.001 0.000 0.215 468 L C 1.311 178.279 176.870 0.164 0.000 1.117 468 L CA 0.599 55.511 54.840 0.121 0.000 0.782 468 L CB -0.018 42.155 42.059 0.190 0.000 0.914 468 L HN 0.258 nan 8.230 nan 0.000 0.441 469 C N -1.425 117.951 119.300 0.126 0.000 2.881 469 C HA 0.199 4.658 4.460 -0.001 0.000 0.290 469 C C 1.637 176.642 174.990 0.025 0.000 1.362 469 C CA -0.261 58.816 59.018 0.099 0.000 1.757 469 C CB -0.567 27.183 27.740 0.017 0.000 2.265 469 C HN 0.332 nan 8.230 nan 0.000 0.600 470 S N -0.019 115.740 115.700 0.099 0.000 2.846 470 S HA 0.329 4.798 4.470 -0.001 0.000 0.249 470 S C 0.074 174.841 174.600 0.279 0.000 1.028 470 S CA -0.093 58.201 58.200 0.156 0.000 1.043 470 S CB -0.005 63.222 63.200 0.045 0.000 0.990 470 S HN 0.518 nan 8.310 nan 0.000 0.564 471 M N 2.767 122.517 119.600 0.252 0.000 2.066 471 M HA 0.354 4.833 4.480 -0.001 0.000 0.340 471 M C 0.977 177.290 176.300 0.022 0.000 1.053 471 M CA -0.263 55.124 55.300 0.144 0.000 0.983 471 M CB 1.206 33.861 32.600 0.091 0.000 1.520 471 M HN 0.241 nan 8.290 nan 0.000 0.428 472 R N 0.074 120.542 120.500 -0.053 0.000 2.316 472 R HA 0.275 4.614 4.340 -0.001 0.000 0.201 472 R C -0.336 176.019 176.300 0.092 0.000 0.888 472 R CA 0.058 55.981 56.100 -0.294 0.000 1.041 472 R CB 0.297 30.078 30.300 -0.865 0.000 1.115 472 R HN 0.362 nan 8.270 nan 0.000 0.559 473 T N 3.136 117.790 114.554 0.167 0.000 2.792 473 T HA 0.403 4.752 4.350 -0.001 0.000 0.280 473 T C -2.680 171.917 174.700 -0.171 0.000 0.990 473 T CA -1.777 60.369 62.100 0.077 0.000 0.960 473 T CB 2.192 71.067 68.868 0.011 0.000 0.939 473 T HN -0.097 nan 8.240 nan 0.000 0.439 474 P HA 0.102 nan 4.420 nan 0.000 0.266 474 P C 0.435 177.356 177.300 -0.631 0.000 1.193 474 P CA 0.096 62.499 63.100 -1.162 0.000 0.770 474 P CB 0.480 31.295 31.700 -1.475 0.000 0.836 475 S N 0.998 116.350 115.700 -0.580 0.000 2.446 475 S HA 0.073 4.542 4.470 -0.001 0.000 0.225 475 S C 0.237 174.761 174.600 -0.127 0.000 1.016 475 S CA 0.766 58.825 58.200 -0.236 0.000 0.943 475 S CB -0.533 62.623 63.200 -0.073 0.000 0.786 475 S HN 0.695 nan 8.310 nan 0.000 0.508 476 Y N -2.378 117.642 120.300 -0.468 0.000 2.925 476 Y HA 0.669 5.219 4.550 -0.001 0.000 0.349 476 Y C -1.825 173.680 175.900 -0.658 0.000 1.342 476 Y CA -2.148 55.710 58.100 -0.403 0.000 1.093 476 Y CB 0.503 38.825 38.460 -0.230 0.000 1.571 476 Y HN -0.092 nan 8.280 nan 0.000 0.438 477 Y N -0.700 119.564 120.300 -0.060 0.000 2.609 477 Y HA 0.674 5.223 4.550 -0.001 0.000 0.342 477 Y C -1.555 174.240 175.900 -0.176 0.000 1.058 477 Y CA -1.389 56.634 58.100 -0.129 0.000 1.055 477 Y CB 2.291 40.657 38.460 -0.155 0.000 1.292 477 Y HN 0.587 nan 8.280 nan 0.000 0.476 478 Y N 0.564 120.992 120.300 0.212 0.000 2.350 478 Y HA 0.656 5.205 4.550 -0.001 0.000 0.338 478 Y C -0.853 175.133 175.900 0.143 0.000 0.961 478 Y CA -1.063 57.135 58.100 0.164 0.000 1.100 478 Y CB 1.921 40.464 38.460 0.138 0.000 1.179 478 Y HN 0.216 nan 8.280 nan 0.000 0.454 479 V N 4.329 124.373 119.914 0.217 0.000 2.487 479 V HA 0.286 4.406 4.120 -0.001 0.000 0.298 479 V C -0.088 176.085 176.094 0.131 0.000 1.028 479 V CA -1.694 60.693 62.300 0.145 0.000 0.860 479 V CB 1.627 33.488 31.823 0.063 0.000 0.991 479 V HN 0.614 nan 8.190 nan 0.000 0.427 480 K N 3.811 124.283 120.400 0.121 0.000 4.226 480 K HA -0.254 4.065 4.320 -0.001 0.000 0.274 480 K C 1.243 177.912 176.600 0.115 0.000 0.782 480 K CA 1.056 57.404 56.287 0.101 0.000 0.692 480 K CB -1.262 31.278 32.500 0.067 0.000 1.843 480 K HN 1.670 nan 8.250 nan 0.000 0.420 481 G N -0.110 108.786 108.800 0.161 0.000 2.179 481 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.260 481 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.260 481 G C -0.074 174.980 174.900 0.256 0.000 0.977 481 G CA 0.592 45.793 45.100 0.169 0.000 0.641 481 G HN 0.540 nan 8.290 nan 0.000 0.533 482 E N 0.482 120.823 120.200 0.235 0.000 2.145 482 E HA 0.474 4.824 4.350 -0.001 0.000 0.270 482 E C 0.083 176.729 176.600 0.077 0.000 0.906 482 E CA -0.808 55.690 56.400 0.163 0.000 0.761 482 E CB 0.671 30.419 29.700 0.081 0.000 1.116 482 E HN 0.240 nan 8.360 nan 0.000 0.408 483 K N 5.352 125.728 120.400 -0.041 0.000 2.368 483 K HA 0.192 4.512 4.320 -0.001 0.000 0.282 483 K C -0.397 176.079 176.600 -0.206 0.000 1.035 483 K CA 0.228 56.286 56.287 -0.382 0.000 0.973 483 K CB 0.349 32.624 32.500 -0.375 0.000 0.957 483 K HN 0.539 nan 8.250 nan 0.000 0.474 484 M N 1.827 121.323 119.600 -0.174 0.000 2.373 484 M HA 0.147 4.626 4.480 -0.001 0.000 0.290 484 M C -0.100 176.223 176.300 0.038 0.000 1.143 484 M CA -0.734 54.530 55.300 -0.060 0.000 0.949 484 M CB 1.760 34.341 32.600 -0.031 0.000 1.756 484 M HN 0.677 nan 8.290 nan 0.000 0.494 485 E N 1.892 122.110 120.200 0.030 0.000 2.274 485 E HA 0.037 4.387 4.350 -0.001 0.000 0.194 485 E C -0.484 176.221 176.600 0.176 0.000 0.996 485 E CA 1.141 57.599 56.400 0.096 0.000 0.840 485 E CB 0.562 30.279 29.700 0.028 0.000 0.772 485 E HN 0.657 nan 8.360 nan 0.000 0.491 486 K N 0.060 120.517 120.400 0.094 0.000 2.385 486 K HA 0.417 4.737 4.320 -0.001 0.000 0.248 486 K C -0.895 175.585 176.600 -0.200 0.000 0.955 486 K CA -0.583 55.700 56.287 -0.007 0.000 0.816 486 K CB 2.071 34.554 32.500 -0.028 0.000 1.250 486 K HN -0.052 nan 8.250 nan 0.000 0.434 487 L N 3.960 124.896 121.223 -0.478 0.000 2.461 487 L HA 0.249 4.589 4.340 -0.001 0.000 0.272 487 L C -1.324 175.426 176.870 -0.201 0.000 1.197 487 L CA -1.371 53.205 54.840 -0.440 0.000 0.836 487 L CB 0.025 41.758 42.059 -0.543 0.000 1.105 487 L HN 0.610 nan 8.230 nan 0.000 0.477 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 63.053 63.100 -0.078 0.000 0.800 488 P CB 0.000 31.668 31.700 -0.053 0.000 0.726