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 2ohj_1_E DATA FIRST_RESID 1 DATA SEQUENCE MKAAAKRISD GVYWTGVLDW DLRNYHGYTL QGTTYNAYLV CGDEGVALID DATA SEQUENCE NSYPGTFDEL MARVEDALQQ VGMERVDYII QNHVEKDHSG VLVELHRRFP DATA SEQUENCE EAPIYCTEVA VKGLLKHYPS LREAEFMTVK TGDVLDLGGK TLTFLETPLL DATA SEQUENCE HWPDSMFTLL DEDGILFSND AFGQHLCCPQ RLDREIPEYI LMDAARKFYA DATA SEQUENCE NLITPLSKLV LKKFDEVKEL GLLERIQMIA PSHGQIWTDP MKIIEAYTGW DATA SEQUENCE ATGMVDERVT VIYDTMHGST RKMAHAIAEG AMSEGVDVRV YCLHEDDRSE DATA SEQUENCE IVKDILESGA IALGAPTIYD EPYPSVGDLL MYLRGLKFNR TLTRKALVFG DATA SEQUENCE SMGGNGGATG TMKELLAEAG FDVACEEEVY YVPTGDELDA CFEAGRKLAA DATA SEQUENCE EIR 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 2 K N 3.285 123.690 120.400 0.009 0.000 2.250 2 K HA 0.736 5.056 4.320 -0.000 0.000 0.285 2 K C -1.099 175.520 176.600 0.033 0.000 1.097 2 K CA -0.058 56.239 56.287 0.017 0.000 0.913 2 K CB 0.979 33.492 32.500 0.022 0.000 1.179 2 K HN 0.600 nan 8.250 nan 0.000 0.462 3 A N 2.193 125.029 122.820 0.028 0.000 2.465 3 A HA 0.664 4.984 4.320 -0.000 0.000 0.292 3 A C -1.193 176.420 177.584 0.049 0.000 1.041 3 A CA -0.729 51.340 52.037 0.054 0.000 0.718 3 A CB 1.449 20.477 19.000 0.047 0.000 1.266 3 A HN 0.635 nan 8.150 nan 0.000 0.403 4 A N 1.410 124.286 122.820 0.093 0.000 2.303 4 A HA 0.847 5.167 4.320 -0.000 0.000 0.317 4 A C 0.627 178.307 177.584 0.159 0.000 1.149 4 A CA 0.135 52.233 52.037 0.101 0.000 0.822 4 A CB 0.684 19.749 19.000 0.109 0.000 1.131 4 A HN 2.347 nan 8.150 nan 0.000 0.493 5 A N 1.130 124.032 122.820 0.136 0.000 2.332 5 A HA 0.587 4.907 4.320 -0.000 0.000 0.258 5 A C 0.196 178.003 177.584 0.371 0.000 1.087 5 A CA -0.191 51.985 52.037 0.233 0.000 0.802 5 A CB 0.206 19.289 19.000 0.138 0.000 1.042 5 A HN 0.772 nan 8.150 nan 0.000 0.489 6 K N 0.759 121.453 120.400 0.489 0.000 2.358 6 K HA 0.315 4.635 4.320 -0.000 0.000 0.260 6 K C -0.071 176.683 176.600 0.256 0.000 0.956 6 K CA -0.364 56.130 56.287 0.345 0.000 0.834 6 K CB 0.902 33.550 32.500 0.246 0.000 1.102 6 K HN 0.686 nan 8.250 nan 0.000 0.431 7 R N 4.379 124.919 120.500 0.066 0.000 2.484 7 R HA 0.063 4.403 4.340 -0.000 0.000 0.293 7 R C 0.123 176.325 176.300 -0.163 0.000 1.023 7 R CA 0.152 56.033 56.100 -0.364 0.000 1.037 7 R CB 0.374 30.477 30.300 -0.328 0.000 0.951 7 R HN 0.696 nan 8.270 nan 0.000 0.418 8 I N 1.370 121.837 120.570 -0.171 0.000 3.718 8 I HA 0.136 4.306 4.170 -0.000 0.000 0.297 8 I C 0.461 176.531 176.117 -0.078 0.000 1.220 8 I CA 0.866 62.139 61.300 -0.044 0.000 1.381 8 I CB 0.469 38.524 38.000 0.091 0.000 1.238 8 I HN 0.589 nan 8.210 nan 0.000 0.448 9 S N -1.314 114.316 115.700 -0.117 0.000 2.672 9 S HA 0.302 4.772 4.470 -0.000 0.000 0.271 9 S C -1.646 172.882 174.600 -0.119 0.000 1.171 9 S CA -0.733 57.411 58.200 -0.094 0.000 0.817 9 S CB 0.863 64.023 63.200 -0.065 0.000 1.150 9 S HN 0.035 nan 8.310 nan 0.000 0.478 10 D N 0.657 121.015 120.400 -0.071 0.000 2.401 10 D HA 0.464 5.104 4.640 -0.000 0.000 0.254 10 D C 1.256 177.549 176.300 -0.012 0.000 1.192 10 D CA 2.102 56.074 54.000 -0.046 0.000 0.885 10 D CB 0.256 41.045 40.800 -0.018 0.000 1.147 10 D HN 1.087 nan 8.370 nan 0.000 0.478 11 G N 2.380 111.192 108.800 0.020 0.000 2.155 11 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.257 11 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.257 11 G C 0.026 175.021 174.900 0.158 0.000 0.983 11 G CA 0.358 45.539 45.100 0.135 0.000 0.676 11 G HN 0.562 nan 8.290 nan 0.000 0.528 12 V N 0.165 120.073 119.914 -0.010 0.000 2.483 12 V HA 0.690 4.810 4.120 -0.000 0.000 0.297 12 V C -0.577 175.446 176.094 -0.118 0.000 1.027 12 V CA -1.085 61.259 62.300 0.073 0.000 0.855 12 V CB 1.407 33.298 31.823 0.114 0.000 0.995 12 V HN 0.252 nan 8.190 nan 0.000 0.424 13 Y N 1.872 122.290 120.300 0.197 0.000 2.425 13 Y HA 0.430 4.980 4.550 -0.000 0.000 0.344 13 Y C -0.346 175.732 175.900 0.297 0.000 0.969 13 Y CA -0.628 57.598 58.100 0.210 0.000 1.052 13 Y CB 1.869 40.396 38.460 0.112 0.000 1.215 13 Y HN 0.772 nan 8.280 nan 0.000 0.451 14 W N 4.515 125.970 121.300 0.257 0.000 2.356 14 W HA 0.373 5.033 4.660 -0.000 0.000 0.311 14 W C 0.144 176.683 176.519 0.033 0.000 1.328 14 W CA -0.251 57.140 57.345 0.077 0.000 1.251 14 W CB 0.917 30.407 29.460 0.049 0.000 1.280 14 W HN 0.521 nan 8.180 nan 0.000 0.524 15 T N 3.353 117.441 114.554 -0.776 0.000 3.624 15 T HA 0.470 4.820 4.350 -0.000 0.000 0.244 15 T C 0.228 174.277 174.700 -1.084 0.000 1.063 15 T CA -0.271 61.372 62.100 -0.762 0.000 1.252 15 T CB -0.348 68.315 68.868 -0.342 0.000 1.021 15 T HN 0.499 nan 8.240 nan 0.000 0.590 16 G N 0.611 108.162 108.800 -2.080 0.000 2.583 16 G HA2 0.660 4.620 3.960 -0.000 0.000 0.280 16 G HA3 0.660 4.620 3.960 -0.000 0.000 0.280 16 G C -1.075 173.473 174.900 -0.587 0.000 1.376 16 G CA -0.800 43.615 45.100 -1.142 0.000 1.043 16 G HN 0.471 nan 8.290 nan 0.000 0.538 17 V N 0.145 120.013 119.914 -0.076 0.000 2.540 17 V HA 0.385 4.505 4.120 -0.000 0.000 0.302 17 V C -0.334 175.820 176.094 0.099 0.000 1.035 17 V CA -0.516 61.835 62.300 0.085 0.000 0.873 17 V CB 1.643 33.592 31.823 0.211 0.000 0.992 17 V HN 0.491 nan 8.190 nan 0.000 0.428 18 L N 3.894 125.136 121.223 0.031 0.000 2.255 18 L HA 0.474 4.814 4.340 -0.000 0.000 0.289 18 L C -0.141 176.535 176.870 -0.324 0.000 1.046 18 L CA -0.223 54.460 54.840 -0.262 0.000 0.816 18 L CB 0.858 42.634 42.059 -0.473 0.000 1.197 18 L HN 0.557 nan 8.230 nan 0.000 0.427 19 D N 2.843 123.031 120.400 -0.354 0.000 2.518 19 D HA 0.091 4.731 4.640 -0.000 0.000 0.230 19 D C 0.647 176.850 176.300 -0.161 0.000 1.138 19 D CA -0.398 53.485 54.000 -0.195 0.000 0.964 19 D CB 0.401 41.069 40.800 -0.219 0.000 1.011 19 D HN 0.382 nan 8.370 nan 0.000 0.517 20 W N 1.383 122.666 121.300 -0.029 0.000 2.374 20 W HA -0.079 4.581 4.660 -0.000 0.000 0.288 20 W C 1.587 178.083 176.519 -0.038 0.000 1.218 20 W CA 0.422 57.752 57.345 -0.025 0.000 1.245 20 W CB 0.256 29.713 29.460 -0.006 0.000 1.126 20 W HN 0.313 nan 8.180 nan 0.000 0.545 21 D N -0.528 119.974 120.400 0.170 0.000 2.366 21 D HA 0.016 4.656 4.640 -0.000 0.000 0.205 21 D C 0.630 176.925 176.300 -0.007 0.000 1.022 21 D CA 0.121 54.170 54.000 0.082 0.000 0.868 21 D CB -0.161 40.681 40.800 0.070 0.000 0.953 21 D HN -0.003 nan 8.370 nan 0.000 0.514 22 L N 2.116 123.291 121.223 -0.079 0.000 2.455 22 L HA 0.012 4.352 4.340 -0.000 0.000 0.272 22 L C 1.157 177.947 176.870 -0.132 0.000 1.174 22 L CA 0.473 55.204 54.840 -0.183 0.000 0.869 22 L CB 0.449 42.287 42.059 -0.369 0.000 1.130 22 L HN -0.225 nan 8.230 nan 0.000 0.474 23 R N 2.300 122.735 120.500 -0.108 0.000 2.383 23 R HA 0.288 4.628 4.340 -0.000 0.000 0.205 23 R C -0.256 176.031 176.300 -0.021 0.000 0.875 23 R CA -0.023 56.050 56.100 -0.044 0.000 1.039 23 R CB -0.033 30.257 30.300 -0.017 0.000 1.267 23 R HN 0.634 nan 8.270 nan 0.000 0.635 24 N N 0.459 119.141 118.700 -0.029 0.000 2.478 24 N HA 0.206 4.946 4.740 -0.000 0.000 0.291 24 N C -1.602 173.969 175.510 0.101 0.000 1.090 24 N CA -0.560 52.518 53.050 0.046 0.000 0.911 24 N CB 1.283 39.786 38.487 0.027 0.000 1.546 24 N HN 0.108 nan 8.380 nan 0.000 0.500 25 Y N 0.002 120.260 120.300 -0.070 0.000 2.641 25 Y HA 0.324 4.874 4.550 -0.000 0.000 0.333 25 Y C -0.376 175.473 175.900 -0.085 0.000 1.174 25 Y CA -1.143 56.860 58.100 -0.162 0.000 1.057 25 Y CB 1.017 39.270 38.460 -0.344 0.000 1.322 25 Y HN 0.689 nan 8.280 nan 0.000 0.457 26 H N 1.396 120.397 119.070 -0.115 0.000 2.861 26 H HA -0.162 4.394 4.556 -0.000 0.000 0.289 26 H C 1.182 176.511 175.328 0.001 0.000 1.176 26 H CA 1.359 57.304 56.048 -0.172 0.000 1.146 26 H CB -1.362 28.156 29.762 -0.407 0.000 1.330 26 H HN 1.628 nan 8.280 nan 0.000 0.379 27 G N -0.690 108.179 108.800 0.115 0.000 2.176 27 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.252 27 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.252 27 G C -0.289 174.647 174.900 0.061 0.000 1.024 27 G CA 0.508 45.621 45.100 0.021 0.000 0.755 27 G HN 0.713 nan 8.290 nan 0.000 0.507 28 Y N 0.938 121.246 120.300 0.014 0.000 2.421 28 Y HA 0.570 5.120 4.550 -0.000 0.000 0.339 28 Y C 0.460 176.396 175.900 0.060 0.000 0.996 28 Y CA -0.185 57.950 58.100 0.058 0.000 1.046 28 Y CB 1.683 40.215 38.460 0.121 0.000 1.226 28 Y HN 0.398 nan 8.280 nan 0.000 0.445 29 T N 5.217 119.744 114.554 -0.045 0.000 2.907 29 T HA 0.766 5.116 4.350 -0.000 0.000 0.284 29 T C -0.669 174.069 174.700 0.063 0.000 1.004 29 T CA -0.640 61.468 62.100 0.014 0.000 1.063 29 T CB 1.460 70.301 68.868 -0.044 0.000 0.992 29 T HN 0.753 nan 8.240 nan 0.000 0.483 30 L N -0.665 120.621 121.223 0.105 0.000 2.568 30 L HA 0.723 5.063 4.340 -0.000 0.000 0.257 30 L C -0.695 176.220 176.870 0.076 0.000 1.024 30 L CA -1.337 53.590 54.840 0.145 0.000 0.854 30 L CB 2.135 44.307 42.059 0.188 0.000 1.460 30 L HN 0.529 nan 8.230 nan 0.000 0.409 31 Q N 1.197 121.053 119.800 0.093 0.000 2.553 31 Q HA 0.611 4.951 4.340 -0.000 0.000 0.395 31 Q C -0.075 175.967 176.000 0.071 0.000 0.971 31 Q CA 0.630 56.480 55.803 0.077 0.000 1.090 31 Q CB 0.287 29.080 28.738 0.092 0.000 1.328 31 Q HN 1.180 nan 8.270 nan 0.000 0.413 32 G N -0.047 108.766 108.800 0.022 0.000 2.690 32 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.686 32 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.686 32 G C -0.553 174.313 174.900 -0.056 0.000 1.277 32 G CA -0.362 44.721 45.100 -0.029 0.000 0.799 32 G HN 0.456 nan 8.290 nan 0.000 0.613 33 T N -0.987 113.472 114.554 -0.158 0.000 2.754 33 T HA 0.927 5.277 4.350 -0.000 0.000 0.296 33 T C 0.248 174.773 174.700 -0.291 0.000 1.205 33 T CA 0.974 63.006 62.100 -0.113 0.000 1.009 33 T CB 1.621 70.490 68.868 0.000 0.000 1.368 33 T HN 2.188 nan 8.240 nan 0.000 0.509 34 T N 0.127 114.562 114.554 -0.199 0.000 2.924 34 T HA 0.713 5.063 4.350 -0.000 0.000 0.291 34 T C -1.653 172.836 174.700 -0.351 0.000 1.045 34 T CA -0.605 61.328 62.100 -0.278 0.000 1.015 34 T CB 1.125 69.978 68.868 -0.025 0.000 1.103 34 T HN 0.471 nan 8.240 nan 0.000 0.496 35 Y N 1.355 121.772 120.300 0.195 0.000 2.587 35 Y HA 0.422 4.972 4.550 -0.000 0.000 0.328 35 Y C 0.280 176.235 175.900 0.092 0.000 0.980 35 Y CA -1.567 56.626 58.100 0.155 0.000 1.272 35 Y CB 0.274 38.810 38.460 0.126 0.000 1.094 35 Y HN 0.538 nan 8.280 nan 0.000 0.503 36 N N 2.751 121.567 118.700 0.194 0.000 2.411 36 N HA 0.493 5.232 4.740 -0.000 0.000 0.259 36 N C -0.306 175.067 175.510 -0.228 0.000 1.103 36 N CA -0.083 52.982 53.050 0.025 0.000 0.954 36 N CB 1.505 40.118 38.487 0.211 0.000 1.085 36 N HN 0.673 nan 8.380 nan 0.000 0.485 37 A N 2.514 125.006 122.820 -0.547 0.000 2.354 37 A HA 0.767 5.087 4.320 -0.000 0.000 0.321 37 A C -1.396 175.755 177.584 -0.722 0.000 1.125 37 A CA -0.567 51.217 52.037 -0.422 0.000 0.799 37 A CB 0.934 19.785 19.000 -0.249 0.000 1.293 37 A HN 0.581 nan 8.150 nan 0.000 0.452 38 Y N 0.023 120.271 120.300 -0.087 0.000 2.406 38 Y HA 0.524 5.074 4.550 -0.000 0.000 0.340 38 Y C -0.527 175.317 175.900 -0.093 0.000 0.975 38 Y CA -0.612 57.457 58.100 -0.052 0.000 1.056 38 Y CB 2.014 40.468 38.460 -0.009 0.000 1.210 38 Y HN 0.566 nan 8.280 nan 0.000 0.448 39 L N 4.202 125.504 121.223 0.132 0.000 2.264 39 L HA 0.660 5.000 4.340 -0.000 0.000 0.289 39 L C -0.986 175.974 176.870 0.150 0.000 1.044 39 L CA -0.438 54.453 54.840 0.085 0.000 0.807 39 L CB 0.921 43.007 42.059 0.045 0.000 1.192 39 L HN 0.479 nan 8.230 nan 0.000 0.425 40 V N 4.325 124.275 119.914 0.059 0.000 2.378 40 V HA 0.363 4.483 4.120 -0.000 0.000 0.288 40 V C -0.646 175.487 176.094 0.065 0.000 1.016 40 V CA -0.596 61.749 62.300 0.075 0.000 0.840 40 V CB 1.358 33.184 31.823 0.005 0.000 0.994 40 V HN 0.835 nan 8.190 nan 0.000 0.431 41 C N 4.625 123.985 119.300 0.099 0.000 2.293 41 C HA 0.808 5.268 4.460 -0.000 0.000 0.323 41 C C 1.131 176.160 174.990 0.066 0.000 1.240 41 C CA -0.702 58.363 59.018 0.079 0.000 1.497 41 C CB 0.132 27.934 27.740 0.104 0.000 2.171 41 C HN 1.021 nan 8.230 nan 0.000 0.465 42 G N 1.618 110.447 108.800 0.048 0.000 2.606 42 G HA2 0.300 4.260 3.960 -0.000 0.000 0.262 42 G HA3 0.300 4.260 3.960 -0.000 0.000 0.262 42 G C 0.405 175.328 174.900 0.038 0.000 1.394 42 G CA -0.090 45.032 45.100 0.038 0.000 1.044 42 G HN 0.611 nan 8.290 nan 0.000 0.553 43 D N -0.451 119.968 120.400 0.032 0.000 2.123 43 D HA -0.042 4.598 4.640 -0.000 0.000 0.200 43 D C 2.239 178.558 176.300 0.032 0.000 0.976 43 D CA 1.038 55.056 54.000 0.029 0.000 0.831 43 D CB 0.339 41.154 40.800 0.024 0.000 0.974 43 D HN 0.459 nan 8.370 nan 0.000 0.469 44 E N 0.172 120.398 120.200 0.043 0.000 2.110 44 E HA 0.186 4.536 4.350 -0.000 0.000 0.193 44 E C 1.319 177.958 176.600 0.064 0.000 0.950 44 E CA 0.333 56.765 56.400 0.052 0.000 0.840 44 E CB 0.117 29.857 29.700 0.067 0.000 0.809 44 E HN 0.069 nan 8.360 nan 0.000 0.465 45 G N 0.870 109.735 108.800 0.109 0.000 2.533 45 G HA2 0.512 4.472 3.960 -0.000 0.000 0.304 45 G HA3 0.512 4.472 3.960 -0.000 0.000 0.304 45 G C -1.128 173.850 174.900 0.129 0.000 1.263 45 G CA -0.466 44.734 45.100 0.167 0.000 0.964 45 G HN -0.036 nan 8.290 nan 0.000 0.479 46 V N 0.544 120.500 119.914 0.071 0.000 2.448 46 V HA 0.734 4.854 4.120 -0.000 0.000 0.295 46 V C 0.247 176.373 176.094 0.053 0.000 1.025 46 V CA -0.684 61.628 62.300 0.020 0.000 0.859 46 V CB 1.287 33.065 31.823 -0.075 0.000 0.988 46 V HN 1.126 nan 8.190 nan 0.000 0.431 47 A N 4.888 127.737 122.820 0.048 0.000 2.330 47 A HA 0.869 5.189 4.320 -0.000 0.000 0.327 47 A C -1.095 176.464 177.584 -0.043 0.000 1.155 47 A CA -0.554 51.499 52.037 0.027 0.000 0.803 47 A CB 1.292 20.285 19.000 -0.013 0.000 1.208 47 A HN 0.815 nan 8.150 nan 0.000 0.477 48 L N 3.330 124.526 121.223 -0.046 0.000 2.265 48 L HA 0.605 4.945 4.340 -0.000 0.000 0.289 48 L C -0.912 175.941 176.870 -0.029 0.000 1.033 48 L CA -0.161 54.649 54.840 -0.050 0.000 0.814 48 L CB 0.687 42.715 42.059 -0.052 0.000 1.203 48 L HN 0.581 nan 8.230 nan 0.000 0.423 49 I N 5.837 126.370 120.570 -0.061 0.000 2.304 49 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 49 I C -0.300 175.849 176.117 0.054 0.000 1.018 49 I CA -0.376 60.901 61.300 -0.038 0.000 1.260 49 I CB 0.439 38.289 38.000 -0.248 0.000 1.390 49 I HN 0.677 nan 8.210 nan 0.000 0.475 50 D N 4.053 124.506 120.400 0.089 0.000 10.226 50 D HA -0.225 4.415 4.640 -0.000 0.000 0.359 50 D C -0.520 175.824 176.300 0.074 0.000 2.990 50 D CA 1.111 55.178 54.000 0.112 0.000 2.347 50 D CB -0.116 40.775 40.800 0.151 0.000 1.140 50 D HN 0.868 nan 8.370 nan 0.000 1.059 51 N N -1.381 117.378 118.700 0.097 0.000 3.132 51 N HA 0.640 5.380 4.740 -0.000 0.000 0.246 51 N C -0.792 174.771 175.510 0.087 0.000 1.568 51 N CA 0.132 53.218 53.050 0.060 0.000 0.957 51 N CB 0.582 39.102 38.487 0.055 0.000 2.748 51 N HN 0.665 nan 8.380 nan 0.000 0.377 52 S N -2.901 112.821 115.700 0.037 0.000 2.752 52 S HA 0.359 4.829 4.470 -0.000 0.000 0.284 52 S C -1.501 173.002 174.600 -0.161 0.000 1.189 52 S CA -0.943 57.244 58.200 -0.021 0.000 0.835 52 S CB 0.359 63.619 63.200 0.100 0.000 1.192 52 S HN 0.491 nan 8.310 nan 0.000 0.506 53 Y N 2.587 122.580 120.300 -0.513 0.000 2.578 53 Y HA 0.348 4.898 4.550 -0.000 0.000 0.339 53 Y C -2.478 173.327 175.900 -0.158 0.000 1.231 53 Y CA -0.710 57.130 58.100 -0.434 0.000 1.461 53 Y CB 0.267 38.359 38.460 -0.613 0.000 1.323 53 Y HN 0.433 nan 8.280 nan 0.000 0.590 54 P HA 0.080 nan 4.420 nan 0.000 0.265 54 P C 0.336 177.602 177.300 -0.056 0.000 1.187 54 P CA 2.084 64.991 63.100 -0.322 0.000 0.766 54 P CB 0.444 31.895 31.700 -0.415 0.000 0.820 55 G N 1.655 110.465 108.800 0.017 0.000 2.195 55 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.246 55 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.246 55 G C 0.660 175.638 174.900 0.130 0.000 0.984 55 G CA 0.495 45.649 45.100 0.090 0.000 0.633 55 G HN 0.694 nan 8.290 nan 0.000 0.525 56 T N -2.308 112.330 114.554 0.141 0.000 3.134 56 T HA 0.449 4.799 4.350 -0.000 0.000 0.260 56 T C 1.566 176.346 174.700 0.134 0.000 1.027 56 T CA 0.651 62.838 62.100 0.145 0.000 0.913 56 T CB 0.009 68.979 68.868 0.170 0.000 1.046 56 T HN 0.452 nan 8.240 nan 0.000 0.553 57 F N 3.265 123.212 119.950 -0.006 0.000 2.126 57 F HA -0.088 4.439 4.527 -0.000 0.000 0.299 57 F C 1.575 177.364 175.800 -0.018 0.000 1.096 57 F CA 1.440 59.425 58.000 -0.025 0.000 1.255 57 F CB -0.280 38.694 39.000 -0.044 0.000 0.997 57 F HN 0.137 nan 8.300 nan 0.000 0.479 58 D N 0.016 120.393 120.400 -0.038 0.000 2.117 58 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 58 D C 2.157 178.362 176.300 -0.159 0.000 0.987 58 D CA 1.472 55.395 54.000 -0.128 0.000 0.829 58 D CB -0.431 40.368 40.800 -0.001 0.000 0.961 58 D HN 0.524 nan 8.370 nan 0.000 0.460 59 E N 0.588 120.739 120.200 -0.081 0.000 2.017 59 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 59 E C 2.345 178.859 176.600 -0.144 0.000 0.997 59 E CA 0.586 56.947 56.400 -0.065 0.000 0.804 59 E CB -0.181 29.525 29.700 0.010 0.000 0.757 59 E HN 0.155 nan 8.360 nan 0.000 0.448 60 L N 0.096 121.211 121.223 -0.179 0.000 2.012 60 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 60 L C 2.534 179.230 176.870 -0.290 0.000 1.073 60 L CA 1.546 56.247 54.840 -0.230 0.000 0.748 60 L CB -0.220 41.741 42.059 -0.163 0.000 0.891 60 L HN 0.299 nan 8.230 nan 0.000 0.431 61 M N -0.165 119.159 119.600 -0.459 0.000 2.213 61 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 61 M C 2.143 178.286 176.300 -0.260 0.000 1.062 61 M CA 1.813 56.833 55.300 -0.465 0.000 1.105 61 M CB -0.677 31.390 32.600 -0.887 0.000 1.385 61 M HN 0.406 nan 8.290 nan 0.000 0.417 62 A N -0.175 122.516 122.820 -0.215 0.000 1.902 62 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 62 A C 2.280 179.800 177.584 -0.108 0.000 1.181 62 A CA 1.684 53.645 52.037 -0.127 0.000 0.623 62 A CB -0.517 18.431 19.000 -0.086 0.000 0.818 62 A HN 0.539 nan 8.150 nan 0.000 0.443 63 R N -0.735 119.686 120.500 -0.131 0.000 2.073 63 R HA -0.038 4.302 4.340 -0.000 0.000 0.229 63 R C 2.065 178.281 176.300 -0.139 0.000 1.120 63 R CA 1.289 57.313 56.100 -0.126 0.000 0.967 63 R CB -0.632 29.545 30.300 -0.205 0.000 0.862 63 R HN 0.379 nan 8.270 nan 0.000 0.436 64 V N 1.696 121.518 119.914 -0.154 0.000 2.287 64 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 64 V C 2.073 178.106 176.094 -0.102 0.000 1.053 64 V CA 1.907 64.133 62.300 -0.123 0.000 1.027 64 V CB -0.463 31.315 31.823 -0.075 0.000 0.646 64 V HN 0.359 nan 8.190 nan 0.000 0.447 65 E N -0.324 119.828 120.200 -0.080 0.000 2.118 65 E HA -0.293 4.057 4.350 -0.000 0.000 0.195 65 E C 1.966 178.516 176.600 -0.083 0.000 0.992 65 E CA 1.619 57.984 56.400 -0.060 0.000 0.804 65 E CB -0.187 29.481 29.700 -0.054 0.000 0.741 65 E HN 0.701 nan 8.360 nan 0.000 0.458 66 D N 0.232 120.575 120.400 -0.094 0.000 2.117 66 D HA -0.103 4.537 4.640 -0.000 0.000 0.198 66 D C 1.906 178.094 176.300 -0.187 0.000 0.982 66 D CA 1.424 55.367 54.000 -0.095 0.000 0.828 66 D CB -0.055 40.715 40.800 -0.050 0.000 0.967 66 D HN 0.129 nan 8.370 nan 0.000 0.464 67 A N 0.526 123.177 122.820 -0.282 0.000 1.859 67 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 67 A C 2.469 179.747 177.584 -0.511 0.000 1.198 67 A CA 1.697 53.357 52.037 -0.627 0.000 0.629 67 A CB -1.195 17.502 19.000 -0.505 0.000 0.830 67 A HN 0.393 nan 8.150 nan 0.000 0.446 68 L N -0.917 120.143 121.223 -0.271 0.000 2.081 68 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 68 L C 2.968 179.763 176.870 -0.125 0.000 1.080 68 L CA 1.791 56.532 54.840 -0.165 0.000 0.754 68 L CB -0.501 41.502 42.059 -0.095 0.000 0.893 68 L HN 0.546 nan 8.230 nan 0.000 0.433 69 Q N -0.088 119.643 119.800 -0.115 0.000 2.079 69 Q HA -0.223 4.117 4.340 -0.000 0.000 0.200 69 Q C 2.176 178.134 176.000 -0.070 0.000 0.974 69 Q CA 1.577 57.337 55.803 -0.072 0.000 0.840 69 Q CB 0.021 28.727 28.738 -0.053 0.000 0.898 69 Q HN 0.608 nan 8.270 nan 0.000 0.430 70 Q N -0.250 119.479 119.800 -0.117 0.000 2.084 70 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 70 Q C 2.074 178.068 176.000 -0.010 0.000 0.978 70 Q CA 1.876 57.644 55.803 -0.058 0.000 0.844 70 Q CB -0.046 28.654 28.738 -0.063 0.000 0.898 70 Q HN 0.410 nan 8.270 nan 0.000 0.426 71 V N -3.328 116.549 119.914 -0.062 0.000 3.306 71 V HA 0.284 4.404 4.120 -0.000 0.000 0.264 71 V C 1.098 177.195 176.094 0.004 0.000 1.149 71 V CA 0.737 63.047 62.300 0.017 0.000 1.143 71 V CB -0.564 31.280 31.823 0.034 0.000 0.767 71 V HN 0.412 nan 8.190 nan 0.000 0.476 72 G N 0.730 109.519 108.800 -0.018 0.000 2.272 72 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.280 72 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.280 72 G C -0.191 174.701 174.900 -0.013 0.000 1.067 72 G CA 0.746 45.839 45.100 -0.011 0.000 0.902 72 G HN 0.439 nan 8.290 nan 0.000 0.500 73 M N -1.374 118.209 119.600 -0.028 0.000 2.664 73 M HA 0.517 4.997 4.480 -0.000 0.000 0.314 73 M C 0.950 177.233 176.300 -0.030 0.000 1.200 73 M CA -0.738 54.545 55.300 -0.028 0.000 0.916 73 M CB 1.725 34.304 32.600 -0.035 0.000 1.717 73 M HN 0.024 nan 8.290 nan 0.000 0.470 74 E N 0.996 121.183 120.200 -0.023 0.000 2.307 74 E HA 0.113 4.463 4.350 -0.000 0.000 0.195 74 E C -0.120 176.493 176.600 0.022 0.000 0.975 74 E CA 0.607 57.006 56.400 -0.001 0.000 0.878 74 E CB 0.645 30.347 29.700 0.004 0.000 0.845 74 E HN 0.553 nan 8.360 nan 0.000 0.488 75 R N -2.063 118.413 120.500 -0.040 0.000 2.712 75 R HA 0.420 4.760 4.340 -0.000 0.000 0.272 75 R C -1.323 174.756 176.300 -0.368 0.000 1.032 75 R CA -0.796 55.240 56.100 -0.108 0.000 0.874 75 R CB 0.703 31.010 30.300 0.012 0.000 1.256 75 R HN -0.200 nan 8.270 nan 0.000 0.468 76 V N 2.263 121.642 119.914 -0.891 0.000 2.455 76 V HA 0.079 4.199 4.120 -0.000 0.000 0.273 76 V C 0.278 176.024 176.094 -0.580 0.000 1.045 76 V CA 0.157 61.983 62.300 -0.790 0.000 0.976 76 V CB 1.201 32.353 31.823 -1.118 0.000 0.993 76 V HN 0.792 nan 8.190 nan 0.000 0.475 77 D N 3.084 123.234 120.400 -0.416 0.000 2.355 77 D HA 0.080 4.720 4.640 -0.000 0.000 0.206 77 D C -0.465 175.409 176.300 -0.709 0.000 1.010 77 D CA 1.090 54.738 54.000 -0.586 0.000 0.875 77 D CB 0.609 40.942 40.800 -0.779 0.000 0.966 77 D HN 0.577 nan 8.370 nan 0.000 0.512 78 Y N 0.060 120.318 120.300 -0.071 0.000 2.433 78 Y HA 0.441 4.991 4.550 -0.000 0.000 0.337 78 Y C -0.305 175.583 175.900 -0.020 0.000 1.026 78 Y CA -0.769 57.328 58.100 -0.004 0.000 1.037 78 Y CB 1.699 40.078 38.460 -0.136 0.000 1.245 78 Y HN -0.312 nan 8.280 nan 0.000 0.443 79 I N 4.902 125.597 120.570 0.209 0.000 2.339 79 I HA 0.390 4.560 4.170 -0.000 0.000 0.290 79 I C -0.938 175.288 176.117 0.182 0.000 0.994 79 I CA -0.585 60.794 61.300 0.132 0.000 1.191 79 I CB 1.014 39.069 38.000 0.093 0.000 1.343 79 I HN 0.418 nan 8.210 nan 0.000 0.458 80 I N 5.873 126.525 120.570 0.136 0.000 2.377 80 I HA 0.285 4.455 4.170 -0.000 0.000 0.293 80 I C -0.111 176.096 176.117 0.151 0.000 0.987 80 I CA -0.327 61.074 61.300 0.169 0.000 1.185 80 I CB 1.549 39.648 38.000 0.166 0.000 1.341 80 I HN 0.445 nan 8.210 nan 0.000 0.455 81 Q N 4.497 124.399 119.800 0.170 0.000 2.523 81 Q HA 0.385 4.725 4.340 -0.000 0.000 0.251 81 Q C 0.234 176.352 176.000 0.198 0.000 1.033 81 Q CA -0.126 55.779 55.803 0.171 0.000 0.746 81 Q CB 0.408 29.246 28.738 0.167 0.000 1.189 81 Q HN 0.423 nan 8.270 nan 0.000 0.508 82 N N 1.450 120.282 118.700 0.221 0.000 2.443 82 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 82 N C -0.485 175.201 175.510 0.293 0.000 1.037 82 N CA 0.802 54.007 53.050 0.258 0.000 0.896 82 N CB -0.015 38.636 38.487 0.274 0.000 0.959 82 N HN 0.550 nan 8.380 nan 0.000 0.442 83 H N -1.979 117.166 119.070 0.127 0.000 3.121 83 H HA 0.142 4.698 4.556 -0.000 0.000 0.337 83 H C 0.313 175.707 175.328 0.110 0.000 1.198 83 H CA -0.764 55.344 56.048 0.101 0.000 1.274 83 H CB 0.569 30.364 29.762 0.055 0.000 1.954 83 H HN -0.219 nan 8.280 nan 0.000 0.531 84 V N 1.178 121.049 119.914 -0.073 0.000 3.406 84 V HA 0.191 4.311 4.120 -0.000 0.000 0.263 84 V C 0.775 176.632 176.094 -0.395 0.000 1.172 84 V CA 0.954 63.162 62.300 -0.153 0.000 1.140 84 V CB -0.540 31.258 31.823 -0.041 0.000 0.784 84 V HN 0.699 nan 8.190 nan 0.000 0.467 85 E N 2.375 122.138 120.200 -0.729 0.000 2.608 85 E HA -0.105 4.245 4.350 -0.000 0.000 0.259 85 E C 1.554 177.995 176.600 -0.265 0.000 0.951 85 E CA 0.739 56.853 56.400 -0.477 0.000 0.945 85 E CB 0.735 30.170 29.700 -0.441 0.000 0.916 85 E HN 0.692 nan 8.360 nan 0.000 0.477 86 K N 3.192 123.459 120.400 -0.222 0.000 2.281 86 K HA -0.214 4.106 4.320 -0.000 0.000 0.203 86 K C 0.560 177.044 176.600 -0.194 0.000 1.046 86 K CA 1.718 57.897 56.287 -0.181 0.000 0.938 86 K CB -0.060 32.350 32.500 -0.150 0.000 0.737 86 K HN 0.594 nan 8.250 nan 0.000 0.458 87 D N -0.190 120.104 120.400 -0.177 0.000 2.349 87 D HA -0.134 4.506 4.640 -0.000 0.000 0.224 87 D C 0.991 176.937 176.300 -0.590 0.000 1.029 87 D CA 0.660 54.436 54.000 -0.373 0.000 0.879 87 D CB -0.114 40.546 40.800 -0.234 0.000 0.906 87 D HN 0.433 nan 8.370 nan 0.000 0.528 88 H N -0.861 118.201 119.070 -0.015 0.000 3.170 88 H HA 0.276 4.832 4.556 -0.000 0.000 0.264 88 H C 0.916 176.235 175.328 -0.015 0.000 1.113 88 H CA 0.785 56.842 56.048 0.015 0.000 1.194 88 H CB 0.751 30.555 29.762 0.069 0.000 1.553 88 H HN 0.302 nan 8.280 nan 0.000 0.538 89 S N -0.534 115.171 115.700 0.010 0.000 2.780 89 S HA 0.162 4.632 4.470 -0.000 0.000 0.248 89 S C 1.924 176.456 174.600 -0.113 0.000 1.036 89 S CA 0.246 58.444 58.200 -0.005 0.000 1.061 89 S CB 0.245 63.486 63.200 0.069 0.000 1.037 89 S HN 0.227 nan 8.310 nan 0.000 0.584 90 G N 2.030 110.749 108.800 -0.135 0.000 2.448 90 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.219 90 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.219 90 G C 1.131 175.888 174.900 -0.237 0.000 1.127 90 G CA 1.278 46.259 45.100 -0.200 0.000 0.766 90 G HN 1.173 nan 8.290 nan 0.000 0.552 91 V N -1.899 117.913 119.914 -0.170 0.000 3.214 91 V HA 0.426 4.546 4.120 -0.000 0.000 0.330 91 V C 1.868 177.854 176.094 -0.180 0.000 1.403 91 V CA -0.289 61.930 62.300 -0.134 0.000 1.143 91 V CB 0.289 32.181 31.823 0.115 0.000 1.098 91 V HN 0.081 nan 8.190 nan 0.000 0.463 92 L N 0.944 122.003 121.223 -0.273 0.000 2.012 92 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 92 L C 2.435 179.165 176.870 -0.234 0.000 1.073 92 L CA 2.356 57.056 54.840 -0.233 0.000 0.748 92 L CB -0.554 41.329 42.059 -0.293 0.000 0.891 92 L HN 0.242 nan 8.230 nan 0.000 0.431 93 V N -0.216 119.480 119.914 -0.364 0.000 2.332 93 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 93 V C 2.516 178.470 176.094 -0.233 0.000 1.055 93 V CA 2.093 64.252 62.300 -0.235 0.000 1.038 93 V CB -0.660 31.018 31.823 -0.242 0.000 0.651 93 V HN 0.524 nan 8.190 nan 0.000 0.450 94 E N -0.162 119.799 120.200 -0.397 0.000 2.106 94 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 94 E C 2.231 178.472 176.600 -0.599 0.000 0.984 94 E CA 1.084 57.064 56.400 -0.700 0.000 0.806 94 E CB -0.179 28.760 29.700 -1.269 0.000 0.750 94 E HN 0.505 nan 8.360 nan 0.000 0.458 95 L N 0.247 121.324 121.223 -0.243 0.000 2.093 95 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 95 L C 2.586 179.514 176.870 0.097 0.000 1.085 95 L CA 1.120 56.023 54.840 0.104 0.000 0.755 95 L CB -0.350 41.848 42.059 0.231 0.000 0.904 95 L HN 0.194 nan 8.230 nan 0.000 0.435 96 H N 0.079 119.107 119.070 -0.070 0.000 2.423 96 H HA -0.134 4.422 4.556 -0.000 0.000 0.297 96 H C 2.360 177.637 175.328 -0.085 0.000 1.075 96 H CA 1.443 57.455 56.048 -0.060 0.000 1.342 96 H CB 0.102 29.801 29.762 -0.105 0.000 1.395 96 H HN 0.067 nan 8.280 nan 0.000 0.530 97 R N -0.248 120.092 120.500 -0.266 0.000 2.092 97 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 97 R C 2.232 178.352 176.300 -0.300 0.000 1.119 97 R CA 1.333 57.246 56.100 -0.312 0.000 0.970 97 R CB 0.010 30.159 30.300 -0.253 0.000 0.864 97 R HN 0.185 nan 8.270 nan 0.000 0.440 98 R N -0.447 119.862 120.500 -0.318 0.000 2.093 98 R HA -0.014 4.326 4.340 -0.000 0.000 0.224 98 R C -0.185 175.723 176.300 -0.654 0.000 1.101 98 R CA 1.259 57.051 56.100 -0.513 0.000 0.979 98 R CB 0.196 30.129 30.300 -0.611 0.000 0.877 98 R HN 0.091 nan 8.270 nan 0.000 0.441 99 F N 1.072 120.979 119.950 -0.072 0.000 2.531 99 F HA 0.411 4.938 4.527 -0.000 0.000 0.333 99 F C -1.750 173.985 175.800 -0.109 0.000 1.292 99 F CA -2.577 55.381 58.000 -0.070 0.000 1.184 99 F CB 1.892 40.873 39.000 -0.032 0.000 1.426 99 F HN 0.004 nan 8.300 nan 0.000 0.559 100 P HA -0.136 nan 4.420 nan 0.000 0.225 100 P C 0.797 178.090 177.300 -0.010 0.000 1.148 100 P CA 1.300 64.265 63.100 -0.226 0.000 0.779 100 P CB 0.488 32.046 31.700 -0.237 0.000 0.780 101 E N -0.197 120.021 120.200 0.030 0.000 2.442 101 E HA 0.128 4.478 4.350 -0.000 0.000 0.195 101 E C 0.938 177.553 176.600 0.024 0.000 1.030 101 E CA 0.019 56.435 56.400 0.027 0.000 0.869 101 E CB -0.031 29.672 29.700 0.005 0.000 0.857 101 E HN 0.175 nan 8.360 nan 0.000 0.505 102 A N 3.540 126.394 122.820 0.057 0.000 2.350 102 A HA 0.373 4.693 4.320 -0.000 0.000 0.293 102 A C -2.314 175.314 177.584 0.074 0.000 1.231 102 A CA -1.327 50.727 52.037 0.028 0.000 0.883 102 A CB 0.030 19.044 19.000 0.023 0.000 1.133 102 A HN -0.143 nan 8.150 nan 0.000 0.533 103 P HA 0.213 nan 4.420 nan 0.000 0.270 103 P C -0.594 176.735 177.300 0.049 0.000 1.223 103 P CA 0.083 63.203 63.100 0.032 0.000 0.785 103 P CB 0.468 32.210 31.700 0.070 0.000 0.923 104 I N 1.789 122.247 120.570 -0.186 0.000 2.339 104 I HA 0.261 4.431 4.170 -0.000 0.000 0.290 104 I C -0.294 175.799 176.117 -0.039 0.000 0.994 104 I CA -0.581 60.642 61.300 -0.129 0.000 1.191 104 I CB 0.501 38.220 38.000 -0.468 0.000 1.343 104 I HN 0.280 nan 8.210 nan 0.000 0.458 105 Y N 5.910 126.204 120.300 -0.010 0.000 2.326 105 Y HA 0.530 5.080 4.550 -0.000 0.000 0.337 105 Y C 0.456 176.315 175.900 -0.068 0.000 1.023 105 Y CA -0.404 57.649 58.100 -0.079 0.000 1.143 105 Y CB 1.340 39.701 38.460 -0.166 0.000 1.183 105 Y HN 0.737 nan 8.280 nan 0.000 0.485 106 C N -0.618 118.697 119.300 0.024 0.000 3.259 106 C HA 0.662 5.122 4.460 -0.000 0.000 0.344 106 C C 0.100 175.086 174.990 -0.007 0.000 1.401 106 C CA -0.957 58.090 59.018 0.049 0.000 1.219 106 C CB 0.829 28.664 27.740 0.159 0.000 1.521 106 C HN 0.883 nan 8.230 nan 0.000 0.455 107 T N -1.506 113.062 114.554 0.023 0.000 2.788 107 T HA 0.259 4.609 4.350 -0.000 0.000 0.287 107 T C 0.958 175.649 174.700 -0.014 0.000 1.007 107 T CA 0.834 62.938 62.100 0.006 0.000 1.005 107 T CB 0.742 69.631 68.868 0.034 0.000 1.012 107 T HN 1.070 nan 8.240 nan 0.000 0.530 108 E N -0.003 120.182 120.200 -0.026 0.000 2.058 108 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 108 E C 1.898 178.464 176.600 -0.056 0.000 0.997 108 E CA 1.534 57.905 56.400 -0.049 0.000 0.801 108 E CB -0.260 29.418 29.700 -0.037 0.000 0.746 108 E HN 0.544 nan 8.360 nan 0.000 0.450 109 V N 1.357 121.257 119.914 -0.023 0.000 2.515 109 V HA -0.190 3.930 4.120 -0.000 0.000 0.250 109 V C 2.559 178.651 176.094 -0.003 0.000 1.058 109 V CA 1.575 63.869 62.300 -0.010 0.000 1.064 109 V CB -0.674 31.160 31.823 0.018 0.000 0.675 109 V HN 0.434 nan 8.190 nan 0.000 0.461 110 A N -0.230 122.600 122.820 0.016 0.000 2.019 110 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 110 A C 2.337 179.909 177.584 -0.020 0.000 1.164 110 A CA 1.734 53.798 52.037 0.046 0.000 0.644 110 A CB -0.461 18.599 19.000 0.098 0.000 0.805 110 A HN 0.365 nan 8.150 nan 0.000 0.449 111 V N 0.583 120.407 119.914 -0.150 0.000 2.358 111 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 111 V C 2.450 178.367 176.094 -0.296 0.000 1.047 111 V CA 2.001 64.043 62.300 -0.429 0.000 1.035 111 V CB -0.568 30.886 31.823 -0.615 0.000 0.658 111 V HN 0.467 nan 8.190 nan 0.000 0.452 112 K N 0.955 121.253 120.400 -0.172 0.000 2.026 112 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 112 K C 2.301 178.864 176.600 -0.061 0.000 1.048 112 K CA 1.716 57.936 56.287 -0.112 0.000 0.929 112 K CB -1.183 31.271 32.500 -0.075 0.000 0.713 112 K HN 0.515 nan 8.250 nan 0.000 0.439 113 G N 1.739 110.533 108.800 -0.011 0.000 2.418 113 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 113 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 113 G C 1.702 176.683 174.900 0.134 0.000 1.158 113 G CA 0.507 45.647 45.100 0.067 0.000 0.771 113 G HN 0.144 nan 8.290 nan 0.000 0.545 114 L N -0.216 121.064 121.223 0.096 0.000 2.156 114 L HA 0.108 4.448 4.340 -0.000 0.000 0.208 114 L C 2.827 179.797 176.870 0.166 0.000 1.095 114 L CA 0.260 55.218 54.840 0.197 0.000 0.770 114 L CB -0.266 41.980 42.059 0.311 0.000 0.914 114 L HN 0.177 nan 8.230 nan 0.000 0.439 115 L N -0.384 120.862 121.223 0.038 0.000 2.093 115 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 115 L C 2.619 179.470 176.870 -0.033 0.000 1.085 115 L CA 0.939 55.788 54.840 0.016 0.000 0.755 115 L CB -0.315 41.708 42.059 -0.061 0.000 0.904 115 L HN 0.150 nan 8.230 nan 0.000 0.435 116 K N -0.255 120.096 120.400 -0.082 0.000 2.057 116 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 116 K C 1.980 178.412 176.600 -0.280 0.000 1.049 116 K CA 1.605 57.791 56.287 -0.169 0.000 0.931 116 K CB -0.128 32.249 32.500 -0.203 0.000 0.714 116 K HN 0.328 nan 8.250 nan 0.000 0.440 117 H N -2.319 116.528 119.070 -0.372 0.000 2.395 117 H HA 0.014 4.570 4.556 -0.000 0.000 0.299 117 H C -0.121 174.765 175.328 -0.738 0.000 1.070 117 H CA 1.438 57.057 56.048 -0.716 0.000 1.356 117 H CB 0.190 29.182 29.762 -1.283 0.000 1.401 117 H HN 0.091 nan 8.280 nan 0.000 0.524 118 Y N -1.184 119.183 120.300 0.112 0.000 2.662 118 Y HA 0.283 4.833 4.550 -0.000 0.000 0.358 118 Y C -2.055 173.873 175.900 0.048 0.000 1.041 118 Y CA -3.243 54.894 58.100 0.062 0.000 1.184 118 Y CB 0.860 39.354 38.460 0.058 0.000 1.114 118 Y HN 0.050 nan 8.280 nan 0.000 0.650 119 P HA -0.209 nan 4.420 nan 0.000 0.218 119 P C 1.759 179.110 177.300 0.086 0.000 1.148 119 P CA 2.128 65.268 63.100 0.067 0.000 0.822 119 P CB 0.279 31.995 31.700 0.026 0.000 0.784 120 S N -0.704 115.056 115.700 0.100 0.000 2.442 120 S HA -0.121 4.349 4.470 -0.000 0.000 0.236 120 S C 1.759 176.411 174.600 0.087 0.000 1.007 120 S CA 0.880 59.129 58.200 0.081 0.000 0.965 120 S CB -1.623 61.620 63.200 0.071 0.000 0.773 120 S HN 0.122 nan 8.310 nan 0.000 0.504 121 L N 1.995 123.289 121.223 0.119 0.000 2.633 121 L HA 0.003 4.343 4.340 -0.000 0.000 0.235 121 L C 2.910 179.882 176.870 0.170 0.000 1.163 121 L CA 0.488 55.392 54.840 0.107 0.000 0.859 121 L CB -0.571 41.624 42.059 0.227 0.000 0.973 121 L HN 0.455 nan 8.230 nan 0.000 0.451 122 R N 0.766 121.343 120.500 0.128 0.000 2.170 122 R HA -0.236 4.104 4.340 -0.000 0.000 0.242 122 R C 1.499 177.851 176.300 0.088 0.000 1.145 122 R CA 1.653 57.815 56.100 0.104 0.000 0.984 122 R CB -0.603 29.731 30.300 0.057 0.000 0.869 122 R HN 0.411 nan 8.270 nan 0.000 0.455 123 E N 1.007 121.246 120.200 0.064 0.000 2.435 123 E HA 0.100 4.450 4.350 -0.000 0.000 0.195 123 E C 0.035 176.647 176.600 0.020 0.000 1.029 123 E CA 0.443 56.879 56.400 0.060 0.000 0.865 123 E CB 0.199 29.953 29.700 0.090 0.000 0.833 123 E HN 0.431 nan 8.360 nan 0.000 0.510 124 A N 1.058 123.794 122.820 -0.139 0.000 2.296 124 A HA 0.181 4.501 4.320 -0.000 0.000 0.264 124 A C 0.024 177.483 177.584 -0.209 0.000 1.097 124 A CA -0.294 51.485 52.037 -0.430 0.000 0.811 124 A CB 0.495 18.933 19.000 -0.937 0.000 1.072 124 A HN 0.197 nan 8.150 nan 0.000 0.495 125 E N 0.468 120.519 120.200 -0.249 0.000 2.109 125 E HA 0.443 4.792 4.350 -0.000 0.000 0.278 125 E C -1.684 174.749 176.600 -0.278 0.000 0.954 125 E CA -0.210 56.109 56.400 -0.135 0.000 0.779 125 E CB 0.389 30.054 29.700 -0.058 0.000 1.093 125 E HN 0.424 nan 8.360 nan 0.000 0.401 126 F N 3.822 123.706 119.950 -0.111 0.000 2.410 126 F HA 0.311 4.838 4.527 -0.000 0.000 0.349 126 F C 0.610 176.276 175.800 -0.223 0.000 1.117 126 F CA -0.675 57.236 58.000 -0.148 0.000 1.104 126 F CB 1.152 40.086 39.000 -0.109 0.000 1.122 126 F HN 0.288 nan 8.300 nan 0.000 0.483 127 M N 3.512 122.959 119.600 -0.256 0.000 2.103 127 M HA 0.153 4.633 4.480 -0.000 0.000 0.350 127 M C -0.153 175.945 176.300 -0.338 0.000 1.100 127 M CA -0.173 54.853 55.300 -0.457 0.000 1.042 127 M CB 0.751 32.658 32.600 -1.154 0.000 1.368 127 M HN 0.484 nan 8.290 nan 0.000 0.404 128 T N 3.433 117.900 114.554 -0.145 0.000 2.888 128 T HA 0.382 4.732 4.350 -0.000 0.000 0.301 128 T C 0.109 174.744 174.700 -0.109 0.000 1.001 128 T CA -0.149 61.894 62.100 -0.095 0.000 1.147 128 T CB 0.280 69.112 68.868 -0.059 0.000 0.931 128 T HN 0.545 nan 8.240 nan 0.000 0.541 129 V N 2.518 122.358 119.914 -0.123 0.000 2.919 129 V HA 0.935 5.055 4.120 -0.000 0.000 0.316 129 V C -0.620 175.458 176.094 -0.027 0.000 1.077 129 V CA -1.188 61.043 62.300 -0.115 0.000 0.977 129 V CB 1.969 33.563 31.823 -0.382 0.000 1.039 129 V HN 0.950 nan 8.190 nan 0.000 0.441 130 K N 0.386 120.809 120.400 0.039 0.000 2.439 130 K HA 0.637 4.957 4.320 -0.000 0.000 0.260 130 K C -0.483 176.187 176.600 0.117 0.000 1.032 130 K CA -0.652 55.672 56.287 0.062 0.000 0.882 130 K CB 1.437 33.961 32.500 0.040 0.000 1.420 130 K HN 0.575 nan 8.250 nan 0.000 0.455 131 T N 0.678 115.290 114.554 0.096 0.000 2.908 131 T HA 0.285 4.635 4.350 -0.000 0.000 0.301 131 T C 1.147 175.911 174.700 0.106 0.000 1.019 131 T CA 1.508 63.673 62.100 0.107 0.000 1.152 131 T CB 0.222 69.129 68.868 0.065 0.000 0.966 131 T HN 0.962 nan 8.240 nan 0.000 0.540 132 G N 3.371 112.244 108.800 0.121 0.000 2.258 132 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.233 132 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.233 132 G C -0.058 174.915 174.900 0.123 0.000 1.006 132 G CA -0.276 44.881 45.100 0.095 0.000 0.620 132 G HN 0.675 nan 8.290 nan 0.000 0.511 133 D N 0.676 121.198 120.400 0.202 0.000 2.443 133 D HA 0.462 5.102 4.640 -0.000 0.000 0.239 133 D C 0.560 177.044 176.300 0.307 0.000 1.136 133 D CA 0.509 54.672 54.000 0.272 0.000 0.879 133 D CB 1.664 42.660 40.800 0.328 0.000 1.195 133 D HN 0.366 nan 8.370 nan 0.000 0.443 134 V N 2.390 122.434 119.914 0.218 0.000 2.680 134 V HA 0.359 4.479 4.120 -0.000 0.000 0.309 134 V C -0.443 175.721 176.094 0.116 0.000 1.052 134 V CA -0.996 61.347 62.300 0.072 0.000 0.908 134 V CB 2.031 33.859 31.823 0.008 0.000 1.001 134 V HN 0.264 nan 8.190 nan 0.000 0.431 135 L N 3.278 124.476 121.223 -0.041 0.000 2.316 135 L HA 0.624 4.964 4.340 -0.000 0.000 0.280 135 L C -0.602 176.145 176.870 -0.206 0.000 1.006 135 L CA -0.102 54.652 54.840 -0.143 0.000 0.836 135 L CB 1.133 43.023 42.059 -0.281 0.000 1.221 135 L HN 0.755 nan 8.230 nan 0.000 0.418 136 D N 3.974 124.281 120.400 -0.154 0.000 2.295 136 D HA 0.244 4.884 4.640 -0.000 0.000 0.248 136 D C 0.630 176.863 176.300 -0.112 0.000 1.154 136 D CA 0.090 54.027 54.000 -0.104 0.000 0.857 136 D CB 0.939 41.713 40.800 -0.042 0.000 1.117 136 D HN 0.606 nan 8.370 nan 0.000 0.468 137 L N 2.647 123.824 121.223 -0.078 0.000 2.638 137 L HA 0.363 4.703 4.340 -0.000 0.000 0.232 137 L C 0.890 177.773 176.870 0.021 0.000 1.099 137 L CA 0.144 54.973 54.840 -0.019 0.000 0.883 137 L CB 0.117 42.161 42.059 -0.024 0.000 1.136 137 L HN 0.701 nan 8.230 nan 0.000 0.492 138 G N -0.062 108.742 108.800 0.005 0.000 2.826 138 G HA2 0.141 4.101 3.960 -0.000 0.000 0.623 138 G HA3 0.141 4.101 3.960 -0.000 0.000 0.623 138 G C 0.634 175.539 174.900 0.008 0.000 1.127 138 G CA -0.165 44.943 45.100 0.013 0.000 1.165 138 G HN 0.448 nan 8.290 nan 0.000 0.504 139 G N 0.492 109.292 108.800 0.000 0.000 2.284 139 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.247 139 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.247 139 G C 0.395 175.291 174.900 -0.008 0.000 1.012 139 G CA 1.203 46.302 45.100 -0.002 0.000 0.618 139 G HN 1.253 nan 8.290 nan 0.000 0.521 140 K N 1.142 121.535 120.400 -0.011 0.000 2.345 140 K HA 0.608 4.928 4.320 -0.000 0.000 0.255 140 K C -0.469 176.102 176.600 -0.048 0.000 0.934 140 K CA 0.001 56.276 56.287 -0.021 0.000 0.801 140 K CB 2.037 34.535 32.500 -0.004 0.000 1.137 140 K HN 0.326 nan 8.250 nan 0.000 0.424 141 T N 0.125 114.641 114.554 -0.064 0.000 2.861 141 T HA 0.521 4.871 4.350 -0.000 0.000 0.287 141 T C -0.313 174.300 174.700 -0.146 0.000 1.003 141 T CA -0.943 61.094 62.100 -0.104 0.000 0.977 141 T CB 0.683 69.500 68.868 -0.085 0.000 0.996 141 T HN 0.298 nan 8.240 nan 0.000 0.448 142 L N 2.742 123.817 121.223 -0.246 0.000 2.289 142 L HA 0.562 4.902 4.340 -0.000 0.000 0.285 142 L C 0.134 176.649 176.870 -0.592 0.000 1.049 142 L CA -0.749 53.851 54.840 -0.400 0.000 0.804 142 L CB 1.599 43.347 42.059 -0.520 0.000 1.195 142 L HN 0.762 nan 8.230 nan 0.000 0.428 143 T N 2.709 116.973 114.554 -0.483 0.000 2.792 143 T HA 0.545 4.895 4.350 -0.000 0.000 0.280 143 T C -0.457 174.031 174.700 -0.355 0.000 0.990 143 T CA -0.356 61.523 62.100 -0.368 0.000 0.960 143 T CB 0.620 69.411 68.868 -0.129 0.000 0.939 143 T HN 0.070 nan 8.240 nan 0.000 0.439 144 F N 2.899 122.900 119.950 0.085 0.000 2.385 144 F HA 0.676 5.203 4.527 -0.000 0.000 0.336 144 F C 0.026 175.885 175.800 0.098 0.000 1.100 144 F CA -1.338 56.727 58.000 0.110 0.000 1.116 144 F CB 0.924 39.989 39.000 0.109 0.000 1.166 144 F HN 0.248 nan 8.300 nan 0.000 0.511 145 L N 2.853 124.246 121.223 0.283 0.000 2.441 145 L HA 0.448 4.788 4.340 -0.000 0.000 0.270 145 L C -0.791 176.115 176.870 0.060 0.000 0.973 145 L CA -0.706 54.224 54.840 0.150 0.000 0.842 145 L CB 1.507 43.653 42.059 0.146 0.000 1.239 145 L HN 0.613 nan 8.230 nan 0.000 0.406 146 E N 2.380 122.596 120.200 0.027 0.000 2.360 146 E HA 0.385 4.735 4.350 -0.000 0.000 0.269 146 E C -0.193 176.327 176.600 -0.133 0.000 1.022 146 E CA 0.328 56.717 56.400 -0.018 0.000 0.887 146 E CB 0.590 30.291 29.700 0.002 0.000 0.990 146 E HN 0.640 nan 8.360 nan 0.000 0.426 147 T N -0.010 114.445 114.554 -0.165 0.000 3.585 147 T HA 0.241 4.591 4.350 -0.000 0.000 0.252 147 T C -2.386 172.253 174.700 -0.100 0.000 1.382 147 T CA -1.789 60.161 62.100 -0.249 0.000 1.584 147 T CB 0.588 69.120 68.868 -0.560 0.000 0.892 147 T HN 0.103 nan 8.240 nan 0.000 0.671 148 P HA -0.044 nan 4.420 nan 0.000 0.215 148 P C 0.887 178.137 177.300 -0.082 0.000 1.157 148 P CA 0.798 63.877 63.100 -0.034 0.000 0.874 148 P CB -0.129 31.540 31.700 -0.052 0.000 0.790 149 L N -3.174 117.939 121.223 -0.183 0.000 3.781 149 L HA -0.259 4.081 4.340 -0.000 0.000 0.426 149 L C 1.219 177.878 176.870 -0.352 0.000 1.197 149 L CA 0.566 55.214 54.840 -0.320 0.000 0.907 149 L CB -1.795 39.938 42.059 -0.542 0.000 1.812 149 L HN -0.067 nan 8.230 nan 0.000 0.956 150 L N -1.384 119.668 121.223 -0.284 0.000 3.419 150 L HA -0.443 3.897 4.340 -0.000 0.000 0.211 150 L C 1.523 178.185 176.870 -0.346 0.000 4.425 150 L CA 2.837 57.441 54.840 -0.393 0.000 0.584 150 L CB -0.906 40.787 42.059 -0.611 0.000 3.534 150 L HN 0.570 nan 8.230 nan 0.000 0.751 151 H N -2.812 116.228 119.070 -0.050 0.000 2.549 151 H HA 0.196 4.752 4.556 -0.000 0.000 0.279 151 H C -0.130 175.436 175.328 0.397 0.000 1.018 151 H CA 0.538 56.649 56.048 0.104 0.000 1.175 151 H CB 0.017 29.822 29.762 0.071 0.000 1.485 151 H HN 0.462 nan 8.280 nan 0.000 0.543 152 W N 2.170 123.481 121.300 0.019 0.000 1.639 152 W HA 0.330 4.990 4.660 -0.000 0.000 0.307 152 W C -1.922 174.591 176.519 -0.010 0.000 0.809 152 W CA -2.843 54.495 57.345 -0.011 0.000 2.583 152 W CB 0.385 29.776 29.460 -0.115 0.000 2.213 152 W HN 0.039 nan 8.180 nan 0.000 0.549 153 P HA -0.168 nan 4.420 nan 0.000 0.222 153 P C 1.151 178.519 177.300 0.113 0.000 1.147 153 P CA 1.781 64.950 63.100 0.116 0.000 0.790 153 P CB 0.202 31.954 31.700 0.087 0.000 0.780 154 D N -1.031 119.465 120.400 0.160 0.000 2.323 154 D HA -0.016 4.624 4.640 -0.000 0.000 0.209 154 D C 0.302 176.702 176.300 0.167 0.000 0.973 154 D CA 0.184 54.278 54.000 0.158 0.000 0.874 154 D CB -0.322 40.596 40.800 0.198 0.000 0.930 154 D HN 0.057 nan 8.370 nan 0.000 0.521 155 S N 0.608 116.401 115.700 0.154 0.000 2.579 155 S HA 0.419 4.889 4.470 -0.000 0.000 0.275 155 S C 0.462 175.121 174.600 0.100 0.000 1.345 155 S CA -0.285 57.985 58.200 0.116 0.000 1.031 155 S CB 0.869 64.122 63.200 0.089 0.000 0.892 155 S HN 0.411 nan 8.310 nan 0.000 0.529 156 M N 0.085 119.772 119.600 0.145 0.000 2.644 156 M HA 0.659 5.139 4.480 -0.000 0.000 0.273 156 M C -2.002 174.496 176.300 0.330 0.000 1.253 156 M CA -0.890 54.491 55.300 0.136 0.000 0.852 156 M CB 1.187 33.903 32.600 0.193 0.000 1.708 156 M HN 0.288 nan 8.290 nan 0.000 0.471 157 F N 0.525 120.605 119.950 0.216 0.000 2.397 157 F HA 0.703 5.230 4.527 -0.000 0.000 0.331 157 F C 0.159 176.104 175.800 0.240 0.000 1.090 157 F CA -0.866 57.265 58.000 0.219 0.000 1.065 157 F CB 1.998 41.106 39.000 0.180 0.000 1.184 157 F HN 0.579 nan 8.300 nan 0.000 0.499 158 T N 4.063 118.886 114.554 0.449 0.000 2.797 158 T HA 0.570 4.920 4.350 -0.000 0.000 0.279 158 T C -1.070 173.786 174.700 0.260 0.000 0.991 158 T CA -0.460 61.811 62.100 0.284 0.000 0.979 158 T CB 1.506 70.522 68.868 0.247 0.000 0.943 158 T HN 0.402 nan 8.240 nan 0.000 0.444 159 L N 4.038 125.311 121.223 0.082 0.000 2.341 159 L HA 0.722 5.062 4.340 -0.000 0.000 0.278 159 L C -1.267 175.598 176.870 -0.010 0.000 1.005 159 L CA -0.991 53.859 54.840 0.018 0.000 0.818 159 L CB 1.388 43.436 42.059 -0.017 0.000 1.259 159 L HN 0.534 nan 8.230 nan 0.000 0.418 160 L N 4.190 125.415 121.223 0.003 0.000 2.255 160 L HA 0.420 4.760 4.340 -0.000 0.000 0.289 160 L C 0.372 177.206 176.870 -0.061 0.000 1.046 160 L CA 0.404 55.247 54.840 0.005 0.000 0.816 160 L CB 0.804 42.925 42.059 0.103 0.000 1.197 160 L HN 0.749 nan 8.230 nan 0.000 0.427 161 D N 1.541 121.904 120.400 -0.061 0.000 2.183 161 D HA -0.103 4.537 4.640 -0.000 0.000 0.203 161 D C 1.287 177.551 176.300 -0.060 0.000 0.969 161 D CA 1.107 55.069 54.000 -0.065 0.000 0.842 161 D CB 0.434 41.199 40.800 -0.058 0.000 0.957 161 D HN 0.593 nan 8.370 nan 0.000 0.484 162 E N 0.351 120.521 120.200 -0.050 0.000 2.122 162 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 162 E C 1.009 177.578 176.600 -0.052 0.000 0.977 162 E CA 0.799 57.173 56.400 -0.045 0.000 0.820 162 E CB 0.068 29.748 29.700 -0.032 0.000 0.770 162 E HN 0.333 nan 8.360 nan 0.000 0.462 163 D N -0.549 119.817 120.400 -0.057 0.000 2.289 163 D HA 0.049 4.689 4.640 -0.000 0.000 0.207 163 D C 0.936 177.171 176.300 -0.108 0.000 0.966 163 D CA 0.940 54.897 54.000 -0.073 0.000 0.868 163 D CB 0.148 40.911 40.800 -0.062 0.000 0.943 163 D HN 0.247 nan 8.370 nan 0.000 0.514 164 G N 0.818 109.545 108.800 -0.121 0.000 2.256 164 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.272 164 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.272 164 G C -0.076 174.689 174.900 -0.224 0.000 1.076 164 G CA -0.246 44.763 45.100 -0.152 0.000 0.882 164 G HN 0.341 nan 8.290 nan 0.000 0.497 165 I N 0.055 120.451 120.570 -0.289 0.000 2.355 165 I HA 0.428 4.598 4.170 -0.000 0.000 0.288 165 I C 0.128 175.869 176.117 -0.626 0.000 0.999 165 I CA -1.091 59.902 61.300 -0.510 0.000 1.163 165 I CB 1.621 39.219 38.000 -0.670 0.000 1.316 165 I HN 0.099 nan 8.210 nan 0.000 0.454 166 L N 7.841 128.724 121.223 -0.568 0.000 2.255 166 L HA 0.437 4.777 4.340 -0.000 0.000 0.289 166 L C -0.955 175.579 176.870 -0.561 0.000 1.046 166 L CA 0.174 54.739 54.840 -0.459 0.000 0.816 166 L CB 0.116 41.954 42.059 -0.368 0.000 1.197 166 L HN 0.243 nan 8.230 nan 0.000 0.427 167 F N 3.738 123.591 119.950 -0.163 0.000 2.423 167 F HA 0.224 4.751 4.527 -0.000 0.000 0.356 167 F C 1.400 177.168 175.800 -0.053 0.000 1.170 167 F CA -0.160 57.763 58.000 -0.128 0.000 1.163 167 F CB 0.317 39.270 39.000 -0.077 0.000 1.318 167 F HN 0.662 nan 8.300 nan 0.000 0.569 168 S N 1.728 117.422 115.700 -0.009 0.000 2.583 168 S HA 0.167 4.637 4.470 -0.000 0.000 0.239 168 S C 0.640 175.361 174.600 0.200 0.000 0.966 168 S CA -0.100 57.948 58.200 -0.254 0.000 0.973 168 S CB -1.183 61.802 63.200 -0.358 0.000 0.794 168 S HN 0.844 nan 8.310 nan 0.000 0.463 169 N N 2.140 121.005 118.700 0.275 0.000 1.170 169 N HA -0.340 4.400 4.740 -0.000 0.000 0.121 169 N C -0.046 175.564 175.510 0.168 0.000 0.786 169 N CA 1.813 54.983 53.050 0.201 0.000 0.876 169 N CB -1.640 36.980 38.487 0.220 0.000 1.094 169 N HN 0.126 nan 8.380 nan 0.000 0.586 170 D N 0.188 120.692 120.400 0.173 0.000 2.224 170 D HA 0.119 4.759 4.640 -0.000 0.000 0.205 170 D C 0.722 177.301 176.300 0.464 0.000 0.965 170 D CA 1.350 55.564 54.000 0.356 0.000 0.852 170 D CB -0.804 40.143 40.800 0.244 0.000 0.947 170 D HN 0.820 nan 8.370 nan 0.000 0.494 171 A N 0.107 123.208 122.820 0.470 0.000 2.567 171 A HA 0.073 4.393 4.320 -0.000 0.000 0.240 171 A C 0.064 177.598 177.584 -0.083 0.000 1.053 171 A CA 0.033 52.160 52.037 0.151 0.000 0.755 171 A CB -0.591 18.385 19.000 -0.040 0.000 0.978 171 A HN 0.279 nan 8.150 nan 0.000 0.507 172 F N -0.669 119.355 119.950 0.124 0.000 2.794 172 F HA -0.224 4.303 4.527 -0.000 0.000 0.335 172 F C 1.290 177.209 175.800 0.197 0.000 0.653 172 F CA 0.744 58.719 58.000 -0.042 0.000 1.266 172 F CB -1.915 36.887 39.000 -0.330 0.000 1.666 172 F HN 0.923 nan 8.300 nan 0.000 0.314 173 G N -0.343 108.422 108.800 -0.059 0.000 2.616 173 G HA2 0.566 4.526 3.960 -0.000 0.000 0.268 173 G HA3 0.566 4.526 3.960 -0.000 0.000 0.268 173 G C -0.422 174.004 174.900 -0.790 0.000 1.213 173 G CA -0.199 44.636 45.100 -0.442 0.000 0.926 173 G HN 0.247 nan 8.290 nan 0.000 0.523 174 Q N -1.044 118.464 119.800 -0.486 0.000 2.353 174 Q HA 0.285 4.625 4.340 -0.000 0.000 0.275 174 Q C -1.338 174.628 176.000 -0.058 0.000 1.029 174 Q CA -0.781 54.923 55.803 -0.165 0.000 0.848 174 Q CB 1.637 30.419 28.738 0.073 0.000 1.390 174 Q HN 0.570 nan 8.270 nan 0.000 0.401 175 H N 2.317 121.562 119.070 0.291 0.000 3.008 175 H HA 0.424 4.980 4.556 -0.000 0.000 0.268 175 H C -0.811 174.602 175.328 0.143 0.000 1.323 175 H CA 0.100 56.276 56.048 0.214 0.000 1.401 175 H CB -0.145 29.790 29.762 0.289 0.000 1.556 175 H HN 0.403 nan 8.280 nan 0.000 0.502 176 L N 2.128 123.444 121.223 0.155 0.000 2.464 176 L HA 0.253 4.593 4.340 -0.000 0.000 0.266 176 L C -0.528 176.316 176.870 -0.043 0.000 0.965 176 L CA -0.599 54.275 54.840 0.057 0.000 0.833 176 L CB 2.700 44.771 42.059 0.019 0.000 1.296 176 L HN 0.474 nan 8.230 nan 0.000 0.405 177 C N 3.530 122.774 119.300 -0.092 0.000 2.294 177 C HA 0.769 5.229 4.460 -0.000 0.000 0.319 177 C C -0.020 174.801 174.990 -0.281 0.000 1.164 177 C CA -0.488 58.361 59.018 -0.281 0.000 1.497 177 C CB -0.961 26.553 27.740 -0.377 0.000 2.061 177 C HN 0.901 nan 8.230 nan 0.000 0.438 178 C N 6.030 125.156 119.300 -0.289 0.000 2.848 178 C HA 0.571 5.031 4.460 -0.000 0.000 0.317 178 C C -1.232 173.650 174.990 -0.181 0.000 1.260 178 C CA -0.805 58.130 59.018 -0.139 0.000 1.656 178 C CB 1.787 29.470 27.740 -0.095 0.000 2.174 178 C HN 0.636 nan 8.230 nan 0.000 0.479 179 P HA -0.001 nan 4.420 nan 0.000 0.222 179 P C -0.240 176.990 177.300 -0.115 0.000 1.153 179 P CA 1.043 64.148 63.100 0.009 0.000 0.798 179 P CB 0.132 31.909 31.700 0.127 0.000 0.796 180 Q N -0.498 119.231 119.800 -0.118 0.000 2.293 180 Q HA 0.243 4.583 4.340 -0.000 0.000 0.251 180 Q C 1.221 177.067 176.000 -0.258 0.000 0.930 180 Q CA 0.090 55.799 55.803 -0.156 0.000 0.893 180 Q CB 0.672 29.347 28.738 -0.105 0.000 1.215 180 Q HN -0.054 nan 8.270 nan 0.000 0.425 181 R N 1.036 121.359 120.500 -0.294 0.000 2.265 181 R HA 0.263 4.603 4.340 -0.000 0.000 0.194 181 R C -0.086 176.040 176.300 -0.291 0.000 0.931 181 R CA 0.261 56.121 56.100 -0.400 0.000 1.032 181 R CB 0.222 30.234 30.300 -0.481 0.000 0.980 181 R HN 0.523 nan 8.270 nan 0.000 0.497 182 L N 1.809 122.898 121.223 -0.225 0.000 2.331 182 L HA 0.165 4.505 4.340 -0.000 0.000 0.275 182 L C 1.374 178.102 176.870 -0.237 0.000 1.022 182 L CA -0.757 53.959 54.840 -0.207 0.000 0.812 182 L CB 1.474 43.448 42.059 -0.142 0.000 1.257 182 L HN -0.008 nan 8.230 nan 0.000 0.435 183 D N 1.942 122.156 120.400 -0.310 0.000 2.133 183 D HA -0.272 4.368 4.640 -0.000 0.000 0.195 183 D C 1.540 177.731 176.300 -0.181 0.000 0.997 183 D CA 1.756 55.537 54.000 -0.364 0.000 0.840 183 D CB -0.122 40.384 40.800 -0.490 0.000 0.947 183 D HN 0.681 nan 8.370 nan 0.000 0.452 184 R N 0.344 120.775 120.500 -0.115 0.000 2.307 184 R HA 0.137 4.477 4.340 -0.000 0.000 0.199 184 R C 1.391 177.658 176.300 -0.055 0.000 1.000 184 R CA 0.628 56.693 56.100 -0.059 0.000 1.023 184 R CB -0.364 29.913 30.300 -0.039 0.000 0.908 184 R HN 0.201 nan 8.270 nan 0.000 0.473 185 E N 1.233 121.387 120.200 -0.078 0.000 2.474 185 E HA 0.156 4.506 4.350 -0.000 0.000 0.195 185 E C 0.530 177.100 176.600 -0.050 0.000 1.039 185 E CA -0.043 56.319 56.400 -0.062 0.000 0.881 185 E CB 0.355 30.009 29.700 -0.077 0.000 0.970 185 E HN 0.502 nan 8.360 nan 0.000 0.486 186 I N -2.448 118.089 120.570 -0.056 0.000 2.910 186 I HA 0.550 4.720 4.170 -0.000 0.000 0.310 186 I C -2.715 173.402 176.117 0.000 0.000 1.043 186 I CA -3.185 58.097 61.300 -0.030 0.000 1.053 186 I CB 1.308 39.280 38.000 -0.047 0.000 1.242 186 I HN -0.343 nan 8.210 nan 0.000 0.452 187 P HA 0.055 nan 4.420 nan 0.000 0.267 187 P C 0.419 177.773 177.300 0.089 0.000 1.205 187 P CA -0.013 63.130 63.100 0.071 0.000 0.765 187 P CB 0.626 32.386 31.700 0.100 0.000 0.828 188 E N 2.636 122.895 120.200 0.098 0.000 2.097 188 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 188 E C 1.309 177.995 176.600 0.143 0.000 1.000 188 E CA 1.601 58.067 56.400 0.111 0.000 0.804 188 E CB -0.261 29.506 29.700 0.112 0.000 0.740 188 E HN 0.563 nan 8.360 nan 0.000 0.454 189 Y N 1.169 121.520 120.300 0.084 0.000 2.097 189 Y HA -0.229 4.321 4.550 -0.000 0.000 0.282 189 Y C 2.286 178.253 175.900 0.112 0.000 1.152 189 Y CA 2.173 60.332 58.100 0.099 0.000 1.136 189 Y CB -0.316 38.192 38.460 0.080 0.000 0.975 189 Y HN -0.004 nan 8.280 nan 0.000 0.498 190 I N -0.571 120.112 120.570 0.188 0.000 2.179 190 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 190 I C 2.378 178.521 176.117 0.043 0.000 1.088 190 I CA 1.413 62.783 61.300 0.117 0.000 1.357 190 I CB -0.622 37.462 38.000 0.140 0.000 1.051 190 I HN 0.344 nan 8.210 nan 0.000 0.409 191 L N 0.537 121.786 121.223 0.043 0.000 1.989 191 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 191 L C 2.396 179.355 176.870 0.148 0.000 1.071 191 L CA 2.095 56.956 54.840 0.036 0.000 0.749 191 L CB -0.473 41.566 42.059 -0.033 0.000 0.890 191 L HN 0.132 nan 8.230 nan 0.000 0.431 192 M N -1.010 118.682 119.600 0.153 0.000 2.254 192 M HA -0.109 4.371 4.480 -0.000 0.000 0.265 192 M C 1.983 178.389 176.300 0.177 0.000 1.066 192 M CA 1.288 56.742 55.300 0.256 0.000 1.123 192 M CB -1.389 31.344 32.600 0.222 0.000 1.388 192 M HN 0.349 nan 8.290 nan 0.000 0.425 193 D N 0.516 120.881 120.400 -0.057 0.000 2.144 193 D HA -0.020 4.620 4.640 -0.000 0.000 0.200 193 D C 1.920 178.264 176.300 0.073 0.000 0.978 193 D CA 1.475 55.421 54.000 -0.089 0.000 0.833 193 D CB 0.235 40.836 40.800 -0.333 0.000 0.961 193 D HN 0.265 nan 8.370 nan 0.000 0.470 194 A N 0.288 123.183 122.820 0.125 0.000 1.930 194 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 194 A C 2.291 180.061 177.584 0.311 0.000 1.175 194 A CA 1.847 54.015 52.037 0.220 0.000 0.627 194 A CB -0.791 18.327 19.000 0.196 0.000 0.815 194 A HN 0.270 nan 8.150 nan 0.000 0.443 195 A N -0.037 122.995 122.820 0.354 0.000 1.898 195 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 195 A C 2.231 180.011 177.584 0.326 0.000 1.181 195 A CA 1.692 54.036 52.037 0.513 0.000 0.620 195 A CB -0.516 18.954 19.000 0.784 0.000 0.819 195 A HN 0.569 nan 8.150 nan 0.000 0.442 196 R N -0.015 120.550 120.500 0.107 0.000 2.080 196 R HA -0.208 4.132 4.340 -0.000 0.000 0.236 196 R C 2.278 178.454 176.300 -0.206 0.000 1.137 196 R CA 2.136 57.985 56.100 -0.418 0.000 0.943 196 R CB -0.329 29.911 30.300 -0.101 0.000 0.846 196 R HN 0.517 nan 8.270 nan 0.000 0.431 197 K N -0.556 119.878 120.400 0.056 0.000 2.063 197 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 197 K C 1.980 178.771 176.600 0.317 0.000 1.048 197 K CA 1.818 58.187 56.287 0.138 0.000 0.928 197 K CB -0.297 32.292 32.500 0.149 0.000 0.713 197 K HN 0.183 nan 8.250 nan 0.000 0.442 198 F N 0.294 120.411 119.950 0.278 0.000 2.102 198 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 198 F C 2.143 178.027 175.800 0.140 0.000 1.105 198 F CA 1.665 59.838 58.000 0.288 0.000 1.239 198 F CB -0.382 38.765 39.000 0.244 0.000 0.991 198 F HN 0.115 nan 8.300 nan 0.000 0.474 199 Y N 0.248 120.617 120.300 0.115 0.000 2.097 199 Y HA -0.245 4.305 4.550 -0.000 0.000 0.282 199 Y C 2.432 178.203 175.900 -0.215 0.000 1.152 199 Y CA 1.820 59.811 58.100 -0.181 0.000 1.136 199 Y CB -0.787 37.305 38.460 -0.614 0.000 0.975 199 Y HN 0.078 nan 8.280 nan 0.000 0.498 200 A N 0.187 123.010 122.820 0.004 0.000 1.933 200 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 200 A C 2.014 179.564 177.584 -0.057 0.000 1.175 200 A CA 2.031 54.083 52.037 0.025 0.000 0.628 200 A CB -0.661 18.401 19.000 0.103 0.000 0.814 200 A HN 0.626 nan 8.150 nan 0.000 0.444 201 N N -0.911 117.804 118.700 0.025 0.000 2.368 201 N HA 0.118 4.858 4.740 -0.000 0.000 0.176 201 N C 1.427 176.888 175.510 -0.081 0.000 1.021 201 N CA 1.012 54.105 53.050 0.071 0.000 0.888 201 N CB 0.137 38.863 38.487 0.399 0.000 0.995 201 N HN 0.464 nan 8.380 nan 0.000 0.437 202 L N -0.122 120.988 121.223 -0.187 0.000 2.609 202 L HA 0.256 4.596 4.340 -0.000 0.000 0.230 202 L C 1.508 178.254 176.870 -0.206 0.000 1.064 202 L CA 0.223 54.945 54.840 -0.196 0.000 0.873 202 L CB 0.367 42.193 42.059 -0.388 0.000 1.139 202 L HN -0.019 nan 8.230 nan 0.000 0.490 203 I N -1.280 119.008 120.570 -0.470 0.000 3.939 203 I HA 0.018 4.188 4.170 -0.000 0.000 0.313 203 I C 2.221 177.858 176.117 -0.801 0.000 1.274 203 I CA 0.540 61.386 61.300 -0.756 0.000 1.301 203 I CB -0.924 36.355 38.000 -1.200 0.000 1.105 203 I HN 0.081 nan 8.210 nan 0.000 0.427 204 T N 3.888 118.024 114.554 -0.696 0.000 2.594 204 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 204 T C -0.395 174.081 174.700 -0.373 0.000 1.070 204 T CA 2.192 64.018 62.100 -0.456 0.000 1.166 204 T CB -1.763 66.698 68.868 -0.678 0.000 0.862 204 T HN 0.290 nan 8.240 nan 0.000 0.436 205 P HA 0.086 nan 4.420 nan 0.000 0.234 205 P C 0.895 178.055 177.300 -0.234 0.000 1.167 205 P CA 0.861 63.806 63.100 -0.258 0.000 0.763 205 P CB -0.308 31.271 31.700 -0.201 0.000 0.835 206 L N -1.484 119.552 121.223 -0.312 0.000 2.667 206 L HA 0.194 4.534 4.340 -0.000 0.000 0.232 206 L C 2.172 178.867 176.870 -0.291 0.000 1.138 206 L CA 0.002 54.633 54.840 -0.348 0.000 0.921 206 L CB -0.527 41.213 42.059 -0.530 0.000 1.180 206 L HN -0.150 nan 8.230 nan 0.000 0.487 207 S N 0.792 116.364 115.700 -0.214 0.000 2.365 207 S HA -0.223 4.247 4.470 -0.000 0.000 0.225 207 S C 1.989 176.514 174.600 -0.125 0.000 1.039 207 S CA 1.645 59.785 58.200 -0.098 0.000 1.033 207 S CB -0.081 63.121 63.200 0.004 0.000 0.887 207 S HN 0.420 nan 8.310 nan 0.000 0.447 208 K N 0.653 120.976 120.400 -0.128 0.000 2.097 208 K HA -0.001 4.319 4.320 -0.000 0.000 0.206 208 K C 1.937 178.451 176.600 -0.143 0.000 1.049 208 K CA 1.036 57.252 56.287 -0.118 0.000 0.933 208 K CB -0.327 32.114 32.500 -0.098 0.000 0.717 208 K HN 0.324 nan 8.250 nan 0.000 0.442 209 L N 0.263 121.378 121.223 -0.179 0.000 2.217 209 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 209 L C 2.210 178.955 176.870 -0.208 0.000 1.107 209 L CA 0.404 55.131 54.840 -0.189 0.000 0.783 209 L CB -0.378 41.543 42.059 -0.230 0.000 0.919 209 L HN -0.050 nan 8.230 nan 0.000 0.442 210 V N 0.336 120.095 119.914 -0.258 0.000 2.295 210 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 210 V C 2.432 178.202 176.094 -0.540 0.000 1.049 210 V CA 1.727 63.815 62.300 -0.353 0.000 1.024 210 V CB -0.318 31.325 31.823 -0.300 0.000 0.648 210 V HN 0.337 nan 8.190 nan 0.000 0.447 211 L N -0.670 120.321 121.223 -0.386 0.000 2.046 211 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 211 L C 2.582 179.397 176.870 -0.091 0.000 1.077 211 L CA 1.578 56.257 54.840 -0.269 0.000 0.747 211 L CB -0.549 41.429 42.059 -0.135 0.000 0.896 211 L HN 0.255 nan 8.230 nan 0.000 0.432 212 K N 0.002 120.354 120.400 -0.080 0.000 2.097 212 K HA -0.180 4.140 4.320 -0.000 0.000 0.205 212 K C 2.055 178.676 176.600 0.035 0.000 1.050 212 K CA 0.987 57.262 56.287 -0.020 0.000 0.938 212 K CB -0.156 32.316 32.500 -0.046 0.000 0.718 212 K HN -0.081 nan 8.250 nan 0.000 0.442 213 K N 0.128 120.546 120.400 0.030 0.000 2.057 213 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 213 K C 1.670 178.466 176.600 0.326 0.000 1.049 213 K CA 1.292 57.654 56.287 0.126 0.000 0.931 213 K CB -0.408 32.150 32.500 0.096 0.000 0.714 213 K HN -0.022 nan 8.250 nan 0.000 0.440 214 F N 1.853 121.860 119.950 0.094 0.000 2.120 214 F HA -0.216 4.311 4.527 -0.000 0.000 0.300 214 F C 1.925 177.759 175.800 0.057 0.000 1.095 214 F CA 1.500 59.559 58.000 0.099 0.000 1.249 214 F CB -1.017 38.043 39.000 0.100 0.000 0.995 214 F HN 0.166 nan 8.300 nan 0.000 0.480 215 D N -0.215 120.330 120.400 0.241 0.000 2.117 215 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 215 D C 2.241 178.597 176.300 0.093 0.000 0.987 215 D CA 1.199 55.275 54.000 0.127 0.000 0.829 215 D CB -0.456 40.393 40.800 0.081 0.000 0.961 215 D HN 0.396 nan 8.370 nan 0.000 0.460 216 E N 0.495 120.752 120.200 0.096 0.000 2.038 216 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 216 E C 2.164 178.810 176.600 0.077 0.000 1.000 216 E CA 0.928 57.370 56.400 0.071 0.000 0.803 216 E CB 0.140 29.875 29.700 0.059 0.000 0.750 216 E HN -0.016 nan 8.360 nan 0.000 0.448 217 V N 1.459 121.438 119.914 0.110 0.000 2.282 217 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 217 V C 2.535 178.653 176.094 0.040 0.000 1.057 217 V CA 2.394 64.747 62.300 0.087 0.000 1.032 217 V CB -0.618 31.266 31.823 0.103 0.000 0.645 217 V HN 0.302 nan 8.190 nan 0.000 0.447 218 K N 0.212 120.635 120.400 0.038 0.000 2.057 218 K HA -0.268 4.052 4.320 -0.000 0.000 0.207 218 K C 2.146 178.755 176.600 0.015 0.000 1.049 218 K CA 1.998 58.294 56.287 0.014 0.000 0.931 218 K CB -0.153 32.359 32.500 0.020 0.000 0.714 218 K HN 0.483 nan 8.250 nan 0.000 0.440 219 E N 0.595 120.811 120.200 0.027 0.000 2.204 219 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 219 E C 1.475 178.085 176.600 0.017 0.000 0.989 219 E CA 0.971 57.384 56.400 0.021 0.000 0.824 219 E CB -0.036 29.679 29.700 0.025 0.000 0.756 219 E HN 0.403 nan 8.360 nan 0.000 0.477 220 L N -0.647 120.589 121.223 0.022 0.000 2.591 220 L HA 0.260 4.600 4.340 -0.000 0.000 0.228 220 L C 1.281 178.156 176.870 0.008 0.000 1.133 220 L CA 0.304 55.156 54.840 0.018 0.000 0.880 220 L CB -0.069 42.007 42.059 0.029 0.000 1.033 220 L HN 0.371 nan 8.230 nan 0.000 0.450 221 G N 0.496 109.297 108.800 0.001 0.000 2.221 221 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.265 221 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.265 221 G C 0.561 175.450 174.900 -0.019 0.000 1.041 221 G CA 0.467 45.560 45.100 -0.011 0.000 0.807 221 G HN 0.392 nan 8.290 nan 0.000 0.502 222 L N -1.120 120.092 121.223 -0.017 0.000 2.556 222 L HA 0.379 4.719 4.340 -0.000 0.000 0.226 222 L C 2.629 179.465 176.870 -0.057 0.000 1.089 222 L CA -0.082 54.740 54.840 -0.029 0.000 0.864 222 L CB -0.157 41.899 42.059 -0.005 0.000 1.067 222 L HN 0.292 nan 8.230 nan 0.000 0.477 223 L N 1.081 122.267 121.223 -0.063 0.000 2.093 223 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 223 L C 2.672 179.473 176.870 -0.114 0.000 1.085 223 L CA 1.558 56.335 54.840 -0.105 0.000 0.755 223 L CB -0.091 41.905 42.059 -0.105 0.000 0.904 223 L HN 0.482 nan 8.230 nan 0.000 0.435 224 E N 0.038 120.186 120.200 -0.086 0.000 2.268 224 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 224 E C 1.004 177.551 176.600 -0.088 0.000 0.995 224 E CA 0.665 57.015 56.400 -0.083 0.000 0.836 224 E CB -0.057 29.606 29.700 -0.062 0.000 0.763 224 E HN 0.400 nan 8.360 nan 0.000 0.491 225 R N 0.722 121.168 120.500 -0.090 0.000 2.702 225 R HA 0.386 4.726 4.340 -0.000 0.000 0.314 225 R C -0.280 175.948 176.300 -0.121 0.000 1.152 225 R CA -0.136 55.908 56.100 -0.093 0.000 1.097 225 R CB 0.042 30.296 30.300 -0.077 0.000 1.343 225 R HN 0.125 nan 8.270 nan 0.000 0.575 226 I N 1.264 121.747 120.570 -0.145 0.000 2.304 226 I HA 0.059 4.229 4.170 -0.000 0.000 0.291 226 I C 0.597 176.605 176.117 -0.181 0.000 1.018 226 I CA 0.130 61.317 61.300 -0.188 0.000 1.260 226 I CB 1.084 38.944 38.000 -0.234 0.000 1.390 226 I HN 0.291 nan 8.210 nan 0.000 0.475 227 Q N 6.352 126.045 119.800 -0.179 0.000 2.245 227 Q HA 0.366 4.706 4.340 -0.000 0.000 0.236 227 Q C -0.172 175.732 176.000 -0.160 0.000 0.842 227 Q CA 0.131 55.843 55.803 -0.152 0.000 0.945 227 Q CB 1.389 30.052 28.738 -0.125 0.000 1.122 227 Q HN 0.637 nan 8.270 nan 0.000 0.506 228 M N 0.923 120.399 119.600 -0.208 0.000 2.333 228 M HA 0.383 4.863 4.480 -0.000 0.000 0.286 228 M C -2.157 173.971 176.300 -0.286 0.000 1.113 228 M CA -0.272 54.904 55.300 -0.206 0.000 0.959 228 M CB 2.059 34.530 32.600 -0.215 0.000 1.776 228 M HN -0.048 nan 8.290 nan 0.000 0.492 229 I N 3.766 124.204 120.570 -0.220 0.000 2.362 229 I HA 0.637 4.807 4.170 -0.000 0.000 0.289 229 I C -0.198 175.854 176.117 -0.108 0.000 0.994 229 I CA -0.561 60.590 61.300 -0.248 0.000 1.158 229 I CB 1.961 39.736 38.000 -0.375 0.000 1.315 229 I HN 0.784 nan 8.210 nan 0.000 0.451 230 A N 9.177 131.845 122.820 -0.253 0.000 2.399 230 A HA 0.699 5.019 4.320 -0.000 0.000 0.327 230 A C -2.597 175.015 177.584 0.047 0.000 1.367 230 A CA -1.421 50.502 52.037 -0.191 0.000 0.842 230 A CB 0.005 18.588 19.000 -0.695 0.000 1.142 230 A HN 0.345 nan 8.150 nan 0.000 0.495 231 P HA 0.371 nan 4.420 nan 0.000 0.301 231 P C 0.614 178.094 177.300 0.300 0.000 1.309 231 P CA -0.386 62.864 63.100 0.250 0.000 0.782 231 P CB 1.217 33.073 31.700 0.260 0.000 1.282 232 S N -2.433 113.361 115.700 0.157 0.000 2.524 232 S HA 0.086 4.556 4.470 -0.000 0.000 0.216 232 S C 0.315 174.825 174.600 -0.151 0.000 0.987 232 S CA 0.308 58.504 58.200 -0.007 0.000 0.909 232 S CB -0.483 62.489 63.200 -0.381 0.000 0.781 232 S HN 0.443 nan 8.310 nan 0.000 0.521 233 H N -0.503 118.689 119.070 0.203 0.000 2.806 233 H HA 0.498 5.054 4.556 -0.000 0.000 0.367 233 H C 0.714 176.049 175.328 0.011 0.000 1.136 233 H CA -0.001 56.128 56.048 0.135 0.000 1.178 233 H CB 1.363 31.180 29.762 0.092 0.000 1.718 233 H HN 0.312 nan 8.280 nan 0.000 0.540 234 G N 2.102 110.968 108.800 0.109 0.000 2.539 234 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.256 234 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.256 234 G C -0.516 174.316 174.900 -0.113 0.000 1.233 234 G CA -0.549 44.536 45.100 -0.025 0.000 0.936 234 G HN 0.534 nan 8.290 nan 0.000 0.571 235 Q N -0.050 119.608 119.800 -0.238 0.000 2.340 235 Q HA 0.548 4.888 4.340 -0.000 0.000 0.249 235 Q C 0.717 176.458 176.000 -0.430 0.000 0.957 235 Q CA -0.119 55.459 55.803 -0.374 0.000 0.882 235 Q CB 0.850 29.279 28.738 -0.514 0.000 1.235 235 Q HN 0.553 nan 8.270 nan 0.000 0.439 236 I N 1.536 121.921 120.570 -0.308 0.000 2.441 236 I HA 0.085 4.255 4.170 -0.000 0.000 0.287 236 I C -0.324 175.620 176.117 -0.289 0.000 1.049 236 I CA -0.350 60.834 61.300 -0.193 0.000 1.381 236 I CB 0.497 38.465 38.000 -0.052 0.000 1.409 236 I HN 0.391 nan 8.210 nan 0.000 0.523 237 W N 5.319 126.549 121.300 -0.117 0.000 2.416 237 W HA 0.232 4.892 4.660 -0.000 0.000 0.318 237 W C 1.434 177.857 176.519 -0.160 0.000 1.150 237 W CA -0.558 56.702 57.345 -0.142 0.000 1.392 237 W CB 0.596 29.938 29.460 -0.197 0.000 1.311 237 W HN 0.548 nan 8.180 nan 0.000 0.436 238 T N -2.612 111.971 114.554 0.047 0.000 3.100 238 T HA -0.070 4.280 4.350 -0.000 0.000 0.253 238 T C 0.306 175.009 174.700 0.006 0.000 1.118 238 T CA 0.351 62.446 62.100 -0.008 0.000 1.058 238 T CB 0.077 68.923 68.868 -0.036 0.000 0.953 238 T HN 0.241 nan 8.240 nan 0.000 0.515 239 D N 2.311 122.757 120.400 0.076 0.000 2.551 239 D HA 0.288 4.928 4.640 -0.000 0.000 0.294 239 D C -1.666 174.626 176.300 -0.013 0.000 1.201 239 D CA -2.558 51.463 54.000 0.034 0.000 0.941 239 D CB 1.452 42.294 40.800 0.069 0.000 0.995 239 D HN 0.048 nan 8.370 nan 0.000 0.502 240 P HA -0.164 nan 4.420 nan 0.000 0.216 240 P C 1.670 178.709 177.300 -0.435 0.000 1.150 240 P CA 0.753 63.651 63.100 -0.336 0.000 0.837 240 P CB 0.257 31.748 31.700 -0.348 0.000 0.786 241 M N -0.338 119.086 119.600 -0.293 0.000 2.296 241 M HA -0.099 4.381 4.480 -0.000 0.000 0.265 241 M C 2.172 178.316 176.300 -0.260 0.000 1.064 241 M CA 1.306 56.442 55.300 -0.273 0.000 1.109 241 M CB -1.380 31.108 32.600 -0.187 0.000 1.396 241 M HN -0.008 nan 8.290 nan 0.000 0.430 242 K N 0.392 120.661 120.400 -0.218 0.000 2.020 242 K HA -0.210 4.110 4.320 -0.000 0.000 0.212 242 K C 1.896 178.292 176.600 -0.340 0.000 1.050 242 K CA 1.540 57.716 56.287 -0.186 0.000 0.929 242 K CB -0.214 32.268 32.500 -0.029 0.000 0.714 242 K HN 0.126 nan 8.250 nan 0.000 0.443 243 I N 1.158 121.339 120.570 -0.648 0.000 2.353 243 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 243 I C 1.797 177.654 176.117 -0.433 0.000 1.119 243 I CA 0.977 61.787 61.300 -0.817 0.000 1.417 243 I CB -0.092 36.783 38.000 -1.875 0.000 1.078 243 I HN 0.265 nan 8.210 nan 0.000 0.421 244 I N 0.215 120.474 120.570 -0.518 0.000 2.163 244 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 244 I C 2.292 178.377 176.117 -0.054 0.000 1.085 244 I CA 1.662 62.787 61.300 -0.292 0.000 1.347 244 I CB -0.355 37.355 38.000 -0.484 0.000 1.044 244 I HN 0.259 nan 8.210 nan 0.000 0.408 245 E N 0.450 120.554 120.200 -0.160 0.000 2.152 245 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 245 E C 2.266 178.732 176.600 -0.224 0.000 0.983 245 E CA 1.061 57.381 56.400 -0.134 0.000 0.818 245 E CB -0.090 29.522 29.700 -0.146 0.000 0.758 245 E HN 0.500 nan 8.360 nan 0.000 0.467 246 A N 0.305 122.916 122.820 -0.349 0.000 1.877 246 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 246 A C 1.809 178.864 177.584 -0.880 0.000 1.186 246 A CA 1.291 52.847 52.037 -0.801 0.000 0.620 246 A CB -0.835 17.621 19.000 -0.906 0.000 0.822 246 A HN 0.272 nan 8.150 nan 0.000 0.443 247 Y N 1.014 121.095 120.300 -0.365 0.000 2.128 247 Y HA -0.203 4.347 4.550 -0.000 0.000 0.284 247 Y C 3.039 178.930 175.900 -0.015 0.000 1.154 247 Y CA 1.846 59.979 58.100 0.055 0.000 1.149 247 Y CB -1.136 37.649 38.460 0.541 0.000 0.976 247 Y HN 0.328 nan 8.280 nan 0.000 0.505 248 T N -0.799 113.886 114.554 0.219 0.000 2.684 248 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 248 T C 2.223 176.894 174.700 -0.048 0.000 1.036 248 T CA 1.567 63.736 62.100 0.115 0.000 1.148 248 T CB -1.068 67.892 68.868 0.153 0.000 0.863 248 T HN 0.568 nan 8.240 nan 0.000 0.436 249 G N 0.522 109.215 108.800 -0.179 0.000 2.446 249 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 249 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 249 G C 1.347 176.151 174.900 -0.160 0.000 1.168 249 G CA 0.665 45.636 45.100 -0.215 0.000 0.771 249 G HN 0.437 nan 8.290 nan 0.000 0.551 250 W N 1.020 122.149 121.300 -0.286 0.000 2.358 250 W HA 0.098 4.758 4.660 -0.000 0.000 0.303 250 W C 2.903 179.208 176.519 -0.357 0.000 1.208 250 W CA 0.904 57.947 57.345 -0.503 0.000 1.274 250 W CB -1.111 27.610 29.460 -1.232 0.000 1.138 250 W HN 0.333 nan 8.180 nan 0.000 0.515 251 A N -0.115 122.664 122.820 -0.070 0.000 2.119 251 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 251 A C 1.732 179.330 177.584 0.023 0.000 1.153 251 A CA 1.989 54.055 52.037 0.049 0.000 0.692 251 A CB -0.884 18.136 19.000 0.033 0.000 0.799 251 A HN 0.241 nan 8.150 nan 0.000 0.458 252 T N -5.147 109.413 114.554 0.009 0.000 3.085 252 T HA 0.439 4.789 4.350 -0.000 0.000 0.264 252 T C 1.081 175.794 174.700 0.022 0.000 1.019 252 T CA 0.853 62.958 62.100 0.009 0.000 0.910 252 T CB 0.114 68.981 68.868 -0.000 0.000 1.059 252 T HN 1.598 nan 8.240 nan 0.000 0.542 253 G N 2.502 111.330 108.800 0.048 0.000 2.198 253 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.257 253 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.257 253 G C -0.012 174.920 174.900 0.054 0.000 1.042 253 G CA -0.132 45.007 45.100 0.064 0.000 0.791 253 G HN 0.456 nan 8.290 nan 0.000 0.502 254 M N 0.423 120.051 119.600 0.047 0.000 2.146 254 M HA 0.531 5.011 4.480 -0.000 0.000 0.352 254 M C 0.585 176.925 176.300 0.066 0.000 1.343 254 M CA -0.533 54.787 55.300 0.032 0.000 1.115 254 M CB 0.628 33.222 32.600 -0.008 0.000 1.657 254 M HN 0.784 nan 8.290 nan 0.000 0.471 255 V N 0.536 120.485 119.914 0.059 0.000 2.971 255 V HA 0.618 4.738 4.120 -0.000 0.000 0.309 255 V C -0.423 175.705 176.094 0.056 0.000 1.130 255 V CA -1.165 61.180 62.300 0.075 0.000 0.964 255 V CB 2.304 34.172 31.823 0.075 0.000 1.029 255 V HN 0.646 nan 8.190 nan 0.000 0.427 256 D N 1.523 121.962 120.400 0.064 0.000 2.371 256 D HA 0.255 4.895 4.640 -0.000 0.000 0.242 256 D C 0.084 176.412 176.300 0.046 0.000 1.218 256 D CA -0.055 53.976 54.000 0.051 0.000 0.945 256 D CB 0.911 41.745 40.800 0.058 0.000 1.137 256 D HN 0.790 nan 8.370 nan 0.000 0.464 257 E N 0.834 121.055 120.200 0.035 0.000 2.217 257 E HA 0.288 4.638 4.350 -0.000 0.000 0.279 257 E C 0.175 176.792 176.600 0.028 0.000 1.068 257 E CA 0.139 56.555 56.400 0.027 0.000 0.882 257 E CB 0.973 30.684 29.700 0.018 0.000 1.039 257 E HN 0.165 nan 8.360 nan 0.000 0.418 258 R N 2.243 122.760 120.500 0.029 0.000 2.633 258 R HA 0.316 4.656 4.340 -0.000 0.000 0.255 258 R C -2.078 174.240 176.300 0.030 0.000 1.106 258 R CA -0.482 55.638 56.100 0.032 0.000 0.959 258 R CB 1.428 31.758 30.300 0.051 0.000 1.259 258 R HN 0.327 nan 8.270 nan 0.000 0.453 259 V N 2.813 122.741 119.914 0.023 0.000 2.540 259 V HA 0.480 4.600 4.120 -0.000 0.000 0.302 259 V C -0.418 175.701 176.094 0.042 0.000 1.035 259 V CA -0.570 61.745 62.300 0.025 0.000 0.873 259 V CB 2.230 34.054 31.823 0.001 0.000 0.992 259 V HN 0.805 nan 8.190 nan 0.000 0.428 260 T N 4.391 118.984 114.554 0.065 0.000 2.758 260 T HA 0.497 4.847 4.350 -0.000 0.000 0.285 260 T C -0.300 174.474 174.700 0.124 0.000 0.981 260 T CA -0.275 61.892 62.100 0.112 0.000 0.965 260 T CB 1.318 70.271 68.868 0.142 0.000 0.927 260 T HN 0.335 nan 8.240 nan 0.000 0.448 261 V N 5.764 125.766 119.914 0.146 0.000 2.394 261 V HA 0.522 4.642 4.120 -0.000 0.000 0.282 261 V C -0.148 176.124 176.094 0.298 0.000 1.031 261 V CA -0.629 61.792 62.300 0.202 0.000 0.881 261 V CB 0.939 32.848 31.823 0.144 0.000 0.982 261 V HN 0.764 nan 8.190 nan 0.000 0.451 262 I N 6.587 127.345 120.570 0.314 0.000 2.498 262 I HA 0.637 4.807 4.170 -0.000 0.000 0.290 262 I C -0.897 175.376 176.117 0.260 0.000 1.032 262 I CA -0.656 60.795 61.300 0.250 0.000 1.073 262 I CB 1.848 39.912 38.000 0.108 0.000 1.251 262 I HN 0.752 nan 8.210 nan 0.000 0.426 263 Y N 2.964 123.316 120.300 0.086 0.000 2.609 263 Y HA 0.721 5.270 4.550 -0.000 0.000 0.336 263 Y C -1.910 173.975 175.900 -0.026 0.000 1.129 263 Y CA -1.048 57.048 58.100 -0.007 0.000 1.040 263 Y CB 1.558 40.091 38.460 0.121 0.000 1.310 263 Y HN 0.408 nan 8.280 nan 0.000 0.460 264 D N 0.201 120.562 120.400 -0.065 0.000 2.450 264 D HA 0.675 5.315 4.640 -0.000 0.000 0.238 264 D C -1.418 174.874 176.300 -0.013 0.000 1.020 264 D CA -0.034 53.859 54.000 -0.179 0.000 1.010 264 D CB 2.782 43.414 40.800 -0.280 0.000 1.342 264 D HN 0.798 nan 8.370 nan 0.000 0.530 265 T N 0.279 114.727 114.554 -0.178 0.000 2.840 265 T HA 0.374 4.724 4.350 -0.000 0.000 0.317 265 T C 0.229 174.760 174.700 -0.283 0.000 1.401 265 T CA -0.295 61.731 62.100 -0.123 0.000 1.028 265 T CB 1.262 70.171 68.868 0.068 0.000 1.317 265 T HN 0.346 nan 8.240 nan 0.000 0.495 266 M N 0.541 120.008 119.600 -0.221 0.000 2.925 266 M HA 0.283 4.763 4.480 -0.000 0.000 0.249 266 M C 1.222 177.461 176.300 -0.101 0.000 1.439 266 M CA 0.523 55.682 55.300 -0.234 0.000 1.217 266 M CB 0.320 32.714 32.600 -0.344 0.000 1.245 266 M HN 0.694 nan 8.290 nan 0.000 0.552 267 H N -0.529 118.521 119.070 -0.034 0.000 2.652 267 H HA 0.328 4.884 4.556 -0.000 0.000 0.274 267 H C 1.104 176.405 175.328 -0.045 0.000 1.021 267 H CA 0.258 56.285 56.048 -0.035 0.000 1.187 267 H CB 0.726 30.474 29.762 -0.023 0.000 1.505 267 H HN 0.623 nan 8.280 nan 0.000 0.530 268 G N 0.249 109.078 108.800 0.048 0.000 2.195 268 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.246 268 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.246 268 G C 1.333 176.213 174.900 -0.035 0.000 0.984 268 G CA 0.582 45.675 45.100 -0.011 0.000 0.633 268 G HN 0.380 nan 8.290 nan 0.000 0.525 269 S N 0.154 115.861 115.700 0.012 0.000 2.368 269 S HA -0.081 4.389 4.470 -0.000 0.000 0.225 269 S C 2.364 176.968 174.600 0.007 0.000 1.030 269 S CA 2.194 60.400 58.200 0.011 0.000 0.999 269 S CB -0.406 62.826 63.200 0.054 0.000 0.844 269 S HN 0.640 nan 8.310 nan 0.000 0.459 270 T N 1.637 116.208 114.554 0.029 0.000 2.867 270 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 270 T C 1.823 176.511 174.700 -0.020 0.000 1.057 270 T CA 1.001 63.154 62.100 0.089 0.000 1.136 270 T CB -0.152 68.767 68.868 0.084 0.000 0.874 270 T HN 0.345 nan 8.240 nan 0.000 0.466 271 R N 1.243 121.624 120.500 -0.198 0.000 2.081 271 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 271 R C 2.199 178.206 176.300 -0.489 0.000 1.131 271 R CA 1.355 57.115 56.100 -0.568 0.000 0.960 271 R CB -0.043 30.042 30.300 -0.358 0.000 0.856 271 R HN 0.295 nan 8.270 nan 0.000 0.436 272 K N -0.080 120.138 120.400 -0.303 0.000 2.097 272 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 272 K C 2.158 178.675 176.600 -0.137 0.000 1.049 272 K CA 1.827 57.974 56.287 -0.233 0.000 0.933 272 K CB -0.070 32.351 32.500 -0.131 0.000 0.717 272 K HN 0.254 nan 8.250 nan 0.000 0.442 273 M N 0.239 119.777 119.600 -0.104 0.000 2.099 273 M HA -0.127 4.353 4.480 -0.000 0.000 0.262 273 M C 2.469 178.573 176.300 -0.326 0.000 1.067 273 M CA 1.609 56.826 55.300 -0.139 0.000 1.124 273 M CB -0.373 32.231 32.600 0.008 0.000 1.353 273 M HN 0.177 nan 8.290 nan 0.000 0.410 274 A N -0.362 122.295 122.820 -0.271 0.000 1.933 274 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 274 A C 1.823 179.346 177.584 -0.103 0.000 1.175 274 A CA 1.527 53.401 52.037 -0.272 0.000 0.628 274 A CB -1.285 17.651 19.000 -0.107 0.000 0.814 274 A HN 0.558 nan 8.150 nan 0.000 0.444 275 H N -0.960 117.977 119.070 -0.222 0.000 2.389 275 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 275 H C 2.548 177.818 175.328 -0.097 0.000 1.081 275 H CA 0.857 56.827 56.048 -0.131 0.000 1.345 275 H CB 0.048 29.749 29.762 -0.101 0.000 1.393 275 H HN 0.582 nan 8.280 nan 0.000 0.520 276 A N 1.158 123.995 122.820 0.029 0.000 1.898 276 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 276 A C 2.447 179.998 177.584 -0.055 0.000 1.181 276 A CA 0.878 52.943 52.037 0.047 0.000 0.620 276 A CB -0.615 18.410 19.000 0.042 0.000 0.819 276 A HN 0.244 nan 8.150 nan 0.000 0.442 277 I N -0.098 120.359 120.570 -0.188 0.000 2.163 277 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 277 I C 2.993 178.971 176.117 -0.231 0.000 1.085 277 I CA 1.166 62.307 61.300 -0.265 0.000 1.347 277 I CB -0.336 37.409 38.000 -0.425 0.000 1.044 277 I HN 0.363 nan 8.210 nan 0.000 0.408 278 A N 0.248 122.964 122.820 -0.173 0.000 1.908 278 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 278 A C 2.200 179.688 177.584 -0.159 0.000 1.181 278 A CA 2.132 54.082 52.037 -0.145 0.000 0.627 278 A CB -0.611 18.312 19.000 -0.129 0.000 0.818 278 A HN 0.419 nan 8.150 nan 0.000 0.445 279 E N -0.157 119.968 120.200 -0.124 0.000 2.058 279 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 279 E C 2.004 178.373 176.600 -0.386 0.000 0.997 279 E CA 1.668 58.024 56.400 -0.073 0.000 0.801 279 E CB -0.740 29.061 29.700 0.168 0.000 0.746 279 E HN 0.437 nan 8.360 nan 0.000 0.450 280 G N -0.045 108.225 108.800 -0.883 0.000 2.408 280 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 280 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 280 G C 1.681 176.192 174.900 -0.649 0.000 1.150 280 G CA 0.926 45.118 45.100 -1.515 0.000 0.776 280 G HN 0.436 nan 8.290 nan 0.000 0.542 281 A N 0.503 123.095 122.820 -0.381 0.000 1.933 281 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 281 A C 2.426 179.914 177.584 -0.160 0.000 1.175 281 A CA 1.681 53.590 52.037 -0.213 0.000 0.628 281 A CB -0.325 18.588 19.000 -0.145 0.000 0.814 281 A HN 0.384 nan 8.150 nan 0.000 0.444 282 M N 0.273 119.778 119.600 -0.158 0.000 2.175 282 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 282 M C 2.409 178.672 176.300 -0.062 0.000 1.063 282 M CA 1.624 56.871 55.300 -0.087 0.000 1.119 282 M CB -0.300 32.262 32.600 -0.062 0.000 1.377 282 M HN 0.638 nan 8.290 nan 0.000 0.415 283 S N -0.127 115.523 115.700 -0.083 0.000 2.465 283 S HA -0.125 4.345 4.470 -0.000 0.000 0.241 283 S C 1.419 176.010 174.600 -0.015 0.000 1.000 283 S CA 1.020 59.217 58.200 -0.005 0.000 0.964 283 S CB -0.373 62.868 63.200 0.069 0.000 0.763 283 S HN 0.436 nan 8.310 nan 0.000 0.512 284 E N 0.593 120.761 120.200 -0.053 0.000 2.479 284 E HA 0.212 4.562 4.350 -0.000 0.000 0.193 284 E C 1.409 177.997 176.600 -0.019 0.000 1.049 284 E CA 0.494 56.874 56.400 -0.033 0.000 0.870 284 E CB 0.026 29.697 29.700 -0.049 0.000 0.944 284 E HN 0.715 nan 8.360 nan 0.000 0.492 285 G N 1.675 110.464 108.800 -0.018 0.000 2.162 285 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 285 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 285 G C 0.650 175.545 174.900 -0.008 0.000 0.976 285 G CA 0.613 45.708 45.100 -0.008 0.000 0.655 285 G HN 0.303 nan 8.290 nan 0.000 0.533 286 V N -1.687 118.217 119.914 -0.017 0.000 2.953 286 V HA 0.725 4.845 4.120 -0.000 0.000 0.304 286 V C 0.561 176.650 176.094 -0.009 0.000 1.073 286 V CA -0.498 61.796 62.300 -0.009 0.000 1.064 286 V CB 1.694 33.510 31.823 -0.013 0.000 1.047 286 V HN 0.203 nan 8.190 nan 0.000 0.478 287 D N 1.364 121.767 120.400 0.004 0.000 2.372 287 D HA 0.501 5.141 4.640 -0.000 0.000 0.243 287 D C -0.596 175.703 176.300 -0.001 0.000 1.121 287 D CA 0.237 54.241 54.000 0.007 0.000 0.898 287 D CB 1.391 42.208 40.800 0.028 0.000 1.202 287 D HN 0.626 nan 8.370 nan 0.000 0.428 288 V N 4.268 124.175 119.914 -0.012 0.000 2.760 288 V HA 0.542 4.662 4.120 -0.000 0.000 0.309 288 V C -0.334 175.739 176.094 -0.034 0.000 1.077 288 V CA -0.934 61.352 62.300 -0.023 0.000 0.910 288 V CB 2.048 33.840 31.823 -0.051 0.000 1.008 288 V HN 0.488 nan 8.190 nan 0.000 0.424 289 R N 2.728 123.210 120.500 -0.030 0.000 2.621 289 R HA 0.793 5.133 4.340 -0.000 0.000 0.292 289 R C -1.588 174.636 176.300 -0.127 0.000 0.969 289 R CA -0.709 55.328 56.100 -0.106 0.000 0.887 289 R CB 2.427 32.697 30.300 -0.050 0.000 1.180 289 R HN 0.458 nan 8.270 nan 0.000 0.450 290 V N 3.731 123.493 119.914 -0.254 0.000 2.483 290 V HA 0.436 4.556 4.120 -0.000 0.000 0.297 290 V C -1.187 174.768 176.094 -0.232 0.000 1.027 290 V CA -0.821 61.418 62.300 -0.102 0.000 0.855 290 V CB 1.315 33.126 31.823 -0.020 0.000 0.995 290 V HN 0.581 nan 8.190 nan 0.000 0.424 291 Y N 2.471 122.834 120.300 0.104 0.000 2.429 291 Y HA 0.633 5.183 4.550 -0.000 0.000 0.342 291 Y C 0.197 176.016 175.900 -0.135 0.000 1.004 291 Y CA -0.575 57.533 58.100 0.013 0.000 1.075 291 Y CB 1.937 40.394 38.460 -0.006 0.000 1.214 291 Y HN 0.680 nan 8.280 nan 0.000 0.455 292 C N 4.989 124.241 119.300 -0.079 0.000 2.322 292 C HA 0.442 4.902 4.460 -0.000 0.000 0.324 292 C C 1.244 176.121 174.990 -0.189 0.000 1.284 292 C CA -0.635 58.115 59.018 -0.447 0.000 1.606 292 C CB -0.755 26.741 27.740 -0.406 0.000 2.251 292 C HN 1.050 nan 8.230 nan 0.000 0.502 293 L N 3.079 124.171 121.223 -0.218 0.000 2.376 293 L HA -0.047 4.293 4.340 -0.000 0.000 0.219 293 L C 2.177 179.021 176.870 -0.044 0.000 1.133 293 L CA 0.997 55.778 54.840 -0.098 0.000 0.816 293 L CB -0.665 41.347 42.059 -0.077 0.000 0.933 293 L HN 0.885 nan 8.230 nan 0.000 0.449 294 H N 0.186 119.167 119.070 -0.148 0.000 2.421 294 H HA -0.128 4.428 4.556 -0.000 0.000 0.298 294 H C 1.979 177.277 175.328 -0.050 0.000 1.087 294 H CA 1.603 57.595 56.048 -0.092 0.000 1.330 294 H CB 0.459 30.151 29.762 -0.116 0.000 1.388 294 H HN 0.234 nan 8.280 nan 0.000 0.526 295 E N -0.535 119.664 120.200 -0.002 0.000 2.367 295 E HA 0.076 4.426 4.350 -0.000 0.000 0.204 295 E C -0.229 176.367 176.600 -0.006 0.000 0.840 295 E CA 0.090 56.489 56.400 -0.002 0.000 1.051 295 E CB 0.571 30.310 29.700 0.064 0.000 1.051 295 E HN 0.438 nan 8.360 nan 0.000 0.509 296 D N 1.712 122.117 120.400 0.009 0.000 2.175 296 D HA 0.197 4.837 4.640 -0.000 0.000 0.248 296 D C -0.538 175.730 176.300 -0.053 0.000 1.047 296 D CA -0.284 53.731 54.000 0.026 0.000 0.883 296 D CB 1.626 42.517 40.800 0.152 0.000 1.180 296 D HN -0.128 nan 8.370 nan 0.000 0.438 297 D N -0.218 120.137 120.400 -0.074 0.000 2.302 297 D HA 0.045 4.685 4.640 -0.000 0.000 0.248 297 D C 1.668 177.870 176.300 -0.164 0.000 1.094 297 D CA -0.463 53.468 54.000 -0.115 0.000 0.897 297 D CB 1.012 41.747 40.800 -0.108 0.000 1.200 297 D HN 0.308 nan 8.370 nan 0.000 0.429 298 R N 1.544 121.938 120.500 -0.176 0.000 2.117 298 R HA -0.210 4.130 4.340 -0.000 0.000 0.243 298 R C 1.707 177.954 176.300 -0.089 0.000 1.143 298 R CA 1.858 57.861 56.100 -0.162 0.000 0.968 298 R CB -0.809 29.309 30.300 -0.304 0.000 0.863 298 R HN 0.425 nan 8.270 nan 0.000 0.444 299 S N 0.368 115.985 115.700 -0.138 0.000 2.402 299 S HA -0.095 4.375 4.470 -0.000 0.000 0.229 299 S C 1.753 176.262 174.600 -0.151 0.000 1.021 299 S CA 0.903 59.032 58.200 -0.117 0.000 0.974 299 S CB 0.010 63.014 63.200 -0.327 0.000 0.800 299 S HN 0.365 nan 8.310 nan 0.000 0.484 300 E N 1.224 121.313 120.200 -0.184 0.000 2.112 300 E HA 0.131 4.481 4.350 -0.000 0.000 0.190 300 E C 2.080 178.479 176.600 -0.336 0.000 0.979 300 E CA 0.665 56.960 56.400 -0.175 0.000 0.814 300 E CB -0.332 29.308 29.700 -0.100 0.000 0.762 300 E HN 0.607 nan 8.360 nan 0.000 0.460 301 I N 1.169 121.431 120.570 -0.514 0.000 2.142 301 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 301 I C 2.583 178.553 176.117 -0.245 0.000 1.078 301 I CA 1.268 62.157 61.300 -0.685 0.000 1.343 301 I CB -0.433 37.277 38.000 -0.484 0.000 1.046 301 I HN 0.007 nan 8.210 nan 0.000 0.405 302 V N -1.109 118.781 119.914 -0.038 0.000 2.626 302 V HA -0.220 3.900 4.120 -0.000 0.000 0.252 302 V C 2.395 178.578 176.094 0.147 0.000 1.067 302 V CA 1.599 63.986 62.300 0.145 0.000 1.081 302 V CB -0.870 31.172 31.823 0.365 0.000 0.686 302 V HN 0.400 nan 8.190 nan 0.000 0.468 303 K N 0.270 120.703 120.400 0.056 0.000 2.063 303 K HA -0.263 4.057 4.320 -0.000 0.000 0.208 303 K C 1.850 178.479 176.600 0.049 0.000 1.048 303 K CA 2.300 58.611 56.287 0.042 0.000 0.928 303 K CB -0.282 32.228 32.500 0.017 0.000 0.713 303 K HN 0.527 nan 8.250 nan 0.000 0.442 304 D N 0.456 120.893 120.400 0.061 0.000 2.194 304 D HA -0.040 4.600 4.640 -0.000 0.000 0.204 304 D C 1.912 178.238 176.300 0.043 0.000 0.964 304 D CA 0.695 54.760 54.000 0.107 0.000 0.846 304 D CB -0.016 40.936 40.800 0.253 0.000 0.962 304 D HN 0.267 nan 8.370 nan 0.000 0.490 305 I N 0.469 121.013 120.570 -0.042 0.000 2.208 305 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 305 I C 2.299 178.264 176.117 -0.253 0.000 1.097 305 I CA 0.502 61.670 61.300 -0.220 0.000 1.363 305 I CB -0.162 37.560 38.000 -0.464 0.000 1.051 305 I HN 0.031 nan 8.210 nan 0.000 0.413 306 L N 0.827 122.026 121.223 -0.040 0.000 2.081 306 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 306 L C 2.100 179.030 176.870 0.099 0.000 1.080 306 L CA 1.982 56.926 54.840 0.172 0.000 0.754 306 L CB -0.570 41.575 42.059 0.143 0.000 0.893 306 L HN 0.223 nan 8.230 nan 0.000 0.433 307 E N -0.764 119.482 120.200 0.076 0.000 2.463 307 E HA 0.185 4.535 4.350 -0.000 0.000 0.193 307 E C 0.128 176.776 176.600 0.081 0.000 1.041 307 E CA 0.054 56.522 56.400 0.113 0.000 0.879 307 E CB 0.170 29.952 29.700 0.136 0.000 0.997 307 E HN 0.374 nan 8.360 nan 0.000 0.478 308 S N -0.738 114.988 115.700 0.043 0.000 2.503 308 S HA 0.472 4.942 4.470 -0.000 0.000 0.301 308 S C 0.984 175.603 174.600 0.031 0.000 1.087 308 S CA -0.533 57.689 58.200 0.037 0.000 1.042 308 S CB 1.946 65.164 63.200 0.030 0.000 1.043 308 S HN 0.242 nan 8.310 nan 0.000 0.489 309 G N 0.548 109.372 108.800 0.040 0.000 2.838 309 G HA2 0.500 4.460 3.960 -0.000 0.000 0.210 309 G HA3 0.500 4.460 3.960 -0.000 0.000 0.210 309 G C 0.160 175.094 174.900 0.056 0.000 1.153 309 G CA 0.380 45.505 45.100 0.041 0.000 0.778 309 G HN 0.954 nan 8.290 nan 0.000 0.539 310 A N -0.252 122.605 122.820 0.062 0.000 2.594 310 A HA 0.717 5.037 4.320 -0.000 0.000 0.295 310 A C -1.091 176.535 177.584 0.071 0.000 1.071 310 A CA -0.732 51.353 52.037 0.080 0.000 0.685 310 A CB 1.186 20.217 19.000 0.053 0.000 1.285 310 A HN 0.695 nan 8.150 nan 0.000 0.405 311 I N -1.747 118.865 120.570 0.070 0.000 3.042 311 I HA 0.976 5.146 4.170 -0.000 0.000 0.310 311 I C -0.275 175.868 176.117 0.043 0.000 1.117 311 I CA -1.189 60.128 61.300 0.028 0.000 1.003 311 I CB 2.416 40.375 38.000 -0.067 0.000 1.228 311 I HN 0.996 nan 8.210 nan 0.000 0.443 312 A N 4.122 126.998 122.820 0.095 0.000 2.356 312 A HA 0.805 5.124 4.320 -0.000 0.000 0.310 312 A C -1.554 176.182 177.584 0.253 0.000 1.075 312 A CA -0.491 51.673 52.037 0.213 0.000 0.746 312 A CB 1.575 20.733 19.000 0.265 0.000 1.221 312 A HN 0.730 nan 8.150 nan 0.000 0.443 313 L N 2.504 123.805 121.223 0.130 0.000 2.325 313 L HA 0.815 5.155 4.340 -0.000 0.000 0.281 313 L C 0.211 176.768 176.870 -0.522 0.000 1.004 313 L CA 0.113 54.898 54.840 -0.092 0.000 0.823 313 L CB 1.595 43.572 42.059 -0.138 0.000 1.236 313 L HN 0.839 nan 8.230 nan 0.000 0.415 314 G N 3.327 111.580 108.800 -0.913 0.000 2.519 314 G HA2 0.901 4.861 3.960 -0.000 0.000 0.307 314 G HA3 0.901 4.861 3.960 -0.000 0.000 0.307 314 G C -1.728 172.850 174.900 -0.535 0.000 1.266 314 G CA -0.165 44.032 45.100 -1.505 0.000 0.970 314 G HN 1.042 nan 8.290 nan 0.000 0.481 315 A N 1.951 124.558 122.820 -0.355 0.000 2.594 315 A HA 0.875 5.195 4.320 -0.000 0.000 0.296 315 A C -3.105 174.442 177.584 -0.063 0.000 1.056 315 A CA -1.045 50.919 52.037 -0.122 0.000 0.693 315 A CB 1.820 20.790 19.000 -0.049 0.000 1.278 315 A HN 0.592 nan 8.150 nan 0.000 0.408 316 P HA 0.400 nan 4.420 nan 0.000 0.276 316 P C -0.326 176.982 177.300 0.013 0.000 1.261 316 P CA 0.125 63.224 63.100 -0.001 0.000 0.800 316 P CB 0.660 32.353 31.700 -0.011 0.000 1.066 317 T N 1.534 116.078 114.554 -0.016 0.000 2.767 317 T HA 0.521 4.871 4.350 -0.000 0.000 0.288 317 T C 0.236 174.895 174.700 -0.069 0.000 0.963 317 T CA -0.099 61.984 62.100 -0.028 0.000 1.019 317 T CB -0.190 68.661 68.868 -0.027 0.000 0.923 317 T HN 0.368 nan 8.240 nan 0.000 0.468 318 I N 1.326 121.846 120.570 -0.084 0.000 2.447 318 I HA 0.475 4.644 4.170 -0.000 0.000 0.287 318 I C -0.891 175.158 176.117 -0.112 0.000 1.023 318 I CA -0.870 60.306 61.300 -0.207 0.000 1.083 318 I CB 0.701 38.563 38.000 -0.231 0.000 1.245 318 I HN 0.599 nan 8.210 nan 0.000 0.434 319 Y N 6.457 126.753 120.300 -0.005 0.000 2.981 319 Y HA -0.264 4.286 4.550 -0.000 0.000 0.204 319 Y C 0.717 176.612 175.900 -0.009 0.000 1.265 319 Y CA 1.346 59.443 58.100 -0.006 0.000 0.941 319 Y CB -2.052 36.401 38.460 -0.011 0.000 1.254 319 Y HN 0.929 nan 8.280 nan 0.000 0.469 320 D N -2.830 117.631 120.400 0.102 0.000 2.748 320 D HA -0.166 4.474 4.640 -0.000 0.000 0.189 320 D C 0.122 176.443 176.300 0.035 0.000 0.982 320 D CA 1.417 55.454 54.000 0.061 0.000 1.017 320 D CB -0.378 40.461 40.800 0.066 0.000 1.076 320 D HN 0.557 nan 8.370 nan 0.000 0.446 321 E N 0.254 120.471 120.200 0.029 0.000 2.263 321 E HA 0.522 4.872 4.350 -0.000 0.000 0.264 321 E C -2.457 174.141 176.600 -0.002 0.000 0.923 321 E CA -1.802 54.605 56.400 0.012 0.000 0.802 321 E CB 1.578 31.284 29.700 0.011 0.000 1.228 321 E HN -0.051 nan 8.360 nan 0.000 0.417 322 P HA -0.006 nan 4.420 nan 0.000 0.270 322 P C -0.366 176.949 177.300 0.025 0.000 1.223 322 P CA -0.105 63.002 63.100 0.011 0.000 0.785 322 P CB 0.146 31.847 31.700 0.002 0.000 0.923 323 Y N 4.511 124.779 120.300 -0.052 0.000 2.881 323 Y HA -0.081 4.469 4.550 -0.000 0.000 0.335 323 Y C -0.934 174.948 175.900 -0.031 0.000 1.263 323 Y CA -0.575 57.498 58.100 -0.045 0.000 1.572 323 Y CB -0.031 38.401 38.460 -0.047 0.000 1.237 323 Y HN 0.430 nan 8.280 nan 0.000 0.568 324 P HA -0.212 nan 4.420 nan 0.000 0.222 324 P C 1.426 178.718 177.300 -0.013 0.000 1.147 324 P CA 1.883 64.897 63.100 -0.143 0.000 0.790 324 P CB -0.083 31.488 31.700 -0.215 0.000 0.780 325 S N 0.419 116.188 115.700 0.116 0.000 2.402 325 S HA -0.176 4.294 4.470 -0.000 0.000 0.233 325 S C 2.021 176.665 174.600 0.073 0.000 1.030 325 S CA 1.682 59.967 58.200 0.140 0.000 1.003 325 S CB -1.976 61.375 63.200 0.251 0.000 0.813 325 S HN 0.195 nan 8.310 nan 0.000 0.477 326 V N 0.799 120.758 119.914 0.075 0.000 2.667 326 V HA 0.227 4.347 4.120 -0.000 0.000 0.252 326 V C 2.317 178.421 176.094 0.017 0.000 1.065 326 V CA 1.598 63.913 62.300 0.026 0.000 1.083 326 V CB -1.560 30.267 31.823 0.007 0.000 0.692 326 V HN 0.478 nan 8.190 nan 0.000 0.468 327 G N 0.205 109.015 108.800 0.016 0.000 2.448 327 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 327 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 327 G C 1.410 176.325 174.900 0.025 0.000 1.127 327 G CA 0.947 46.056 45.100 0.015 0.000 0.766 327 G HN 0.610 nan 8.290 nan 0.000 0.552 328 D N 0.467 120.878 120.400 0.018 0.000 2.091 328 D HA -0.088 4.552 4.640 -0.000 0.000 0.199 328 D C 2.442 178.771 176.300 0.048 0.000 0.980 328 D CA 0.742 54.752 54.000 0.016 0.000 0.831 328 D CB -0.209 40.581 40.800 -0.017 0.000 0.987 328 D HN 0.204 nan 8.370 nan 0.000 0.460 329 L N 0.784 122.032 121.223 0.041 0.000 2.046 329 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 329 L C 2.537 179.481 176.870 0.123 0.000 1.077 329 L CA 1.256 56.147 54.840 0.085 0.000 0.747 329 L CB -0.602 41.476 42.059 0.031 0.000 0.896 329 L HN 0.072 nan 8.230 nan 0.000 0.432 330 L N -1.298 119.967 121.223 0.069 0.000 2.046 330 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 330 L C 2.630 179.560 176.870 0.101 0.000 1.077 330 L CA 1.924 56.804 54.840 0.067 0.000 0.747 330 L CB -0.502 41.576 42.059 0.031 0.000 0.896 330 L HN 0.416 nan 8.230 nan 0.000 0.432 331 M N -1.552 118.108 119.600 0.100 0.000 2.117 331 M HA -0.275 4.205 4.480 -0.000 0.000 0.262 331 M C 2.385 178.778 176.300 0.154 0.000 1.065 331 M CA 1.778 57.140 55.300 0.103 0.000 1.114 331 M CB -0.203 32.446 32.600 0.083 0.000 1.361 331 M HN 0.163 nan 8.290 nan 0.000 0.408 332 Y N 1.085 121.406 120.300 0.034 0.000 2.145 332 Y HA -0.198 4.352 4.550 -0.000 0.000 0.286 332 Y C 1.829 177.774 175.900 0.075 0.000 1.145 332 Y CA 1.828 59.952 58.100 0.040 0.000 1.148 332 Y CB -0.555 37.928 38.460 0.038 0.000 0.981 332 Y HN 0.204 nan 8.280 nan 0.000 0.507 333 L N -0.321 120.997 121.223 0.158 0.000 2.079 333 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 333 L C 2.666 179.614 176.870 0.130 0.000 1.081 333 L CA 1.750 56.703 54.840 0.187 0.000 0.752 333 L CB -0.570 41.668 42.059 0.299 0.000 0.896 333 L HN 0.137 nan 8.230 nan 0.000 0.433 334 R N 0.206 120.764 120.500 0.098 0.000 2.120 334 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 334 R C 2.263 178.558 176.300 -0.007 0.000 1.123 334 R CA 1.315 57.452 56.100 0.062 0.000 0.975 334 R CB -0.334 30.001 30.300 0.059 0.000 0.866 334 R HN 0.402 nan 8.270 nan 0.000 0.446 335 G N 0.569 109.337 108.800 -0.053 0.000 2.402 335 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 335 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 335 G C 1.379 176.160 174.900 -0.198 0.000 1.162 335 G CA 0.400 45.425 45.100 -0.124 0.000 0.777 335 G HN 0.225 nan 8.290 nan 0.000 0.539 336 L N -0.428 120.627 121.223 -0.281 0.000 2.156 336 L HA 0.102 4.442 4.340 -0.000 0.000 0.208 336 L C 0.877 177.524 176.870 -0.372 0.000 1.095 336 L CA 0.561 55.151 54.840 -0.415 0.000 0.770 336 L CB -0.256 41.443 42.059 -0.599 0.000 0.914 336 L HN 0.189 nan 8.230 nan 0.000 0.439 337 K N -0.612 119.674 120.400 -0.190 0.000 3.393 337 K HA -0.239 4.081 4.320 -0.000 0.000 0.272 337 K C 0.446 176.945 176.600 -0.168 0.000 1.004 337 K CA 0.152 56.362 56.287 -0.129 0.000 0.764 337 K CB -2.036 30.394 32.500 -0.117 0.000 1.373 337 K HN 0.083 nan 8.250 nan 0.000 0.458 338 F N 1.537 121.391 119.950 -0.161 0.000 2.287 338 F HA -0.226 4.301 4.527 -0.000 0.000 0.301 338 F C 2.330 177.996 175.800 -0.223 0.000 1.069 338 F CA 1.867 59.751 58.000 -0.193 0.000 1.372 338 F CB -0.213 38.637 39.000 -0.250 0.000 1.056 338 F HN 0.472 nan 8.300 nan 0.000 0.523 339 N N 0.914 119.554 118.700 -0.100 0.000 2.443 339 N HA -0.190 4.550 4.740 -0.000 0.000 0.184 339 N C 1.542 177.014 175.510 -0.064 0.000 1.037 339 N CA 0.913 53.898 53.050 -0.108 0.000 0.896 339 N CB -0.673 37.743 38.487 -0.117 0.000 0.959 339 N HN 0.297 nan 8.380 nan 0.000 0.442 340 R N 0.057 120.517 120.500 -0.068 0.000 2.316 340 R HA 0.001 4.341 4.340 -0.000 0.000 0.202 340 R C 1.672 177.951 176.300 -0.035 0.000 1.029 340 R CA 1.503 57.565 56.100 -0.062 0.000 1.018 340 R CB 0.013 30.259 30.300 -0.091 0.000 0.888 340 R HN 0.601 nan 8.270 nan 0.000 0.471 341 T N -3.012 111.539 114.554 -0.005 0.000 3.056 341 T HA 0.213 4.563 4.350 -0.000 0.000 0.241 341 T C 0.262 174.979 174.700 0.028 0.000 1.006 341 T CA -0.108 62.013 62.100 0.035 0.000 1.115 341 T CB 0.457 69.386 68.868 0.103 0.000 0.939 341 T HN 0.043 nan 8.240 nan 0.000 0.462 342 L N 0.863 122.096 121.223 0.017 0.000 2.703 342 L HA 0.469 4.809 4.340 -0.000 0.000 0.257 342 L C -1.596 175.243 176.870 -0.052 0.000 0.923 342 L CA -0.318 54.521 54.840 -0.003 0.000 0.936 342 L CB 1.806 43.878 42.059 0.022 0.000 1.482 342 L HN 0.054 nan 8.230 nan 0.000 0.432 343 T N 4.502 119.020 114.554 -0.060 0.000 2.738 343 T HA 0.443 4.793 4.350 -0.000 0.000 0.294 343 T C 0.198 174.856 174.700 -0.070 0.000 0.914 343 T CA -0.193 61.846 62.100 -0.100 0.000 1.052 343 T CB -0.190 68.645 68.868 -0.056 0.000 0.897 343 T HN 0.474 nan 8.240 nan 0.000 0.522 344 R N 2.631 123.056 120.500 -0.125 0.000 2.459 344 R HA 0.332 4.672 4.340 -0.000 0.000 0.281 344 R C 0.432 176.823 176.300 0.151 0.000 1.050 344 R CA -0.885 55.227 56.100 0.020 0.000 1.055 344 R CB 0.687 31.018 30.300 0.050 0.000 1.045 344 R HN 0.307 nan 8.270 nan 0.000 0.495 345 K N 1.271 121.750 120.400 0.132 0.000 2.319 345 K HA 0.315 4.635 4.320 -0.000 0.000 0.265 345 K C -0.375 176.333 176.600 0.180 0.000 1.000 345 K CA -0.047 56.321 56.287 0.136 0.000 0.943 345 K CB 1.341 33.889 32.500 0.080 0.000 0.950 345 K HN 0.704 nan 8.250 nan 0.000 0.485 346 A N 2.367 125.275 122.820 0.146 0.000 2.422 346 A HA 0.526 4.846 4.320 -0.000 0.000 0.302 346 A C -1.516 176.110 177.584 0.069 0.000 1.041 346 A CA -0.774 51.316 52.037 0.088 0.000 0.708 346 A CB 1.165 20.191 19.000 0.043 0.000 1.257 346 A HN 0.489 nan 8.150 nan 0.000 0.414 347 L N 3.670 124.938 121.223 0.074 0.000 2.305 347 L HA 0.737 5.077 4.340 -0.000 0.000 0.284 347 L C -0.365 176.609 176.870 0.174 0.000 1.013 347 L CA -0.513 54.393 54.840 0.111 0.000 0.819 347 L CB 1.584 43.703 42.059 0.101 0.000 1.227 347 L HN 0.843 nan 8.230 nan 0.000 0.417 348 V N 3.281 123.280 119.914 0.143 0.000 2.532 348 V HA 0.796 4.916 4.120 -0.000 0.000 0.295 348 V C -0.407 175.824 176.094 0.228 0.000 1.041 348 V CA -0.456 61.913 62.300 0.115 0.000 0.926 348 V CB 0.911 32.743 31.823 0.014 0.000 0.992 348 V HN 0.806 nan 8.190 nan 0.000 0.457 349 F N 1.044 121.003 119.950 0.015 0.000 2.685 349 F HA 1.085 5.612 4.527 -0.000 0.000 0.315 349 F C -0.039 175.775 175.800 0.023 0.000 1.126 349 F CA -0.303 57.708 58.000 0.017 0.000 0.950 349 F CB 1.635 40.644 39.000 0.014 0.000 1.360 349 F HN 1.136 nan 8.300 nan 0.000 0.469 350 G N 0.142 109.035 108.800 0.155 0.000 2.340 350 G HA2 0.438 4.398 3.960 -0.000 0.000 0.300 350 G HA3 0.438 4.398 3.960 -0.000 0.000 0.300 350 G C -2.192 172.756 174.900 0.080 0.000 1.488 350 G CA -0.414 44.715 45.100 0.049 0.000 0.878 350 G HN 0.956 nan 8.290 nan 0.000 0.618 351 S N -0.964 114.767 115.700 0.052 0.000 2.651 351 S HA 0.886 5.356 4.470 -0.000 0.000 0.291 351 S C 0.012 174.604 174.600 -0.013 0.000 1.141 351 S CA 0.050 58.270 58.200 0.033 0.000 1.027 351 S CB 1.014 64.242 63.200 0.047 0.000 1.043 351 S HN 1.462 nan 8.310 nan 0.000 0.530 352 M N 1.923 121.485 119.600 -0.062 0.000 2.721 352 M HA 0.676 5.156 4.480 -0.000 0.000 0.271 352 M C 0.213 176.309 176.300 -0.340 0.000 1.259 352 M CA -0.503 54.728 55.300 -0.116 0.000 0.835 352 M CB 0.718 33.288 32.600 -0.050 0.000 1.689 352 M HN 0.449 nan 8.290 nan 0.000 0.470 353 G N -1.513 107.076 108.800 -0.351 0.000 3.159 353 G HA2 0.572 4.532 3.960 -0.000 0.000 0.232 353 G HA3 0.572 4.532 3.960 -0.000 0.000 0.232 353 G C 0.302 175.110 174.900 -0.154 0.000 1.116 353 G CA 0.333 45.020 45.100 -0.687 0.000 0.767 353 G HN 1.199 nan 8.290 nan 0.000 0.547 354 G N 0.336 109.121 108.800 -0.025 0.000 3.420 354 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.142 354 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.142 354 G C 0.625 175.529 174.900 0.005 0.000 1.209 354 G CA 0.128 45.247 45.100 0.033 0.000 1.454 354 G HN 0.149 nan 8.290 nan 0.000 0.728 355 N N 0.975 119.683 118.700 0.013 0.000 2.409 355 N HA 0.272 5.012 4.740 -0.000 0.000 0.179 355 N C 1.338 176.852 175.510 0.007 0.000 1.032 355 N CA 0.571 53.627 53.050 0.010 0.000 0.898 355 N CB 0.503 39.005 38.487 0.025 0.000 0.971 355 N HN 0.885 nan 8.380 nan 0.000 0.441 356 G N -0.064 108.738 108.800 0.003 0.000 2.601 356 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.252 356 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.252 356 G C 0.551 175.455 174.900 0.008 0.000 1.294 356 G CA -0.094 45.006 45.100 0.001 0.000 0.912 356 G HN 0.592 nan 8.290 nan 0.000 0.574 357 G N -3.209 105.596 108.800 0.007 0.000 2.421 357 G HA2 0.270 4.230 3.960 -0.000 0.000 0.188 357 G HA3 0.270 4.230 3.960 -0.000 0.000 0.188 357 G C 1.667 176.570 174.900 0.005 0.000 1.001 357 G CA 1.342 46.447 45.100 0.009 0.000 0.693 357 G HN 2.328 nan 8.290 nan 0.000 0.479 358 A N 0.863 123.682 122.820 -0.002 0.000 1.877 358 A HA 0.097 4.417 4.320 -0.000 0.000 0.216 358 A C 2.710 180.284 177.584 -0.017 0.000 1.186 358 A CA 3.485 55.516 52.037 -0.011 0.000 0.620 358 A CB -1.259 17.729 19.000 -0.020 0.000 0.822 358 A HN 1.462 nan 8.150 nan 0.000 0.443 359 T N -2.587 111.960 114.554 -0.013 0.000 2.777 359 T HA 0.034 4.384 4.350 -0.000 0.000 0.266 359 T C 1.949 176.650 174.700 0.003 0.000 1.040 359 T CA 1.597 63.692 62.100 -0.009 0.000 1.141 359 T CB -1.063 67.813 68.868 0.014 0.000 0.868 359 T HN 0.454 nan 8.240 nan 0.000 0.444 360 G N 1.470 110.275 108.800 0.008 0.000 2.446 360 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 360 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 360 G C 1.734 176.641 174.900 0.010 0.000 1.168 360 G CA 1.513 46.620 45.100 0.012 0.000 0.771 360 G HN 0.541 nan 8.290 nan 0.000 0.551 361 T N 1.344 115.902 114.554 0.006 0.000 2.708 361 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 361 T C 2.542 177.242 174.700 0.001 0.000 1.037 361 T CA 1.440 63.543 62.100 0.005 0.000 1.146 361 T CB -0.224 68.647 68.868 0.004 0.000 0.865 361 T HN 0.201 nan 8.240 nan 0.000 0.435 362 M N 0.789 120.382 119.600 -0.012 0.000 2.159 362 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 362 M C 2.415 178.707 176.300 -0.014 0.000 1.063 362 M CA 1.435 56.720 55.300 -0.025 0.000 1.110 362 M CB -0.368 32.198 32.600 -0.056 0.000 1.374 362 M HN 0.156 nan 8.290 nan 0.000 0.411 363 K N 0.888 121.289 120.400 0.001 0.000 2.025 363 K HA -0.217 4.103 4.320 -0.000 0.000 0.207 363 K C 1.925 178.544 176.600 0.032 0.000 1.049 363 K CA 1.702 58.000 56.287 0.019 0.000 0.933 363 K CB -0.148 32.367 32.500 0.025 0.000 0.714 363 K HN 0.353 nan 8.250 nan 0.000 0.438 364 E N 0.793 121.009 120.200 0.028 0.000 2.038 364 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 364 E C 2.104 178.730 176.600 0.042 0.000 1.000 364 E CA 1.467 57.887 56.400 0.033 0.000 0.803 364 E CB -0.140 29.575 29.700 0.025 0.000 0.750 364 E HN 0.382 nan 8.360 nan 0.000 0.448 365 L N 0.533 121.777 121.223 0.034 0.000 2.141 365 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 365 L C 2.669 179.579 176.870 0.067 0.000 1.094 365 L CA 0.561 55.426 54.840 0.043 0.000 0.763 365 L CB -0.264 41.812 42.059 0.027 0.000 0.908 365 L HN 0.252 nan 8.230 nan 0.000 0.437 366 L N -0.474 120.779 121.223 0.051 0.000 2.093 366 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 366 L C 2.861 179.862 176.870 0.218 0.000 1.085 366 L CA 1.011 55.905 54.840 0.090 0.000 0.755 366 L CB -0.615 41.417 42.059 -0.044 0.000 0.904 366 L HN 0.229 nan 8.230 nan 0.000 0.435 367 A N 0.024 122.929 122.820 0.141 0.000 1.877 367 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 367 A C 2.143 179.796 177.584 0.116 0.000 1.186 367 A CA 1.628 53.744 52.037 0.130 0.000 0.620 367 A CB -0.443 18.608 19.000 0.084 0.000 0.822 367 A HN 0.444 nan 8.150 nan 0.000 0.443 368 E N -0.276 119.981 120.200 0.096 0.000 2.153 368 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 368 E C 1.903 178.561 176.600 0.096 0.000 0.988 368 E CA 0.836 57.282 56.400 0.077 0.000 0.811 368 E CB -0.246 29.490 29.700 0.059 0.000 0.746 368 E HN 0.612 nan 8.360 nan 0.000 0.466 369 A N 0.378 123.294 122.820 0.161 0.000 2.238 369 A HA 0.241 4.561 4.320 -0.000 0.000 0.208 369 A C 1.537 179.235 177.584 0.189 0.000 1.177 369 A CA 0.742 52.910 52.037 0.219 0.000 0.804 369 A CB -0.255 18.945 19.000 0.333 0.000 0.823 369 A HN 0.306 nan 8.150 nan 0.000 0.482 370 G N -1.828 107.045 108.800 0.122 0.000 2.165 370 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.226 370 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.226 370 G C -0.207 174.585 174.900 -0.179 0.000 1.035 370 G CA -0.021 45.059 45.100 -0.032 0.000 0.744 370 G HN 0.304 nan 8.290 nan 0.000 0.501 371 F N 0.193 120.170 119.950 0.045 0.000 2.458 371 F HA 0.542 5.069 4.527 -0.000 0.000 0.330 371 F C 0.443 176.261 175.800 0.030 0.000 1.082 371 F CA -0.943 57.078 58.000 0.036 0.000 0.995 371 F CB 1.601 40.618 39.000 0.030 0.000 1.170 371 F HN 0.020 nan 8.300 nan 0.000 0.478 372 D N 2.500 123.014 120.400 0.190 0.000 2.411 372 D HA 0.182 4.822 4.640 -0.000 0.000 0.225 372 D C -0.801 175.578 176.300 0.132 0.000 1.156 372 D CA -0.121 53.952 54.000 0.121 0.000 0.874 372 D CB 0.664 41.510 40.800 0.076 0.000 1.034 372 D HN 0.148 nan 8.370 nan 0.000 0.502 373 V N 4.325 124.308 119.914 0.114 0.000 2.397 373 V HA 0.315 4.435 4.120 -0.000 0.000 0.262 373 V C 1.407 177.542 176.094 0.068 0.000 1.047 373 V CA 0.137 62.491 62.300 0.090 0.000 1.003 373 V CB 0.388 32.255 31.823 0.074 0.000 1.037 373 V HN 0.702 nan 8.190 nan 0.000 0.480 374 A N 4.402 127.261 122.820 0.066 0.000 2.115 374 A HA 0.320 4.640 4.320 -0.000 0.000 0.211 374 A C 0.877 178.489 177.584 0.046 0.000 1.169 374 A CA 0.873 52.941 52.037 0.053 0.000 0.787 374 A CB 0.043 19.074 19.000 0.051 0.000 0.858 374 A HN 0.896 nan 8.150 nan 0.000 0.474 375 C N -2.988 116.343 119.300 0.052 0.000 3.306 375 C HA 0.764 5.224 4.460 -0.000 0.000 0.335 375 C C -0.994 174.035 174.990 0.065 0.000 1.382 375 C CA -1.121 57.927 59.018 0.051 0.000 1.254 375 C CB 1.245 29.011 27.740 0.043 0.000 1.555 375 C HN 0.377 nan 8.230 nan 0.000 0.463 376 E N 0.509 120.748 120.200 0.065 0.000 2.274 376 E HA 0.412 4.762 4.350 -0.000 0.000 0.269 376 E C -1.473 175.178 176.600 0.084 0.000 0.891 376 E CA -0.047 56.400 56.400 0.078 0.000 0.784 376 E CB 1.630 31.364 29.700 0.057 0.000 1.225 376 E HN 0.714 nan 8.360 nan 0.000 0.412 377 E N 3.014 123.288 120.200 0.123 0.000 2.186 377 E HA 0.242 4.592 4.350 -0.000 0.000 0.255 377 E C -1.034 175.646 176.600 0.133 0.000 0.881 377 E CA -0.303 56.167 56.400 0.116 0.000 0.752 377 E CB 1.768 31.531 29.700 0.106 0.000 1.176 377 E HN 0.464 nan 8.360 nan 0.000 0.421 378 E N 1.981 122.236 120.200 0.092 0.000 2.171 378 E HA 0.482 4.832 4.350 -0.000 0.000 0.271 378 E C -1.147 175.501 176.600 0.081 0.000 0.916 378 E CA -0.753 55.696 56.400 0.081 0.000 0.774 378 E CB 1.702 31.435 29.700 0.056 0.000 1.128 378 E HN 0.092 nan 8.360 nan 0.000 0.403 379 V N 4.292 124.258 119.914 0.086 0.000 2.656 379 V HA 0.149 4.269 4.120 -0.000 0.000 0.307 379 V C -0.984 175.173 176.094 0.105 0.000 1.051 379 V CA -0.887 61.471 62.300 0.096 0.000 0.893 379 V CB 1.513 33.389 31.823 0.088 0.000 0.999 379 V HN 0.651 nan 8.190 nan 0.000 0.426 380 Y N 6.257 126.546 120.300 -0.018 0.000 2.531 380 Y HA 0.425 4.975 4.550 -0.000 0.000 0.347 380 Y C 0.362 176.281 175.900 0.032 0.000 1.024 380 Y CA -0.120 57.933 58.100 -0.077 0.000 1.306 380 Y CB -0.655 37.775 38.460 -0.049 0.000 1.149 380 Y HN 0.701 nan 8.280 nan 0.000 0.527 381 Y N 1.089 121.212 120.300 -0.294 0.000 2.875 381 Y HA -0.386 4.164 4.550 -0.000 0.000 0.467 381 Y C 0.347 176.174 175.900 -0.121 0.000 1.183 381 Y CA 0.546 58.472 58.100 -0.290 0.000 2.568 381 Y CB -1.814 36.323 38.460 -0.537 0.000 1.216 381 Y HN 0.289 nan 8.280 nan 0.000 0.629 382 V N 4.719 124.687 119.914 0.090 0.000 2.455 382 V HA 0.229 4.349 4.120 -0.000 0.000 0.273 382 V C -1.863 174.257 176.094 0.043 0.000 1.045 382 V CA -1.299 61.024 62.300 0.039 0.000 0.976 382 V CB 0.642 32.462 31.823 -0.005 0.000 0.993 382 V HN 0.351 nan 8.190 nan 0.000 0.475 383 P HA 0.103 nan 4.420 nan 0.000 0.264 383 P C 0.301 177.618 177.300 0.028 0.000 1.193 383 P CA 0.036 63.159 63.100 0.039 0.000 0.763 383 P CB 0.337 32.052 31.700 0.026 0.000 0.810 384 T N -0.455 114.121 114.554 0.037 0.000 2.701 384 T HA 0.182 4.532 4.350 -0.000 0.000 0.303 384 T C 1.866 176.573 174.700 0.012 0.000 1.030 384 T CA 0.129 62.244 62.100 0.025 0.000 1.010 384 T CB -0.077 68.810 68.868 0.031 0.000 1.007 384 T HN 0.444 nan 8.240 nan 0.000 0.532 385 G N 0.278 109.079 108.800 0.002 0.000 2.440 385 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 385 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 385 G C 1.167 176.062 174.900 -0.010 0.000 1.154 385 G CA 0.860 45.955 45.100 -0.010 0.000 0.767 385 G HN 0.878 nan 8.290 nan 0.000 0.552 386 D N 0.792 121.191 120.400 -0.002 0.000 2.178 386 D HA -0.076 4.564 4.640 -0.000 0.000 0.202 386 D C 2.175 178.482 176.300 0.012 0.000 0.974 386 D CA 0.944 54.944 54.000 0.001 0.000 0.841 386 D CB -0.191 40.612 40.800 0.006 0.000 0.953 386 D HN 0.470 nan 8.370 nan 0.000 0.478 387 E N 0.131 120.343 120.200 0.021 0.000 2.152 387 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 387 E C 1.969 178.584 176.600 0.025 0.000 0.983 387 E CA 0.068 56.486 56.400 0.030 0.000 0.818 387 E CB 0.147 29.872 29.700 0.042 0.000 0.758 387 E HN 0.066 nan 8.360 nan 0.000 0.467 388 L N 1.545 122.778 121.223 0.016 0.000 2.056 388 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 388 L C 1.616 178.511 176.870 0.042 0.000 1.078 388 L CA 1.717 56.567 54.840 0.017 0.000 0.749 388 L CB -0.696 41.366 42.059 0.005 0.000 0.901 388 L HN 0.038 nan 8.230 nan 0.000 0.433 389 D N -0.482 119.927 120.400 0.016 0.000 2.149 389 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 389 D C 2.179 178.530 176.300 0.084 0.000 0.990 389 D CA 1.413 55.420 54.000 0.011 0.000 0.839 389 D CB 0.006 40.782 40.800 -0.041 0.000 0.948 389 D HN 0.337 nan 8.370 nan 0.000 0.460 390 A N -0.021 122.833 122.820 0.058 0.000 1.929 390 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 390 A C 2.463 180.079 177.584 0.052 0.000 1.176 390 A CA 0.890 52.961 52.037 0.057 0.000 0.628 390 A CB -0.750 18.273 19.000 0.039 0.000 0.816 390 A HN 0.334 nan 8.150 nan 0.000 0.444 391 C N -1.872 117.448 119.300 0.034 0.000 2.429 391 C HA -0.086 4.374 4.460 -0.000 0.000 0.277 391 C C 2.383 177.370 174.990 -0.005 0.000 1.262 391 C CA 0.980 59.980 59.018 -0.029 0.000 1.733 391 C CB -1.665 26.027 27.740 -0.080 0.000 2.010 391 C HN 0.699 nan 8.230 nan 0.000 0.483 392 F N 2.281 122.185 119.950 -0.077 0.000 2.069 392 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 392 F C 2.440 178.211 175.800 -0.049 0.000 1.113 392 F CA 2.387 60.349 58.000 -0.063 0.000 1.214 392 F CB -0.384 38.590 39.000 -0.044 0.000 0.978 392 F HN 0.179 nan 8.300 nan 0.000 0.474 393 E N 0.883 121.238 120.200 0.257 0.000 2.058 393 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 393 E C 2.116 178.719 176.600 0.005 0.000 0.997 393 E CA 1.756 58.238 56.400 0.137 0.000 0.801 393 E CB -0.747 29.031 29.700 0.129 0.000 0.746 393 E HN 0.423 nan 8.360 nan 0.000 0.450 394 A N 0.195 123.008 122.820 -0.011 0.000 1.908 394 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 394 A C 2.518 180.053 177.584 -0.083 0.000 1.181 394 A CA 2.010 54.026 52.037 -0.036 0.000 0.627 394 A CB -1.442 17.537 19.000 -0.034 0.000 0.818 394 A HN 0.442 nan 8.150 nan 0.000 0.445 395 G N -1.024 107.685 108.800 -0.151 0.000 2.408 395 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 395 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 395 G C 1.743 176.517 174.900 -0.210 0.000 1.150 395 G CA 0.918 45.899 45.100 -0.199 0.000 0.776 395 G HN 0.518 nan 8.290 nan 0.000 0.542 396 R N 0.551 120.895 120.500 -0.261 0.000 2.075 396 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 396 R C 2.439 178.681 176.300 -0.097 0.000 1.126 396 R CA 1.539 57.510 56.100 -0.215 0.000 0.963 396 R CB -0.272 29.913 30.300 -0.191 0.000 0.858 396 R HN 0.325 nan 8.270 nan 0.000 0.435 397 K N 0.424 120.787 120.400 -0.062 0.000 2.103 397 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 397 K C 2.127 178.714 176.600 -0.023 0.000 1.052 397 K CA 0.848 57.119 56.287 -0.025 0.000 0.945 397 K CB -0.049 32.447 32.500 -0.008 0.000 0.722 397 K HN 0.122 nan 8.250 nan 0.000 0.443 398 L N 0.972 122.174 121.223 -0.034 0.000 2.056 398 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 398 L C 2.237 179.095 176.870 -0.020 0.000 1.078 398 L CA 1.861 56.690 54.840 -0.018 0.000 0.749 398 L CB -0.493 41.554 42.059 -0.021 0.000 0.901 398 L HN 0.176 nan 8.230 nan 0.000 0.433 399 A N -0.384 122.409 122.820 -0.044 0.000 1.858 399 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 399 A C 2.467 180.037 177.584 -0.024 0.000 1.190 399 A CA 1.858 53.871 52.037 -0.040 0.000 0.617 399 A CB -1.309 17.650 19.000 -0.069 0.000 0.827 399 A HN 0.551 nan 8.150 nan 0.000 0.443 400 A N 0.005 122.809 122.820 -0.026 0.000 1.917 400 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 400 A C 1.968 179.550 177.584 -0.002 0.000 1.182 400 A CA 2.389 54.419 52.037 -0.012 0.000 0.633 400 A CB -0.605 18.389 19.000 -0.009 0.000 0.819 400 A HN 0.677 nan 8.150 nan 0.000 0.448 401 E N 0.517 120.717 120.200 0.000 0.000 2.110 401 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 401 E C 1.447 178.053 176.600 0.011 0.000 0.988 401 E CA 1.707 58.111 56.400 0.008 0.000 0.804 401 E CB -0.507 29.200 29.700 0.013 0.000 0.745 401 E HN 0.774 nan 8.360 nan 0.000 0.458 402 I N -1.557 119.019 120.570 0.010 0.000 3.684 402 I HA 0.213 4.383 4.170 -0.000 0.000 0.304 402 I C 0.746 176.870 176.117 0.012 0.000 1.278 402 I CA -0.009 61.300 61.300 0.014 0.000 1.272 402 I CB -0.054 37.957 38.000 0.019 0.000 1.029 402 I HN -0.144 nan 8.210 nan 0.000 0.458 403 R N 0.000 120.505 120.500 0.008 0.000 2.786 403 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 403 R CA 0.000 56.105 56.100 0.007 0.000 0.921 403 R CB 0.000 30.302 30.300 0.004 0.000 0.687 403 R HN 0.000 nan 8.270 nan 0.000 0.535