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 2ohh_1_D 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 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 2 K N 2.260 122.669 120.400 0.015 0.000 2.264 2 K HA 0.743 5.063 4.320 -0.001 0.000 0.277 2 K C -1.207 175.418 176.600 0.042 0.000 1.067 2 K CA -0.168 56.133 56.287 0.023 0.000 0.900 2 K CB 1.476 33.993 32.500 0.029 0.000 1.124 2 K HN 0.629 nan 8.250 nan 0.000 0.469 3 A N 2.187 125.031 122.820 0.040 0.000 2.491 3 A HA 0.619 4.938 4.320 -0.001 0.000 0.293 3 A C -1.194 176.432 177.584 0.070 0.000 1.047 3 A CA -0.699 51.380 52.037 0.071 0.000 0.735 3 A CB 1.346 20.384 19.000 0.063 0.000 1.281 3 A HN 0.660 nan 8.150 nan 0.000 0.398 4 A N 1.375 124.261 122.820 0.111 0.000 2.293 4 A HA 0.876 5.195 4.320 -0.001 0.000 0.302 4 A C 0.658 178.352 177.584 0.183 0.000 1.119 4 A CA 0.158 52.265 52.037 0.116 0.000 0.823 4 A CB 0.671 19.740 19.000 0.115 0.000 1.097 4 A HN 2.381 nan 8.150 nan 0.000 0.491 5 A N 0.747 123.668 122.820 0.168 0.000 2.287 5 A HA 0.640 4.959 4.320 -0.001 0.000 0.273 5 A C 0.090 177.896 177.584 0.371 0.000 1.091 5 A CA -0.321 51.877 52.037 0.267 0.000 0.817 5 A CB 0.332 19.442 19.000 0.183 0.000 1.069 5 A HN 0.741 nan 8.150 nan 0.000 0.492 6 K N 0.691 121.380 120.400 0.481 0.000 2.450 6 K HA 0.332 4.651 4.320 -0.001 0.000 0.257 6 K C -0.315 176.436 176.600 0.251 0.000 0.953 6 K CA -0.314 56.169 56.287 0.326 0.000 0.844 6 K CB 0.874 33.497 32.500 0.205 0.000 1.103 6 K HN 0.663 nan 8.250 nan 0.000 0.429 7 R N 4.962 125.503 120.500 0.069 0.000 2.449 7 R HA 0.159 4.498 4.340 -0.001 0.000 0.296 7 R C 0.731 176.926 176.300 -0.176 0.000 1.047 7 R CA 0.303 56.176 56.100 -0.377 0.000 1.018 7 R CB 0.193 30.267 30.300 -0.377 0.000 0.962 7 R HN 0.892 nan 8.270 nan 0.000 0.428 8 I N -0.970 119.497 120.570 -0.172 0.000 4.456 8 I HA 0.337 4.506 4.170 -0.001 0.000 0.329 8 I C 0.175 176.241 176.117 -0.086 0.000 1.313 8 I CA -0.342 60.924 61.300 -0.056 0.000 1.205 8 I CB 0.922 38.959 38.000 0.062 0.000 1.179 8 I HN 0.371 nan 8.210 nan 0.000 0.419 9 S N 0.245 115.866 115.700 -0.131 0.000 2.636 9 S HA 0.191 4.660 4.470 -0.001 0.000 0.268 9 S C -1.667 172.855 174.600 -0.129 0.000 1.159 9 S CA -0.649 57.489 58.200 -0.104 0.000 0.815 9 S CB 1.462 64.621 63.200 -0.069 0.000 1.130 9 S HN 0.314 nan 8.310 nan 0.000 0.471 10 D N 0.938 121.294 120.400 -0.073 0.000 2.451 10 D HA 0.256 4.895 4.640 -0.001 0.000 0.254 10 D C 1.259 177.555 176.300 -0.006 0.000 1.204 10 D CA 1.995 55.971 54.000 -0.041 0.000 0.896 10 D CB 0.288 41.078 40.800 -0.016 0.000 1.136 10 D HN 1.106 nan 8.370 nan 0.000 0.499 11 G N 2.798 111.619 108.800 0.036 0.000 2.166 11 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.260 11 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.260 11 G C 0.242 175.273 174.900 0.219 0.000 0.986 11 G CA 0.504 45.715 45.100 0.185 0.000 0.683 11 G HN 0.523 nan 8.290 nan 0.000 0.527 12 V N 0.085 120.011 119.914 0.020 0.000 2.448 12 V HA 0.711 4.830 4.120 -0.001 0.000 0.295 12 V C -0.494 175.566 176.094 -0.057 0.000 1.025 12 V CA -0.973 61.400 62.300 0.121 0.000 0.859 12 V CB 1.416 33.331 31.823 0.154 0.000 0.988 12 V HN 0.251 nan 8.190 nan 0.000 0.431 13 Y N 1.826 122.254 120.300 0.214 0.000 2.442 13 Y HA 0.400 4.949 4.550 -0.001 0.000 0.344 13 Y C -0.453 175.636 175.900 0.316 0.000 0.976 13 Y CA -0.675 57.561 58.100 0.227 0.000 1.040 13 Y CB 1.906 40.443 38.460 0.129 0.000 1.228 13 Y HN 0.766 nan 8.280 nan 0.000 0.451 14 W N 4.492 125.961 121.300 0.282 0.000 2.356 14 W HA 0.392 5.051 4.660 -0.001 0.000 0.311 14 W C 0.020 176.568 176.519 0.047 0.000 1.328 14 W CA -0.273 57.143 57.345 0.119 0.000 1.251 14 W CB 0.961 30.478 29.460 0.094 0.000 1.280 14 W HN 0.518 nan 8.180 nan 0.000 0.524 15 T N 3.404 117.514 114.554 -0.741 0.000 3.624 15 T HA 0.463 4.812 4.350 -0.001 0.000 0.244 15 T C 0.237 174.270 174.700 -1.111 0.000 1.063 15 T CA -0.383 61.283 62.100 -0.723 0.000 1.252 15 T CB -0.197 68.478 68.868 -0.322 0.000 1.021 15 T HN 0.508 nan 8.240 nan 0.000 0.590 16 G N 0.534 107.973 108.800 -2.269 0.000 2.537 16 G HA2 0.639 4.598 3.960 -0.001 0.000 0.297 16 G HA3 0.639 4.598 3.960 -0.001 0.000 0.297 16 G C -1.041 173.468 174.900 -0.652 0.000 1.310 16 G CA -0.789 43.484 45.100 -1.378 0.000 1.027 16 G HN 0.463 nan 8.290 nan 0.000 0.505 17 V N 0.232 120.079 119.914 -0.112 0.000 2.495 17 V HA 0.361 4.481 4.120 -0.001 0.000 0.298 17 V C -0.153 175.980 176.094 0.064 0.000 1.031 17 V CA -0.551 61.786 62.300 0.062 0.000 0.871 17 V CB 1.582 33.521 31.823 0.193 0.000 0.988 17 V HN 0.506 nan 8.190 nan 0.000 0.432 18 L N 3.933 125.157 121.223 0.001 0.000 2.260 18 L HA 0.468 4.808 4.340 -0.001 0.000 0.289 18 L C -0.136 176.530 176.870 -0.340 0.000 1.057 18 L CA -0.161 54.496 54.840 -0.305 0.000 0.811 18 L CB 0.723 42.446 42.059 -0.561 0.000 1.184 18 L HN 0.559 nan 8.230 nan 0.000 0.429 19 D N 2.871 123.033 120.400 -0.398 0.000 2.493 19 D HA 0.111 4.750 4.640 -0.001 0.000 0.235 19 D C 0.522 176.719 176.300 -0.171 0.000 1.117 19 D CA -0.391 53.479 54.000 -0.216 0.000 0.930 19 D CB 0.536 41.183 40.800 -0.254 0.000 1.010 19 D HN 0.388 nan 8.370 nan 0.000 0.514 20 W N 1.549 122.836 121.300 -0.021 0.000 2.425 20 W HA -0.051 4.608 4.660 -0.001 0.000 0.277 20 W C 1.516 178.024 176.519 -0.018 0.000 1.231 20 W CA 0.104 57.440 57.345 -0.014 0.000 1.248 20 W CB 0.415 29.877 29.460 0.003 0.000 1.117 20 W HN 0.300 nan 8.180 nan 0.000 0.568 21 D N -0.557 119.959 120.400 0.194 0.000 2.346 21 D HA 0.036 4.675 4.640 -0.001 0.000 0.206 21 D C 0.526 176.855 176.300 0.048 0.000 1.001 21 D CA 0.225 54.297 54.000 0.120 0.000 0.871 21 D CB -0.123 40.739 40.800 0.104 0.000 0.943 21 D HN -0.016 nan 8.370 nan 0.000 0.518 22 L N 1.615 122.837 121.223 -0.001 0.000 2.416 22 L HA 0.099 4.438 4.340 -0.001 0.000 0.272 22 L C 1.103 177.962 176.870 -0.018 0.000 1.161 22 L CA 0.456 55.263 54.840 -0.054 0.000 0.845 22 L CB 0.604 42.569 42.059 -0.156 0.000 1.119 22 L HN -0.265 nan 8.230 nan 0.000 0.464 23 R N 2.055 122.553 120.500 -0.003 0.000 2.412 23 R HA 0.299 4.638 4.340 -0.001 0.000 0.212 23 R C -0.311 176.005 176.300 0.026 0.000 0.878 23 R CA 0.029 56.142 56.100 0.022 0.000 1.022 23 R CB 0.050 30.367 30.300 0.028 0.000 1.265 23 R HN 0.645 nan 8.270 nan 0.000 0.620 24 N N 0.344 119.056 118.700 0.021 0.000 2.454 24 N HA 0.084 4.823 4.740 -0.001 0.000 0.291 24 N C -2.013 173.527 175.510 0.050 0.000 1.079 24 N CA -0.313 52.754 53.050 0.029 0.000 0.893 24 N CB 1.539 40.035 38.487 0.015 0.000 1.512 24 N HN -0.120 nan 8.380 nan 0.000 0.497 25 Y N 4.093 124.271 120.300 -0.204 0.000 2.326 25 Y HA 0.218 4.768 4.550 -0.001 0.000 0.329 25 Y C -0.226 175.341 175.900 -0.556 0.000 0.973 25 Y CA -0.789 57.079 58.100 -0.387 0.000 1.162 25 Y CB 0.013 38.117 38.460 -0.593 0.000 1.147 25 Y HN 0.747 nan 8.280 nan 0.000 0.456 26 H N 2.905 121.777 119.070 -0.330 0.000 2.355 26 H HA -0.141 4.415 4.556 -0.001 0.000 0.324 26 H C 0.965 176.210 175.328 -0.138 0.000 1.015 26 H CA 0.726 56.609 56.048 -0.275 0.000 1.101 26 H CB -1.815 27.691 29.762 -0.426 0.000 1.555 26 H HN 1.380 nan 8.280 nan 0.000 0.386 27 G N -0.960 107.826 108.800 -0.024 0.000 2.198 27 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.260 27 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.260 27 G C -0.130 174.752 174.900 -0.029 0.000 1.025 27 G CA 0.338 45.404 45.100 -0.057 0.000 0.769 27 G HN 1.089 nan 8.290 nan 0.000 0.507 28 Y N 1.575 121.785 120.300 -0.150 0.000 2.341 28 Y HA 0.574 5.123 4.550 -0.001 0.000 0.338 28 Y C 0.753 176.592 175.900 -0.102 0.000 0.965 28 Y CA -0.239 57.795 58.100 -0.109 0.000 1.108 28 Y CB 1.512 39.874 38.460 -0.165 0.000 1.180 28 Y HN 0.354 nan 8.280 nan 0.000 0.458 29 T N 5.082 119.610 114.554 -0.043 0.000 2.909 29 T HA 0.729 5.078 4.350 -0.001 0.000 0.286 29 T C -0.834 173.937 174.700 0.117 0.000 1.002 29 T CA -0.530 61.587 62.100 0.028 0.000 1.074 29 T CB 1.519 70.371 68.868 -0.028 0.000 0.984 29 T HN 0.616 nan 8.240 nan 0.000 0.495 30 L N -0.669 120.632 121.223 0.130 0.000 2.892 30 L HA 0.728 5.067 4.340 -0.001 0.000 0.269 30 L C -0.772 176.161 176.870 0.106 0.000 1.058 30 L CA -1.159 53.785 54.840 0.173 0.000 0.923 30 L CB 1.485 43.661 42.059 0.195 0.000 1.518 30 L HN 0.534 nan 8.230 nan 0.000 0.402 31 Q N 0.580 120.449 119.800 0.114 0.000 2.773 31 Q HA 0.658 4.997 4.340 -0.001 0.000 0.373 31 Q C -0.107 175.950 176.000 0.095 0.000 0.940 31 Q CA 0.567 56.431 55.803 0.102 0.000 1.015 31 Q CB 0.357 29.164 28.738 0.115 0.000 1.349 31 Q HN 1.402 nan 8.270 nan 0.000 0.413 32 G N 0.185 109.014 108.800 0.048 0.000 2.712 32 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.686 32 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.686 32 G C -0.501 174.361 174.900 -0.064 0.000 1.321 32 G CA -0.317 44.774 45.100 -0.014 0.000 0.813 32 G HN 0.515 nan 8.290 nan 0.000 0.599 33 T N -1.075 113.367 114.554 -0.187 0.000 2.696 33 T HA 0.931 5.280 4.350 -0.001 0.000 0.291 33 T C 0.295 174.770 174.700 -0.375 0.000 1.095 33 T CA 1.009 63.006 62.100 -0.172 0.000 1.026 33 T CB 1.585 70.421 68.868 -0.053 0.000 1.390 33 T HN 2.199 nan 8.240 nan 0.000 0.513 34 T N 0.005 114.391 114.554 -0.279 0.000 2.916 34 T HA 0.721 5.070 4.350 -0.001 0.000 0.292 34 T C -1.752 172.709 174.700 -0.399 0.000 1.055 34 T CA -0.595 61.302 62.100 -0.339 0.000 1.009 34 T CB 1.183 70.029 68.868 -0.035 0.000 1.118 34 T HN 0.462 nan 8.240 nan 0.000 0.497 35 Y N 1.242 121.618 120.300 0.127 0.000 2.464 35 Y HA 0.457 5.006 4.550 -0.001 0.000 0.326 35 Y C 0.168 176.076 175.900 0.013 0.000 0.969 35 Y CA -1.517 56.621 58.100 0.063 0.000 1.270 35 Y CB 0.574 39.048 38.460 0.023 0.000 1.103 35 Y HN 0.552 nan 8.280 nan 0.000 0.491 36 N N 2.692 121.472 118.700 0.134 0.000 2.422 36 N HA 0.594 5.333 4.740 -0.001 0.000 0.264 36 N C -0.528 174.795 175.510 -0.312 0.000 1.063 36 N CA -0.174 52.847 53.050 -0.048 0.000 0.959 36 N CB 1.598 40.193 38.487 0.180 0.000 1.087 36 N HN 0.680 nan 8.380 nan 0.000 0.483 37 A N 2.504 124.935 122.820 -0.649 0.000 2.374 37 A HA 0.749 5.068 4.320 -0.001 0.000 0.317 37 A C -1.486 175.610 177.584 -0.813 0.000 1.094 37 A CA -0.557 51.184 52.037 -0.495 0.000 0.765 37 A CB 0.934 19.763 19.000 -0.285 0.000 1.268 37 A HN 0.567 nan 8.150 nan 0.000 0.438 38 Y N 0.318 120.559 120.300 -0.099 0.000 2.391 38 Y HA 0.553 5.103 4.550 -0.001 0.000 0.341 38 Y C -0.450 175.386 175.900 -0.106 0.000 0.965 38 Y CA -0.668 57.397 58.100 -0.059 0.000 1.067 38 Y CB 2.067 40.503 38.460 -0.041 0.000 1.199 38 Y HN 0.571 nan 8.280 nan 0.000 0.450 39 L N 4.205 125.503 121.223 0.125 0.000 2.265 39 L HA 0.641 4.980 4.340 -0.001 0.000 0.289 39 L C -1.071 175.892 176.870 0.155 0.000 1.033 39 L CA -0.437 54.446 54.840 0.072 0.000 0.814 39 L CB 0.789 42.862 42.059 0.023 0.000 1.203 39 L HN 0.475 nan 8.230 nan 0.000 0.423 40 V N 4.358 124.306 119.914 0.056 0.000 2.357 40 V HA 0.354 4.473 4.120 -0.001 0.000 0.284 40 V C -0.569 175.565 176.094 0.066 0.000 1.018 40 V CA -0.544 61.802 62.300 0.078 0.000 0.841 40 V CB 1.246 33.065 31.823 -0.007 0.000 0.991 40 V HN 0.824 nan 8.190 nan 0.000 0.437 41 C N 4.834 124.198 119.300 0.107 0.000 2.321 41 C HA 0.744 5.204 4.460 -0.001 0.000 0.323 41 C C 1.200 176.234 174.990 0.072 0.000 1.191 41 C CA -0.782 58.284 59.018 0.080 0.000 1.455 41 C CB 0.131 27.928 27.740 0.095 0.000 2.083 41 C HN 1.027 nan 8.230 nan 0.000 0.442 42 G N 2.023 110.854 108.800 0.052 0.000 2.494 42 G HA2 0.341 4.300 3.960 -0.001 0.000 0.270 42 G HA3 0.341 4.300 3.960 -0.001 0.000 0.270 42 G C 0.474 175.399 174.900 0.042 0.000 1.423 42 G CA 0.036 45.162 45.100 0.043 0.000 1.055 42 G HN 0.716 nan 8.290 nan 0.000 0.536 43 D N -2.117 118.304 120.400 0.036 0.000 2.349 43 D HA 0.146 4.785 4.640 -0.001 0.000 0.214 43 D C 1.292 177.611 176.300 0.031 0.000 1.063 43 D CA 0.297 54.315 54.000 0.031 0.000 0.847 43 D CB 0.839 41.655 40.800 0.027 0.000 0.933 43 D HN 0.322 nan 8.370 nan 0.000 0.513 44 E N -0.160 120.066 120.200 0.043 0.000 2.306 44 E HA 0.379 4.729 4.350 -0.001 0.000 0.201 44 E C 0.545 177.186 176.600 0.069 0.000 0.874 44 E CA 0.583 57.015 56.400 0.053 0.000 0.972 44 E CB 1.062 30.802 29.700 0.068 0.000 0.957 44 E HN 0.243 nan 8.360 nan 0.000 0.492 45 G N -0.477 108.381 108.800 0.097 0.000 2.696 45 G HA2 0.547 4.506 3.960 -0.001 0.000 0.295 45 G HA3 0.547 4.506 3.960 -0.001 0.000 0.295 45 G C -1.542 173.429 174.900 0.120 0.000 1.398 45 G CA -0.497 44.701 45.100 0.162 0.000 0.920 45 G HN -0.033 nan 8.290 nan 0.000 0.492 46 V N 0.385 120.341 119.914 0.071 0.000 2.540 46 V HA 0.812 4.931 4.120 -0.001 0.000 0.302 46 V C 0.175 176.303 176.094 0.057 0.000 1.035 46 V CA -0.653 61.657 62.300 0.017 0.000 0.873 46 V CB 1.497 33.268 31.823 -0.088 0.000 0.992 46 V HN 1.255 nan 8.190 nan 0.000 0.428 47 A N 4.536 127.383 122.820 0.045 0.000 2.343 47 A HA 0.869 5.188 4.320 -0.001 0.000 0.316 47 A C -1.195 176.362 177.584 -0.045 0.000 1.104 47 A CA -0.555 51.505 52.037 0.039 0.000 0.768 47 A CB 1.386 20.390 19.000 0.007 0.000 1.213 47 A HN 0.849 nan 8.150 nan 0.000 0.456 48 L N 3.584 124.776 121.223 -0.051 0.000 2.272 48 L HA 0.604 4.943 4.340 -0.001 0.000 0.289 48 L C -0.843 176.008 176.870 -0.031 0.000 1.032 48 L CA -0.160 54.644 54.840 -0.061 0.000 0.810 48 L CB 0.599 42.615 42.059 -0.071 0.000 1.205 48 L HN 0.576 nan 8.230 nan 0.000 0.422 49 I N 5.818 126.350 120.570 -0.063 0.000 2.297 49 I HA 0.306 4.475 4.170 -0.001 0.000 0.291 49 I C -0.460 175.688 176.117 0.050 0.000 1.033 49 I CA -0.529 60.743 61.300 -0.047 0.000 1.253 49 I CB 0.468 38.307 38.000 -0.269 0.000 1.396 49 I HN 0.679 nan 8.210 nan 0.000 0.476 50 D N 4.162 124.622 120.400 0.101 0.000 10.448 50 D HA -0.215 4.424 4.640 -0.001 0.000 0.360 50 D C -0.452 175.914 176.300 0.111 0.000 3.024 50 D CA 1.149 55.254 54.000 0.175 0.000 2.424 50 D CB -0.081 40.887 40.800 0.280 0.000 1.149 50 D HN 0.886 nan 8.370 nan 0.000 1.024 51 N N -1.438 117.345 118.700 0.140 0.000 2.515 51 N HA 0.649 5.389 4.740 -0.001 0.000 0.149 51 N C -0.757 174.795 175.510 0.071 0.000 1.820 51 N CA 0.349 53.440 53.050 0.067 0.000 1.261 51 N CB 0.505 39.032 38.487 0.065 0.000 1.662 51 N HN 0.672 nan 8.380 nan 0.000 0.346 52 S N -3.078 112.630 115.700 0.014 0.000 2.703 52 S HA 0.332 4.801 4.470 -0.001 0.000 0.273 52 S C -1.622 172.847 174.600 -0.219 0.000 1.178 52 S CA -0.959 57.201 58.200 -0.067 0.000 0.838 52 S CB 0.349 63.579 63.200 0.050 0.000 1.178 52 S HN 0.487 nan 8.310 nan 0.000 0.494 53 Y N 2.739 122.676 120.300 -0.604 0.000 2.480 53 Y HA 0.401 4.950 4.550 -0.001 0.000 0.338 53 Y C -2.554 173.213 175.900 -0.222 0.000 1.220 53 Y CA -0.896 56.871 58.100 -0.555 0.000 1.430 53 Y CB 0.319 38.266 38.460 -0.855 0.000 1.311 53 Y HN 0.407 nan 8.280 nan 0.000 0.575 54 P HA 0.098 nan 4.420 nan 0.000 0.266 54 P C 0.297 177.557 177.300 -0.066 0.000 1.193 54 P CA 2.029 64.916 63.100 -0.355 0.000 0.770 54 P CB 0.476 31.928 31.700 -0.414 0.000 0.836 55 G N 1.613 110.418 108.800 0.009 0.000 2.195 55 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.246 55 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.246 55 G C 0.634 175.610 174.900 0.127 0.000 0.984 55 G CA 0.498 45.650 45.100 0.086 0.000 0.633 55 G HN 0.700 nan 8.290 nan 0.000 0.525 56 T N -2.140 112.493 114.554 0.132 0.000 3.176 56 T HA 0.472 4.821 4.350 -0.001 0.000 0.263 56 T C 1.519 176.293 174.700 0.124 0.000 1.021 56 T CA 0.607 62.788 62.100 0.136 0.000 0.905 56 T CB -0.024 68.937 68.868 0.155 0.000 1.057 56 T HN 0.546 nan 8.240 nan 0.000 0.558 57 F N 2.907 122.852 119.950 -0.010 0.000 2.146 57 F HA 0.012 4.538 4.527 -0.001 0.000 0.298 57 F C 1.427 177.216 175.800 -0.018 0.000 1.096 57 F CA 1.221 59.205 58.000 -0.027 0.000 1.275 57 F CB -0.283 38.690 39.000 -0.045 0.000 1.008 57 F HN 0.095 nan 8.300 nan 0.000 0.480 58 D N 0.327 120.690 120.400 -0.061 0.000 2.123 58 D HA -0.221 4.419 4.640 -0.001 0.000 0.196 58 D C 2.171 178.357 176.300 -0.190 0.000 0.992 58 D CA 1.621 55.519 54.000 -0.170 0.000 0.833 58 D CB -0.431 40.360 40.800 -0.016 0.000 0.954 58 D HN 0.571 nan 8.370 nan 0.000 0.455 59 E N 0.136 120.277 120.200 -0.097 0.000 2.047 59 E HA -0.141 4.208 4.350 -0.001 0.000 0.191 59 E C 2.231 178.740 176.600 -0.150 0.000 0.987 59 E CA 0.455 56.811 56.400 -0.074 0.000 0.799 59 E CB -0.178 29.526 29.700 0.005 0.000 0.752 59 E HN 0.205 nan 8.360 nan 0.000 0.449 60 L N 0.180 121.293 121.223 -0.183 0.000 2.017 60 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 60 L C 2.543 179.240 176.870 -0.288 0.000 1.073 60 L CA 1.572 56.276 54.840 -0.226 0.000 0.745 60 L CB -0.232 41.740 42.059 -0.145 0.000 0.894 60 L HN 0.292 nan 8.230 nan 0.000 0.432 61 M N -0.237 119.071 119.600 -0.486 0.000 2.159 61 M HA -0.111 4.368 4.480 -0.001 0.000 0.263 61 M C 2.185 178.322 176.300 -0.272 0.000 1.063 61 M CA 1.919 56.916 55.300 -0.504 0.000 1.110 61 M CB -0.612 31.373 32.600 -1.025 0.000 1.374 61 M HN 0.373 nan 8.290 nan 0.000 0.411 62 A N 0.036 122.717 122.820 -0.232 0.000 1.902 62 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 62 A C 2.251 179.777 177.584 -0.098 0.000 1.181 62 A CA 1.780 53.739 52.037 -0.130 0.000 0.623 62 A CB -0.595 18.352 19.000 -0.089 0.000 0.818 62 A HN 0.568 nan 8.150 nan 0.000 0.443 63 R N -0.751 119.678 120.500 -0.119 0.000 2.090 63 R HA -0.033 4.306 4.340 -0.001 0.000 0.228 63 R C 2.016 178.247 176.300 -0.114 0.000 1.110 63 R CA 1.312 57.350 56.100 -0.103 0.000 0.973 63 R CB -0.605 29.587 30.300 -0.180 0.000 0.869 63 R HN 0.400 nan 8.270 nan 0.000 0.440 64 V N 1.530 121.365 119.914 -0.133 0.000 2.358 64 V HA -0.213 3.907 4.120 -0.001 0.000 0.246 64 V C 2.104 178.151 176.094 -0.079 0.000 1.047 64 V CA 1.700 63.938 62.300 -0.103 0.000 1.035 64 V CB -0.417 31.371 31.823 -0.058 0.000 0.658 64 V HN 0.323 nan 8.190 nan 0.000 0.452 65 E N -0.057 120.108 120.200 -0.058 0.000 2.049 65 E HA -0.325 4.024 4.350 -0.001 0.000 0.198 65 E C 1.995 178.556 176.600 -0.065 0.000 1.007 65 E CA 1.914 58.288 56.400 -0.042 0.000 0.809 65 E CB -0.225 29.447 29.700 -0.047 0.000 0.749 65 E HN 0.684 nan 8.360 nan 0.000 0.450 66 D N -0.136 120.224 120.400 -0.067 0.000 2.104 66 D HA -0.170 4.470 4.640 -0.001 0.000 0.194 66 D C 1.850 178.070 176.300 -0.134 0.000 0.994 66 D CA 1.635 55.597 54.000 -0.063 0.000 0.830 66 D CB -0.047 40.741 40.800 -0.020 0.000 0.959 66 D HN 0.190 nan 8.370 nan 0.000 0.452 67 A N -0.009 122.687 122.820 -0.207 0.000 1.902 67 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 67 A C 2.400 179.698 177.584 -0.477 0.000 1.181 67 A CA 1.094 52.825 52.037 -0.510 0.000 0.623 67 A CB -0.866 17.858 19.000 -0.461 0.000 0.818 67 A HN 0.373 nan 8.150 nan 0.000 0.443 68 L N -0.993 120.078 121.223 -0.253 0.000 2.046 68 L HA -0.236 4.103 4.340 -0.001 0.000 0.208 68 L C 2.916 179.708 176.870 -0.130 0.000 1.077 68 L CA 1.746 56.485 54.840 -0.168 0.000 0.747 68 L CB -0.451 41.556 42.059 -0.086 0.000 0.896 68 L HN 0.557 nan 8.230 nan 0.000 0.432 69 Q N -0.349 119.385 119.800 -0.108 0.000 2.119 69 Q HA -0.228 4.111 4.340 -0.001 0.000 0.201 69 Q C 2.207 178.166 176.000 -0.068 0.000 0.972 69 Q CA 1.393 57.156 55.803 -0.067 0.000 0.847 69 Q CB 0.109 28.821 28.738 -0.043 0.000 0.903 69 Q HN 0.572 nan 8.270 nan 0.000 0.433 70 Q N -0.401 119.329 119.800 -0.116 0.000 2.020 70 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 70 Q C 2.095 178.077 176.000 -0.031 0.000 0.982 70 Q CA 1.978 57.743 55.803 -0.065 0.000 0.838 70 Q CB -0.031 28.665 28.738 -0.070 0.000 0.899 70 Q HN 0.435 nan 8.270 nan 0.000 0.423 71 V N -3.114 116.729 119.914 -0.117 0.000 3.461 71 V HA 0.263 4.382 4.120 -0.001 0.000 0.267 71 V C 1.125 177.213 176.094 -0.009 0.000 1.186 71 V CA 0.823 63.116 62.300 -0.011 0.000 1.154 71 V CB -0.643 31.170 31.823 -0.016 0.000 0.802 71 V HN 0.481 nan 8.190 nan 0.000 0.474 72 G N 0.423 109.204 108.800 -0.032 0.000 2.221 72 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.265 72 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.265 72 G C -0.075 174.815 174.900 -0.017 0.000 1.041 72 G CA 0.816 45.905 45.100 -0.017 0.000 0.807 72 G HN 0.433 nan 8.290 nan 0.000 0.502 73 M N -0.922 118.658 119.600 -0.034 0.000 2.494 73 M HA 0.431 4.910 4.480 -0.001 0.000 0.300 73 M C 1.316 177.598 176.300 -0.030 0.000 1.189 73 M CA -0.440 54.842 55.300 -0.031 0.000 0.982 73 M CB 0.908 33.484 32.600 -0.040 0.000 1.534 73 M HN 0.209 nan 8.290 nan 0.000 0.488 74 E N 0.228 120.415 120.200 -0.021 0.000 2.340 74 E HA 0.094 4.443 4.350 -0.001 0.000 0.198 74 E C 0.100 176.720 176.600 0.035 0.000 0.961 74 E CA 0.249 56.652 56.400 0.004 0.000 0.905 74 E CB 0.964 30.669 29.700 0.009 0.000 0.884 74 E HN 0.528 nan 8.360 nan 0.000 0.491 75 R N -0.819 119.671 120.500 -0.016 0.000 2.747 75 R HA 0.457 4.796 4.340 -0.001 0.000 0.272 75 R C -1.310 174.785 176.300 -0.342 0.000 1.032 75 R CA -0.781 55.298 56.100 -0.035 0.000 0.896 75 R CB 0.995 31.347 30.300 0.087 0.000 1.253 75 R HN -0.190 nan 8.270 nan 0.000 0.461 76 V N 1.869 121.226 119.914 -0.927 0.000 2.432 76 V HA 0.135 4.254 4.120 -0.001 0.000 0.275 76 V C 0.066 175.793 176.094 -0.612 0.000 1.043 76 V CA -0.090 61.695 62.300 -0.857 0.000 0.925 76 V CB 1.391 32.453 31.823 -1.268 0.000 0.985 76 V HN 0.788 nan 8.190 nan 0.000 0.466 77 D N 2.871 123.007 120.400 -0.440 0.000 2.338 77 D HA 0.094 4.734 4.640 -0.001 0.000 0.208 77 D C -0.504 175.319 176.300 -0.795 0.000 0.997 77 D CA 1.096 54.721 54.000 -0.625 0.000 0.880 77 D CB 0.629 40.954 40.800 -0.791 0.000 0.980 77 D HN 0.564 nan 8.370 nan 0.000 0.509 78 Y N -0.007 120.249 120.300 -0.074 0.000 2.433 78 Y HA 0.444 4.993 4.550 -0.001 0.000 0.337 78 Y C -0.276 175.616 175.900 -0.014 0.000 1.026 78 Y CA -0.791 57.314 58.100 0.009 0.000 1.037 78 Y CB 1.745 40.162 38.460 -0.071 0.000 1.245 78 Y HN -0.316 nan 8.280 nan 0.000 0.443 79 I N 4.980 125.674 120.570 0.206 0.000 2.330 79 I HA 0.345 4.514 4.170 -0.001 0.000 0.289 79 I C -0.922 175.306 176.117 0.184 0.000 1.001 79 I CA -0.511 60.870 61.300 0.135 0.000 1.193 79 I CB 0.742 38.803 38.000 0.102 0.000 1.345 79 I HN 0.412 nan 8.210 nan 0.000 0.461 80 I N 6.059 126.714 120.570 0.141 0.000 2.359 80 I HA 0.271 4.440 4.170 -0.001 0.000 0.294 80 I C -0.014 176.191 176.117 0.146 0.000 0.987 80 I CA -0.287 61.109 61.300 0.161 0.000 1.225 80 I CB 1.393 39.482 38.000 0.149 0.000 1.366 80 I HN 0.455 nan 8.210 nan 0.000 0.466 81 Q N 4.693 124.588 119.800 0.158 0.000 2.401 81 Q HA 0.397 4.736 4.340 -0.001 0.000 0.260 81 Q C 0.199 176.282 176.000 0.139 0.000 1.034 81 Q CA -0.122 55.784 55.803 0.172 0.000 0.737 81 Q CB 0.649 29.504 28.738 0.196 0.000 1.227 81 Q HN 0.439 nan 8.270 nan 0.000 0.488 82 N N 2.069 120.803 118.700 0.056 0.000 2.459 82 N HA -0.033 4.706 4.740 -0.001 0.000 0.181 82 N C -0.557 174.919 175.510 -0.056 0.000 1.046 82 N CA 0.780 53.783 53.050 -0.078 0.000 0.904 82 N CB 0.091 38.368 38.487 -0.350 0.000 0.964 82 N HN 0.727 nan 8.380 nan 0.000 0.444 83 H N -4.228 114.934 119.070 0.153 0.000 3.112 83 H HA 0.211 4.766 4.556 -0.001 0.000 0.347 83 H C 0.334 175.736 175.328 0.123 0.000 1.188 83 H CA -0.733 55.393 56.048 0.131 0.000 1.240 83 H CB 1.208 31.031 29.762 0.101 0.000 1.920 83 H HN -0.183 nan 8.280 nan 0.000 0.535 84 V N -1.065 118.973 119.914 0.206 0.000 3.608 84 V HA 0.066 4.185 4.120 -0.001 0.000 0.269 84 V C 0.712 176.746 176.094 -0.101 0.000 1.245 84 V CA 0.550 62.886 62.300 0.060 0.000 1.138 84 V CB -0.313 31.511 31.823 0.001 0.000 0.841 84 V HN 0.783 nan 8.190 nan 0.000 0.451 85 E N 2.004 122.189 120.200 -0.024 0.000 2.481 85 E HA -0.057 4.293 4.350 -0.001 0.000 0.263 85 E C 1.433 177.971 176.600 -0.104 0.000 0.992 85 E CA 0.417 56.779 56.400 -0.064 0.000 0.938 85 E CB 0.729 30.442 29.700 0.022 0.000 0.933 85 E HN 0.668 nan 8.360 nan 0.000 0.453 86 K N 3.562 123.902 120.400 -0.101 0.000 2.362 86 K HA -0.162 4.157 4.320 -0.001 0.000 0.200 86 K C 0.723 177.199 176.600 -0.207 0.000 1.046 86 K CA 1.453 57.672 56.287 -0.112 0.000 0.952 86 K CB 0.064 32.516 32.500 -0.079 0.000 0.753 86 K HN 0.518 nan 8.250 nan 0.000 0.466 87 D N 0.602 120.883 120.400 -0.199 0.000 2.350 87 D HA -0.192 4.447 4.640 -0.001 0.000 0.216 87 D C 0.973 176.825 176.300 -0.747 0.000 0.968 87 D CA 0.976 54.688 54.000 -0.480 0.000 0.894 87 D CB -0.247 40.340 40.800 -0.356 0.000 0.909 87 D HN 0.462 nan 8.370 nan 0.000 0.520 88 H N -0.768 118.245 119.070 -0.095 0.000 3.170 88 H HA 0.240 4.796 4.556 -0.001 0.000 0.264 88 H C 0.984 176.324 175.328 0.020 0.000 1.113 88 H CA 0.695 56.711 56.048 -0.054 0.000 1.194 88 H CB 0.862 30.508 29.762 -0.194 0.000 1.553 88 H HN 0.269 nan 8.280 nan 0.000 0.538 89 S N -0.850 114.877 115.700 0.044 0.000 2.733 89 S HA 0.154 4.623 4.470 -0.001 0.000 0.247 89 S C 1.928 176.472 174.600 -0.094 0.000 1.043 89 S CA 0.225 58.458 58.200 0.055 0.000 1.066 89 S CB 0.241 63.548 63.200 0.178 0.000 1.045 89 S HN 0.228 nan 8.310 nan 0.000 0.586 90 G N 1.917 110.637 108.800 -0.133 0.000 2.559 90 G HA2 0.062 4.022 3.960 -0.001 0.000 0.216 90 G HA3 0.062 4.022 3.960 -0.001 0.000 0.216 90 G C 1.033 175.785 174.900 -0.247 0.000 1.126 90 G CA 1.110 46.083 45.100 -0.212 0.000 0.778 90 G HN 1.133 nan 8.290 nan 0.000 0.543 91 V N -2.290 117.514 119.914 -0.183 0.000 3.159 91 V HA 0.409 4.529 4.120 -0.001 0.000 0.333 91 V C 1.758 177.749 176.094 -0.173 0.000 1.424 91 V CA -0.291 61.925 62.300 -0.140 0.000 1.125 91 V CB 0.271 32.152 31.823 0.096 0.000 1.075 91 V HN 0.064 nan 8.190 nan 0.000 0.482 92 L N 0.853 121.918 121.223 -0.264 0.000 2.042 92 L HA -0.034 4.306 4.340 -0.001 0.000 0.210 92 L C 2.369 179.111 176.870 -0.214 0.000 1.076 92 L CA 2.337 57.056 54.840 -0.202 0.000 0.749 92 L CB -0.505 41.417 42.059 -0.230 0.000 0.893 92 L HN 0.227 nan 8.230 nan 0.000 0.432 93 V N -0.171 119.524 119.914 -0.365 0.000 2.343 93 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 93 V C 2.483 178.437 176.094 -0.232 0.000 1.051 93 V CA 2.076 64.235 62.300 -0.235 0.000 1.036 93 V CB -0.606 31.065 31.823 -0.254 0.000 0.654 93 V HN 0.527 nan 8.190 nan 0.000 0.451 94 E N -0.251 119.712 120.200 -0.395 0.000 2.208 94 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 94 E C 2.199 178.442 176.600 -0.595 0.000 0.988 94 E CA 0.870 56.850 56.400 -0.700 0.000 0.828 94 E CB -0.119 28.803 29.700 -1.297 0.000 0.763 94 E HN 0.503 nan 8.360 nan 0.000 0.478 95 L N 0.169 121.263 121.223 -0.215 0.000 2.072 95 L HA -0.165 4.174 4.340 -0.001 0.000 0.205 95 L C 2.593 179.532 176.870 0.115 0.000 1.079 95 L CA 1.188 56.102 54.840 0.124 0.000 0.752 95 L CB -0.312 41.895 42.059 0.246 0.000 0.906 95 L HN 0.190 nan 8.230 nan 0.000 0.436 96 H N 0.150 119.188 119.070 -0.053 0.000 2.423 96 H HA -0.165 4.390 4.556 -0.001 0.000 0.297 96 H C 2.334 177.612 175.328 -0.083 0.000 1.075 96 H CA 1.595 57.613 56.048 -0.051 0.000 1.342 96 H CB 0.098 29.800 29.762 -0.100 0.000 1.395 96 H HN 0.113 nan 8.280 nan 0.000 0.530 97 R N -0.257 120.087 120.500 -0.261 0.000 2.066 97 R HA -0.110 4.229 4.340 -0.001 0.000 0.232 97 R C 2.291 178.408 176.300 -0.305 0.000 1.131 97 R CA 1.449 57.360 56.100 -0.314 0.000 0.955 97 R CB -0.088 30.049 30.300 -0.271 0.000 0.851 97 R HN 0.147 nan 8.270 nan 0.000 0.432 98 R N -0.221 120.091 120.500 -0.314 0.000 2.115 98 R HA -0.015 4.324 4.340 -0.001 0.000 0.226 98 R C -0.252 175.623 176.300 -0.707 0.000 1.100 98 R CA 1.245 57.049 56.100 -0.492 0.000 0.980 98 R CB 0.059 30.051 30.300 -0.513 0.000 0.875 98 R HN 0.205 nan 8.270 nan 0.000 0.445 99 F N 0.949 120.855 119.950 -0.075 0.000 2.531 99 F HA 0.395 4.921 4.527 -0.001 0.000 0.333 99 F C -1.650 174.077 175.800 -0.120 0.000 1.292 99 F CA -2.561 55.395 58.000 -0.074 0.000 1.184 99 F CB 1.889 40.867 39.000 -0.037 0.000 1.426 99 F HN -0.013 nan 8.300 nan 0.000 0.559 100 P HA -0.161 nan 4.420 nan 0.000 0.223 100 P C 0.797 178.071 177.300 -0.043 0.000 1.144 100 P CA 1.429 64.414 63.100 -0.192 0.000 0.783 100 P CB 0.510 32.100 31.700 -0.184 0.000 0.771 101 E N -0.519 119.691 120.200 0.016 0.000 2.452 101 E HA 0.162 4.511 4.350 -0.001 0.000 0.197 101 E C 0.926 177.528 176.600 0.005 0.000 1.022 101 E CA -0.082 56.324 56.400 0.010 0.000 0.890 101 E CB 0.010 29.706 29.700 -0.006 0.000 0.918 101 E HN 0.148 nan 8.360 nan 0.000 0.496 102 A N 3.682 126.521 122.820 0.031 0.000 2.444 102 A HA 0.315 4.634 4.320 -0.001 0.000 0.273 102 A C -2.287 175.334 177.584 0.062 0.000 1.136 102 A CA -1.102 50.933 52.037 -0.003 0.000 0.799 102 A CB -0.154 18.842 19.000 -0.007 0.000 1.081 102 A HN -0.143 nan 8.150 nan 0.000 0.509 103 P HA 0.229 nan 4.420 nan 0.000 0.272 103 P C -0.603 176.762 177.300 0.108 0.000 1.223 103 P CA 0.041 63.185 63.100 0.073 0.000 0.784 103 P CB 0.501 32.290 31.700 0.149 0.000 0.923 104 I N 2.625 123.135 120.570 -0.100 0.000 2.304 104 I HA 0.226 4.396 4.170 -0.001 0.000 0.291 104 I C -0.219 175.919 176.117 0.036 0.000 1.018 104 I CA -0.428 60.853 61.300 -0.033 0.000 1.260 104 I CB 0.200 38.043 38.000 -0.262 0.000 1.390 104 I HN 0.290 nan 8.210 nan 0.000 0.475 105 Y N 6.074 126.381 120.300 0.012 0.000 2.328 105 Y HA 0.526 5.075 4.550 -0.001 0.000 0.337 105 Y C 0.434 176.273 175.900 -0.102 0.000 1.008 105 Y CA -0.315 57.730 58.100 -0.092 0.000 1.129 105 Y CB 1.331 39.670 38.460 -0.201 0.000 1.185 105 Y HN 0.739 nan 8.280 nan 0.000 0.476 106 C N -0.693 118.605 119.300 -0.004 0.000 3.284 106 C HA 0.674 5.134 4.460 -0.001 0.000 0.348 106 C C 0.133 175.100 174.990 -0.038 0.000 1.448 106 C CA -0.979 58.047 59.018 0.013 0.000 1.223 106 C CB 0.798 28.607 27.740 0.116 0.000 1.588 106 C HN 0.860 nan 8.230 nan 0.000 0.451 107 T N -1.644 112.907 114.554 -0.006 0.000 2.813 107 T HA 0.250 4.600 4.350 -0.001 0.000 0.297 107 T C 0.794 175.472 174.700 -0.036 0.000 1.036 107 T CA 0.835 62.925 62.100 -0.016 0.000 1.044 107 T CB 0.702 69.578 68.868 0.012 0.000 0.993 107 T HN 0.989 nan 8.240 nan 0.000 0.535 108 E N 0.055 120.229 120.200 -0.044 0.000 2.058 108 E HA -0.141 4.208 4.350 -0.001 0.000 0.194 108 E C 2.026 178.582 176.600 -0.073 0.000 0.997 108 E CA 1.234 57.595 56.400 -0.066 0.000 0.801 108 E CB -0.254 29.416 29.700 -0.049 0.000 0.746 108 E HN 0.562 nan 8.360 nan 0.000 0.450 109 V N 1.260 121.149 119.914 -0.041 0.000 2.332 109 V HA -0.305 3.814 4.120 -0.001 0.000 0.248 109 V C 2.447 178.523 176.094 -0.031 0.000 1.055 109 V CA 1.883 64.165 62.300 -0.030 0.000 1.038 109 V CB -0.888 30.935 31.823 -0.001 0.000 0.651 109 V HN 0.452 nan 8.190 nan 0.000 0.450 110 A N -0.249 122.562 122.820 -0.015 0.000 1.972 110 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 110 A C 2.382 179.922 177.584 -0.073 0.000 1.169 110 A CA 1.871 53.911 52.037 0.004 0.000 0.635 110 A CB -0.606 18.428 19.000 0.057 0.000 0.810 110 A HN 0.361 nan 8.150 nan 0.000 0.446 111 V N 0.292 120.087 119.914 -0.198 0.000 2.287 111 V HA -0.309 3.810 4.120 -0.001 0.000 0.248 111 V C 2.519 178.397 176.094 -0.361 0.000 1.053 111 V CA 2.458 64.454 62.300 -0.507 0.000 1.027 111 V CB -0.705 30.707 31.823 -0.684 0.000 0.646 111 V HN 0.713 nan 8.190 nan 0.000 0.447 112 K N 0.301 120.576 120.400 -0.210 0.000 2.063 112 K HA -0.159 4.160 4.320 -0.001 0.000 0.208 112 K C 2.115 178.670 176.600 -0.075 0.000 1.048 112 K CA 1.755 57.961 56.287 -0.134 0.000 0.928 112 K CB -0.573 31.871 32.500 -0.093 0.000 0.713 112 K HN 0.501 nan 8.250 nan 0.000 0.442 113 G N 0.739 109.522 108.800 -0.029 0.000 2.403 113 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.216 113 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.216 113 G C 1.449 176.423 174.900 0.125 0.000 1.154 113 G CA 0.345 45.481 45.100 0.059 0.000 0.784 113 G HN 0.188 nan 8.290 nan 0.000 0.538 114 L N -0.046 121.213 121.223 0.059 0.000 2.056 114 L HA 0.040 4.379 4.340 -0.001 0.000 0.207 114 L C 2.848 179.789 176.870 0.117 0.000 1.078 114 L CA 0.576 55.502 54.840 0.142 0.000 0.749 114 L CB -0.299 41.920 42.059 0.267 0.000 0.901 114 L HN 0.172 nan 8.230 nan 0.000 0.433 115 L N -0.437 120.802 121.223 0.026 0.000 2.093 115 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 115 L C 2.591 179.446 176.870 -0.025 0.000 1.085 115 L CA 0.958 55.812 54.840 0.023 0.000 0.755 115 L CB -0.368 41.657 42.059 -0.056 0.000 0.904 115 L HN 0.175 nan 8.230 nan 0.000 0.435 116 K N -0.365 119.993 120.400 -0.069 0.000 2.097 116 K HA -0.152 4.168 4.320 -0.001 0.000 0.205 116 K C 1.962 178.408 176.600 -0.257 0.000 1.050 116 K CA 1.435 57.637 56.287 -0.143 0.000 0.938 116 K CB -0.085 32.317 32.500 -0.164 0.000 0.718 116 K HN 0.297 nan 8.250 nan 0.000 0.442 117 H N -2.079 116.758 119.070 -0.388 0.000 2.395 117 H HA 0.029 4.585 4.556 -0.001 0.000 0.299 117 H C -0.161 174.727 175.328 -0.732 0.000 1.070 117 H CA 1.472 57.079 56.048 -0.734 0.000 1.356 117 H CB 0.216 29.152 29.762 -1.376 0.000 1.401 117 H HN 0.073 nan 8.280 nan 0.000 0.524 118 Y N -1.231 119.145 120.300 0.127 0.000 2.662 118 Y HA 0.286 4.836 4.550 -0.001 0.000 0.358 118 Y C -2.078 173.858 175.900 0.059 0.000 1.041 118 Y CA -3.374 54.770 58.100 0.074 0.000 1.184 118 Y CB 0.825 39.330 38.460 0.074 0.000 1.114 118 Y HN 0.062 nan 8.280 nan 0.000 0.650 119 P HA -0.172 nan 4.420 nan 0.000 0.221 119 P C 1.675 179.032 177.300 0.095 0.000 1.145 119 P CA 1.847 64.994 63.100 0.078 0.000 0.795 119 P CB 0.289 32.009 31.700 0.032 0.000 0.775 120 S N -0.830 114.936 115.700 0.110 0.000 2.469 120 S HA -0.082 4.387 4.470 -0.001 0.000 0.238 120 S C 1.647 176.299 174.600 0.088 0.000 0.998 120 S CA 0.806 59.058 58.200 0.087 0.000 0.957 120 S CB -1.498 61.748 63.200 0.077 0.000 0.764 120 S HN 0.134 nan 8.310 nan 0.000 0.514 121 L N 0.514 121.806 121.223 0.116 0.000 2.610 121 L HA 0.250 4.589 4.340 -0.001 0.000 0.232 121 L C 2.600 179.556 176.870 0.144 0.000 1.149 121 L CA 0.070 54.946 54.840 0.059 0.000 0.872 121 L CB -0.332 41.816 42.059 0.150 0.000 0.992 121 L HN 0.230 nan 8.230 nan 0.000 0.447 122 R N 0.977 121.565 120.500 0.147 0.000 2.200 122 R HA -0.206 4.133 4.340 -0.001 0.000 0.234 122 R C 2.096 178.462 176.300 0.109 0.000 1.127 122 R CA 1.283 57.470 56.100 0.144 0.000 0.989 122 R CB -0.300 30.048 30.300 0.080 0.000 0.869 122 R HN 0.277 nan 8.270 nan 0.000 0.459 123 E N 0.108 120.347 120.200 0.064 0.000 2.274 123 E HA 0.009 4.359 4.350 -0.001 0.000 0.194 123 E C 0.098 176.698 176.600 -0.000 0.000 0.996 123 E CA 0.688 57.119 56.400 0.051 0.000 0.840 123 E CB -0.052 29.698 29.700 0.083 0.000 0.772 123 E HN 0.353 nan 8.360 nan 0.000 0.491 124 A N 1.097 123.803 122.820 -0.190 0.000 2.310 124 A HA 0.108 4.427 4.320 -0.001 0.000 0.260 124 A C 0.164 177.565 177.584 -0.306 0.000 1.112 124 A CA -0.109 51.644 52.037 -0.474 0.000 0.804 124 A CB 0.300 18.653 19.000 -1.078 0.000 1.081 124 A HN 0.240 nan 8.150 nan 0.000 0.499 125 E N -0.206 119.794 120.200 -0.334 0.000 2.151 125 E HA 0.514 4.863 4.350 -0.001 0.000 0.275 125 E C -1.807 174.570 176.600 -0.372 0.000 0.936 125 E CA -0.281 55.996 56.400 -0.205 0.000 0.777 125 E CB 0.578 30.226 29.700 -0.087 0.000 1.108 125 E HN 0.407 nan 8.360 nan 0.000 0.401 126 F N 3.637 123.526 119.950 -0.103 0.000 2.436 126 F HA 0.382 4.908 4.527 -0.001 0.000 0.340 126 F C 0.309 175.979 175.800 -0.217 0.000 1.113 126 F CA -0.932 56.984 58.000 -0.141 0.000 1.022 126 F CB 1.435 40.373 39.000 -0.104 0.000 1.128 126 F HN 0.287 nan 8.300 nan 0.000 0.466 127 M N 3.680 123.143 119.600 -0.228 0.000 2.103 127 M HA 0.197 4.676 4.480 -0.001 0.000 0.350 127 M C -0.110 175.988 176.300 -0.337 0.000 1.100 127 M CA -0.632 54.390 55.300 -0.463 0.000 1.042 127 M CB 0.709 32.551 32.600 -1.263 0.000 1.368 127 M HN 0.655 nan 8.290 nan 0.000 0.404 128 T N 1.123 115.583 114.554 -0.156 0.000 2.918 128 T HA 0.603 4.952 4.350 -0.001 0.000 0.302 128 T C 0.295 174.922 174.700 -0.122 0.000 1.045 128 T CA -0.709 61.324 62.100 -0.112 0.000 1.114 128 T CB 0.977 69.803 68.868 -0.070 0.000 0.965 128 T HN 0.503 nan 8.240 nan 0.000 0.540 129 V N -0.643 119.198 119.914 -0.122 0.000 2.876 129 V HA 0.782 4.901 4.120 -0.001 0.000 0.312 129 V C -0.641 175.447 176.094 -0.010 0.000 1.085 129 V CA -1.269 60.976 62.300 -0.091 0.000 0.945 129 V CB 1.728 33.364 31.823 -0.311 0.000 1.017 129 V HN 1.022 nan 8.190 nan 0.000 0.428 130 K N 0.732 121.165 120.400 0.056 0.000 2.306 130 K HA 0.605 4.924 4.320 -0.001 0.000 0.236 130 K C -0.322 176.352 176.600 0.123 0.000 1.013 130 K CA -0.886 55.441 56.287 0.068 0.000 0.857 130 K CB 1.973 34.500 32.500 0.045 0.000 1.214 130 K HN 0.808 nan 8.250 nan 0.000 0.449 131 T N 0.873 115.484 114.554 0.095 0.000 2.871 131 T HA 0.141 4.490 4.350 -0.001 0.000 0.296 131 T C 1.085 175.846 174.700 0.102 0.000 0.998 131 T CA 1.665 63.827 62.100 0.103 0.000 1.162 131 T CB 0.130 69.034 68.868 0.059 0.000 0.947 131 T HN 0.893 nan 8.240 nan 0.000 0.536 132 G N 3.698 112.569 108.800 0.118 0.000 2.232 132 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.226 132 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.226 132 G C -0.042 174.925 174.900 0.112 0.000 0.996 132 G CA -0.294 44.858 45.100 0.088 0.000 0.626 132 G HN 0.664 nan 8.290 nan 0.000 0.509 133 D N 0.399 120.911 120.400 0.185 0.000 2.419 133 D HA 0.480 5.119 4.640 -0.001 0.000 0.236 133 D C 0.448 176.916 176.300 0.279 0.000 1.165 133 D CA 0.433 54.580 54.000 0.246 0.000 0.882 133 D CB 1.735 42.716 40.800 0.301 0.000 1.201 133 D HN 0.260 nan 8.370 nan 0.000 0.443 134 V N 1.784 121.824 119.914 0.209 0.000 2.914 134 V HA 0.481 4.600 4.120 -0.001 0.000 0.314 134 V C -0.817 175.343 176.094 0.110 0.000 1.084 134 V CA -0.897 61.438 62.300 0.059 0.000 0.963 134 V CB 2.355 34.181 31.823 0.006 0.000 1.025 134 V HN 0.321 nan 8.190 nan 0.000 0.432 135 L N 2.966 124.153 121.223 -0.059 0.000 2.406 135 L HA 0.609 4.948 4.340 -0.001 0.000 0.270 135 L C -0.825 175.924 176.870 -0.201 0.000 0.982 135 L CA -0.046 54.700 54.840 -0.157 0.000 0.843 135 L CB 1.594 43.449 42.059 -0.340 0.000 1.225 135 L HN 0.638 nan 8.230 nan 0.000 0.412 136 D N 4.298 124.614 120.400 -0.140 0.000 2.312 136 D HA 0.247 4.886 4.640 -0.001 0.000 0.252 136 D C 0.579 176.824 176.300 -0.091 0.000 1.150 136 D CA 0.025 53.970 54.000 -0.092 0.000 0.870 136 D CB 1.346 42.125 40.800 -0.034 0.000 1.153 136 D HN 0.709 nan 8.370 nan 0.000 0.457 137 L N 2.367 123.557 121.223 -0.055 0.000 2.640 137 L HA 0.293 4.633 4.340 -0.001 0.000 0.230 137 L C 1.006 177.898 176.870 0.037 0.000 1.123 137 L CA -0.047 54.799 54.840 0.011 0.000 0.900 137 L CB 0.084 42.146 42.059 0.005 0.000 1.146 137 L HN 0.648 nan 8.230 nan 0.000 0.484 138 G N 0.160 108.972 108.800 0.020 0.000 2.929 138 G HA2 0.070 4.029 3.960 -0.001 0.000 0.335 138 G HA3 0.070 4.029 3.960 -0.001 0.000 0.335 138 G C 0.724 175.634 174.900 0.016 0.000 1.054 138 G CA -0.089 45.025 45.100 0.023 0.000 1.067 138 G HN 0.512 nan 8.290 nan 0.000 0.472 139 G N 0.581 109.386 108.800 0.007 0.000 2.184 139 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.264 139 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.264 139 G C 0.364 175.264 174.900 0.000 0.000 0.975 139 G CA 1.415 46.518 45.100 0.005 0.000 0.642 139 G HN 1.297 nan 8.290 nan 0.000 0.536 140 K N 0.144 120.542 120.400 -0.003 0.000 2.427 140 K HA 0.608 4.927 4.320 -0.001 0.000 0.252 140 K C -1.162 175.415 176.600 -0.038 0.000 0.931 140 K CA -0.529 55.751 56.287 -0.012 0.000 0.793 140 K CB 2.142 34.645 32.500 0.004 0.000 1.211 140 K HN 0.057 nan 8.250 nan 0.000 0.426 141 T N 2.895 117.417 114.554 -0.054 0.000 2.840 141 T HA 0.372 4.721 4.350 -0.001 0.000 0.287 141 T C -0.383 174.237 174.700 -0.133 0.000 0.991 141 T CA -0.680 61.366 62.100 -0.090 0.000 0.964 141 T CB 0.673 69.499 68.868 -0.070 0.000 0.954 141 T HN 0.273 nan 8.240 nan 0.000 0.438 142 L N 3.165 124.256 121.223 -0.220 0.000 2.292 142 L HA 0.512 4.851 4.340 -0.001 0.000 0.284 142 L C 0.434 176.972 176.870 -0.553 0.000 1.065 142 L CA -0.491 54.124 54.840 -0.375 0.000 0.806 142 L CB 1.011 42.782 42.059 -0.480 0.000 1.175 142 L HN 0.569 nan 8.230 nan 0.000 0.431 143 T N 2.544 116.788 114.554 -0.517 0.000 2.829 143 T HA 0.567 4.916 4.350 -0.001 0.000 0.280 143 T C -0.545 173.836 174.700 -0.532 0.000 0.999 143 T CA -0.365 61.482 62.100 -0.422 0.000 0.983 143 T CB 0.947 69.727 68.868 -0.146 0.000 0.968 143 T HN 0.060 nan 8.240 nan 0.000 0.446 144 F N 2.385 122.378 119.950 0.071 0.000 2.422 144 F HA 0.681 5.207 4.527 -0.001 0.000 0.333 144 F C -0.085 175.769 175.800 0.090 0.000 1.095 144 F CA -1.331 56.726 58.000 0.095 0.000 1.038 144 F CB 1.130 40.186 39.000 0.093 0.000 1.156 144 F HN 0.237 nan 8.300 nan 0.000 0.483 145 L N 2.977 124.366 121.223 0.277 0.000 2.406 145 L HA 0.445 4.784 4.340 -0.001 0.000 0.270 145 L C -0.598 176.306 176.870 0.057 0.000 0.982 145 L CA -0.579 54.350 54.840 0.148 0.000 0.843 145 L CB 1.249 43.394 42.059 0.144 0.000 1.225 145 L HN 0.588 nan 8.230 nan 0.000 0.412 146 E N 2.378 122.596 120.200 0.031 0.000 2.414 146 E HA 0.300 4.649 4.350 -0.001 0.000 0.263 146 E C -0.132 176.383 176.600 -0.141 0.000 1.000 146 E CA 0.520 56.905 56.400 -0.024 0.000 0.914 146 E CB 0.514 30.212 29.700 -0.004 0.000 0.948 146 E HN 0.640 nan 8.360 nan 0.000 0.444 147 T N -0.145 114.305 114.554 -0.174 0.000 3.732 147 T HA 0.214 4.563 4.350 -0.001 0.000 0.234 147 T C -2.220 172.406 174.700 -0.125 0.000 1.146 147 T CA -1.559 60.372 62.100 -0.281 0.000 1.454 147 T CB 0.619 69.110 68.868 -0.629 0.000 0.910 147 T HN 0.164 nan 8.240 nan 0.000 0.640 148 P HA -0.043 nan 4.420 nan 0.000 0.215 148 P C 1.057 178.312 177.300 -0.075 0.000 1.153 148 P CA 0.723 63.810 63.100 -0.022 0.000 0.853 148 P CB -0.108 31.571 31.700 -0.037 0.000 0.788 149 L N -2.259 118.859 121.223 -0.175 0.000 3.781 149 L HA -0.282 4.057 4.340 -0.001 0.000 0.426 149 L C 1.366 178.098 176.870 -0.230 0.000 1.197 149 L CA 0.444 55.118 54.840 -0.278 0.000 0.907 149 L CB -2.029 39.718 42.059 -0.520 0.000 1.812 149 L HN 0.013 nan 8.230 nan 0.000 0.956 150 L N -1.340 119.783 121.223 -0.167 0.000 3.604 150 L HA -0.434 3.905 4.340 -0.001 0.000 0.053 150 L C 1.715 178.473 176.870 -0.187 0.000 4.343 150 L CA 2.807 57.513 54.840 -0.224 0.000 0.628 150 L CB -1.049 40.824 42.059 -0.308 0.000 3.503 150 L HN 0.466 nan 8.230 nan 0.000 0.843 151 H N -1.855 117.201 119.070 -0.024 0.000 2.551 151 H HA 0.054 4.610 4.556 -0.001 0.000 0.266 151 H C -0.138 175.423 175.328 0.390 0.000 0.977 151 H CA 1.152 57.274 56.048 0.125 0.000 1.163 151 H CB -0.046 29.782 29.762 0.111 0.000 1.381 151 H HN 0.470 nan 8.280 nan 0.000 0.581 152 W N 1.127 122.469 121.300 0.070 0.000 1.986 152 W HA 0.323 4.982 4.660 -0.002 0.000 0.287 152 W C -2.111 174.433 176.519 0.041 0.000 0.866 152 W CA -3.197 54.191 57.345 0.071 0.000 2.056 152 W CB 0.283 29.795 29.460 0.088 0.000 2.290 152 W HN 0.023 nan 8.180 nan 0.000 0.396 153 P HA -0.204 nan 4.420 nan 0.000 0.217 153 P C 1.365 178.728 177.300 0.104 0.000 1.148 153 P CA 2.112 65.279 63.100 0.112 0.000 0.828 153 P CB 0.280 32.018 31.700 0.064 0.000 0.783 154 D N -2.008 118.471 120.400 0.132 0.000 2.347 154 D HA 0.006 4.645 4.640 -0.001 0.000 0.213 154 D C 0.220 176.604 176.300 0.140 0.000 0.985 154 D CA 0.265 54.331 54.000 0.110 0.000 0.879 154 D CB -0.345 40.520 40.800 0.108 0.000 0.919 154 D HN 0.057 nan 8.370 nan 0.000 0.526 155 S N 0.704 116.529 115.700 0.208 0.000 2.572 155 S HA 0.366 4.836 4.470 -0.001 0.000 0.279 155 S C 0.456 175.137 174.600 0.136 0.000 1.341 155 S CA -0.226 58.124 58.200 0.250 0.000 1.043 155 S CB 0.723 64.209 63.200 0.476 0.000 0.887 155 S HN 0.375 nan 8.310 nan 0.000 0.516 156 M N 0.686 120.367 119.600 0.135 0.000 2.664 156 M HA 0.714 5.194 4.480 -0.001 0.000 0.279 156 M C -1.853 174.614 176.300 0.277 0.000 1.275 156 M CA -0.902 54.460 55.300 0.104 0.000 0.829 156 M CB 1.225 33.916 32.600 0.151 0.000 1.727 156 M HN 0.277 nan 8.290 nan 0.000 0.459 157 F N 0.321 120.377 119.950 0.177 0.000 2.470 157 F HA 0.723 5.249 4.527 -0.001 0.000 0.329 157 F C 0.081 176.014 175.800 0.221 0.000 1.072 157 F CA -0.979 57.131 58.000 0.184 0.000 0.989 157 F CB 2.114 41.216 39.000 0.170 0.000 1.193 157 F HN 0.588 nan 8.300 nan 0.000 0.481 158 T N 3.552 118.362 114.554 0.426 0.000 2.855 158 T HA 0.662 5.012 4.350 -0.001 0.000 0.281 158 T C -1.283 173.568 174.700 0.252 0.000 1.007 158 T CA -0.499 61.758 62.100 0.260 0.000 1.009 158 T CB 1.749 70.755 68.868 0.230 0.000 0.983 158 T HN 0.433 nan 8.240 nan 0.000 0.455 159 L N 3.227 124.484 121.223 0.057 0.000 2.410 159 L HA 0.625 4.964 4.340 -0.001 0.000 0.270 159 L C -1.562 175.295 176.870 -0.021 0.000 0.983 159 L CA -0.919 53.932 54.840 0.019 0.000 0.822 159 L CB 1.592 43.648 42.059 -0.005 0.000 1.285 159 L HN 0.435 nan 8.230 nan 0.000 0.409 160 L N 4.238 125.456 121.223 -0.008 0.000 2.328 160 L HA 0.266 4.605 4.340 -0.001 0.000 0.280 160 L C 0.857 177.684 176.870 -0.072 0.000 1.111 160 L CA 0.380 55.205 54.840 -0.024 0.000 0.909 160 L CB 0.221 42.292 42.059 0.020 0.000 1.277 160 L HN 0.822 nan 8.230 nan 0.000 0.433 161 D N 1.196 121.555 120.400 -0.069 0.000 2.084 161 D HA -0.189 4.450 4.640 -0.001 0.000 0.194 161 D C 1.614 177.877 176.300 -0.061 0.000 0.990 161 D CA 1.379 55.340 54.000 -0.064 0.000 0.826 161 D CB 0.521 41.289 40.800 -0.053 0.000 0.971 161 D HN 0.531 nan 8.370 nan 0.000 0.453 162 E N -0.076 120.093 120.200 -0.052 0.000 2.097 162 E HA -0.184 4.166 4.350 -0.001 0.000 0.196 162 E C 1.196 177.765 176.600 -0.052 0.000 1.000 162 E CA 1.367 57.740 56.400 -0.045 0.000 0.804 162 E CB -0.115 29.564 29.700 -0.036 0.000 0.740 162 E HN 0.462 nan 8.360 nan 0.000 0.454 163 D N -1.444 118.920 120.400 -0.060 0.000 2.350 163 D HA 0.083 4.722 4.640 -0.001 0.000 0.213 163 D C 0.996 177.236 176.300 -0.101 0.000 1.031 163 D CA 0.817 54.774 54.000 -0.071 0.000 0.861 163 D CB 0.390 41.151 40.800 -0.065 0.000 0.926 163 D HN 0.277 nan 8.370 nan 0.000 0.520 164 G N 1.243 109.977 108.800 -0.110 0.000 2.221 164 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.265 164 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.265 164 G C 0.129 174.912 174.900 -0.196 0.000 1.041 164 G CA -0.130 44.888 45.100 -0.137 0.000 0.807 164 G HN 0.367 nan 8.290 nan 0.000 0.502 165 I N 0.027 120.454 120.570 -0.238 0.000 2.321 165 I HA 0.490 4.660 4.170 -0.001 0.000 0.291 165 I C 0.059 175.865 176.117 -0.518 0.000 0.998 165 I CA -0.996 60.059 61.300 -0.408 0.000 1.227 165 I CB 1.546 39.257 38.000 -0.482 0.000 1.368 165 I HN 0.089 nan 8.210 nan 0.000 0.466 166 L N 7.750 128.636 121.223 -0.561 0.000 2.305 166 L HA 0.512 4.851 4.340 -0.001 0.000 0.284 166 L C -1.214 175.270 176.870 -0.644 0.000 1.013 166 L CA 0.062 54.621 54.840 -0.467 0.000 0.819 166 L CB 0.874 42.724 42.059 -0.349 0.000 1.227 166 L HN 0.230 nan 8.230 nan 0.000 0.417 167 F N 3.672 123.514 119.950 -0.181 0.000 2.335 167 F HA 0.289 4.815 4.527 -0.001 0.000 0.365 167 F C 1.252 176.976 175.800 -0.126 0.000 1.122 167 F CA -0.219 57.684 58.000 -0.161 0.000 1.151 167 F CB 0.914 39.855 39.000 -0.098 0.000 1.282 167 F HN 0.644 nan 8.300 nan 0.000 0.513 168 S N 1.642 117.305 115.700 -0.061 0.000 2.582 168 S HA 0.169 4.639 4.470 -0.001 0.000 0.234 168 S C 0.624 175.298 174.600 0.125 0.000 0.961 168 S CA -0.040 57.928 58.200 -0.387 0.000 0.953 168 S CB -1.138 61.873 63.200 -0.314 0.000 0.800 168 S HN 0.847 nan 8.310 nan 0.000 0.471 169 N N 2.304 121.129 118.700 0.207 0.000 1.175 169 N HA -0.336 4.403 4.740 -0.001 0.000 0.114 169 N C -0.091 175.664 175.510 0.409 0.000 0.804 169 N CA 1.797 54.995 53.050 0.247 0.000 0.858 169 N CB -1.649 36.796 38.487 -0.070 0.000 1.032 169 N HN 0.107 nan 8.380 nan 0.000 0.617 170 D N 0.144 120.848 120.400 0.506 0.000 2.224 170 D HA 0.101 4.741 4.640 -0.001 0.000 0.205 170 D C 0.720 177.342 176.300 0.537 0.000 0.965 170 D CA 1.362 55.684 54.000 0.535 0.000 0.852 170 D CB -0.776 40.326 40.800 0.503 0.000 0.947 170 D HN 0.806 nan 8.370 nan 0.000 0.494 171 A N 0.121 123.281 122.820 0.566 0.000 2.546 171 A HA 0.121 4.440 4.320 -0.001 0.000 0.243 171 A C 0.048 177.524 177.584 -0.180 0.000 1.063 171 A CA -0.061 52.053 52.037 0.128 0.000 0.757 171 A CB -0.515 18.409 19.000 -0.127 0.000 0.991 171 A HN 0.251 nan 8.150 nan 0.000 0.503 172 F N -0.604 119.388 119.950 0.071 0.000 2.840 172 F HA -0.215 4.311 4.527 -0.001 0.000 0.310 172 F C 1.262 177.157 175.800 0.159 0.000 0.688 172 F CA 0.687 58.641 58.000 -0.076 0.000 1.286 172 F CB -1.917 36.894 39.000 -0.316 0.000 1.612 172 F HN 0.905 nan 8.300 nan 0.000 0.335 173 G N -0.285 108.422 108.800 -0.156 0.000 2.599 173 G HA2 0.560 4.519 3.960 -0.001 0.000 0.264 173 G HA3 0.560 4.519 3.960 -0.001 0.000 0.264 173 G C -0.374 174.062 174.900 -0.774 0.000 1.200 173 G CA -0.213 44.584 45.100 -0.505 0.000 0.896 173 G HN 0.234 nan 8.290 nan 0.000 0.536 174 Q N -0.872 118.692 119.800 -0.392 0.000 2.377 174 Q HA 0.323 4.662 4.340 -0.001 0.000 0.279 174 Q C -1.222 174.763 176.000 -0.026 0.000 1.049 174 Q CA -0.820 54.913 55.803 -0.118 0.000 0.825 174 Q CB 1.598 30.404 28.738 0.113 0.000 1.401 174 Q HN 0.562 nan 8.270 nan 0.000 0.404 175 H N 1.965 121.198 119.070 0.273 0.000 3.008 175 H HA 0.449 5.004 4.556 -0.001 0.000 0.268 175 H C -0.803 174.591 175.328 0.110 0.000 1.323 175 H CA 0.106 56.239 56.048 0.141 0.000 1.401 175 H CB -0.087 29.736 29.762 0.102 0.000 1.556 175 H HN 0.404 nan 8.280 nan 0.000 0.502 176 L N 1.916 123.219 121.223 0.133 0.000 2.445 176 L HA 0.273 4.612 4.340 -0.001 0.000 0.262 176 L C -0.584 176.256 176.870 -0.050 0.000 0.974 176 L CA -0.679 54.193 54.840 0.053 0.000 0.822 176 L CB 2.909 44.978 42.059 0.018 0.000 1.339 176 L HN 0.487 nan 8.230 nan 0.000 0.409 177 C N 3.221 122.465 119.300 -0.094 0.000 2.335 177 C HA 0.747 5.206 4.460 -0.001 0.000 0.318 177 C C -0.172 174.651 174.990 -0.278 0.000 1.150 177 C CA -0.539 58.304 59.018 -0.291 0.000 1.466 177 C CB -0.940 26.567 27.740 -0.388 0.000 2.024 177 C HN 0.865 nan 8.230 nan 0.000 0.429 178 C N 6.706 125.845 119.300 -0.268 0.000 2.667 178 C HA 0.594 5.053 4.460 -0.001 0.000 0.323 178 C C -0.932 173.952 174.990 -0.177 0.000 1.214 178 C CA -0.846 58.102 59.018 -0.117 0.000 1.721 178 C CB 2.004 29.694 27.740 -0.084 0.000 2.275 178 C HN 0.681 nan 8.230 nan 0.000 0.491 179 P HA -0.063 nan 4.420 nan 0.000 0.223 179 P C -0.106 177.115 177.300 -0.131 0.000 1.151 179 P CA 1.173 64.270 63.100 -0.006 0.000 0.787 179 P CB 0.208 31.982 31.700 0.123 0.000 0.788 180 Q N -0.212 119.512 119.800 -0.126 0.000 2.288 180 Q HA 0.210 4.550 4.340 -0.001 0.000 0.254 180 Q C 1.323 177.164 176.000 -0.265 0.000 0.932 180 Q CA 0.092 55.798 55.803 -0.162 0.000 0.902 180 Q CB 0.692 29.365 28.738 -0.109 0.000 1.203 180 Q HN -0.025 nan 8.270 nan 0.000 0.415 181 R N 1.406 121.719 120.500 -0.311 0.000 2.280 181 R HA 0.236 4.575 4.340 -0.001 0.000 0.195 181 R C -0.121 176.000 176.300 -0.299 0.000 0.935 181 R CA 0.262 56.109 56.100 -0.422 0.000 1.033 181 R CB 0.221 30.207 30.300 -0.523 0.000 0.964 181 R HN 0.515 nan 8.270 nan 0.000 0.489 182 L N 1.873 122.957 121.223 -0.233 0.000 2.334 182 L HA 0.154 4.493 4.340 -0.001 0.000 0.276 182 L C 1.226 177.951 176.870 -0.242 0.000 1.014 182 L CA -0.773 53.942 54.840 -0.209 0.000 0.815 182 L CB 1.663 43.637 42.059 -0.142 0.000 1.268 182 L HN -0.019 nan 8.230 nan 0.000 0.428 183 D N 2.266 122.471 120.400 -0.326 0.000 2.154 183 D HA -0.297 4.343 4.640 -0.001 0.000 0.190 183 D C 1.448 177.640 176.300 -0.180 0.000 1.003 183 D CA 1.878 55.655 54.000 -0.373 0.000 0.849 183 D CB -0.188 40.332 40.800 -0.466 0.000 0.942 183 D HN 0.677 nan 8.370 nan 0.000 0.446 184 R N 0.266 120.699 120.500 -0.112 0.000 2.328 184 R HA 0.172 4.511 4.340 -0.001 0.000 0.200 184 R C 1.103 177.371 176.300 -0.054 0.000 0.983 184 R CA 0.426 56.493 56.100 -0.056 0.000 1.062 184 R CB -0.339 29.942 30.300 -0.033 0.000 0.956 184 R HN 0.228 nan 8.270 nan 0.000 0.479 185 E N 1.210 121.363 120.200 -0.079 0.000 2.481 185 E HA 0.177 4.526 4.350 -0.001 0.000 0.198 185 E C 0.493 177.063 176.600 -0.050 0.000 1.027 185 E CA -0.111 56.251 56.400 -0.063 0.000 0.900 185 E CB 0.439 30.091 29.700 -0.081 0.000 0.993 185 E HN 0.491 nan 8.360 nan 0.000 0.482 186 I N -2.797 117.741 120.570 -0.052 0.000 3.067 186 I HA 0.584 4.753 4.170 -0.001 0.000 0.312 186 I C -2.750 173.371 176.117 0.007 0.000 1.073 186 I CA -3.196 58.089 61.300 -0.024 0.000 1.016 186 I CB 1.402 39.378 38.000 -0.040 0.000 1.227 186 I HN -0.343 nan 8.210 nan 0.000 0.456 187 P HA 0.073 nan 4.420 nan 0.000 0.268 187 P C 0.381 177.738 177.300 0.096 0.000 1.204 187 P CA -0.048 63.099 63.100 0.078 0.000 0.768 187 P CB 0.639 32.405 31.700 0.111 0.000 0.842 188 E N 2.408 122.670 120.200 0.103 0.000 2.130 188 E HA -0.251 4.099 4.350 -0.001 0.000 0.196 188 E C 1.325 178.010 176.600 0.141 0.000 0.998 188 E CA 1.610 58.078 56.400 0.113 0.000 0.806 188 E CB -0.250 29.517 29.700 0.112 0.000 0.738 188 E HN 0.563 nan 8.360 nan 0.000 0.459 189 Y N 0.878 121.232 120.300 0.090 0.000 2.145 189 Y HA -0.193 4.356 4.550 -0.001 0.000 0.286 189 Y C 2.286 178.260 175.900 0.124 0.000 1.145 189 Y CA 1.977 60.142 58.100 0.108 0.000 1.148 189 Y CB -0.310 38.201 38.460 0.086 0.000 0.981 189 Y HN -0.024 nan 8.280 nan 0.000 0.507 190 I N -0.618 120.083 120.570 0.217 0.000 2.226 190 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 190 I C 2.308 178.462 176.117 0.062 0.000 1.100 190 I CA 1.218 62.609 61.300 0.151 0.000 1.374 190 I CB -0.467 37.634 38.000 0.169 0.000 1.057 190 I HN 0.326 nan 8.210 nan 0.000 0.413 191 L N 0.170 121.427 121.223 0.056 0.000 1.989 191 L HA -0.221 4.118 4.340 -0.001 0.000 0.211 191 L C 2.343 179.312 176.870 0.164 0.000 1.071 191 L CA 2.051 56.921 54.840 0.049 0.000 0.749 191 L CB -0.431 41.620 42.059 -0.012 0.000 0.890 191 L HN 0.132 nan 8.230 nan 0.000 0.431 192 M N -1.106 118.589 119.600 0.157 0.000 2.288 192 M HA -0.106 4.374 4.480 -0.001 0.000 0.266 192 M C 1.971 178.387 176.300 0.192 0.000 1.072 192 M CA 1.281 56.742 55.300 0.268 0.000 1.132 192 M CB -1.353 31.372 32.600 0.209 0.000 1.386 192 M HN 0.327 nan 8.290 nan 0.000 0.432 193 D N 0.436 120.793 120.400 -0.071 0.000 2.178 193 D HA -0.015 4.624 4.640 -0.001 0.000 0.202 193 D C 1.888 178.246 176.300 0.096 0.000 0.974 193 D CA 1.377 55.322 54.000 -0.091 0.000 0.841 193 D CB 0.284 40.863 40.800 -0.368 0.000 0.953 193 D HN 0.265 nan 8.370 nan 0.000 0.478 194 A N 0.241 123.151 122.820 0.151 0.000 1.929 194 A HA 0.152 4.471 4.320 -0.001 0.000 0.216 194 A C 2.294 180.086 177.584 0.347 0.000 1.176 194 A CA 1.652 53.840 52.037 0.251 0.000 0.628 194 A CB -0.788 18.347 19.000 0.225 0.000 0.816 194 A HN 0.260 nan 8.150 nan 0.000 0.444 195 A N -0.124 122.928 122.820 0.387 0.000 1.933 195 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 195 A C 2.240 180.058 177.584 0.390 0.000 1.175 195 A CA 1.667 54.030 52.037 0.543 0.000 0.628 195 A CB -0.489 19.000 19.000 0.814 0.000 0.814 195 A HN 0.550 nan 8.150 nan 0.000 0.444 196 R N -0.125 120.492 120.500 0.196 0.000 2.073 196 R HA -0.158 4.181 4.340 -0.001 0.000 0.234 196 R C 2.266 178.473 176.300 -0.154 0.000 1.134 196 R CA 1.941 57.822 56.100 -0.364 0.000 0.952 196 R CB -0.291 29.990 30.300 -0.032 0.000 0.850 196 R HN 0.505 nan 8.270 nan 0.000 0.433 197 K N -0.573 119.887 120.400 0.100 0.000 2.147 197 K HA -0.183 4.136 4.320 -0.001 0.000 0.205 197 K C 1.885 178.698 176.600 0.356 0.000 1.049 197 K CA 1.495 57.876 56.287 0.157 0.000 0.936 197 K CB -0.184 32.418 32.500 0.169 0.000 0.722 197 K HN 0.176 nan 8.250 nan 0.000 0.446 198 F N 0.037 120.167 119.950 0.300 0.000 2.128 198 F HA -0.194 4.333 4.527 -0.001 0.000 0.295 198 F C 2.100 178.007 175.800 0.178 0.000 1.100 198 F CA 1.325 59.526 58.000 0.336 0.000 1.260 198 F CB -0.335 38.828 39.000 0.271 0.000 1.009 198 F HN 0.057 nan 8.300 nan 0.000 0.476 199 Y N 0.615 121.028 120.300 0.187 0.000 2.081 199 Y HA -0.322 4.227 4.550 -0.001 0.000 0.280 199 Y C 2.441 178.225 175.900 -0.193 0.000 1.163 199 Y CA 2.056 60.067 58.100 -0.150 0.000 1.135 199 Y CB -0.820 37.226 38.460 -0.690 0.000 0.970 199 Y HN 0.101 nan 8.280 nan 0.000 0.498 200 A N 0.201 123.039 122.820 0.030 0.000 1.940 200 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 200 A C 2.026 179.573 177.584 -0.060 0.000 1.176 200 A CA 2.037 54.096 52.037 0.037 0.000 0.631 200 A CB -0.713 18.343 19.000 0.093 0.000 0.814 200 A HN 0.660 nan 8.150 nan 0.000 0.446 201 N N -1.046 117.669 118.700 0.025 0.000 2.395 201 N HA 0.111 4.851 4.740 -0.001 0.000 0.175 201 N C 1.287 176.764 175.510 -0.056 0.000 1.029 201 N CA 0.991 54.077 53.050 0.060 0.000 0.897 201 N CB 0.178 38.881 38.487 0.360 0.000 0.991 201 N HN 0.453 nan 8.380 nan 0.000 0.441 202 L N -0.355 120.785 121.223 -0.137 0.000 2.717 202 L HA 0.245 4.584 4.340 -0.001 0.000 0.239 202 L C 1.227 178.031 176.870 -0.110 0.000 1.086 202 L CA 0.106 54.869 54.840 -0.129 0.000 0.897 202 L CB 0.533 42.406 42.059 -0.310 0.000 1.214 202 L HN -0.031 nan 8.230 nan 0.000 0.508 203 I N -1.325 119.008 120.570 -0.394 0.000 4.032 203 I HA 0.042 4.211 4.170 -0.001 0.000 0.313 203 I C 2.223 177.884 176.117 -0.759 0.000 1.272 203 I CA 0.628 61.516 61.300 -0.687 0.000 1.307 203 I CB -0.907 36.329 38.000 -1.274 0.000 1.155 203 I HN 0.031 nan 8.210 nan 0.000 0.431 204 T N 3.831 117.990 114.554 -0.658 0.000 2.620 204 T HA -0.113 4.237 4.350 -0.001 0.000 0.267 204 T C -0.575 173.902 174.700 -0.371 0.000 1.044 204 T CA 2.076 63.916 62.100 -0.434 0.000 1.161 204 T CB -1.485 66.963 68.868 -0.700 0.000 0.862 204 T HN 0.261 nan 8.240 nan 0.000 0.438 205 P HA 0.138 nan 4.420 nan 0.000 0.242 205 P C 0.800 177.988 177.300 -0.188 0.000 1.197 205 P CA 0.681 63.614 63.100 -0.278 0.000 0.765 205 P CB -0.362 31.153 31.700 -0.308 0.000 0.936 206 L N -1.531 119.541 121.223 -0.252 0.000 2.628 206 L HA 0.185 4.525 4.340 -0.001 0.000 0.229 206 L C 2.106 178.846 176.870 -0.216 0.000 1.137 206 L CA 0.029 54.716 54.840 -0.255 0.000 0.909 206 L CB -0.664 41.134 42.059 -0.435 0.000 1.137 206 L HN -0.131 nan 8.230 nan 0.000 0.470 207 S N 0.849 116.462 115.700 -0.146 0.000 2.365 207 S HA -0.203 4.267 4.470 -0.001 0.000 0.225 207 S C 1.988 176.560 174.600 -0.046 0.000 1.039 207 S CA 1.606 59.791 58.200 -0.026 0.000 1.033 207 S CB -0.072 63.162 63.200 0.057 0.000 0.887 207 S HN 0.450 nan 8.310 nan 0.000 0.447 208 K N 0.642 121.004 120.400 -0.063 0.000 2.148 208 K HA 0.030 4.349 4.320 -0.001 0.000 0.204 208 K C 1.937 178.484 176.600 -0.088 0.000 1.050 208 K CA 0.909 57.163 56.287 -0.056 0.000 0.942 208 K CB -0.307 32.165 32.500 -0.047 0.000 0.724 208 K HN 0.324 nan 8.250 nan 0.000 0.446 209 L N 0.381 121.526 121.223 -0.130 0.000 2.156 209 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 209 L C 2.258 179.002 176.870 -0.211 0.000 1.095 209 L CA 0.475 55.217 54.840 -0.164 0.000 0.770 209 L CB -0.458 41.481 42.059 -0.200 0.000 0.914 209 L HN -0.077 nan 8.230 nan 0.000 0.439 210 V N 0.409 120.174 119.914 -0.249 0.000 2.255 210 V HA -0.301 3.818 4.120 -0.001 0.000 0.247 210 V C 2.430 178.236 176.094 -0.479 0.000 1.051 210 V CA 1.880 63.953 62.300 -0.379 0.000 1.018 210 V CB -0.434 31.228 31.823 -0.269 0.000 0.641 210 V HN 0.349 nan 8.190 nan 0.000 0.445 211 L N -0.706 120.378 121.223 -0.231 0.000 2.083 211 L HA -0.192 4.147 4.340 -0.001 0.000 0.209 211 L C 2.584 179.452 176.870 -0.003 0.000 1.083 211 L CA 1.654 56.452 54.840 -0.069 0.000 0.752 211 L CB -0.639 41.435 42.059 0.025 0.000 0.899 211 L HN 0.285 nan 8.230 nan 0.000 0.433 212 K N 0.002 120.374 120.400 -0.046 0.000 2.057 212 K HA -0.217 4.103 4.320 -0.001 0.000 0.207 212 K C 2.190 178.792 176.600 0.004 0.000 1.049 212 K CA 1.163 57.441 56.287 -0.016 0.000 0.931 212 K CB -0.052 32.422 32.500 -0.043 0.000 0.714 212 K HN -0.039 nan 8.250 nan 0.000 0.440 213 K N 0.729 121.099 120.400 -0.051 0.000 2.026 213 K HA -0.106 4.214 4.320 -0.001 0.000 0.208 213 K C 1.761 178.478 176.600 0.195 0.000 1.048 213 K CA 1.343 57.631 56.287 0.001 0.000 0.929 213 K CB -0.334 32.109 32.500 -0.095 0.000 0.713 213 K HN -0.055 nan 8.250 nan 0.000 0.439 214 F N 1.916 121.923 119.950 0.095 0.000 2.091 214 F HA -0.230 4.296 4.527 -0.001 0.000 0.299 214 F C 1.915 177.750 175.800 0.058 0.000 1.103 214 F CA 1.600 59.660 58.000 0.099 0.000 1.228 214 F CB -1.136 37.925 39.000 0.103 0.000 0.984 214 F HN 0.172 nan 8.300 nan 0.000 0.477 215 D N -0.251 120.296 120.400 0.245 0.000 2.149 215 D HA -0.185 4.455 4.640 -0.001 0.000 0.198 215 D C 2.238 178.596 176.300 0.096 0.000 0.990 215 D CA 1.263 55.342 54.000 0.131 0.000 0.839 215 D CB -0.431 40.422 40.800 0.088 0.000 0.948 215 D HN 0.408 nan 8.370 nan 0.000 0.460 216 E N 0.222 120.479 120.200 0.095 0.000 2.106 216 E HA -0.116 4.233 4.350 -0.001 0.000 0.192 216 E C 2.028 178.676 176.600 0.080 0.000 0.984 216 E CA 0.561 57.002 56.400 0.068 0.000 0.806 216 E CB 0.270 29.999 29.700 0.048 0.000 0.750 216 E HN 0.033 nan 8.360 nan 0.000 0.458 217 V N 1.486 121.473 119.914 0.121 0.000 2.358 217 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 217 V C 2.471 178.602 176.094 0.062 0.000 1.047 217 V CA 1.770 64.137 62.300 0.112 0.000 1.035 217 V CB -0.501 31.424 31.823 0.169 0.000 0.658 217 V HN 0.224 nan 8.190 nan 0.000 0.452 218 K N 0.191 120.626 120.400 0.058 0.000 2.026 218 K HA -0.263 4.056 4.320 -0.001 0.000 0.208 218 K C 2.237 178.850 176.600 0.021 0.000 1.048 218 K CA 2.026 58.328 56.287 0.025 0.000 0.929 218 K CB -0.097 32.417 32.500 0.024 0.000 0.713 218 K HN 0.412 nan 8.250 nan 0.000 0.439 219 E N 0.777 120.996 120.200 0.031 0.000 2.268 219 E HA -0.108 4.241 4.350 -0.001 0.000 0.195 219 E C 1.606 178.219 176.600 0.021 0.000 0.995 219 E CA 0.895 57.309 56.400 0.023 0.000 0.836 219 E CB -0.018 29.697 29.700 0.025 0.000 0.763 219 E HN 0.333 nan 8.360 nan 0.000 0.491 220 L N -1.141 120.098 121.223 0.027 0.000 2.558 220 L HA 0.263 4.602 4.340 -0.001 0.000 0.225 220 L C 1.335 178.213 176.870 0.014 0.000 1.128 220 L CA 0.272 55.126 54.840 0.023 0.000 0.868 220 L CB -0.061 42.019 42.059 0.034 0.000 1.006 220 L HN 0.318 nan 8.230 nan 0.000 0.454 221 G N 0.653 109.458 108.800 0.009 0.000 2.249 221 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.273 221 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.273 221 G C 0.596 175.491 174.900 -0.009 0.000 1.036 221 G CA 0.486 45.585 45.100 -0.003 0.000 0.824 221 G HN 0.381 nan 8.290 nan 0.000 0.504 222 L N -0.887 120.335 121.223 -0.002 0.000 2.515 222 L HA 0.291 4.630 4.340 -0.001 0.000 0.223 222 L C 2.624 179.476 176.870 -0.029 0.000 1.079 222 L CA -0.111 54.724 54.840 -0.009 0.000 0.857 222 L CB -0.344 41.724 42.059 0.015 0.000 1.050 222 L HN 0.311 nan 8.230 nan 0.000 0.476 223 L N 1.013 122.217 121.223 -0.031 0.000 2.017 223 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 223 L C 2.214 179.030 176.870 -0.090 0.000 1.073 223 L CA 2.017 56.815 54.840 -0.071 0.000 0.745 223 L CB -0.657 41.353 42.059 -0.082 0.000 0.894 223 L HN 0.351 nan 8.230 nan 0.000 0.432 224 E N -0.200 119.957 120.200 -0.071 0.000 2.149 224 E HA -0.336 4.014 4.350 -0.001 0.000 0.215 224 E C 1.936 178.485 176.600 -0.084 0.000 1.055 224 E CA 2.544 58.900 56.400 -0.072 0.000 0.870 224 E CB -0.214 29.454 29.700 -0.053 0.000 0.764 224 E HN 0.525 nan 8.360 nan 0.000 0.463 225 R N 0.452 120.902 120.500 -0.083 0.000 2.115 225 R HA 0.051 4.390 4.340 -0.001 0.000 0.226 225 R C 0.897 177.132 176.300 -0.110 0.000 1.100 225 R CA 0.126 56.174 56.100 -0.087 0.000 0.980 225 R CB -0.783 29.469 30.300 -0.080 0.000 0.875 225 R HN 0.107 nan 8.270 nan 0.000 0.445 226 I N 2.392 122.883 120.570 -0.132 0.000 3.183 226 I HA -0.295 3.875 4.170 -0.001 0.000 0.256 226 I C 0.447 176.467 176.117 -0.163 0.000 1.021 226 I CA 0.718 61.916 61.300 -0.170 0.000 2.322 226 I CB 0.401 38.271 38.000 -0.216 0.000 0.945 226 I HN 0.292 nan 8.210 nan 0.000 0.381 227 Q N 5.936 125.639 119.800 -0.162 0.000 2.324 227 Q HA 0.290 4.629 4.340 -0.001 0.000 0.207 227 Q C 0.477 176.384 176.000 -0.154 0.000 0.928 227 Q CA 0.849 56.567 55.803 -0.142 0.000 0.890 227 Q CB 0.364 29.028 28.738 -0.123 0.000 1.001 227 Q HN 0.797 nan 8.270 nan 0.000 0.517 228 M N 0.027 119.505 119.600 -0.203 0.000 2.413 228 M HA 0.437 4.916 4.480 -0.001 0.000 0.287 228 M C -1.946 174.185 176.300 -0.282 0.000 1.186 228 M CA -0.292 54.885 55.300 -0.205 0.000 0.927 228 M CB 2.089 34.558 32.600 -0.218 0.000 1.715 228 M HN -0.076 nan 8.290 nan 0.000 0.478 229 I N 3.595 124.045 120.570 -0.200 0.000 2.378 229 I HA 0.631 4.800 4.170 -0.001 0.000 0.291 229 I C -0.424 175.634 176.117 -0.098 0.000 0.992 229 I CA -0.622 60.536 61.300 -0.236 0.000 1.154 229 I CB 2.038 39.817 38.000 -0.369 0.000 1.315 229 I HN 0.827 nan 8.210 nan 0.000 0.448 230 A N 9.214 131.875 122.820 -0.264 0.000 2.664 230 A HA 0.635 4.955 4.320 -0.001 0.000 0.338 230 A C -2.616 175.003 177.584 0.060 0.000 1.280 230 A CA -1.422 50.480 52.037 -0.224 0.000 0.809 230 A CB 0.005 18.530 19.000 -0.791 0.000 1.114 230 A HN 0.335 nan 8.150 nan 0.000 0.479 231 P HA 0.203 nan 4.420 nan 0.000 0.282 231 P C 0.865 178.382 177.300 0.362 0.000 1.287 231 P CA -0.248 63.031 63.100 0.297 0.000 0.792 231 P CB 1.235 33.114 31.700 0.298 0.000 1.163 232 S N -2.144 113.701 115.700 0.241 0.000 2.522 232 S HA 0.011 4.480 4.470 -0.001 0.000 0.227 232 S C 0.572 175.117 174.600 -0.090 0.000 0.986 232 S CA 0.447 58.687 58.200 0.066 0.000 0.929 232 S CB -0.725 62.288 63.200 -0.313 0.000 0.769 232 S HN 0.476 nan 8.310 nan 0.000 0.529 233 H N 0.208 119.394 119.070 0.194 0.000 2.771 233 H HA 0.556 5.111 4.556 -0.001 0.000 0.361 233 H C 0.934 176.256 175.328 -0.010 0.000 1.108 233 H CA 0.020 56.126 56.048 0.097 0.000 1.201 233 H CB 1.391 31.152 29.762 -0.001 0.000 1.681 233 H HN 0.387 nan 8.280 nan 0.000 0.534 234 G N 2.586 111.446 108.800 0.099 0.000 2.498 234 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.245 234 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.245 234 G C -0.601 174.234 174.900 -0.109 0.000 1.204 234 G CA -0.581 44.503 45.100 -0.027 0.000 0.933 234 G HN 0.510 nan 8.290 nan 0.000 0.574 235 Q N 0.042 119.697 119.800 -0.242 0.000 2.306 235 Q HA 0.657 4.996 4.340 -0.001 0.000 0.241 235 Q C 0.514 176.256 176.000 -0.430 0.000 0.948 235 Q CA -0.321 55.254 55.803 -0.380 0.000 0.886 235 Q CB 1.154 29.570 28.738 -0.538 0.000 1.227 235 Q HN 0.572 nan 8.270 nan 0.000 0.457 236 I N 1.153 121.536 120.570 -0.312 0.000 2.365 236 I HA 0.139 4.308 4.170 -0.001 0.000 0.291 236 I C -0.413 175.534 176.117 -0.283 0.000 1.004 236 I CA -0.448 60.740 61.300 -0.187 0.000 1.311 236 I CB 0.665 38.636 38.000 -0.049 0.000 1.401 236 I HN 0.399 nan 8.210 nan 0.000 0.491 237 W N 5.496 126.731 121.300 -0.109 0.000 2.433 237 W HA 0.194 4.853 4.660 -0.001 0.000 0.331 237 W C 1.577 178.003 176.519 -0.155 0.000 1.110 237 W CA -0.518 56.746 57.345 -0.134 0.000 1.450 237 W CB 0.553 29.899 29.460 -0.190 0.000 1.348 237 W HN 0.566 nan 8.180 nan 0.000 0.415 238 T N -2.549 112.034 114.554 0.049 0.000 3.085 238 T HA -0.110 4.240 4.350 -0.001 0.000 0.263 238 T C 0.412 175.118 174.700 0.010 0.000 1.127 238 T CA 0.559 62.656 62.100 -0.005 0.000 1.103 238 T CB 0.026 68.874 68.868 -0.034 0.000 0.921 238 T HN 0.205 nan 8.240 nan 0.000 0.510 239 D N 2.445 122.897 120.400 0.086 0.000 2.590 239 D HA 0.288 4.927 4.640 -0.001 0.000 0.280 239 D C -1.651 174.650 176.300 0.002 0.000 1.197 239 D CA -2.570 51.456 54.000 0.045 0.000 0.967 239 D CB 1.509 42.357 40.800 0.081 0.000 0.987 239 D HN 0.108 nan 8.370 nan 0.000 0.508 240 P HA -0.118 nan 4.420 nan 0.000 0.221 240 P C 1.637 178.676 177.300 -0.435 0.000 1.150 240 P CA 0.495 63.407 63.100 -0.313 0.000 0.800 240 P CB 0.278 31.781 31.700 -0.328 0.000 0.787 241 M N 0.077 119.497 119.600 -0.299 0.000 2.279 241 M HA -0.107 4.373 4.480 -0.001 0.000 0.264 241 M C 2.166 178.294 176.300 -0.286 0.000 1.062 241 M CA 1.348 56.472 55.300 -0.293 0.000 1.099 241 M CB -1.461 31.015 32.600 -0.207 0.000 1.394 241 M HN 0.009 nan 8.290 nan 0.000 0.426 242 K N 0.290 120.547 120.400 -0.239 0.000 2.032 242 K HA -0.191 4.129 4.320 -0.001 0.000 0.209 242 K C 1.889 178.279 176.600 -0.350 0.000 1.048 242 K CA 1.413 57.580 56.287 -0.201 0.000 0.927 242 K CB -0.163 32.315 32.500 -0.038 0.000 0.712 242 K HN 0.176 nan 8.250 nan 0.000 0.441 243 I N 0.851 121.022 120.570 -0.664 0.000 2.716 243 I HA -0.059 4.111 4.170 -0.001 0.000 0.259 243 I C 1.663 177.526 176.117 -0.423 0.000 1.172 243 I CA 0.738 61.559 61.300 -0.799 0.000 1.478 243 I CB 0.072 36.939 38.000 -1.887 0.000 1.104 243 I HN 0.216 nan 8.210 nan 0.000 0.439 244 I N 0.332 120.588 120.570 -0.524 0.000 2.179 244 I HA -0.289 3.881 4.170 -0.001 0.000 0.242 244 I C 2.236 178.266 176.117 -0.145 0.000 1.088 244 I CA 1.505 62.594 61.300 -0.352 0.000 1.357 244 I CB -0.303 37.359 38.000 -0.563 0.000 1.051 244 I HN 0.230 nan 8.210 nan 0.000 0.409 245 E N 0.662 120.731 120.200 -0.219 0.000 2.106 245 E HA -0.180 4.169 4.350 -0.001 0.000 0.192 245 E C 2.295 178.763 176.600 -0.219 0.000 0.984 245 E CA 1.213 57.506 56.400 -0.178 0.000 0.806 245 E CB -0.164 29.424 29.700 -0.186 0.000 0.750 245 E HN 0.504 nan 8.360 nan 0.000 0.458 246 A N 0.343 122.966 122.820 -0.328 0.000 1.898 246 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 246 A C 1.810 178.971 177.584 -0.706 0.000 1.181 246 A CA 1.148 52.731 52.037 -0.758 0.000 0.620 246 A CB -0.699 17.706 19.000 -0.992 0.000 0.819 246 A HN 0.251 nan 8.150 nan 0.000 0.442 247 Y N 1.043 121.226 120.300 -0.195 0.000 2.181 247 Y HA -0.172 4.378 4.550 -0.001 0.000 0.288 247 Y C 2.968 178.970 175.900 0.171 0.000 1.146 247 Y CA 1.831 60.078 58.100 0.246 0.000 1.164 247 Y CB -0.939 37.915 38.460 0.656 0.000 0.982 247 Y HN 0.330 nan 8.280 nan 0.000 0.515 248 T N -1.002 113.751 114.554 0.332 0.000 2.746 248 T HA -0.176 4.173 4.350 -0.001 0.000 0.267 248 T C 2.233 176.955 174.700 0.038 0.000 1.039 248 T CA 1.402 63.646 62.100 0.240 0.000 1.142 248 T CB -0.962 68.004 68.868 0.164 0.000 0.866 248 T HN 0.547 nan 8.240 nan 0.000 0.444 249 G N 0.432 109.154 108.800 -0.131 0.000 2.421 249 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.216 249 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.216 249 G C 1.323 176.147 174.900 -0.125 0.000 1.171 249 G CA 0.508 45.492 45.100 -0.194 0.000 0.775 249 G HN 0.431 nan 8.290 nan 0.000 0.543 250 W N 0.916 122.053 121.300 -0.271 0.000 2.388 250 W HA 0.199 4.858 4.660 -0.001 0.000 0.294 250 W C 2.846 179.154 176.519 -0.352 0.000 1.212 250 W CA 0.707 57.743 57.345 -0.515 0.000 1.271 250 W CB -0.913 27.746 29.460 -1.334 0.000 1.126 250 W HN 0.322 nan 8.180 nan 0.000 0.535 251 A N -0.090 122.745 122.820 0.026 0.000 2.119 251 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 251 A C 1.699 179.343 177.584 0.099 0.000 1.153 251 A CA 1.934 54.063 52.037 0.153 0.000 0.692 251 A CB -0.849 18.263 19.000 0.187 0.000 0.799 251 A HN 0.212 nan 8.150 nan 0.000 0.458 252 T N -5.169 109.428 114.554 0.073 0.000 3.085 252 T HA 0.439 4.788 4.350 -0.001 0.000 0.264 252 T C 1.098 175.829 174.700 0.052 0.000 1.019 252 T CA 0.846 62.980 62.100 0.056 0.000 0.910 252 T CB 0.127 69.023 68.868 0.046 0.000 1.059 252 T HN 1.576 nan 8.240 nan 0.000 0.542 253 G N 2.579 111.422 108.800 0.073 0.000 2.198 253 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.257 253 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.257 253 G C 0.024 174.963 174.900 0.065 0.000 1.042 253 G CA -0.090 45.058 45.100 0.081 0.000 0.791 253 G HN 0.467 nan 8.290 nan 0.000 0.502 254 M N 0.420 120.051 119.600 0.052 0.000 2.184 254 M HA 0.504 4.983 4.480 -0.001 0.000 0.351 254 M C 0.592 176.929 176.300 0.063 0.000 1.395 254 M CA -0.374 54.943 55.300 0.029 0.000 1.117 254 M CB 0.539 33.126 32.600 -0.021 0.000 1.708 254 M HN 0.722 nan 8.290 nan 0.000 0.468 255 V N 0.395 120.344 119.914 0.059 0.000 2.971 255 V HA 0.612 4.731 4.120 -0.001 0.000 0.309 255 V C -0.410 175.718 176.094 0.056 0.000 1.130 255 V CA -1.210 61.137 62.300 0.079 0.000 0.964 255 V CB 2.211 34.083 31.823 0.081 0.000 1.029 255 V HN 0.625 nan 8.190 nan 0.000 0.427 256 D N 1.435 121.873 120.400 0.064 0.000 2.384 256 D HA 0.248 4.888 4.640 -0.001 0.000 0.244 256 D C 0.149 176.477 176.300 0.046 0.000 1.251 256 D CA -0.060 53.970 54.000 0.050 0.000 0.961 256 D CB 0.754 41.589 40.800 0.058 0.000 1.116 256 D HN 0.780 nan 8.370 nan 0.000 0.484 257 E N 0.714 120.935 120.200 0.035 0.000 2.217 257 E HA 0.277 4.626 4.350 -0.001 0.000 0.279 257 E C 0.135 176.752 176.600 0.028 0.000 1.068 257 E CA 0.128 56.544 56.400 0.027 0.000 0.882 257 E CB 0.925 30.636 29.700 0.017 0.000 1.039 257 E HN 0.151 nan 8.360 nan 0.000 0.418 258 R N 2.351 122.869 120.500 0.030 0.000 2.561 258 R HA 0.324 4.663 4.340 -0.001 0.000 0.266 258 R C -1.955 174.362 176.300 0.028 0.000 1.091 258 R CA -0.513 55.605 56.100 0.031 0.000 0.927 258 R CB 1.419 31.750 30.300 0.051 0.000 1.240 258 R HN 0.308 nan 8.270 nan 0.000 0.449 259 V N 2.853 122.777 119.914 0.017 0.000 2.459 259 V HA 0.484 4.604 4.120 -0.001 0.000 0.295 259 V C -0.324 175.791 176.094 0.034 0.000 1.029 259 V CA -0.538 61.773 62.300 0.019 0.000 0.874 259 V CB 2.098 33.916 31.823 -0.008 0.000 0.985 259 V HN 0.799 nan 8.190 nan 0.000 0.438 260 T N 4.319 118.907 114.554 0.057 0.000 2.758 260 T HA 0.508 4.857 4.350 -0.001 0.000 0.285 260 T C -0.304 174.462 174.700 0.111 0.000 0.981 260 T CA -0.286 61.876 62.100 0.104 0.000 0.965 260 T CB 1.337 70.287 68.868 0.136 0.000 0.927 260 T HN 0.352 nan 8.240 nan 0.000 0.448 261 V N 5.582 125.576 119.914 0.133 0.000 2.439 261 V HA 0.558 4.677 4.120 -0.001 0.000 0.282 261 V C -0.129 176.137 176.094 0.286 0.000 1.039 261 V CA -0.653 61.763 62.300 0.192 0.000 0.913 261 V CB 1.044 32.946 31.823 0.131 0.000 0.983 261 V HN 0.769 nan 8.190 nan 0.000 0.460 262 I N 6.073 126.827 120.570 0.306 0.000 2.569 262 I HA 0.611 4.780 4.170 -0.001 0.000 0.290 262 I C -0.900 175.370 176.117 0.255 0.000 1.088 262 I CA -0.578 60.865 61.300 0.239 0.000 1.047 262 I CB 1.909 39.960 38.000 0.085 0.000 1.237 262 I HN 0.775 nan 8.210 nan 0.000 0.421 263 Y N 2.866 123.203 120.300 0.062 0.000 2.655 263 Y HA 0.776 5.325 4.550 -0.001 0.000 0.336 263 Y C -1.803 174.066 175.900 -0.051 0.000 1.154 263 Y CA -1.002 57.081 58.100 -0.027 0.000 1.055 263 Y CB 1.625 40.144 38.460 0.098 0.000 1.295 263 Y HN 0.378 nan 8.280 nan 0.000 0.465 264 D N -0.173 120.164 120.400 -0.105 0.000 2.493 264 D HA 0.654 5.293 4.640 -0.001 0.000 0.239 264 D C -1.489 174.826 176.300 0.025 0.000 1.049 264 D CA -0.056 53.834 54.000 -0.185 0.000 1.008 264 D CB 2.771 43.480 40.800 -0.153 0.000 1.398 264 D HN 0.798 nan 8.370 nan 0.000 0.513 265 T N 0.238 114.743 114.554 -0.081 0.000 2.840 265 T HA 0.373 4.722 4.350 -0.001 0.000 0.317 265 T C 0.199 174.754 174.700 -0.243 0.000 1.401 265 T CA -0.293 61.774 62.100 -0.054 0.000 1.028 265 T CB 1.230 70.202 68.868 0.173 0.000 1.317 265 T HN 0.335 nan 8.240 nan 0.000 0.495 266 M N 0.710 120.146 119.600 -0.273 0.000 2.999 266 M HA 0.280 4.759 4.480 -0.001 0.000 0.246 266 M C 1.132 177.253 176.300 -0.298 0.000 1.478 266 M CA 0.638 55.700 55.300 -0.395 0.000 1.243 266 M CB 0.275 32.542 32.600 -0.554 0.000 1.213 266 M HN 0.712 nan 8.290 nan 0.000 0.564 267 H N -0.642 118.410 119.070 -0.030 0.000 2.672 267 H HA 0.332 4.888 4.556 -0.001 0.000 0.277 267 H C 0.995 176.313 175.328 -0.017 0.000 1.074 267 H CA 0.324 56.356 56.048 -0.025 0.000 1.173 267 H CB 0.697 30.441 29.762 -0.030 0.000 1.558 267 H HN 0.610 nan 8.280 nan 0.000 0.539 268 G N 0.103 108.958 108.800 0.091 0.000 2.175 268 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.244 268 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.244 268 G C 1.331 176.237 174.900 0.011 0.000 0.982 268 G CA 0.622 45.750 45.100 0.047 0.000 0.641 268 G HN 0.386 nan 8.290 nan 0.000 0.527 269 S N 0.060 115.788 115.700 0.046 0.000 2.355 269 S HA -0.065 4.404 4.470 -0.001 0.000 0.222 269 S C 2.400 177.019 174.600 0.032 0.000 1.031 269 S CA 2.138 60.359 58.200 0.034 0.000 0.993 269 S CB -0.394 62.849 63.200 0.073 0.000 0.859 269 S HN 0.633 nan 8.310 nan 0.000 0.453 270 T N 1.807 116.401 114.554 0.066 0.000 2.833 270 T HA -0.104 4.245 4.350 -0.001 0.000 0.269 270 T C 1.812 176.508 174.700 -0.007 0.000 1.054 270 T CA 1.222 63.396 62.100 0.123 0.000 1.135 270 T CB -0.189 68.759 68.868 0.133 0.000 0.869 270 T HN 0.357 nan 8.240 nan 0.000 0.466 271 R N 1.294 121.702 120.500 -0.153 0.000 2.083 271 R HA -0.111 4.228 4.340 -0.001 0.000 0.237 271 R C 2.247 178.280 176.300 -0.445 0.000 1.137 271 R CA 1.566 57.365 56.100 -0.502 0.000 0.951 271 R CB -0.081 30.062 30.300 -0.262 0.000 0.851 271 R HN 0.312 nan 8.270 nan 0.000 0.434 272 K N -0.033 120.200 120.400 -0.278 0.000 2.063 272 K HA -0.152 4.167 4.320 -0.001 0.000 0.208 272 K C 2.196 178.718 176.600 -0.130 0.000 1.048 272 K CA 2.186 58.341 56.287 -0.220 0.000 0.928 272 K CB -0.161 32.268 32.500 -0.119 0.000 0.713 272 K HN 0.261 nan 8.250 nan 0.000 0.442 273 M N 0.450 119.995 119.600 -0.091 0.000 2.086 273 M HA -0.148 4.332 4.480 -0.001 0.000 0.261 273 M C 2.508 178.610 176.300 -0.331 0.000 1.067 273 M CA 1.677 56.896 55.300 -0.134 0.000 1.116 273 M CB -0.518 32.084 32.600 0.004 0.000 1.348 273 M HN 0.205 nan 8.290 nan 0.000 0.407 274 A N -0.130 122.520 122.820 -0.282 0.000 1.908 274 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 274 A C 1.864 179.370 177.584 -0.130 0.000 1.181 274 A CA 1.675 53.533 52.037 -0.298 0.000 0.627 274 A CB -1.367 17.485 19.000 -0.246 0.000 0.818 274 A HN 0.573 nan 8.150 nan 0.000 0.445 275 H N -0.991 117.931 119.070 -0.247 0.000 2.387 275 H HA -0.051 4.505 4.556 -0.001 0.000 0.299 275 H C 2.562 177.821 175.328 -0.114 0.000 1.090 275 H CA 0.843 56.802 56.048 -0.148 0.000 1.332 275 H CB 0.016 29.713 29.762 -0.108 0.000 1.386 275 H HN 0.586 nan 8.280 nan 0.000 0.516 276 A N 1.232 124.061 122.820 0.014 0.000 1.877 276 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 276 A C 2.453 179.990 177.584 -0.080 0.000 1.186 276 A CA 1.061 53.110 52.037 0.020 0.000 0.620 276 A CB -0.698 18.310 19.000 0.013 0.000 0.822 276 A HN 0.255 nan 8.150 nan 0.000 0.443 277 I N -0.147 120.293 120.570 -0.217 0.000 2.208 277 I HA -0.326 3.843 4.170 -0.001 0.000 0.245 277 I C 2.964 178.939 176.117 -0.237 0.000 1.097 277 I CA 1.187 62.318 61.300 -0.281 0.000 1.363 277 I CB -0.266 37.465 38.000 -0.447 0.000 1.051 277 I HN 0.370 nan 8.210 nan 0.000 0.413 278 A N 0.070 122.779 122.820 -0.186 0.000 1.902 278 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 278 A C 2.199 179.682 177.584 -0.169 0.000 1.181 278 A CA 1.969 53.910 52.037 -0.160 0.000 0.623 278 A CB -0.559 18.346 19.000 -0.158 0.000 0.818 278 A HN 0.392 nan 8.150 nan 0.000 0.443 279 E N -0.091 120.030 120.200 -0.133 0.000 2.058 279 E HA -0.091 4.258 4.350 -0.001 0.000 0.194 279 E C 2.017 178.406 176.600 -0.351 0.000 0.997 279 E CA 1.635 57.986 56.400 -0.082 0.000 0.801 279 E CB -0.740 29.043 29.700 0.139 0.000 0.746 279 E HN 0.437 nan 8.360 nan 0.000 0.450 280 G N -0.003 108.318 108.800 -0.799 0.000 2.418 280 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.217 280 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.217 280 G C 1.679 176.167 174.900 -0.688 0.000 1.158 280 G CA 1.047 45.220 45.100 -1.546 0.000 0.771 280 G HN 0.439 nan 8.290 nan 0.000 0.545 281 A N 0.727 123.309 122.820 -0.397 0.000 1.873 281 A HA 0.052 4.372 4.320 -0.001 0.000 0.215 281 A C 2.454 179.935 177.584 -0.171 0.000 1.186 281 A CA 1.717 53.617 52.037 -0.227 0.000 0.616 281 A CB -0.392 18.513 19.000 -0.157 0.000 0.823 281 A HN 0.358 nan 8.150 nan 0.000 0.442 282 M N 0.623 120.127 119.600 -0.159 0.000 2.144 282 M HA -0.198 4.282 4.480 -0.001 0.000 0.260 282 M C 2.435 178.693 176.300 -0.071 0.000 1.067 282 M CA 1.911 57.155 55.300 -0.093 0.000 1.095 282 M CB -0.568 31.989 32.600 -0.071 0.000 1.365 282 M HN 0.679 nan 8.290 nan 0.000 0.406 283 S N -0.118 115.522 115.700 -0.100 0.000 2.440 283 S HA -0.133 4.336 4.470 -0.001 0.000 0.238 283 S C 1.491 176.079 174.600 -0.021 0.000 1.010 283 S CA 1.065 59.254 58.200 -0.018 0.000 0.972 283 S CB -0.354 62.879 63.200 0.056 0.000 0.774 283 S HN 0.456 nan 8.310 nan 0.000 0.501 284 E N 0.642 120.806 120.200 -0.060 0.000 2.479 284 E HA 0.204 4.554 4.350 -0.001 0.000 0.193 284 E C 1.388 177.974 176.600 -0.022 0.000 1.049 284 E CA 0.551 56.929 56.400 -0.036 0.000 0.870 284 E CB 0.076 29.745 29.700 -0.051 0.000 0.944 284 E HN 0.744 nan 8.360 nan 0.000 0.492 285 G N 1.480 110.266 108.800 -0.023 0.000 2.157 285 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.248 285 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.248 285 G C 0.593 175.487 174.900 -0.010 0.000 0.979 285 G CA 0.445 45.538 45.100 -0.011 0.000 0.650 285 G HN 0.261 nan 8.290 nan 0.000 0.529 286 V N -1.805 118.098 119.914 -0.018 0.000 3.036 286 V HA 0.762 4.882 4.120 -0.001 0.000 0.308 286 V C 0.576 176.664 176.094 -0.010 0.000 1.070 286 V CA -0.586 61.708 62.300 -0.010 0.000 1.056 286 V CB 1.720 33.535 31.823 -0.014 0.000 1.084 286 V HN 0.196 nan 8.190 nan 0.000 0.471 287 D N 0.827 121.230 120.400 0.004 0.000 2.341 287 D HA 0.505 5.144 4.640 -0.001 0.000 0.245 287 D C -0.649 175.648 176.300 -0.005 0.000 1.106 287 D CA 0.148 54.152 54.000 0.006 0.000 0.905 287 D CB 1.503 42.319 40.800 0.028 0.000 1.202 287 D HN 0.588 nan 8.370 nan 0.000 0.426 288 V N 4.158 124.060 119.914 -0.019 0.000 2.760 288 V HA 0.545 4.664 4.120 -0.001 0.000 0.309 288 V C -0.349 175.716 176.094 -0.047 0.000 1.077 288 V CA -0.900 61.380 62.300 -0.033 0.000 0.910 288 V CB 2.089 33.875 31.823 -0.061 0.000 1.008 288 V HN 0.492 nan 8.190 nan 0.000 0.424 289 R N 2.653 123.126 120.500 -0.045 0.000 2.686 289 R HA 0.777 5.116 4.340 -0.001 0.000 0.286 289 R C -1.495 174.713 176.300 -0.153 0.000 0.969 289 R CA -0.703 55.320 56.100 -0.129 0.000 0.898 289 R CB 2.294 32.563 30.300 -0.052 0.000 1.183 289 R HN 0.447 nan 8.270 nan 0.000 0.456 290 V N 3.792 123.533 119.914 -0.288 0.000 2.487 290 V HA 0.461 4.580 4.120 -0.001 0.000 0.298 290 V C -1.185 174.753 176.094 -0.260 0.000 1.028 290 V CA -0.766 61.450 62.300 -0.139 0.000 0.860 290 V CB 1.434 33.213 31.823 -0.073 0.000 0.991 290 V HN 0.572 nan 8.190 nan 0.000 0.427 291 Y N 2.493 122.841 120.300 0.080 0.000 2.446 291 Y HA 0.610 5.160 4.550 -0.001 0.000 0.345 291 Y C 0.135 175.935 175.900 -0.167 0.000 0.984 291 Y CA -0.570 57.519 58.100 -0.018 0.000 1.058 291 Y CB 1.953 40.390 38.460 -0.038 0.000 1.220 291 Y HN 0.670 nan 8.280 nan 0.000 0.455 292 C N 5.193 124.391 119.300 -0.170 0.000 2.322 292 C HA 0.438 4.898 4.460 -0.001 0.000 0.324 292 C C 1.321 176.060 174.990 -0.418 0.000 1.284 292 C CA -0.633 57.977 59.018 -0.681 0.000 1.606 292 C CB -0.876 26.402 27.740 -0.769 0.000 2.251 292 C HN 1.052 nan 8.230 nan 0.000 0.502 293 L N 4.915 125.903 121.223 -0.392 0.000 2.265 293 L HA -0.097 4.243 4.340 -0.001 0.000 0.215 293 L C 2.581 179.396 176.870 -0.092 0.000 1.117 293 L CA 1.424 56.159 54.840 -0.175 0.000 0.782 293 L CB -0.533 41.468 42.059 -0.096 0.000 0.914 293 L HN 0.863 nan 8.230 nan 0.000 0.441 294 H N -1.618 117.382 119.070 -0.115 0.000 2.546 294 H HA 0.011 4.566 4.556 -0.001 0.000 0.277 294 H C 1.106 176.412 175.328 -0.038 0.000 1.004 294 H CA 0.618 56.632 56.048 -0.057 0.000 1.231 294 H CB 0.412 30.138 29.762 -0.059 0.000 1.382 294 H HN 0.368 nan 8.280 nan 0.000 0.580 295 E N 0.623 120.783 120.200 -0.066 0.000 2.391 295 E HA 0.118 4.467 4.350 -0.001 0.000 0.206 295 E C -0.256 176.348 176.600 0.006 0.000 0.851 295 E CA 0.067 56.468 56.400 0.002 0.000 1.059 295 E CB 0.760 30.436 29.700 -0.041 0.000 1.065 295 E HN 0.441 nan 8.360 nan 0.000 0.512 296 D N 1.145 121.537 120.400 -0.015 0.000 2.248 296 D HA 0.215 4.854 4.640 -0.001 0.000 0.246 296 D C -0.728 175.544 176.300 -0.047 0.000 1.027 296 D CA -0.422 53.595 54.000 0.028 0.000 0.853 296 D CB 1.854 42.754 40.800 0.167 0.000 1.243 296 D HN -0.160 nan 8.370 nan 0.000 0.462 297 D N -0.335 120.025 120.400 -0.066 0.000 2.302 297 D HA 0.077 4.716 4.640 -0.001 0.000 0.248 297 D C 1.601 177.796 176.300 -0.175 0.000 1.094 297 D CA -0.452 53.481 54.000 -0.112 0.000 0.897 297 D CB 0.997 41.734 40.800 -0.105 0.000 1.200 297 D HN 0.299 nan 8.370 nan 0.000 0.429 298 R N 1.428 121.819 120.500 -0.182 0.000 2.127 298 R HA -0.170 4.169 4.340 -0.001 0.000 0.238 298 R C 1.574 177.816 176.300 -0.098 0.000 1.134 298 R CA 1.714 57.716 56.100 -0.163 0.000 0.975 298 R CB -0.660 29.490 30.300 -0.250 0.000 0.865 298 R HN 0.404 nan 8.270 nan 0.000 0.447 299 S N 0.254 115.858 115.700 -0.159 0.000 2.428 299 S HA -0.033 4.436 4.470 -0.001 0.000 0.230 299 S C 1.667 176.153 174.600 -0.189 0.000 1.014 299 S CA 0.513 58.625 58.200 -0.147 0.000 0.957 299 S CB 0.138 63.115 63.200 -0.373 0.000 0.784 299 S HN 0.296 nan 8.310 nan 0.000 0.499 300 E N 1.562 121.638 120.200 -0.207 0.000 2.076 300 E HA 0.109 4.458 4.350 -0.001 0.000 0.190 300 E C 2.074 178.471 176.600 -0.337 0.000 0.979 300 E CA 0.762 57.052 56.400 -0.183 0.000 0.807 300 E CB -0.411 29.233 29.700 -0.094 0.000 0.761 300 E HN 0.586 nan 8.360 nan 0.000 0.454 301 I N 1.244 121.488 120.570 -0.544 0.000 2.163 301 I HA -0.250 3.919 4.170 -0.001 0.000 0.243 301 I C 2.559 178.517 176.117 -0.266 0.000 1.085 301 I CA 1.340 62.208 61.300 -0.720 0.000 1.347 301 I CB -0.449 37.232 38.000 -0.532 0.000 1.044 301 I HN 0.012 nan 8.210 nan 0.000 0.408 302 V N -1.116 118.763 119.914 -0.058 0.000 2.626 302 V HA -0.222 3.898 4.120 -0.001 0.000 0.252 302 V C 2.400 178.568 176.094 0.123 0.000 1.067 302 V CA 1.643 64.011 62.300 0.114 0.000 1.081 302 V CB -0.894 31.125 31.823 0.327 0.000 0.686 302 V HN 0.411 nan 8.190 nan 0.000 0.468 303 K N 0.336 120.758 120.400 0.038 0.000 2.063 303 K HA -0.255 4.065 4.320 -0.001 0.000 0.208 303 K C 1.863 178.492 176.600 0.048 0.000 1.048 303 K CA 2.245 58.554 56.287 0.037 0.000 0.928 303 K CB -0.296 32.212 32.500 0.013 0.000 0.713 303 K HN 0.514 nan 8.250 nan 0.000 0.442 304 D N 0.523 120.955 120.400 0.053 0.000 2.194 304 D HA -0.043 4.596 4.640 -0.001 0.000 0.204 304 D C 1.916 178.233 176.300 0.028 0.000 0.964 304 D CA 0.699 54.761 54.000 0.103 0.000 0.846 304 D CB 0.008 40.959 40.800 0.252 0.000 0.962 304 D HN 0.294 nan 8.370 nan 0.000 0.490 305 I N 0.621 121.148 120.570 -0.071 0.000 2.286 305 I HA -0.241 3.928 4.170 -0.001 0.000 0.248 305 I C 2.292 178.229 176.117 -0.301 0.000 1.115 305 I CA 0.440 61.583 61.300 -0.261 0.000 1.392 305 I CB -0.105 37.574 38.000 -0.535 0.000 1.065 305 I HN 0.027 nan 8.210 nan 0.000 0.418 306 L N 0.806 121.985 121.223 -0.074 0.000 2.127 306 L HA -0.178 4.161 4.340 -0.001 0.000 0.211 306 L C 1.982 178.915 176.870 0.107 0.000 1.089 306 L CA 1.976 56.919 54.840 0.171 0.000 0.757 306 L CB -0.518 41.632 42.059 0.152 0.000 0.899 306 L HN 0.171 nan 8.230 nan 0.000 0.434 307 E N -0.504 119.746 120.200 0.084 0.000 2.444 307 E HA 0.222 4.571 4.350 -0.001 0.000 0.191 307 E C -0.039 176.614 176.600 0.088 0.000 1.041 307 E CA 0.045 56.523 56.400 0.130 0.000 0.883 307 E CB 0.211 30.004 29.700 0.154 0.000 1.024 307 E HN 0.366 nan 8.360 nan 0.000 0.470 308 S N -0.692 115.036 115.700 0.046 0.000 2.482 308 S HA 0.455 4.924 4.470 -0.001 0.000 0.303 308 S C 0.965 175.585 174.600 0.033 0.000 1.091 308 S CA -0.569 57.654 58.200 0.037 0.000 1.057 308 S CB 1.930 65.145 63.200 0.025 0.000 1.031 308 S HN 0.249 nan 8.310 nan 0.000 0.485 309 G N 0.941 109.766 108.800 0.041 0.000 2.777 309 G HA2 0.480 4.440 3.960 -0.001 0.000 0.211 309 G HA3 0.480 4.440 3.960 -0.001 0.000 0.211 309 G C 0.196 175.130 174.900 0.057 0.000 1.149 309 G CA 0.350 45.475 45.100 0.042 0.000 0.785 309 G HN 0.932 nan 8.290 nan 0.000 0.536 310 A N -0.137 122.720 122.820 0.062 0.000 2.549 310 A HA 0.706 5.025 4.320 -0.001 0.000 0.297 310 A C -0.919 176.707 177.584 0.069 0.000 1.061 310 A CA -0.777 51.309 52.037 0.081 0.000 0.690 310 A CB 1.276 20.308 19.000 0.054 0.000 1.287 310 A HN 0.645 nan 8.150 nan 0.000 0.402 311 I N -1.109 119.503 120.570 0.071 0.000 2.846 311 I HA 0.965 5.134 4.170 -0.001 0.000 0.307 311 I C -0.163 175.973 176.117 0.031 0.000 1.053 311 I CA -1.104 60.205 61.300 0.014 0.000 1.050 311 I CB 2.356 40.293 38.000 -0.104 0.000 1.239 311 I HN 0.851 nan 8.210 nan 0.000 0.439 312 A N 4.967 127.837 122.820 0.083 0.000 2.343 312 A HA 0.805 5.124 4.320 -0.001 0.000 0.316 312 A C -1.397 176.342 177.584 0.257 0.000 1.104 312 A CA -0.532 51.626 52.037 0.201 0.000 0.768 312 A CB 1.530 20.664 19.000 0.224 0.000 1.213 312 A HN 0.766 nan 8.150 nan 0.000 0.456 313 L N 2.316 123.634 121.223 0.157 0.000 2.376 313 L HA 0.825 5.165 4.340 -0.001 0.000 0.275 313 L C 0.074 176.635 176.870 -0.515 0.000 0.987 313 L CA 0.118 54.912 54.840 -0.077 0.000 0.828 313 L CB 1.858 43.837 42.059 -0.135 0.000 1.249 313 L HN 0.829 nan 8.230 nan 0.000 0.409 314 G N 3.519 111.800 108.800 -0.865 0.000 2.566 314 G HA2 0.867 4.826 3.960 -0.001 0.000 0.311 314 G HA3 0.867 4.826 3.960 -0.001 0.000 0.311 314 G C -1.696 172.892 174.900 -0.520 0.000 1.322 314 G CA -0.140 44.029 45.100 -1.552 0.000 0.969 314 G HN 1.015 nan 8.290 nan 0.000 0.490 315 A N 3.159 125.771 122.820 -0.346 0.000 2.589 315 A HA 0.919 5.238 4.320 -0.001 0.000 0.296 315 A C -3.038 174.520 177.584 -0.042 0.000 1.062 315 A CA -1.198 50.780 52.037 -0.098 0.000 0.686 315 A CB 2.207 21.194 19.000 -0.021 0.000 1.282 315 A HN 0.563 nan 8.150 nan 0.000 0.404 316 P HA 0.368 nan 4.420 nan 0.000 0.274 316 P C -0.321 177.008 177.300 0.050 0.000 1.256 316 P CA 0.138 63.255 63.100 0.028 0.000 0.795 316 P CB 0.664 32.371 31.700 0.012 0.000 1.038 317 T N 1.553 116.126 114.554 0.032 0.000 2.799 317 T HA 0.548 4.898 4.350 -0.001 0.000 0.286 317 T C 0.115 174.811 174.700 -0.007 0.000 0.973 317 T CA -0.192 61.921 62.100 0.021 0.000 1.035 317 T CB 0.165 69.042 68.868 0.015 0.000 0.932 317 T HN 0.360 nan 8.240 nan 0.000 0.469 318 I N 3.345 123.902 120.570 -0.022 0.000 2.500 318 I HA 0.320 4.489 4.170 -0.001 0.000 0.286 318 I C -1.064 175.015 176.117 -0.063 0.000 1.063 318 I CA -0.819 60.395 61.300 -0.143 0.000 1.062 318 I CB 0.695 38.637 38.000 -0.097 0.000 1.223 318 I HN 0.695 nan 8.210 nan 0.000 0.435 319 Y N 6.661 126.982 120.300 0.034 0.000 3.078 319 Y HA -0.264 4.286 4.550 -0.001 0.000 0.202 319 Y C 0.892 176.801 175.900 0.014 0.000 1.322 319 Y CA 1.121 59.234 58.100 0.022 0.000 1.118 319 Y CB -2.142 36.325 38.460 0.011 0.000 1.343 319 Y HN 0.871 nan 8.280 nan 0.000 0.499 320 D N -2.442 118.035 120.400 0.129 0.000 2.978 320 D HA -0.198 4.442 4.640 -0.001 0.000 0.205 320 D C 0.300 176.633 176.300 0.055 0.000 1.093 320 D CA 1.724 55.771 54.000 0.079 0.000 1.006 320 D CB -0.281 40.566 40.800 0.078 0.000 1.116 320 D HN 0.603 nan 8.370 nan 0.000 0.419 321 E N -0.229 120.003 120.200 0.053 0.000 2.249 321 E HA 0.524 4.874 4.350 -0.001 0.000 0.263 321 E C -2.415 174.198 176.600 0.021 0.000 0.950 321 E CA -1.857 54.561 56.400 0.030 0.000 0.827 321 E CB 1.102 30.816 29.700 0.025 0.000 1.220 321 E HN -0.044 nan 8.360 nan 0.000 0.411 322 P HA -0.003 nan 4.420 nan 0.000 0.272 322 P C -0.408 176.912 177.300 0.032 0.000 1.223 322 P CA -0.091 63.024 63.100 0.025 0.000 0.784 322 P CB 0.104 31.808 31.700 0.007 0.000 0.923 323 Y N 5.479 125.756 120.300 -0.039 0.000 2.881 323 Y HA -0.072 4.477 4.550 -0.001 0.000 0.335 323 Y C -0.975 174.908 175.900 -0.028 0.000 1.263 323 Y CA -0.745 57.333 58.100 -0.036 0.000 1.572 323 Y CB -0.083 38.355 38.460 -0.038 0.000 1.237 323 Y HN 0.434 nan 8.280 nan 0.000 0.568 324 P HA -0.190 nan 4.420 nan 0.000 0.225 324 P C 1.278 178.487 177.300 -0.152 0.000 1.148 324 P CA 1.785 64.709 63.100 -0.293 0.000 0.779 324 P CB -0.032 31.466 31.700 -0.335 0.000 0.780 325 S N 0.437 116.094 115.700 -0.070 0.000 2.419 325 S HA -0.142 4.327 4.470 -0.001 0.000 0.235 325 S C 2.010 176.627 174.600 0.028 0.000 1.019 325 S CA 1.504 59.737 58.200 0.055 0.000 0.982 325 S CB -1.951 61.373 63.200 0.206 0.000 0.789 325 S HN 0.193 nan 8.310 nan 0.000 0.490 326 V N 0.068 120.003 119.914 0.034 0.000 2.970 326 V HA 0.250 4.370 4.120 -0.001 0.000 0.260 326 V C 2.252 178.342 176.094 -0.007 0.000 1.100 326 V CA 1.308 63.609 62.300 0.002 0.000 1.122 326 V CB -1.581 30.236 31.823 -0.009 0.000 0.721 326 V HN 0.455 nan 8.190 nan 0.000 0.483 327 G N 0.358 109.149 108.800 -0.014 0.000 2.408 327 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.217 327 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.217 327 G C 1.393 176.294 174.900 0.001 0.000 1.150 327 G CA 0.930 46.023 45.100 -0.011 0.000 0.776 327 G HN 0.574 nan 8.290 nan 0.000 0.542 328 D N 0.513 120.909 120.400 -0.008 0.000 2.084 328 D HA -0.105 4.534 4.640 -0.001 0.000 0.196 328 D C 2.470 178.787 176.300 0.027 0.000 0.985 328 D CA 0.810 54.806 54.000 -0.007 0.000 0.826 328 D CB -0.315 40.463 40.800 -0.036 0.000 0.978 328 D HN 0.146 nan 8.370 nan 0.000 0.456 329 L N 0.909 122.144 121.223 0.020 0.000 2.013 329 L HA -0.142 4.197 4.340 -0.001 0.000 0.212 329 L C 2.521 179.453 176.870 0.103 0.000 1.073 329 L CA 1.528 56.404 54.840 0.061 0.000 0.753 329 L CB -0.848 41.215 42.059 0.006 0.000 0.890 329 L HN 0.121 nan 8.230 nan 0.000 0.432 330 L N -1.554 119.702 121.223 0.054 0.000 2.141 330 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 330 L C 2.576 179.500 176.870 0.090 0.000 1.094 330 L CA 1.501 56.375 54.840 0.058 0.000 0.763 330 L CB -0.405 41.669 42.059 0.025 0.000 0.908 330 L HN 0.409 nan 8.230 nan 0.000 0.437 331 M N -1.644 118.009 119.600 0.088 0.000 2.175 331 M HA -0.258 4.221 4.480 -0.001 0.000 0.264 331 M C 2.343 178.734 176.300 0.151 0.000 1.063 331 M CA 1.701 57.057 55.300 0.093 0.000 1.119 331 M CB -0.134 32.507 32.600 0.068 0.000 1.377 331 M HN 0.175 nan 8.290 nan 0.000 0.415 332 Y N 1.124 121.433 120.300 0.015 0.000 2.114 332 Y HA -0.197 4.352 4.550 -0.001 0.000 0.284 332 Y C 1.868 177.799 175.900 0.051 0.000 1.143 332 Y CA 1.750 59.860 58.100 0.017 0.000 1.135 332 Y CB -0.719 37.751 38.460 0.016 0.000 0.980 332 Y HN 0.178 nan 8.280 nan 0.000 0.499 333 L N -0.381 120.919 121.223 0.128 0.000 2.081 333 L HA -0.303 4.037 4.340 -0.001 0.000 0.212 333 L C 2.678 179.613 176.870 0.109 0.000 1.080 333 L CA 1.592 56.529 54.840 0.162 0.000 0.754 333 L CB -0.546 41.680 42.059 0.279 0.000 0.893 333 L HN 0.156 nan 8.230 nan 0.000 0.433 334 R N -0.249 120.303 120.500 0.086 0.000 2.096 334 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 334 R C 2.296 178.587 176.300 -0.015 0.000 1.127 334 R CA 1.309 57.442 56.100 0.055 0.000 0.968 334 R CB -0.462 29.871 30.300 0.054 0.000 0.861 334 R HN 0.457 nan 8.270 nan 0.000 0.440 335 G N 0.223 108.985 108.800 -0.064 0.000 2.421 335 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.217 335 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.217 335 G C 1.354 176.101 174.900 -0.256 0.000 1.143 335 G CA 0.138 45.150 45.100 -0.147 0.000 0.784 335 G HN 0.159 nan 8.290 nan 0.000 0.541 336 L N -0.639 120.400 121.223 -0.306 0.000 2.341 336 L HA 0.162 4.501 4.340 -0.001 0.000 0.214 336 L C 0.837 177.453 176.870 -0.424 0.000 1.115 336 L CA 0.180 54.740 54.840 -0.466 0.000 0.820 336 L CB -0.121 41.560 42.059 -0.630 0.000 0.944 336 L HN 0.141 nan 8.230 nan 0.000 0.452 337 K N -0.167 120.104 120.400 -0.215 0.000 3.451 337 K HA -0.245 4.074 4.320 -0.001 0.000 0.273 337 K C 0.507 176.985 176.600 -0.204 0.000 0.944 337 K CA 0.087 56.286 56.287 -0.146 0.000 0.734 337 K CB -1.703 30.722 32.500 -0.125 0.000 1.437 337 K HN 0.081 nan 8.250 nan 0.000 0.454 338 F N 1.302 121.151 119.950 -0.168 0.000 2.236 338 F HA -0.255 4.271 4.527 -0.001 0.000 0.302 338 F C 2.301 177.962 175.800 -0.231 0.000 1.073 338 F CA 1.914 59.789 58.000 -0.208 0.000 1.336 338 F CB -0.268 38.550 39.000 -0.303 0.000 1.040 338 F HN 0.486 nan 8.300 nan 0.000 0.507 339 N N 0.963 119.601 118.700 -0.104 0.000 2.443 339 N HA -0.193 4.546 4.740 -0.001 0.000 0.184 339 N C 1.472 176.951 175.510 -0.052 0.000 1.037 339 N CA 0.883 53.872 53.050 -0.102 0.000 0.896 339 N CB -0.628 37.798 38.487 -0.101 0.000 0.959 339 N HN 0.358 nan 8.380 nan 0.000 0.442 340 R N 0.180 120.648 120.500 -0.053 0.000 2.280 340 R HA -0.005 4.334 4.340 -0.001 0.000 0.207 340 R C 1.736 178.031 176.300 -0.007 0.000 1.043 340 R CA 1.515 57.592 56.100 -0.039 0.000 1.006 340 R CB -0.021 30.240 30.300 -0.065 0.000 0.885 340 R HN 0.571 nan 8.270 nan 0.000 0.467 341 T N -2.588 111.977 114.554 0.019 0.000 3.071 341 T HA 0.185 4.535 4.350 -0.001 0.000 0.239 341 T C 0.325 175.053 174.700 0.047 0.000 0.997 341 T CA -0.083 62.053 62.100 0.059 0.000 1.134 341 T CB 0.388 69.330 68.868 0.123 0.000 0.928 341 T HN 0.045 nan 8.240 nan 0.000 0.453 342 L N 1.172 122.415 121.223 0.033 0.000 2.611 342 L HA 0.499 4.838 4.340 -0.001 0.000 0.260 342 L C -1.422 175.418 176.870 -0.050 0.000 0.924 342 L CA -0.325 54.519 54.840 0.007 0.000 0.901 342 L CB 1.949 44.026 42.059 0.030 0.000 1.369 342 L HN 0.062 nan 8.230 nan 0.000 0.415 343 T N 4.839 119.360 114.554 -0.056 0.000 2.848 343 T HA 0.370 4.719 4.350 -0.001 0.000 0.283 343 T C 0.375 175.031 174.700 -0.072 0.000 0.919 343 T CA -0.145 61.896 62.100 -0.099 0.000 1.071 343 T CB -0.424 68.415 68.868 -0.049 0.000 0.912 343 T HN 0.474 nan 8.240 nan 0.000 0.570 344 R N 2.604 123.018 120.500 -0.142 0.000 2.539 344 R HA 0.283 4.623 4.340 -0.001 0.000 0.275 344 R C 0.450 176.839 176.300 0.150 0.000 1.077 344 R CA -0.785 55.320 56.100 0.009 0.000 1.097 344 R CB 0.568 30.888 30.300 0.034 0.000 1.018 344 R HN 0.275 nan 8.270 nan 0.000 0.483 345 K N 1.172 121.657 120.400 0.142 0.000 2.202 345 K HA 0.379 4.698 4.320 -0.001 0.000 0.264 345 K C -0.415 176.299 176.600 0.189 0.000 1.010 345 K CA -0.189 56.182 56.287 0.140 0.000 0.940 345 K CB 1.515 34.065 32.500 0.083 0.000 0.983 345 K HN 0.710 nan 8.250 nan 0.000 0.475 346 A N 2.293 125.204 122.820 0.152 0.000 2.427 346 A HA 0.518 4.838 4.320 -0.001 0.000 0.298 346 A C -1.499 176.128 177.584 0.073 0.000 1.036 346 A CA -0.770 51.321 52.037 0.090 0.000 0.701 346 A CB 1.126 20.147 19.000 0.035 0.000 1.250 346 A HN 0.504 nan 8.150 nan 0.000 0.412 347 L N 3.546 124.814 121.223 0.076 0.000 2.307 347 L HA 0.788 5.127 4.340 -0.001 0.000 0.284 347 L C -0.236 176.734 176.870 0.166 0.000 1.023 347 L CA -0.398 54.507 54.840 0.108 0.000 0.810 347 L CB 1.731 43.848 42.059 0.097 0.000 1.231 347 L HN 0.919 nan 8.230 nan 0.000 0.423 348 V N 2.974 122.978 119.914 0.151 0.000 2.667 348 V HA 0.837 4.956 4.120 -0.001 0.000 0.308 348 V C -0.603 175.634 176.094 0.239 0.000 1.048 348 V CA -0.542 61.834 62.300 0.128 0.000 0.928 348 V CB 1.232 33.070 31.823 0.024 0.000 1.004 348 V HN 0.876 nan 8.190 nan 0.000 0.444 349 F N 0.527 120.490 119.950 0.022 0.000 2.741 349 F HA 1.058 5.585 4.527 -0.001 0.000 0.313 349 F C -0.202 175.619 175.800 0.035 0.000 1.153 349 F CA -0.241 57.775 58.000 0.025 0.000 0.931 349 F CB 1.466 40.478 39.000 0.019 0.000 1.335 349 F HN 1.171 nan 8.300 nan 0.000 0.460 350 G N 0.296 109.202 108.800 0.177 0.000 2.377 350 G HA2 0.450 4.409 3.960 -0.001 0.000 0.297 350 G HA3 0.450 4.409 3.960 -0.001 0.000 0.297 350 G C -2.179 172.786 174.900 0.109 0.000 1.547 350 G CA -0.468 44.670 45.100 0.063 0.000 0.833 350 G HN 0.889 nan 8.290 nan 0.000 0.583 351 S N -0.862 114.892 115.700 0.090 0.000 2.646 351 S HA 0.875 5.344 4.470 -0.001 0.000 0.276 351 S C 0.097 174.725 174.600 0.047 0.000 1.222 351 S CA 0.144 58.391 58.200 0.078 0.000 1.014 351 S CB 0.835 64.090 63.200 0.091 0.000 0.991 351 S HN 1.449 nan 8.310 nan 0.000 0.533 352 M N 1.548 121.156 119.600 0.013 0.000 2.773 352 M HA 0.675 5.154 4.480 -0.001 0.000 0.270 352 M C -0.057 176.120 176.300 -0.205 0.000 1.238 352 M CA -0.470 54.814 55.300 -0.026 0.000 0.832 352 M CB 0.893 33.497 32.600 0.007 0.000 1.672 352 M HN 0.453 nan 8.290 nan 0.000 0.480 353 G N -1.466 107.200 108.800 -0.223 0.000 3.528 353 G HA2 0.609 4.568 3.960 -0.001 0.000 0.266 353 G HA3 0.609 4.568 3.960 -0.001 0.000 0.266 353 G C 0.085 174.923 174.900 -0.103 0.000 1.004 353 G CA 0.243 44.968 45.100 -0.626 0.000 0.853 353 G HN 1.215 nan 8.290 nan 0.000 0.501 354 G N 0.534 109.342 108.800 0.013 0.000 3.554 354 G HA2 0.077 4.037 3.960 -0.001 0.000 0.168 354 G HA3 0.077 4.037 3.960 -0.001 0.000 0.168 354 G C 0.451 175.354 174.900 0.005 0.000 1.271 354 G CA 0.040 45.167 45.100 0.045 0.000 1.339 354 G HN 0.123 nan 8.290 nan 0.000 0.731 355 N N 0.716 119.425 118.700 0.015 0.000 2.463 355 N HA 0.313 5.052 4.740 -0.001 0.000 0.181 355 N C 1.302 176.817 175.510 0.009 0.000 1.078 355 N CA 0.513 53.567 53.050 0.006 0.000 0.902 355 N CB 0.601 39.099 38.487 0.019 0.000 0.970 355 N HN 0.883 nan 8.380 nan 0.000 0.451 356 G N 0.102 108.910 108.800 0.015 0.000 2.598 356 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.269 356 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.269 356 G C 0.627 175.540 174.900 0.021 0.000 1.289 356 G CA 0.036 45.147 45.100 0.017 0.000 0.926 356 G HN 0.595 nan 8.290 nan 0.000 0.567 357 G N -3.205 105.606 108.800 0.020 0.000 2.797 357 G HA2 0.287 4.246 3.960 -0.001 0.000 0.195 357 G HA3 0.287 4.246 3.960 -0.001 0.000 0.195 357 G C 1.746 176.656 174.900 0.016 0.000 1.026 357 G CA 1.397 46.509 45.100 0.020 0.000 0.759 357 G HN 2.306 nan 8.290 nan 0.000 0.475 358 A N 0.937 123.765 122.820 0.014 0.000 1.892 358 A HA 0.029 4.348 4.320 -0.001 0.000 0.218 358 A C 2.699 180.280 177.584 -0.005 0.000 1.188 358 A CA 3.686 55.726 52.037 0.005 0.000 0.631 358 A CB -1.320 17.681 19.000 0.003 0.000 0.822 358 A HN 1.482 nan 8.150 nan 0.000 0.447 359 T N -2.676 111.879 114.554 0.001 0.000 2.821 359 T HA 0.039 4.388 4.350 -0.001 0.000 0.267 359 T C 1.930 176.636 174.700 0.011 0.000 1.046 359 T CA 1.554 63.656 62.100 0.003 0.000 1.139 359 T CB -1.005 67.879 68.868 0.027 0.000 0.871 359 T HN 0.458 nan 8.240 nan 0.000 0.454 360 G N 1.206 110.015 108.800 0.016 0.000 2.418 360 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.217 360 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.217 360 G C 1.705 176.614 174.900 0.015 0.000 1.158 360 G CA 1.391 46.502 45.100 0.018 0.000 0.771 360 G HN 0.530 nan 8.290 nan 0.000 0.545 361 T N 1.273 115.834 114.554 0.011 0.000 2.770 361 T HA -0.039 4.311 4.350 -0.001 0.000 0.263 361 T C 2.558 177.261 174.700 0.005 0.000 1.039 361 T CA 1.243 63.349 62.100 0.010 0.000 1.142 361 T CB -0.216 68.657 68.868 0.009 0.000 0.868 361 T HN 0.175 nan 8.240 nan 0.000 0.435 362 M N 0.914 120.510 119.600 -0.006 0.000 2.149 362 M HA -0.142 4.337 4.480 -0.001 0.000 0.261 362 M C 2.375 178.671 176.300 -0.006 0.000 1.064 362 M CA 1.574 56.863 55.300 -0.019 0.000 1.102 362 M CB -0.417 32.154 32.600 -0.049 0.000 1.369 362 M HN 0.169 nan 8.290 nan 0.000 0.408 363 K N 0.948 121.353 120.400 0.008 0.000 2.002 363 K HA -0.232 4.087 4.320 -0.001 0.000 0.209 363 K C 1.913 178.534 176.600 0.035 0.000 1.048 363 K CA 1.885 58.187 56.287 0.024 0.000 0.930 363 K CB -0.219 32.300 32.500 0.030 0.000 0.714 363 K HN 0.361 nan 8.250 nan 0.000 0.438 364 E N 0.627 120.845 120.200 0.030 0.000 2.085 364 E HA -0.225 4.125 4.350 -0.001 0.000 0.194 364 E C 2.002 178.627 176.600 0.041 0.000 0.994 364 E CA 1.457 57.878 56.400 0.035 0.000 0.801 364 E CB -0.106 29.610 29.700 0.027 0.000 0.743 364 E HN 0.425 nan 8.360 nan 0.000 0.453 365 L N 0.413 121.656 121.223 0.034 0.000 2.179 365 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 365 L C 2.588 179.498 176.870 0.066 0.000 1.096 365 L CA 0.349 55.213 54.840 0.041 0.000 0.779 365 L CB -0.191 41.883 42.059 0.025 0.000 0.922 365 L HN 0.226 nan 8.230 nan 0.000 0.443 366 L N -0.328 120.928 121.223 0.055 0.000 2.093 366 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 366 L C 2.897 179.893 176.870 0.210 0.000 1.085 366 L CA 1.017 55.916 54.840 0.098 0.000 0.755 366 L CB -0.599 41.461 42.059 0.001 0.000 0.904 366 L HN 0.236 nan 8.230 nan 0.000 0.435 367 A N 0.056 122.959 122.820 0.139 0.000 1.892 367 A HA -0.271 4.048 4.320 -0.001 0.000 0.218 367 A C 2.119 179.772 177.584 0.114 0.000 1.188 367 A CA 1.959 54.072 52.037 0.126 0.000 0.631 367 A CB -0.524 18.525 19.000 0.081 0.000 0.822 367 A HN 0.461 nan 8.150 nan 0.000 0.447 368 E N -0.695 119.563 120.200 0.098 0.000 2.204 368 E HA -0.050 4.299 4.350 -0.001 0.000 0.195 368 E C 1.817 178.476 176.600 0.100 0.000 0.990 368 E CA 0.810 57.258 56.400 0.080 0.000 0.821 368 E CB -0.185 29.553 29.700 0.064 0.000 0.750 368 E HN 0.627 nan 8.360 nan 0.000 0.477 369 A N -0.111 122.810 122.820 0.168 0.000 2.275 369 A HA 0.353 4.673 4.320 -0.001 0.000 0.212 369 A C 1.369 179.077 177.584 0.207 0.000 1.201 369 A CA 0.598 52.766 52.037 0.219 0.000 0.843 369 A CB 0.135 19.320 19.000 0.308 0.000 0.873 369 A HN 0.264 nan 8.150 nan 0.000 0.492 370 G N -1.439 107.441 108.800 0.133 0.000 2.167 370 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.194 370 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.194 370 G C -0.259 174.489 174.900 -0.253 0.000 1.027 370 G CA -0.158 44.910 45.100 -0.053 0.000 0.717 370 G HN 0.287 nan 8.290 nan 0.000 0.501 371 F N 0.102 120.082 119.950 0.051 0.000 2.507 371 F HA 0.574 5.100 4.527 -0.002 0.000 0.327 371 F C 0.317 176.137 175.800 0.033 0.000 1.068 371 F CA -1.048 56.975 58.000 0.039 0.000 0.965 371 F CB 1.685 40.702 39.000 0.029 0.000 1.192 371 F HN -0.012 nan 8.300 nan 0.000 0.476 372 D N 2.355 122.872 120.400 0.195 0.000 2.411 372 D HA 0.255 4.894 4.640 -0.001 0.000 0.225 372 D C -0.938 175.441 176.300 0.132 0.000 1.156 372 D CA -0.063 54.010 54.000 0.123 0.000 0.874 372 D CB 0.754 41.602 40.800 0.081 0.000 1.034 372 D HN 0.149 nan 8.370 nan 0.000 0.502 373 V N 3.138 123.121 119.914 0.113 0.000 2.385 373 V HA 0.534 4.654 4.120 -0.001 0.000 0.269 373 V C 0.940 177.076 176.094 0.070 0.000 1.043 373 V CA -0.625 61.731 62.300 0.093 0.000 0.906 373 V CB 0.916 32.786 31.823 0.078 0.000 0.995 373 V HN 0.656 nan 8.190 nan 0.000 0.467 374 A N 4.903 127.762 122.820 0.065 0.000 2.985 374 A HA 0.691 5.010 4.320 -0.001 0.000 0.303 374 A C 0.228 177.841 177.584 0.048 0.000 1.048 374 A CA 0.200 52.268 52.037 0.052 0.000 1.016 374 A CB -0.261 18.769 19.000 0.049 0.000 1.118 374 A HN 1.842 nan 8.150 nan 0.000 0.529 375 C N -2.178 117.153 119.300 0.051 0.000 0.483 375 C HA 0.317 4.777 4.460 -0.001 0.000 0.041 375 C C -1.044 173.985 174.990 0.066 0.000 0.212 375 C CA -0.535 58.514 59.018 0.051 0.000 0.524 375 C CB -0.431 27.335 27.740 0.044 0.000 3.177 375 C HN 1.421 nan 8.230 nan 0.000 1.099 376 E N 0.481 120.722 120.200 0.068 0.000 2.343 376 E HA 0.554 4.903 4.350 -0.001 0.000 0.288 376 E C -1.462 175.191 176.600 0.089 0.000 0.907 376 E CA -0.209 56.242 56.400 0.084 0.000 0.792 376 E CB 1.544 31.282 29.700 0.062 0.000 1.275 376 E HN 0.637 nan 8.360 nan 0.000 0.402 377 E N 3.473 123.752 120.200 0.131 0.000 2.114 377 E HA 0.253 4.602 4.350 -0.001 0.000 0.266 377 E C -1.182 175.504 176.600 0.143 0.000 0.896 377 E CA -0.373 56.099 56.400 0.120 0.000 0.750 377 E CB 1.813 31.578 29.700 0.107 0.000 1.121 377 E HN 0.541 nan 8.360 nan 0.000 0.413 378 E N 2.261 122.521 120.200 0.099 0.000 2.222 378 E HA 0.498 4.848 4.350 -0.001 0.000 0.267 378 E C -1.310 175.343 176.600 0.088 0.000 0.884 378 E CA -0.750 55.706 56.400 0.092 0.000 0.764 378 E CB 1.778 31.517 29.700 0.064 0.000 1.169 378 E HN 0.113 nan 8.360 nan 0.000 0.413 379 V N 4.067 124.040 119.914 0.098 0.000 2.735 379 V HA 0.215 4.334 4.120 -0.001 0.000 0.310 379 V C -1.165 175.005 176.094 0.127 0.000 1.061 379 V CA -0.849 61.516 62.300 0.108 0.000 0.913 379 V CB 1.738 33.622 31.823 0.101 0.000 1.005 379 V HN 0.666 nan 8.190 nan 0.000 0.428 380 Y N 5.715 125.999 120.300 -0.026 0.000 2.404 380 Y HA 0.509 5.058 4.550 -0.001 0.000 0.344 380 Y C 0.257 176.160 175.900 0.006 0.000 0.995 380 Y CA -0.314 57.718 58.100 -0.114 0.000 1.201 380 Y CB -0.417 37.978 38.460 -0.110 0.000 1.151 380 Y HN 0.697 nan 8.280 nan 0.000 0.517 381 Y N 1.276 121.428 120.300 -0.246 0.000 2.864 381 Y HA -0.379 4.170 4.550 -0.001 0.000 0.468 381 Y C 0.280 176.116 175.900 -0.107 0.000 1.175 381 Y CA 0.489 58.428 58.100 -0.267 0.000 2.601 381 Y CB -1.856 36.296 38.460 -0.514 0.000 1.207 381 Y HN 0.295 nan 8.280 nan 0.000 0.627 382 V N 4.986 124.959 119.914 0.098 0.000 2.508 382 V HA 0.224 4.343 4.120 -0.001 0.000 0.281 382 V C -1.866 174.261 176.094 0.054 0.000 1.041 382 V CA -1.248 61.079 62.300 0.045 0.000 1.016 382 V CB 0.781 32.604 31.823 -0.001 0.000 0.984 382 V HN 0.325 nan 8.190 nan 0.000 0.478 383 P HA 0.134 nan 4.420 nan 0.000 0.268 383 P C 0.162 177.481 177.300 0.032 0.000 1.205 383 P CA -0.009 63.119 63.100 0.046 0.000 0.771 383 P CB 0.399 32.120 31.700 0.035 0.000 0.858 384 T N -1.084 113.492 114.554 0.038 0.000 2.732 384 T HA 0.280 4.630 4.350 -0.001 0.000 0.287 384 T C 1.821 176.529 174.700 0.013 0.000 0.993 384 T CA 0.071 62.186 62.100 0.026 0.000 0.966 384 T CB 0.022 68.909 68.868 0.032 0.000 1.047 384 T HN 0.421 nan 8.240 nan 0.000 0.527 385 G N -0.208 108.594 108.800 0.003 0.000 2.422 385 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.218 385 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.218 385 G C 1.196 176.091 174.900 -0.008 0.000 1.146 385 G CA 0.574 45.669 45.100 -0.009 0.000 0.769 385 G HN 0.816 nan 8.290 nan 0.000 0.547 386 D N 0.582 120.982 120.400 0.000 0.000 2.149 386 D HA -0.053 4.586 4.640 -0.001 0.000 0.201 386 D C 2.333 178.641 176.300 0.014 0.000 0.972 386 D CA 0.785 54.786 54.000 0.002 0.000 0.835 386 D CB -0.056 40.748 40.800 0.006 0.000 0.966 386 D HN 0.448 nan 8.370 nan 0.000 0.476 387 E N 0.425 120.639 120.200 0.023 0.000 2.150 387 E HA -0.052 4.297 4.350 -0.001 0.000 0.193 387 E C 2.345 178.961 176.600 0.027 0.000 0.985 387 E CA 0.222 56.642 56.400 0.032 0.000 0.814 387 E CB 0.078 29.804 29.700 0.044 0.000 0.752 387 E HN 0.251 nan 8.360 nan 0.000 0.466 388 L N 1.098 122.333 121.223 0.019 0.000 2.093 388 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 388 L C 1.824 178.720 176.870 0.043 0.000 1.085 388 L CA 0.835 55.687 54.840 0.020 0.000 0.755 388 L CB -0.275 41.789 42.059 0.008 0.000 0.904 388 L HN 0.071 nan 8.230 nan 0.000 0.435 389 D N 0.337 120.749 120.400 0.020 0.000 2.144 389 D HA -0.153 4.486 4.640 -0.001 0.000 0.199 389 D C 2.219 178.572 176.300 0.090 0.000 0.984 389 D CA 1.453 55.464 54.000 0.019 0.000 0.834 389 D CB -0.004 40.772 40.800 -0.041 0.000 0.955 389 D HN 0.297 nan 8.370 nan 0.000 0.465 390 A N 0.186 123.041 122.820 0.058 0.000 1.930 390 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 390 A C 2.495 180.113 177.584 0.055 0.000 1.175 390 A CA 1.063 53.136 52.037 0.059 0.000 0.627 390 A CB -0.858 18.166 19.000 0.040 0.000 0.815 390 A HN 0.331 nan 8.150 nan 0.000 0.443 391 C N -1.981 117.341 119.300 0.037 0.000 2.429 391 C HA -0.081 4.378 4.460 -0.001 0.000 0.277 391 C C 2.395 177.386 174.990 0.003 0.000 1.262 391 C CA 0.969 59.973 59.018 -0.024 0.000 1.733 391 C CB -1.635 26.059 27.740 -0.077 0.000 2.010 391 C HN 0.712 nan 8.230 nan 0.000 0.483 392 F N 2.337 122.240 119.950 -0.077 0.000 2.069 392 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 392 F C 2.424 178.193 175.800 -0.052 0.000 1.113 392 F CA 2.381 60.342 58.000 -0.065 0.000 1.214 392 F CB -0.368 38.605 39.000 -0.046 0.000 0.978 392 F HN 0.163 nan 8.300 nan 0.000 0.474 393 E N 0.919 121.288 120.200 0.281 0.000 2.118 393 E HA -0.196 4.154 4.350 -0.001 0.000 0.195 393 E C 2.062 178.666 176.600 0.008 0.000 0.992 393 E CA 1.592 58.091 56.400 0.164 0.000 0.804 393 E CB -0.660 29.126 29.700 0.144 0.000 0.741 393 E HN 0.440 nan 8.360 nan 0.000 0.458 394 A N 0.069 122.882 122.820 -0.012 0.000 1.898 394 A HA 0.010 4.329 4.320 -0.001 0.000 0.216 394 A C 2.479 180.009 177.584 -0.090 0.000 1.181 394 A CA 1.691 53.706 52.037 -0.037 0.000 0.620 394 A CB -1.232 17.749 19.000 -0.032 0.000 0.819 394 A HN 0.412 nan 8.150 nan 0.000 0.442 395 G N -0.665 108.036 108.800 -0.165 0.000 2.402 395 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.216 395 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.216 395 G C 1.735 176.504 174.900 -0.219 0.000 1.162 395 G CA 0.955 45.929 45.100 -0.210 0.000 0.777 395 G HN 0.543 nan 8.290 nan 0.000 0.539 396 R N 0.604 120.931 120.500 -0.288 0.000 2.073 396 R HA -0.052 4.287 4.340 -0.001 0.000 0.234 396 R C 2.476 178.713 176.300 -0.104 0.000 1.134 396 R CA 1.574 57.533 56.100 -0.235 0.000 0.952 396 R CB -0.272 29.902 30.300 -0.209 0.000 0.850 396 R HN 0.245 nan 8.270 nan 0.000 0.433 397 K N 0.335 120.697 120.400 -0.063 0.000 2.097 397 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 397 K C 2.141 178.725 176.600 -0.025 0.000 1.049 397 K CA 1.190 57.461 56.287 -0.026 0.000 0.933 397 K CB -0.254 32.242 32.500 -0.007 0.000 0.717 397 K HN 0.131 nan 8.250 nan 0.000 0.442 398 L N 1.172 122.374 121.223 -0.037 0.000 2.017 398 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 398 L C 2.278 179.134 176.870 -0.022 0.000 1.073 398 L CA 1.881 56.709 54.840 -0.020 0.000 0.745 398 L CB -0.632 41.413 42.059 -0.024 0.000 0.894 398 L HN 0.122 nan 8.230 nan 0.000 0.432 399 A N -0.674 122.117 122.820 -0.048 0.000 1.933 399 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 399 A C 2.423 179.991 177.584 -0.026 0.000 1.175 399 A CA 1.774 53.786 52.037 -0.042 0.000 0.628 399 A CB -1.160 17.796 19.000 -0.072 0.000 0.814 399 A HN 0.570 nan 8.150 nan 0.000 0.444 400 A N 0.032 122.836 122.820 -0.028 0.000 1.972 400 A HA -0.127 4.192 4.320 -0.001 0.000 0.219 400 A C 1.934 179.516 177.584 -0.003 0.000 1.169 400 A CA 2.030 54.059 52.037 -0.013 0.000 0.635 400 A CB -0.434 18.560 19.000 -0.010 0.000 0.810 400 A HN 0.657 nan 8.150 nan 0.000 0.446 401 E N 0.623 120.823 120.200 0.000 0.000 2.208 401 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 401 E C 1.383 177.990 176.600 0.011 0.000 0.988 401 E CA 1.487 57.892 56.400 0.008 0.000 0.828 401 E CB -0.474 29.234 29.700 0.014 0.000 0.763 401 E HN 0.728 nan 8.360 nan 0.000 0.478 402 I N -1.856 118.720 120.570 0.010 0.000 3.793 402 I HA 0.257 4.426 4.170 -0.001 0.000 0.315 402 I C 0.791 176.916 176.117 0.012 0.000 1.275 402 I CA -0.223 61.086 61.300 0.015 0.000 1.214 402 I CB -0.048 37.964 38.000 0.020 0.000 1.018 402 I HN -0.162 nan 8.210 nan 0.000 0.439 403 R N 0.000 120.505 120.500 0.008 0.000 2.786 403 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 403 R CA 0.000 56.104 56.100 0.007 0.000 0.921 403 R CB 0.000 30.302 30.300 0.003 0.000 0.687 403 R HN 0.000 nan 8.270 nan 0.000 0.535