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 3c48_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVAMISMHT SPLQQXXXXX XXGMNVYILS TATELAKQGI EVDIYTRATR DATA SEQUENCE PSQGEIVRVA ENLRVINIAA GPYEGLSKEE LPTQLAAFTG GMLSFTRREK DATA SEQUENCE VTYDLIHSHY WLSGQVGWLL RDLWRIPLIH TAHTLAAVKX XXXXXXXTPE DATA SEQUENCE SEARRICEQQ LVDNADVLAV NTQEEMQDLM HHYDADPDRI SVVSPGADVE DATA SEQUENCE LYSPGNDRAT ERSRRELGIP LHTKVVAFVG RLQPFKGPQV LIKAVAALFD DATA SEQUENCE RDPDRNLRVI ICGGPSXXXX XXXTYRHMAE ELGVEKRIRF LDPRPPSELV DATA SEQUENCE AVYRAADIVA VPSFNESFGL VAMEAQASGT PVIAARVGGL PIAVAEGETG DATA SEQUENCE LLVDGHSPHA WADALATLLD DDETRIRMGE DAVEHARTFS WAATAAQLSS DATA SEQUENCE LYNDAIANEN VDGETHHG 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 0.000 176.359 176.300 0.098 0.000 1.140 1 M CA 0.000 55.353 55.300 0.088 0.000 0.988 1 M CB 0.000 32.677 32.600 0.128 0.000 1.302 2 R N 2.619 123.177 120.500 0.098 0.000 2.409 2 R HA 0.738 5.076 4.340 -0.004 0.000 0.313 2 R C -1.420 175.028 176.300 0.247 0.000 0.953 2 R CA -0.756 55.433 56.100 0.148 0.000 0.849 2 R CB 2.313 32.637 30.300 0.040 0.000 1.171 2 R HN 0.370 nan 8.270 nan 0.000 0.458 3 V N 2.162 122.237 119.914 0.269 0.000 2.495 3 V HA 0.592 4.710 4.120 -0.004 0.000 0.298 3 V C -0.158 176.011 176.094 0.124 0.000 1.031 3 V CA -0.863 61.531 62.300 0.156 0.000 0.871 3 V CB 1.806 33.675 31.823 0.077 0.000 0.988 3 V HN 0.893 nan 8.190 nan 0.000 0.432 4 A N 6.824 129.577 122.820 -0.112 0.000 2.252 4 A HA 0.764 5.082 4.320 -0.004 0.000 0.309 4 A C -0.229 177.382 177.584 0.045 0.000 1.285 4 A CA -0.411 51.460 52.037 -0.278 0.000 0.900 4 A CB 0.301 18.855 19.000 -0.743 0.000 1.157 4 A HN 0.816 nan 8.150 nan 0.000 0.536 5 M N 2.591 122.288 119.600 0.161 0.000 2.318 5 M HA 0.478 4.956 4.480 -0.004 0.000 0.347 5 M C -0.813 175.668 176.300 0.302 0.000 1.175 5 M CA 0.001 55.452 55.300 0.252 0.000 1.075 5 M CB 1.351 34.105 32.600 0.257 0.000 1.614 5 M HN 0.537 nan 8.290 nan 0.000 0.456 6 I N 1.176 121.948 120.570 0.337 0.000 2.418 6 I HA 0.256 4.423 4.170 -0.004 0.000 0.287 6 I C -0.112 176.205 176.117 0.332 0.000 1.008 6 I CA -0.297 61.205 61.300 0.337 0.000 1.104 6 I CB 1.918 40.090 38.000 0.286 0.000 1.264 6 I HN 0.574 nan 8.210 nan 0.000 0.438 7 S N 6.577 122.417 115.700 0.235 0.000 2.300 7 S HA 0.231 4.699 4.470 -0.004 0.000 0.172 7 S C 0.938 175.533 174.600 -0.008 0.000 1.484 7 S CA -0.567 57.698 58.200 0.109 0.000 1.265 7 S CB 0.330 63.518 63.200 -0.019 0.000 1.313 7 S HN 0.786 nan 8.310 nan 0.000 0.387 8 M N 2.507 122.062 119.600 -0.075 0.000 2.088 8 M HA -0.185 4.293 4.480 -0.004 0.000 0.256 8 M C 2.059 178.177 176.300 -0.303 0.000 1.071 8 M CA 2.261 57.270 55.300 -0.484 0.000 1.097 8 M CB -0.378 31.753 32.600 -0.783 0.000 1.315 8 M HN 0.836 nan 8.290 nan 0.000 0.406 9 H N -2.361 116.545 119.070 -0.273 0.000 2.548 9 H HA 0.192 4.746 4.556 -0.004 0.000 0.265 9 H C -0.194 175.023 175.328 -0.185 0.000 0.969 9 H CA 1.074 56.985 56.048 -0.227 0.000 1.155 9 H CB -0.317 29.320 29.762 -0.210 0.000 1.394 9 H HN 0.315 nan 8.280 nan 0.000 0.570 10 T N 0.339 114.505 114.554 -0.647 0.000 3.105 10 T HA 0.283 4.631 4.350 -0.004 0.000 0.321 10 T C -1.297 173.204 174.700 -0.331 0.000 1.135 10 T CA -0.540 61.231 62.100 -0.548 0.000 1.053 10 T CB 1.612 70.006 68.868 -0.790 0.000 1.133 10 T HN 0.278 nan 8.240 nan 0.000 0.463 11 S N 5.010 120.577 115.700 -0.223 0.000 2.523 11 S HA 0.416 4.884 4.470 -0.004 0.000 0.275 11 S C -1.236 173.262 174.600 -0.170 0.000 1.281 11 S CA -1.544 56.561 58.200 -0.159 0.000 1.050 11 S CB 0.972 64.105 63.200 -0.111 0.000 0.937 11 S HN 0.652 nan 8.310 nan 0.000 0.492 12 P HA 0.001 nan 4.420 nan 0.000 0.237 12 P C 0.851 178.066 177.300 -0.141 0.000 1.178 12 P CA 0.258 63.258 63.100 -0.165 0.000 0.766 12 P CB 0.160 31.766 31.700 -0.157 0.000 0.876 13 L N -0.288 120.862 121.223 -0.121 0.000 2.558 13 L HA 0.075 4.413 4.340 -0.004 0.000 0.225 13 L C 1.575 178.386 176.870 -0.098 0.000 1.128 13 L CA 0.783 55.562 54.840 -0.103 0.000 0.868 13 L CB -1.032 40.973 42.059 -0.089 0.000 1.006 13 L HN 0.127 nan 8.230 nan 0.000 0.454 14 Q N -0.961 118.775 119.800 -0.107 0.000 2.260 14 Q HA 0.295 4.633 4.340 -0.004 0.000 0.242 14 Q C -0.372 175.571 176.000 -0.096 0.000 0.932 14 Q CA -0.782 54.963 55.803 -0.096 0.000 0.891 14 Q CB 0.861 29.541 28.738 -0.097 0.000 1.222 14 Q HN 0.090 nan 8.270 nan 0.000 0.453 24 M N 1.207 120.718 119.600 -0.149 0.000 2.132 24 M HA 0.154 4.632 4.480 -0.004 0.000 0.263 24 M C 1.941 178.061 176.300 -0.301 0.000 1.065 24 M CA 2.239 57.306 55.300 -0.389 0.000 1.122 24 M CB -0.608 31.615 32.600 -0.627 0.000 1.365 24 M HN 0.295 nan 8.290 nan 0.000 0.411 25 N N 0.235 118.787 118.700 -0.246 0.000 2.036 25 N HA -0.211 4.527 4.740 -0.004 0.000 0.195 25 N C 1.839 177.227 175.510 -0.205 0.000 1.037 25 N CA 1.898 54.812 53.050 -0.226 0.000 0.855 25 N CB -0.423 37.948 38.487 -0.194 0.000 1.033 25 N HN 0.491 nan 8.380 nan 0.000 0.423 26 V N -0.642 119.170 119.914 -0.171 0.000 2.548 26 V HA -0.185 3.933 4.120 -0.004 0.000 0.249 26 V C 1.827 177.673 176.094 -0.413 0.000 1.055 26 V CA 1.181 63.332 62.300 -0.249 0.000 1.065 26 V CB -0.952 30.760 31.823 -0.186 0.000 0.681 26 V HN 0.337 nan 8.190 nan 0.000 0.462 27 Y N 0.973 121.058 120.300 -0.359 0.000 2.128 27 Y HA -0.223 4.325 4.550 -0.003 0.000 0.284 27 Y C 2.235 177.932 175.900 -0.339 0.000 1.154 27 Y CA 2.713 60.623 58.100 -0.316 0.000 1.149 27 Y CB -0.124 38.403 38.460 0.112 0.000 0.976 27 Y HN 0.286 nan 8.280 nan 0.000 0.505 28 I N -0.459 120.061 120.570 -0.084 0.000 2.202 28 I HA -0.306 3.862 4.170 -0.004 0.000 0.242 28 I C 2.497 178.478 176.117 -0.226 0.000 1.091 28 I CA 1.050 62.219 61.300 -0.217 0.000 1.368 28 I CB -0.415 37.336 38.000 -0.416 0.000 1.058 28 I HN 0.315 nan 8.210 nan 0.000 0.410 29 L N 0.091 121.157 121.223 -0.260 0.000 2.017 29 L HA -0.212 4.126 4.340 -0.004 0.000 0.208 29 L C 2.684 179.379 176.870 -0.292 0.000 1.073 29 L CA 1.654 56.351 54.840 -0.240 0.000 0.745 29 L CB -0.196 41.724 42.059 -0.231 0.000 0.894 29 L HN 0.257 nan 8.230 nan 0.000 0.432 30 S N -0.637 114.766 115.700 -0.495 0.000 2.356 30 S HA -0.185 4.283 4.470 -0.004 0.000 0.223 30 S C 1.878 176.270 174.600 -0.346 0.000 1.032 30 S CA 1.853 59.685 58.200 -0.613 0.000 1.005 30 S CB -0.533 61.786 63.200 -1.468 0.000 0.867 30 S HN 0.686 nan 8.310 nan 0.000 0.449 31 T N 1.423 115.780 114.554 -0.328 0.000 2.708 31 T HA -0.009 4.338 4.350 -0.004 0.000 0.266 31 T C 1.972 176.668 174.700 -0.008 0.000 1.037 31 T CA 1.231 63.285 62.100 -0.076 0.000 1.146 31 T CB -0.722 68.091 68.868 -0.092 0.000 0.865 31 T HN 0.342 nan 8.240 nan 0.000 0.435 32 A N 1.660 124.461 122.820 -0.031 0.000 1.902 32 A HA -0.054 4.264 4.320 -0.004 0.000 0.217 32 A C 2.662 180.251 177.584 0.008 0.000 1.181 32 A CA 2.227 54.279 52.037 0.026 0.000 0.623 32 A CB -1.593 17.409 19.000 0.004 0.000 0.818 32 A HN 0.558 nan 8.150 nan 0.000 0.443 33 T N -0.015 114.511 114.554 -0.047 0.000 2.720 33 T HA -0.126 4.222 4.350 -0.004 0.000 0.268 33 T C 1.823 176.518 174.700 -0.009 0.000 1.037 33 T CA 1.588 63.662 62.100 -0.043 0.000 1.144 33 T CB -0.211 68.602 68.868 -0.091 0.000 0.864 33 T HN 0.483 nan 8.240 nan 0.000 0.444 34 E N 0.925 121.129 120.200 0.006 0.000 2.072 34 E HA 0.052 4.400 4.350 -0.004 0.000 0.190 34 E C 2.378 179.017 176.600 0.066 0.000 0.982 34 E CA 0.533 56.961 56.400 0.047 0.000 0.803 34 E CB -0.446 29.308 29.700 0.090 0.000 0.755 34 E HN 0.458 nan 8.360 nan 0.000 0.453 35 L N 0.743 122.014 121.223 0.080 0.000 2.042 35 L HA -0.205 4.133 4.340 -0.004 0.000 0.210 35 L C 2.553 179.481 176.870 0.096 0.000 1.076 35 L CA 1.453 56.358 54.840 0.108 0.000 0.749 35 L CB -0.579 41.582 42.059 0.170 0.000 0.893 35 L HN 0.064 nan 8.230 nan 0.000 0.432 36 A N -0.306 122.559 122.820 0.076 0.000 1.933 36 A HA -0.201 4.117 4.320 -0.004 0.000 0.218 36 A C 2.331 179.944 177.584 0.049 0.000 1.175 36 A CA 1.508 53.582 52.037 0.062 0.000 0.628 36 A CB -0.352 18.674 19.000 0.043 0.000 0.814 36 A HN 0.307 nan 8.150 nan 0.000 0.444 37 K N -0.371 120.054 120.400 0.042 0.000 2.103 37 K HA -0.185 4.132 4.320 -0.004 0.000 0.207 37 K C 1.923 178.554 176.600 0.052 0.000 1.048 37 K CA 1.650 57.961 56.287 0.040 0.000 0.930 37 K CB -0.187 32.335 32.500 0.037 0.000 0.716 37 K HN 0.632 nan 8.250 nan 0.000 0.444 38 Q N -0.682 119.155 119.800 0.063 0.000 2.515 38 Q HA -0.003 4.335 4.340 -0.004 0.000 0.212 38 Q C 0.844 176.882 176.000 0.063 0.000 0.970 38 Q CA 0.595 56.437 55.803 0.065 0.000 0.941 38 Q CB 0.434 29.215 28.738 0.072 0.000 0.998 38 Q HN 0.554 nan 8.270 nan 0.000 0.518 39 G N 1.179 110.015 108.800 0.061 0.000 2.157 39 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.248 39 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.248 39 G C 0.092 175.035 174.900 0.072 0.000 0.979 39 G CA -0.260 44.874 45.100 0.058 0.000 0.650 39 G HN 0.312 nan 8.290 nan 0.000 0.529 40 I N 1.280 121.905 120.570 0.093 0.000 2.441 40 I HA 0.250 4.418 4.170 -0.004 0.000 0.287 40 I C 0.663 176.850 176.117 0.115 0.000 1.049 40 I CA -0.300 61.072 61.300 0.121 0.000 1.381 40 I CB 0.904 39.008 38.000 0.173 0.000 1.409 40 I HN 0.104 nan 8.210 nan 0.000 0.523 41 E N 5.440 125.708 120.200 0.113 0.000 2.223 41 E HA 0.327 4.675 4.350 -0.004 0.000 0.282 41 E C -1.102 175.594 176.600 0.161 0.000 1.046 41 E CA -0.351 56.117 56.400 0.114 0.000 0.857 41 E CB 1.543 31.298 29.700 0.093 0.000 1.055 41 E HN 0.279 nan 8.360 nan 0.000 0.409 42 V N 4.107 124.108 119.914 0.144 0.000 2.487 42 V HA 0.195 4.313 4.120 -0.004 0.000 0.298 42 V C -0.579 175.592 176.094 0.129 0.000 1.028 42 V CA -0.934 61.460 62.300 0.156 0.000 0.860 42 V CB 1.847 33.751 31.823 0.134 0.000 0.991 42 V HN 0.601 nan 8.190 nan 0.000 0.427 43 D N 4.628 125.124 120.400 0.159 0.000 2.303 43 D HA 0.526 5.164 4.640 -0.004 0.000 0.236 43 D C -0.314 175.967 176.300 -0.031 0.000 1.068 43 D CA -0.078 53.940 54.000 0.030 0.000 0.830 43 D CB 2.235 43.093 40.800 0.096 0.000 1.109 43 D HN 0.368 nan 8.370 nan 0.000 0.496 44 I N 2.715 123.224 120.570 -0.102 0.000 2.304 44 I HA 0.180 4.347 4.170 -0.004 0.000 0.291 44 I C -0.404 175.639 176.117 -0.122 0.000 1.018 44 I CA -0.705 60.576 61.300 -0.031 0.000 1.260 44 I CB 0.452 38.434 38.000 -0.030 0.000 1.390 44 I HN 0.149 nan 8.210 nan 0.000 0.475 45 Y N 4.447 124.768 120.300 0.036 0.000 2.326 45 Y HA 0.469 5.016 4.550 -0.005 0.000 0.337 45 Y C 0.626 176.648 175.900 0.203 0.000 1.023 45 Y CA -0.065 58.081 58.100 0.077 0.000 1.143 45 Y CB 1.840 40.350 38.460 0.082 0.000 1.183 45 Y HN 0.456 nan 8.280 nan 0.000 0.485 46 T N 3.571 118.318 114.554 0.321 0.000 2.883 46 T HA 0.373 4.721 4.350 -0.004 0.000 0.301 46 T C -0.914 173.980 174.700 0.322 0.000 1.158 46 T CA -0.907 61.323 62.100 0.217 0.000 1.007 46 T CB 1.120 70.005 68.868 0.028 0.000 1.186 46 T HN 0.669 nan 8.240 nan 0.000 0.499 47 R N 1.480 122.048 120.500 0.113 0.000 2.537 47 R HA 0.538 4.876 4.340 -0.004 0.000 0.280 47 R C 0.042 176.422 176.300 0.134 0.000 1.058 47 R CA -0.183 56.011 56.100 0.157 0.000 1.057 47 R CB 0.311 30.585 30.300 -0.042 0.000 0.973 47 R HN 0.704 nan 8.270 nan 0.000 0.438 48 A N 2.653 125.579 122.820 0.177 0.000 2.454 48 A HA 0.155 4.472 4.320 -0.004 0.000 0.260 48 A C 0.837 178.605 177.584 0.306 0.000 1.106 48 A CA 0.183 52.352 52.037 0.219 0.000 0.780 48 A CB 0.349 19.521 19.000 0.288 0.000 1.044 48 A HN 0.937 nan 8.150 nan 0.000 0.498 49 T N -0.603 114.098 114.554 0.246 0.000 3.009 49 T HA 0.279 4.627 4.350 -0.004 0.000 0.267 49 T C 0.418 175.118 174.700 0.001 0.000 0.942 49 T CA -0.148 62.078 62.100 0.210 0.000 0.883 49 T CB 0.122 69.030 68.868 0.066 0.000 1.192 49 T HN 0.601 nan 8.240 nan 0.000 0.524 50 R N 1.661 122.070 120.500 -0.152 0.000 2.472 50 R HA 0.360 4.698 4.340 -0.004 0.000 0.294 50 R C -2.508 173.533 176.300 -0.432 0.000 1.243 50 R CA -1.897 54.029 56.100 -0.290 0.000 1.023 50 R CB 1.572 31.783 30.300 -0.147 0.000 1.157 50 R HN 0.013 nan 8.270 nan 0.000 0.530 51 P HA -0.302 nan 4.420 nan 0.000 0.217 51 P C 1.426 178.586 177.300 -0.232 0.000 1.158 51 P CA 1.751 64.492 63.100 -0.598 0.000 0.887 51 P CB 0.226 31.627 31.700 -0.500 0.000 0.792 52 S N -1.287 114.301 115.700 -0.188 0.000 2.469 52 S HA -0.211 4.257 4.470 -0.004 0.000 0.238 52 S C 1.933 176.486 174.600 -0.078 0.000 0.998 52 S CA 1.007 59.143 58.200 -0.106 0.000 0.957 52 S CB -1.067 62.077 63.200 -0.093 0.000 0.764 52 S HN 0.260 nan 8.310 nan 0.000 0.514 53 Q N 0.961 120.709 119.800 -0.087 0.000 2.311 53 Q HA 0.276 4.614 4.340 -0.004 0.000 0.203 53 Q C 1.386 177.368 176.000 -0.031 0.000 0.954 53 Q CA 0.356 56.126 55.803 -0.056 0.000 0.885 53 Q CB -0.386 28.318 28.738 -0.058 0.000 0.963 53 Q HN 0.783 nan 8.270 nan 0.000 0.471 54 G N 1.171 109.960 108.800 -0.019 0.000 2.645 54 G HA2 -0.393 3.565 3.960 -0.004 0.000 0.239 54 G HA3 -0.393 3.565 3.960 -0.004 0.000 0.239 54 G C 0.158 175.078 174.900 0.034 0.000 1.331 54 G CA 0.204 45.314 45.100 0.016 0.000 0.890 54 G HN 0.385 nan 8.290 nan 0.000 0.572 55 E N -0.933 119.299 120.200 0.054 0.000 2.086 55 E HA 0.166 4.514 4.350 -0.004 0.000 0.190 55 E C 0.994 177.594 176.600 -0.000 0.000 0.975 55 E CA 0.596 57.029 56.400 0.055 0.000 0.813 55 E CB 0.009 29.786 29.700 0.128 0.000 0.768 55 E HN 0.493 nan 8.360 nan 0.000 0.457 56 I N 1.901 122.488 120.570 0.028 0.000 2.389 56 I HA 0.229 4.397 4.170 -0.004 0.000 0.288 56 I C -1.102 175.009 176.117 -0.011 0.000 0.999 56 I CA -0.941 60.362 61.300 0.006 0.000 1.129 56 I CB 2.186 40.240 38.000 0.089 0.000 1.288 56 I HN -0.169 nan 8.210 nan 0.000 0.444 57 V N 6.747 126.635 119.914 -0.042 0.000 2.334 57 V HA 0.358 4.476 4.120 -0.004 0.000 0.281 57 V C 0.271 176.343 176.094 -0.036 0.000 1.016 57 V CA -0.740 61.537 62.300 -0.039 0.000 0.832 57 V CB 1.029 32.820 31.823 -0.053 0.000 0.999 57 V HN 0.646 nan 8.190 nan 0.000 0.439 58 R N 3.609 124.097 120.500 -0.021 0.000 2.272 58 R HA 0.259 4.597 4.340 -0.004 0.000 0.334 58 R C 0.588 176.874 176.300 -0.024 0.000 1.117 58 R CA -0.276 55.815 56.100 -0.016 0.000 0.966 58 R CB 0.982 31.279 30.300 -0.005 0.000 1.049 58 R HN 0.592 nan 8.270 nan 0.000 0.477 59 V N 1.689 121.585 119.914 -0.030 0.000 2.331 59 V HA 0.058 4.176 4.120 -0.004 0.000 0.242 59 V C 0.947 177.022 176.094 -0.031 0.000 1.034 59 V CA 1.718 63.996 62.300 -0.038 0.000 1.027 59 V CB -0.160 31.633 31.823 -0.049 0.000 0.667 59 V HN 0.852 nan 8.190 nan 0.000 0.457 60 A N -1.168 121.638 122.820 -0.023 0.000 2.588 60 A HA 0.531 4.848 4.320 -0.004 0.000 0.290 60 A C -0.570 177.011 177.584 -0.005 0.000 1.136 60 A CA -0.544 51.483 52.037 -0.017 0.000 0.681 60 A CB 0.820 19.806 19.000 -0.022 0.000 1.282 60 A HN 0.188 nan 8.150 nan 0.000 0.421 61 E N 0.782 120.981 120.200 -0.001 0.000 2.529 61 E HA 0.026 4.374 4.350 -0.004 0.000 0.259 61 E C -0.072 176.538 176.600 0.016 0.000 0.966 61 E CA 0.982 57.387 56.400 0.008 0.000 0.937 61 E CB -0.019 29.686 29.700 0.009 0.000 0.923 61 E HN 0.559 nan 8.360 nan 0.000 0.468 62 N N 1.377 120.091 118.700 0.024 0.000 2.965 62 N HA -0.231 4.507 4.740 -0.004 0.000 0.232 62 N C -0.930 174.607 175.510 0.045 0.000 0.913 62 N CA 0.838 53.911 53.050 0.039 0.000 0.981 62 N CB -0.942 37.573 38.487 0.046 0.000 1.077 62 N HN 0.350 nan 8.380 nan 0.000 0.589 63 L N 1.209 122.448 121.223 0.027 0.000 2.404 63 L HA 0.504 4.842 4.340 -0.004 0.000 0.272 63 L C -0.496 176.373 176.870 -0.001 0.000 0.980 63 L CA -0.359 54.491 54.840 0.017 0.000 0.836 63 L CB 1.273 43.333 42.059 0.001 0.000 1.238 63 L HN 0.040 nan 8.230 nan 0.000 0.408 64 R N 3.560 124.055 120.500 -0.009 0.000 2.807 64 R HA 0.818 5.156 4.340 -0.004 0.000 0.276 64 R C -1.456 174.784 176.300 -0.099 0.000 0.979 64 R CA -1.099 54.975 56.100 -0.043 0.000 0.928 64 R CB 2.447 32.731 30.300 -0.025 0.000 1.191 64 R HN 0.350 nan 8.270 nan 0.000 0.471 65 V N 3.653 123.495 119.914 -0.119 0.000 2.398 65 V HA 0.388 4.506 4.120 -0.004 0.000 0.286 65 V C -0.256 175.697 176.094 -0.236 0.000 1.026 65 V CA -0.762 61.440 62.300 -0.164 0.000 0.868 65 V CB 1.665 33.421 31.823 -0.113 0.000 0.982 65 V HN 0.524 nan 8.190 nan 0.000 0.443 66 I N 4.058 124.390 120.570 -0.397 0.000 2.339 66 I HA 0.397 4.565 4.170 -0.004 0.000 0.290 66 I C -0.017 175.927 176.117 -0.289 0.000 0.994 66 I CA -0.604 60.370 61.300 -0.543 0.000 1.191 66 I CB 1.158 38.416 38.000 -1.238 0.000 1.343 66 I HN 0.634 nan 8.210 nan 0.000 0.458 67 N N 6.824 125.426 118.700 -0.163 0.000 2.439 67 N HA 0.396 5.134 4.740 -0.004 0.000 0.249 67 N C -0.612 174.916 175.510 0.029 0.000 1.003 67 N CA -0.535 52.508 53.050 -0.012 0.000 0.942 67 N CB 1.548 40.050 38.487 0.025 0.000 1.115 67 N HN 0.355 nan 8.380 nan 0.000 0.505 68 I N 2.040 122.678 120.570 0.114 0.000 2.315 68 I HA 0.252 4.420 4.170 -0.004 0.000 0.291 68 I C 0.621 176.829 176.117 0.152 0.000 1.006 68 I CA -0.918 60.443 61.300 0.101 0.000 1.265 68 I CB 0.684 38.668 38.000 -0.027 0.000 1.387 68 I HN 0.467 nan 8.210 nan 0.000 0.475 69 A N 5.962 128.835 122.820 0.088 0.000 2.444 69 A HA 0.602 4.920 4.320 -0.004 0.000 0.273 69 A C 0.365 177.978 177.584 0.047 0.000 1.136 69 A CA -0.169 51.885 52.037 0.029 0.000 0.799 69 A CB -0.100 18.881 19.000 -0.031 0.000 1.081 69 A HN 0.940 nan 8.150 nan 0.000 0.509 70 A N 3.232 126.087 122.820 0.059 0.000 2.741 70 A HA 0.693 5.011 4.320 -0.004 0.000 0.298 70 A C 0.359 177.958 177.584 0.026 0.000 1.153 70 A CA 0.419 52.502 52.037 0.078 0.000 0.816 70 A CB -0.063 19.068 19.000 0.218 0.000 1.396 70 A HN 2.860 nan 8.150 nan 0.000 0.407 71 G N 2.426 111.213 108.800 -0.023 0.000 2.712 71 G HA2 0.105 4.063 3.960 -0.004 0.000 0.683 71 G HA3 0.105 4.063 3.960 -0.004 0.000 0.683 71 G C -2.666 172.176 174.900 -0.097 0.000 1.320 71 G CA -0.365 44.712 45.100 -0.039 0.000 0.847 71 G HN 0.956 nan 8.290 nan 0.000 0.553 72 P HA 0.322 nan 4.420 nan 0.000 0.274 72 P C 0.378 177.635 177.300 -0.071 0.000 1.237 72 P CA -0.212 62.822 63.100 -0.109 0.000 0.793 72 P CB 0.389 32.071 31.700 -0.030 0.000 0.977 73 Y N -0.126 120.181 120.300 0.012 0.000 2.256 73 Y HA -0.106 4.442 4.550 -0.004 0.000 0.288 73 Y C 1.321 177.219 175.900 -0.002 0.000 1.155 73 Y CA 1.437 59.540 58.100 0.005 0.000 1.203 73 Y CB -0.142 38.320 38.460 0.003 0.000 0.980 73 Y HN 0.459 nan 8.280 nan 0.000 0.530 74 E N -2.728 117.561 120.200 0.149 0.000 2.393 74 E HA 0.496 4.844 4.350 -0.004 0.000 0.273 74 E C 0.458 177.087 176.600 0.049 0.000 0.918 74 E CA 0.061 56.510 56.400 0.081 0.000 0.773 74 E CB 2.069 31.812 29.700 0.072 0.000 1.275 74 E HN 0.010 nan 8.360 nan 0.000 0.451 75 G N 0.729 109.549 108.800 0.033 0.000 2.176 75 G HA2 -0.229 3.729 3.960 -0.004 0.000 0.232 75 G HA3 -0.229 3.729 3.960 -0.004 0.000 0.232 75 G C -0.531 174.381 174.900 0.019 0.000 0.986 75 G CA -0.061 45.054 45.100 0.024 0.000 0.643 75 G HN 0.280 nan 8.290 nan 0.000 0.522 76 L N 2.828 124.062 121.223 0.018 0.000 2.277 76 L HA 0.728 5.066 4.340 -0.004 0.000 0.284 76 L C 0.917 177.796 176.870 0.015 0.000 1.028 76 L CA -0.136 54.713 54.840 0.014 0.000 0.835 76 L CB 1.227 43.291 42.059 0.008 0.000 1.215 76 L HN 0.533 nan 8.230 nan 0.000 0.425 77 S N 3.365 119.078 115.700 0.020 0.000 2.614 77 S HA 0.216 4.684 4.470 -0.004 0.000 0.265 77 S C 1.209 175.828 174.600 0.032 0.000 1.303 77 S CA -0.174 58.041 58.200 0.026 0.000 1.000 77 S CB 0.862 64.081 63.200 0.031 0.000 0.935 77 S HN 0.733 nan 8.310 nan 0.000 0.551 78 K N 0.479 120.905 120.400 0.044 0.000 2.103 78 K HA -0.160 4.158 4.320 -0.004 0.000 0.207 78 K C 1.627 178.274 176.600 0.077 0.000 1.048 78 K CA 1.888 58.211 56.287 0.060 0.000 0.930 78 K CB -0.305 32.246 32.500 0.085 0.000 0.716 78 K HN 0.715 nan 8.250 nan 0.000 0.444 79 E N 0.492 120.745 120.200 0.089 0.000 2.204 79 E HA -0.155 4.192 4.350 -0.004 0.000 0.195 79 E C 1.305 177.959 176.600 0.090 0.000 0.990 79 E CA 1.123 57.588 56.400 0.108 0.000 0.821 79 E CB 0.093 29.846 29.700 0.088 0.000 0.750 79 E HN 0.298 nan 8.360 nan 0.000 0.477 80 E N -0.537 119.698 120.200 0.058 0.000 2.472 80 E HA 0.131 4.479 4.350 -0.004 0.000 0.196 80 E C 1.412 178.028 176.600 0.027 0.000 1.033 80 E CA -0.040 56.386 56.400 0.044 0.000 0.886 80 E CB 0.088 29.807 29.700 0.032 0.000 0.944 80 E HN 0.196 nan 8.360 nan 0.000 0.492 81 L N 0.770 121.999 121.223 0.011 0.000 2.187 81 L HA -0.120 4.217 4.340 -0.004 0.000 0.213 81 L C -0.810 176.030 176.870 -0.051 0.000 1.100 81 L CA 0.990 55.808 54.840 -0.036 0.000 0.765 81 L CB -1.158 40.855 42.059 -0.076 0.000 0.904 81 L HN 0.143 nan 8.230 nan 0.000 0.437 82 P HA -0.182 nan 4.420 nan 0.000 0.219 82 P C 1.661 178.979 177.300 0.029 0.000 1.146 82 P CA 1.702 64.812 63.100 0.017 0.000 0.808 82 P CB -0.229 31.552 31.700 0.136 0.000 0.779 83 T N -3.730 110.842 114.554 0.030 0.000 2.929 83 T HA -0.156 4.191 4.350 -0.004 0.000 0.271 83 T C 1.517 176.231 174.700 0.024 0.000 1.085 83 T CA 1.074 63.191 62.100 0.028 0.000 1.125 83 T CB -0.645 68.238 68.868 0.025 0.000 0.874 83 T HN 0.065 nan 8.240 nan 0.000 0.494 84 Q N -0.015 119.796 119.800 0.017 0.000 2.247 84 Q HA 0.411 4.749 4.340 -0.004 0.000 0.204 84 Q C 2.029 178.071 176.000 0.070 0.000 0.872 84 Q CA -0.104 55.722 55.803 0.038 0.000 0.951 84 Q CB 0.005 28.760 28.738 0.029 0.000 1.099 84 Q HN 0.526 nan 8.270 nan 0.000 0.501 85 L N 0.026 121.273 121.223 0.040 0.000 1.990 85 L HA -0.249 4.089 4.340 -0.004 0.000 0.213 85 L C 2.239 179.160 176.870 0.086 0.000 1.072 85 L CA 1.830 56.703 54.840 0.056 0.000 0.755 85 L CB -0.483 41.592 42.059 0.027 0.000 0.889 85 L HN 0.180 nan 8.230 nan 0.000 0.432 86 A N -0.763 122.083 122.820 0.044 0.000 1.929 86 A HA -0.033 4.284 4.320 -0.004 0.000 0.216 86 A C 2.455 180.053 177.584 0.023 0.000 1.176 86 A CA 1.350 53.395 52.037 0.014 0.000 0.628 86 A CB -0.621 18.374 19.000 -0.008 0.000 0.816 86 A HN 0.411 nan 8.150 nan 0.000 0.444 87 A N -0.974 121.877 122.820 0.051 0.000 1.898 87 A HA -0.029 4.289 4.320 -0.004 0.000 0.216 87 A C 2.041 179.667 177.584 0.070 0.000 1.181 87 A CA 1.556 53.623 52.037 0.049 0.000 0.620 87 A CB -0.733 18.298 19.000 0.051 0.000 0.819 87 A HN 0.677 nan 8.150 nan 0.000 0.442 88 F N 1.502 121.440 119.950 -0.020 0.000 2.134 88 F HA -0.143 4.383 4.527 -0.003 0.000 0.299 88 F C 2.415 178.198 175.800 -0.027 0.000 1.097 88 F CA 2.231 60.223 58.000 -0.013 0.000 1.264 88 F CB -0.627 38.365 39.000 -0.013 0.000 1.001 88 F HN 0.208 nan 8.300 nan 0.000 0.479 89 T N -0.096 114.432 114.554 -0.044 0.000 2.674 89 T HA -0.134 4.214 4.350 -0.004 0.000 0.265 89 T C 2.186 176.768 174.700 -0.197 0.000 1.039 89 T CA 1.532 63.531 62.100 -0.168 0.000 1.150 89 T CB -1.285 67.533 68.868 -0.084 0.000 0.864 89 T HN 0.458 nan 8.240 nan 0.000 0.427 90 G N 0.923 109.655 108.800 -0.114 0.000 2.442 90 G HA2 -0.079 3.879 3.960 -0.004 0.000 0.219 90 G HA3 -0.079 3.879 3.960 -0.004 0.000 0.219 90 G C 1.719 176.577 174.900 -0.071 0.000 1.141 90 G CA 1.012 46.065 45.100 -0.079 0.000 0.763 90 G HN 0.577 nan 8.290 nan 0.000 0.554 91 G N 0.529 109.268 108.800 -0.102 0.000 2.418 91 G HA2 -0.185 3.773 3.960 -0.004 0.000 0.217 91 G HA3 -0.185 3.773 3.960 -0.004 0.000 0.217 91 G C 1.872 176.726 174.900 -0.076 0.000 1.158 91 G CA 0.945 45.998 45.100 -0.078 0.000 0.771 91 G HN 0.400 nan 8.290 nan 0.000 0.545 92 M N -0.205 119.235 119.600 -0.267 0.000 2.080 92 M HA -0.013 4.465 4.480 -0.004 0.000 0.260 92 M C 2.635 178.984 176.300 0.081 0.000 1.068 92 M CA 1.253 56.432 55.300 -0.201 0.000 1.109 92 M CB -0.401 31.887 32.600 -0.521 0.000 1.342 92 M HN 0.181 nan 8.290 nan 0.000 0.405 93 L N -0.983 120.253 121.223 0.021 0.000 2.017 93 L HA -0.224 4.113 4.340 -0.004 0.000 0.208 93 L C 2.599 179.561 176.870 0.153 0.000 1.073 93 L CA 1.164 56.078 54.840 0.124 0.000 0.745 93 L CB -0.589 41.481 42.059 0.018 0.000 0.894 93 L HN 0.246 nan 8.230 nan 0.000 0.432 94 S N -0.560 115.203 115.700 0.106 0.000 2.368 94 S HA -0.213 4.254 4.470 -0.004 0.000 0.225 94 S C 1.792 176.478 174.600 0.144 0.000 1.030 94 S CA 1.420 59.681 58.200 0.101 0.000 0.999 94 S CB -0.412 62.833 63.200 0.075 0.000 0.844 94 S HN 0.370 nan 8.310 nan 0.000 0.459 95 F N 2.831 122.830 119.950 0.082 0.000 2.095 95 F HA -0.232 4.293 4.527 -0.004 0.000 0.298 95 F C 2.701 178.588 175.800 0.144 0.000 1.104 95 F CA 2.052 60.127 58.000 0.125 0.000 1.232 95 F CB -1.074 38.049 39.000 0.205 0.000 0.987 95 F HN 0.326 nan 8.300 nan 0.000 0.475 96 T N -1.193 113.518 114.554 0.261 0.000 2.788 96 T HA -0.184 4.164 4.350 -0.004 0.000 0.268 96 T C 2.051 176.738 174.700 -0.022 0.000 1.044 96 T CA 1.432 63.623 62.100 0.152 0.000 1.139 96 T CB -0.592 68.485 68.868 0.349 0.000 0.867 96 T HN 0.387 nan 8.240 nan 0.000 0.454 97 R N 0.952 121.462 120.500 0.017 0.000 2.062 97 R HA 0.138 4.476 4.340 -0.004 0.000 0.229 97 R C 3.019 179.272 176.300 -0.079 0.000 1.128 97 R CA 1.124 57.213 56.100 -0.017 0.000 0.960 97 R CB -0.304 30.007 30.300 0.019 0.000 0.855 97 R HN 0.389 nan 8.270 nan 0.000 0.432 98 R N 0.697 121.134 120.500 -0.105 0.000 2.105 98 R HA -0.115 4.223 4.340 -0.004 0.000 0.239 98 R C 1.667 177.842 176.300 -0.208 0.000 1.135 98 R CA 1.120 57.139 56.100 -0.136 0.000 0.967 98 R CB -0.039 30.182 30.300 -0.131 0.000 0.861 98 R HN 0.266 nan 8.270 nan 0.000 0.442 99 E N 0.240 120.234 120.200 -0.344 0.000 2.452 99 E HA 0.016 4.364 4.350 -0.004 0.000 0.197 99 E C -0.105 176.352 176.600 -0.239 0.000 1.022 99 E CA 0.051 56.223 56.400 -0.380 0.000 0.890 99 E CB 0.464 29.710 29.700 -0.757 0.000 0.918 99 E HN -0.017 nan 8.360 nan 0.000 0.496 100 K N 0.099 120.385 120.400 -0.190 0.000 3.150 100 K HA -0.137 4.181 4.320 -0.004 0.000 0.267 100 K C -0.381 176.111 176.600 -0.179 0.000 1.028 100 K CA 0.562 56.760 56.287 -0.147 0.000 0.753 100 K CB -2.197 30.234 32.500 -0.115 0.000 1.288 100 K HN 0.132 nan 8.250 nan 0.000 0.473 101 V N -1.914 117.872 119.914 -0.212 0.000 2.547 101 V HA 0.878 4.995 4.120 -0.004 0.000 0.299 101 V C 0.494 176.302 176.094 -0.477 0.000 1.040 101 V CA -0.008 62.102 62.300 -0.317 0.000 0.913 101 V CB 2.084 33.755 31.823 -0.253 0.000 0.992 101 V HN 0.388 nan 8.190 nan 0.000 0.449 102 T N 1.680 115.862 114.554 -0.621 0.000 2.907 102 T HA 0.783 5.131 4.350 -0.004 0.000 0.292 102 T C -1.196 172.986 174.700 -0.864 0.000 1.043 102 T CA -0.550 61.136 62.100 -0.690 0.000 1.003 102 T CB 1.742 70.369 68.868 -0.402 0.000 1.084 102 T HN 0.647 nan 8.240 nan 0.000 0.483 103 Y N 0.206 120.259 120.300 -0.412 0.000 2.524 103 Y HA 0.450 5.000 4.550 0.001 0.000 0.344 103 Y C 0.929 176.749 175.900 -0.133 0.000 1.012 103 Y CA -1.096 56.872 58.100 -0.221 0.000 1.068 103 Y CB 1.875 40.216 38.460 -0.199 0.000 1.249 103 Y HN 0.661 nan 8.280 nan 0.000 0.468 104 D N 1.080 121.538 120.400 0.098 0.000 2.346 104 D HA 0.116 4.753 4.640 -0.004 0.000 0.206 104 D C -0.298 176.047 176.300 0.074 0.000 1.001 104 D CA 0.863 54.903 54.000 0.065 0.000 0.871 104 D CB 1.079 41.909 40.800 0.050 0.000 0.943 104 D HN 0.375 nan 8.370 nan 0.000 0.518 105 L N 0.010 121.280 121.223 0.078 0.000 2.653 105 L HA 0.376 4.714 4.340 -0.004 0.000 0.257 105 L C -1.966 174.916 176.870 0.019 0.000 0.969 105 L CA -0.671 54.177 54.840 0.014 0.000 0.869 105 L CB 2.330 44.307 42.059 -0.136 0.000 1.439 105 L HN -0.306 nan 8.230 nan 0.000 0.414 106 I N 2.073 122.663 120.570 0.035 0.000 2.441 106 I HA 0.388 4.556 4.170 -0.004 0.000 0.295 106 I C -0.903 175.244 176.117 0.049 0.000 0.994 106 I CA -0.416 60.924 61.300 0.066 0.000 1.144 106 I CB 1.737 39.816 38.000 0.132 0.000 1.314 106 I HN 0.578 nan 8.210 nan 0.000 0.445 107 H N 4.698 123.760 119.070 -0.012 0.000 2.762 107 H HA 0.444 4.997 4.556 -0.005 0.000 0.310 107 H C -0.620 174.697 175.328 -0.018 0.000 1.004 107 H CA -0.622 55.421 56.048 -0.009 0.000 1.267 107 H CB 1.056 30.864 29.762 0.077 0.000 1.437 107 H HN 0.708 nan 8.280 nan 0.000 0.498 108 S N 4.365 120.202 115.700 0.228 0.000 2.617 108 S HA 0.364 4.831 4.470 -0.004 0.000 0.283 108 S C -0.666 173.961 174.600 0.045 0.000 1.189 108 S CA -0.840 57.496 58.200 0.227 0.000 1.036 108 S CB 1.635 65.028 63.200 0.322 0.000 1.014 108 S HN 0.687 nan 8.310 nan 0.000 0.522 109 H N 1.239 120.500 119.070 0.317 0.000 2.823 109 H HA 0.403 4.956 4.556 -0.004 0.000 0.332 109 H C -0.983 174.602 175.328 0.428 0.000 0.980 109 H CA 0.005 56.236 56.048 0.305 0.000 1.286 109 H CB 0.864 30.786 29.762 0.266 0.000 1.541 109 H HN 0.833 nan 8.280 nan 0.000 0.521 110 Y N 2.113 122.619 120.300 0.343 0.000 2.517 110 Y HA -0.299 4.249 4.550 -0.004 0.000 0.021 110 Y C 0.811 176.877 175.900 0.275 0.000 1.713 110 Y CA -0.085 58.175 58.100 0.266 0.000 1.412 110 Y CB -0.148 38.370 38.460 0.096 0.000 2.058 110 Y HN 0.785 nan 8.280 nan 0.000 0.255 111 W N 4.158 125.248 121.300 -0.349 0.000 2.342 111 W HA -0.164 4.495 4.660 -0.003 0.000 0.297 111 W C 1.265 177.712 176.519 -0.120 0.000 1.213 111 W CA 1.712 58.920 57.345 -0.228 0.000 1.251 111 W CB -1.327 27.925 29.460 -0.347 0.000 1.136 111 W HN 0.664 nan 8.180 nan 0.000 0.526 112 L N 1.718 122.384 121.223 -0.928 0.000 2.012 112 L HA -0.232 4.106 4.340 -0.004 0.000 0.210 112 L C 2.911 179.658 176.870 -0.205 0.000 1.073 112 L CA 2.156 56.572 54.840 -0.707 0.000 0.748 112 L CB -1.085 40.498 42.059 -0.793 0.000 0.891 112 L HN -0.110 nan 8.230 nan 0.000 0.431 113 S N -0.107 115.568 115.700 -0.040 0.000 2.383 113 S HA -0.097 4.370 4.470 -0.004 0.000 0.227 113 S C 2.058 176.745 174.600 0.145 0.000 1.026 113 S CA 1.022 59.289 58.200 0.112 0.000 0.981 113 S CB -0.578 62.759 63.200 0.229 0.000 0.818 113 S HN 0.609 nan 8.310 nan 0.000 0.472 114 G N 1.614 110.490 108.800 0.126 0.000 2.440 114 G HA2 -0.239 3.718 3.960 -0.004 0.000 0.218 114 G HA3 -0.239 3.718 3.960 -0.004 0.000 0.218 114 G C 1.406 176.326 174.900 0.035 0.000 1.154 114 G CA 0.670 45.716 45.100 -0.090 0.000 0.767 114 G HN 0.354 nan 8.290 nan 0.000 0.552 115 Q N 0.102 119.960 119.800 0.098 0.000 2.084 115 Q HA -0.055 4.283 4.340 -0.004 0.000 0.202 115 Q C 3.034 179.121 176.000 0.145 0.000 0.978 115 Q CA 1.150 57.082 55.803 0.215 0.000 0.844 115 Q CB -0.682 28.171 28.738 0.191 0.000 0.898 115 Q HN 0.426 nan 8.270 nan 0.000 0.426 116 V N 0.524 120.495 119.914 0.096 0.000 2.255 116 V HA -0.228 3.890 4.120 -0.004 0.000 0.247 116 V C 2.387 178.497 176.094 0.026 0.000 1.051 116 V CA 2.112 64.456 62.300 0.072 0.000 1.018 116 V CB -1.405 30.524 31.823 0.177 0.000 0.641 116 V HN 0.452 nan 8.190 nan 0.000 0.445 117 G N -1.371 107.476 108.800 0.078 0.000 2.432 117 G HA2 -0.314 3.643 3.960 -0.004 0.000 0.219 117 G HA3 -0.314 3.643 3.960 -0.004 0.000 0.219 117 G C 1.321 176.290 174.900 0.115 0.000 1.135 117 G CA 0.801 45.944 45.100 0.071 0.000 0.767 117 G HN 0.597 nan 8.290 nan 0.000 0.550 118 W N 1.183 122.442 121.300 -0.068 0.000 2.355 118 W HA 0.028 4.685 4.660 -0.005 0.000 0.309 118 W C 2.220 178.704 176.519 -0.060 0.000 1.206 118 W CA 1.077 58.382 57.345 -0.067 0.000 1.284 118 W CB -0.906 28.505 29.460 -0.082 0.000 1.145 118 W HN 0.168 nan 8.180 nan 0.000 0.502 119 L N 0.190 121.350 121.223 -0.106 0.000 2.012 119 L HA -0.228 4.109 4.340 -0.004 0.000 0.210 119 L C 2.529 179.252 176.870 -0.245 0.000 1.073 119 L CA 1.842 56.530 54.840 -0.253 0.000 0.748 119 L CB -0.630 41.277 42.059 -0.253 0.000 0.891 119 L HN -0.002 nan 8.230 nan 0.000 0.431 120 L N -0.376 120.671 121.223 -0.293 0.000 2.109 120 L HA -0.177 4.161 4.340 -0.004 0.000 0.207 120 L C 2.794 179.466 176.870 -0.329 0.000 1.086 120 L CA 1.207 55.700 54.840 -0.579 0.000 0.760 120 L CB -0.539 41.041 42.059 -0.798 0.000 0.910 120 L HN 0.386 nan 8.230 nan 0.000 0.437 121 R N 0.017 120.481 120.500 -0.059 0.000 2.096 121 R HA -0.174 4.164 4.340 -0.004 0.000 0.235 121 R C 1.571 177.923 176.300 0.086 0.000 1.127 121 R CA 1.825 57.980 56.100 0.092 0.000 0.968 121 R CB -0.914 29.463 30.300 0.129 0.000 0.861 121 R HN 0.179 nan 8.270 nan 0.000 0.440 122 D N 0.261 120.685 120.400 0.041 0.000 2.097 122 D HA -0.115 4.523 4.640 -0.004 0.000 0.195 122 D C 1.779 178.079 176.300 0.000 0.000 0.989 122 D CA 1.241 55.259 54.000 0.031 0.000 0.827 122 D CB -0.291 40.515 40.800 0.010 0.000 0.966 122 D HN 0.195 nan 8.370 nan 0.000 0.456 123 L N -0.160 121.009 121.223 -0.090 0.000 2.005 123 L HA -0.115 4.223 4.340 -0.004 0.000 0.207 123 L C 1.759 178.684 176.870 0.091 0.000 1.072 123 L CA 1.469 56.252 54.840 -0.095 0.000 0.744 123 L CB -0.636 41.240 42.059 -0.305 0.000 0.895 123 L HN 0.126 nan 8.230 nan 0.000 0.433 124 W N 0.684 121.999 121.300 0.026 0.000 2.800 124 W HA 0.101 4.764 4.660 0.004 0.000 0.249 124 W C 0.538 177.080 176.519 0.039 0.000 1.294 124 W CA 0.098 57.467 57.345 0.039 0.000 1.402 124 W CB -0.480 29.017 29.460 0.062 0.000 1.126 124 W HN 0.160 nan 8.180 nan 0.000 0.652 125 R N 0.219 120.860 120.500 0.235 0.000 3.267 125 R HA -0.208 4.129 4.340 -0.004 0.000 0.254 125 R C -0.239 176.151 176.300 0.150 0.000 0.993 125 R CA 1.205 57.396 56.100 0.152 0.000 0.670 125 R CB -3.226 27.142 30.300 0.113 0.000 1.125 125 R HN 0.423 nan 8.270 nan 0.000 0.434 126 I N -4.145 116.530 120.570 0.176 0.000 3.074 126 I HA 0.707 4.875 4.170 -0.004 0.000 0.310 126 I C -2.597 173.593 176.117 0.123 0.000 1.153 126 I CA -3.311 58.078 61.300 0.148 0.000 0.993 126 I CB 2.808 40.919 38.000 0.186 0.000 1.237 126 I HN -0.295 nan 8.210 nan 0.000 0.443 127 P HA 0.220 nan 4.420 nan 0.000 0.271 127 P C -1.014 176.320 177.300 0.057 0.000 1.218 127 P CA -0.187 62.950 63.100 0.062 0.000 0.780 127 P CB 0.642 32.367 31.700 0.042 0.000 0.901 128 L N 4.273 125.525 121.223 0.048 0.000 2.280 128 L HA 0.404 4.742 4.340 -0.004 0.000 0.287 128 L C -0.986 175.885 176.870 0.003 0.000 1.023 128 L CA -0.303 54.562 54.840 0.042 0.000 0.819 128 L CB 0.153 42.248 42.059 0.059 0.000 1.212 128 L HN 0.150 nan 8.230 nan 0.000 0.420 129 I N 4.661 125.207 120.570 -0.041 0.000 2.359 129 I HA 0.327 4.494 4.170 -0.004 0.000 0.294 129 I C -0.498 175.576 176.117 -0.072 0.000 0.987 129 I CA -0.443 60.776 61.300 -0.135 0.000 1.225 129 I CB 0.991 38.775 38.000 -0.360 0.000 1.366 129 I HN 0.689 nan 8.210 nan 0.000 0.466 130 H N 3.726 122.712 119.070 -0.141 0.000 2.589 130 H HA 0.558 5.111 4.556 -0.004 0.000 0.351 130 H C -1.118 174.174 175.328 -0.060 0.000 1.074 130 H CA -0.216 55.793 56.048 -0.065 0.000 1.203 130 H CB 1.553 31.275 29.762 -0.066 0.000 1.558 130 H HN 0.557 nan 8.280 nan 0.000 0.522 131 T N 4.757 118.904 114.554 -0.678 0.000 2.786 131 T HA 0.448 4.795 4.350 -0.004 0.000 0.283 131 T C 1.023 175.231 174.700 -0.821 0.000 0.992 131 T CA 0.014 61.747 62.100 -0.613 0.000 0.954 131 T CB 1.474 70.075 68.868 -0.444 0.000 0.934 131 T HN 0.776 nan 8.240 nan 0.000 0.440 132 A N 2.681 125.174 122.820 -0.545 0.000 1.970 132 A HA 0.016 4.334 4.320 -0.004 0.000 0.216 132 A C 1.546 179.168 177.584 0.063 0.000 1.170 132 A CA 1.360 53.295 52.037 -0.170 0.000 0.645 132 A CB -0.576 18.380 19.000 -0.075 0.000 0.816 132 A HN 1.088 nan 8.150 nan 0.000 0.447 133 H N -0.800 118.264 119.070 -0.012 0.000 4.988 133 H HA -0.214 4.340 4.556 -0.004 0.000 0.062 133 H C 0.715 176.096 175.328 0.089 0.000 0.573 133 H CA 2.138 58.202 56.048 0.027 0.000 0.989 133 H CB -2.226 27.568 29.762 0.053 0.000 0.461 133 H HN 0.818 nan 8.280 nan 0.000 0.781 134 T N -0.142 114.590 114.554 0.298 0.000 2.906 134 T HA 0.756 5.103 4.350 -0.004 0.000 0.295 134 T C -0.271 174.527 174.700 0.163 0.000 1.075 134 T CA -0.968 61.263 62.100 0.218 0.000 1.005 134 T CB 3.009 72.028 68.868 0.252 0.000 1.136 134 T HN 0.231 nan 8.240 nan 0.000 0.498 135 L N 1.327 122.610 121.223 0.101 0.000 2.401 135 L HA 0.680 5.018 4.340 -0.004 0.000 0.266 135 L C 1.489 178.389 176.870 0.050 0.000 0.991 135 L CA -1.326 53.548 54.840 0.057 0.000 0.818 135 L CB 1.980 44.086 42.059 0.078 0.000 1.321 135 L HN 0.962 nan 8.230 nan 0.000 0.413 136 A N 2.124 124.952 122.820 0.014 0.000 1.933 136 A HA -0.110 4.208 4.320 -0.004 0.000 0.218 136 A C 2.119 179.663 177.584 -0.066 0.000 1.175 136 A CA 2.002 54.014 52.037 -0.041 0.000 0.628 136 A CB -0.404 18.522 19.000 -0.124 0.000 0.814 136 A HN 0.865 nan 8.150 nan 0.000 0.444 137 A N -0.847 121.933 122.820 -0.066 0.000 2.016 137 A HA 0.163 4.481 4.320 -0.004 0.000 0.217 137 A C 2.065 179.361 177.584 -0.479 0.000 1.162 137 A CA 1.423 53.269 52.037 -0.319 0.000 0.662 137 A CB -0.468 18.218 19.000 -0.524 0.000 0.812 137 A HN 0.351 nan 8.150 nan 0.000 0.450 138 V N 0.555 120.317 119.914 -0.254 0.000 2.591 138 V HA -0.079 4.038 4.120 -0.004 0.000 0.249 138 V C 1.231 177.287 176.094 -0.063 0.000 1.053 138 V CA 0.924 63.135 62.300 -0.149 0.000 1.068 138 V CB -0.553 31.269 31.823 -0.001 0.000 0.689 138 V HN 0.423 nan 8.190 nan 0.000 0.462 149 P HA -0.105 nan 4.420 nan 0.000 0.216 149 P C 1.460 178.743 177.300 -0.028 0.000 1.154 149 P CA 1.393 64.480 63.100 -0.021 0.000 0.865 149 P CB 0.098 31.793 31.700 -0.008 0.000 0.789 150 E N -0.391 119.800 120.200 -0.016 0.000 2.038 150 E HA -0.181 4.167 4.350 -0.004 0.000 0.195 150 E C 2.189 178.749 176.600 -0.068 0.000 1.000 150 E CA 1.994 58.387 56.400 -0.012 0.000 0.803 150 E CB -0.450 29.263 29.700 0.022 0.000 0.750 150 E HN 0.331 nan 8.360 nan 0.000 0.448 151 S N 0.692 116.351 115.700 -0.068 0.000 2.406 151 S HA -0.109 4.358 4.470 -0.004 0.000 0.228 151 S C 1.766 176.275 174.600 -0.151 0.000 1.020 151 S CA 0.674 58.807 58.200 -0.112 0.000 0.965 151 S CB -0.042 63.115 63.200 -0.071 0.000 0.798 151 S HN 0.110 nan 8.310 nan 0.000 0.488 152 E N 2.101 122.234 120.200 -0.111 0.000 2.072 152 E HA 0.035 4.382 4.350 -0.004 0.000 0.191 152 E C 2.453 178.971 176.600 -0.137 0.000 0.985 152 E CA 1.241 57.575 56.400 -0.110 0.000 0.801 152 E CB -0.860 28.796 29.700 -0.073 0.000 0.750 152 E HN 0.684 nan 8.360 nan 0.000 0.452 153 A N 1.700 124.437 122.820 -0.137 0.000 1.902 153 A HA -0.201 4.117 4.320 -0.004 0.000 0.217 153 A C 2.240 179.621 177.584 -0.338 0.000 1.181 153 A CA 1.738 53.683 52.037 -0.154 0.000 0.623 153 A CB -0.514 18.437 19.000 -0.082 0.000 0.818 153 A HN 0.168 nan 8.150 nan 0.000 0.443 154 R N -0.413 119.760 120.500 -0.544 0.000 2.081 154 R HA -0.135 4.203 4.340 -0.004 0.000 0.235 154 R C 2.386 178.242 176.300 -0.740 0.000 1.131 154 R CA 1.630 57.043 56.100 -1.145 0.000 0.960 154 R CB -0.345 29.264 30.300 -1.151 0.000 0.856 154 R HN 0.523 nan 8.270 nan 0.000 0.436 155 R N 0.466 120.739 120.500 -0.377 0.000 2.096 155 R HA -0.098 4.239 4.340 -0.004 0.000 0.235 155 R C 2.250 178.509 176.300 -0.068 0.000 1.127 155 R CA 1.660 57.671 56.100 -0.148 0.000 0.968 155 R CB -0.252 29.978 30.300 -0.116 0.000 0.861 155 R HN 0.309 nan 8.270 nan 0.000 0.440 156 I N -0.081 120.418 120.570 -0.120 0.000 2.226 156 I HA -0.356 3.811 4.170 -0.004 0.000 0.245 156 I C 2.395 178.487 176.117 -0.042 0.000 1.100 156 I CA 1.029 62.296 61.300 -0.054 0.000 1.374 156 I CB -0.206 37.767 38.000 -0.045 0.000 1.057 156 I HN 0.319 nan 8.210 nan 0.000 0.413 157 C N 0.627 119.866 119.300 -0.103 0.000 2.446 157 C HA -0.122 4.336 4.460 -0.004 0.000 0.277 157 C C 2.635 177.594 174.990 -0.050 0.000 1.275 157 C CA 0.744 59.758 59.018 -0.006 0.000 1.727 157 C CB -1.052 26.744 27.740 0.093 0.000 2.010 157 C HN 0.496 nan 8.230 nan 0.000 0.486 158 E N 0.333 120.452 120.200 -0.135 0.000 2.110 158 E HA -0.268 4.079 4.350 -0.004 0.000 0.193 158 E C 2.100 178.591 176.600 -0.182 0.000 0.988 158 E CA 1.114 57.411 56.400 -0.171 0.000 0.804 158 E CB -0.245 29.311 29.700 -0.240 0.000 0.745 158 E HN 0.571 nan 8.360 nan 0.000 0.458 159 Q N 1.263 121.070 119.800 0.012 0.000 2.079 159 Q HA -0.177 4.161 4.340 -0.004 0.000 0.200 159 Q C 1.928 177.873 176.000 -0.091 0.000 0.974 159 Q CA 1.546 57.400 55.803 0.085 0.000 0.840 159 Q CB 0.023 28.852 28.738 0.151 0.000 0.898 159 Q HN 0.252 nan 8.270 nan 0.000 0.430 160 Q N -0.418 119.297 119.800 -0.141 0.000 2.096 160 Q HA -0.151 4.187 4.340 -0.004 0.000 0.204 160 Q C 2.071 177.714 176.000 -0.596 0.000 0.982 160 Q CA 1.692 57.299 55.803 -0.326 0.000 0.850 160 Q CB -0.153 28.459 28.738 -0.210 0.000 0.901 160 Q HN 0.420 nan 8.270 nan 0.000 0.422 161 L N -0.470 120.471 121.223 -0.469 0.000 2.056 161 L HA -0.162 4.176 4.340 -0.004 0.000 0.207 161 L C 2.355 179.004 176.870 -0.369 0.000 1.078 161 L CA 0.605 55.135 54.840 -0.516 0.000 0.749 161 L CB -0.599 41.154 42.059 -0.511 0.000 0.901 161 L HN 0.088 nan 8.230 nan 0.000 0.433 162 V N 0.224 119.977 119.914 -0.268 0.000 2.282 162 V HA -0.324 3.794 4.120 -0.004 0.000 0.249 162 V C 1.822 177.814 176.094 -0.171 0.000 1.057 162 V CA 2.101 64.292 62.300 -0.181 0.000 1.032 162 V CB -0.505 31.245 31.823 -0.122 0.000 0.645 162 V HN 0.485 nan 8.190 nan 0.000 0.447 163 D N -0.961 119.315 120.400 -0.206 0.000 2.355 163 D HA -0.006 4.632 4.640 -0.004 0.000 0.218 163 D C 1.613 177.805 176.300 -0.180 0.000 1.004 163 D CA 0.527 54.428 54.000 -0.165 0.000 0.880 163 D CB -0.014 40.703 40.800 -0.138 0.000 0.911 163 D HN 0.523 nan 8.370 nan 0.000 0.528 164 N N -0.173 118.298 118.700 -0.381 0.000 2.380 164 N HA 0.096 4.833 4.740 -0.004 0.000 0.227 164 N C 0.587 175.890 175.510 -0.345 0.000 1.139 164 N CA -0.047 52.729 53.050 -0.457 0.000 0.843 164 N CB 1.128 38.950 38.487 -1.109 0.000 1.327 164 N HN -0.042 nan 8.380 nan 0.000 0.470 165 A N 1.449 124.071 122.820 -0.330 0.000 2.483 165 A HA 0.080 4.398 4.320 -0.004 0.000 0.238 165 A C 0.824 178.354 177.584 -0.091 0.000 1.070 165 A CA 0.155 52.083 52.037 -0.181 0.000 0.770 165 A CB 0.395 19.316 19.000 -0.132 0.000 1.008 165 A HN 0.112 nan 8.150 nan 0.000 0.497 166 D N -0.040 120.336 120.400 -0.040 0.000 2.123 166 D HA 0.014 4.652 4.640 -0.004 0.000 0.200 166 D C 0.059 176.349 176.300 -0.016 0.000 0.976 166 D CA 1.538 55.529 54.000 -0.015 0.000 0.831 166 D CB 0.097 40.903 40.800 0.010 0.000 0.974 166 D HN 0.245 nan 8.370 nan 0.000 0.469 167 V N 1.519 121.421 119.914 -0.020 0.000 2.686 167 V HA 0.278 4.395 4.120 -0.004 0.000 0.306 167 V C -0.365 175.709 176.094 -0.032 0.000 1.065 167 V CA -0.697 61.589 62.300 -0.023 0.000 0.894 167 V CB 2.499 34.313 31.823 -0.014 0.000 1.004 167 V HN -0.043 nan 8.190 nan 0.000 0.424 168 L N 4.274 125.475 121.223 -0.036 0.000 2.259 168 L HA 0.735 5.073 4.340 -0.004 0.000 0.288 168 L C 0.533 177.369 176.870 -0.056 0.000 1.051 168 L CA -0.344 54.471 54.840 -0.041 0.000 0.824 168 L CB 1.249 43.280 42.059 -0.047 0.000 1.206 168 L HN 0.750 nan 8.230 nan 0.000 0.429 169 A N 4.360 127.135 122.820 -0.075 0.000 2.276 169 A HA 0.676 4.994 4.320 -0.004 0.000 0.300 169 A C -0.091 177.449 177.584 -0.074 0.000 1.235 169 A CA -0.486 51.522 52.037 -0.048 0.000 0.867 169 A CB 0.798 19.798 19.000 -0.001 0.000 1.137 169 A HN 0.543 nan 8.150 nan 0.000 0.527 170 V N 0.917 120.797 119.914 -0.055 0.000 2.919 170 V HA 0.530 4.648 4.120 -0.004 0.000 0.316 170 V C 0.533 176.603 176.094 -0.040 0.000 1.077 170 V CA -0.861 61.397 62.300 -0.070 0.000 0.977 170 V CB 1.742 33.531 31.823 -0.057 0.000 1.039 170 V HN 0.681 nan 8.190 nan 0.000 0.441 171 N N 1.098 119.775 118.700 -0.038 0.000 2.250 171 N HA 0.062 4.799 4.740 -0.004 0.000 0.181 171 N C 0.777 176.262 175.510 -0.043 0.000 1.017 171 N CA 1.464 54.509 53.050 -0.009 0.000 0.866 171 N CB -0.078 38.425 38.487 0.026 0.000 0.985 171 N HN 1.087 nan 8.380 nan 0.000 0.429 172 T N -4.116 110.420 114.554 -0.029 0.000 2.812 172 T HA 0.312 4.660 4.350 -0.004 0.000 0.294 172 T C 0.643 175.330 174.700 -0.020 0.000 1.159 172 T CA -0.727 61.357 62.100 -0.027 0.000 1.008 172 T CB 1.864 70.732 68.868 0.000 0.000 1.289 172 T HN -0.282 nan 8.240 nan 0.000 0.514 173 Q N 0.310 120.101 119.800 -0.016 0.000 2.084 173 Q HA -0.060 4.278 4.340 -0.004 0.000 0.202 173 Q C 2.109 178.109 176.000 -0.000 0.000 0.978 173 Q CA 2.192 57.988 55.803 -0.012 0.000 0.844 173 Q CB -0.373 28.360 28.738 -0.008 0.000 0.898 173 Q HN 0.863 nan 8.270 nan 0.000 0.426 174 E N 0.024 120.235 120.200 0.019 0.000 2.070 174 E HA -0.268 4.080 4.350 -0.004 0.000 0.197 174 E C 1.690 178.318 176.600 0.047 0.000 1.004 174 E CA 1.459 57.883 56.400 0.041 0.000 0.805 174 E CB -0.027 29.706 29.700 0.055 0.000 0.744 174 E HN 0.465 nan 8.360 nan 0.000 0.451 175 E N 0.129 120.349 120.200 0.034 0.000 2.085 175 E HA -0.233 4.115 4.350 -0.004 0.000 0.194 175 E C 2.124 178.735 176.600 0.018 0.000 0.994 175 E CA 1.330 57.749 56.400 0.032 0.000 0.801 175 E CB -0.183 29.519 29.700 0.004 0.000 0.743 175 E HN 0.383 nan 8.360 nan 0.000 0.453 176 M N 0.726 120.322 119.600 -0.008 0.000 2.108 176 M HA -0.279 4.198 4.480 -0.004 0.000 0.261 176 M C 1.979 178.254 176.300 -0.041 0.000 1.066 176 M CA 1.724 57.008 55.300 -0.027 0.000 1.107 176 M CB 0.061 32.639 32.600 -0.037 0.000 1.356 176 M HN 0.028 nan 8.290 nan 0.000 0.406 177 Q N -0.155 119.616 119.800 -0.048 0.000 2.167 177 Q HA -0.166 4.172 4.340 -0.004 0.000 0.202 177 Q C 1.517 177.459 176.000 -0.095 0.000 0.970 177 Q CA 1.417 57.136 55.803 -0.139 0.000 0.855 177 Q CB -0.140 28.538 28.738 -0.098 0.000 0.911 177 Q HN 0.552 nan 8.270 nan 0.000 0.438 178 D N 0.770 121.228 120.400 0.095 0.000 2.144 178 D HA -0.100 4.538 4.640 -0.004 0.000 0.200 178 D C 1.892 178.379 176.300 0.312 0.000 0.978 178 D CA 0.853 55.023 54.000 0.282 0.000 0.833 178 D CB -0.001 40.981 40.800 0.303 0.000 0.961 178 D HN 0.208 nan 8.370 nan 0.000 0.470 179 L N -0.084 121.244 121.223 0.175 0.000 2.056 179 L HA -0.094 4.244 4.340 -0.004 0.000 0.207 179 L C 2.537 179.487 176.870 0.134 0.000 1.078 179 L CA 0.753 55.699 54.840 0.178 0.000 0.749 179 L CB -0.303 41.773 42.059 0.028 0.000 0.901 179 L HN 0.037 nan 8.230 nan 0.000 0.433 180 M N -1.291 118.306 119.600 -0.005 0.000 2.086 180 M HA -0.213 4.264 4.480 -0.004 0.000 0.261 180 M C 2.386 178.642 176.300 -0.075 0.000 1.067 180 M CA 1.538 56.791 55.300 -0.080 0.000 1.116 180 M CB -0.613 31.871 32.600 -0.193 0.000 1.348 180 M HN 0.264 nan 8.290 nan 0.000 0.407 181 H N -0.679 118.350 119.070 -0.068 0.000 2.276 181 H HA -0.067 4.487 4.556 -0.004 0.000 0.301 181 H C 2.143 177.324 175.328 -0.245 0.000 1.073 181 H CA 1.422 57.341 56.048 -0.216 0.000 1.311 181 H CB -0.582 28.922 29.762 -0.429 0.000 1.379 181 H HN 0.466 nan 8.280 nan 0.000 0.494 182 H N -1.217 117.921 119.070 0.113 0.000 2.482 182 H HA -0.009 4.545 4.556 -0.004 0.000 0.286 182 H C 0.854 175.959 175.328 -0.371 0.000 1.017 182 H CA 0.788 56.744 56.048 -0.154 0.000 1.322 182 H CB 0.287 29.915 29.762 -0.224 0.000 1.426 182 H HN 0.399 nan 8.280 nan 0.000 0.546 183 Y N -0.146 120.209 120.300 0.092 0.000 2.588 183 Y HA 0.119 4.668 4.550 -0.003 0.000 0.247 183 Y C 0.359 176.250 175.900 -0.015 0.000 1.157 183 Y CA -0.454 57.660 58.100 0.024 0.000 1.215 183 Y CB 0.792 39.256 38.460 0.008 0.000 1.245 183 Y HN -0.035 nan 8.280 nan 0.000 0.534 184 D N 1.487 121.939 120.400 0.087 0.000 2.701 184 D HA -0.199 4.438 4.640 -0.004 0.000 0.235 184 D C 0.186 176.501 176.300 0.025 0.000 1.155 184 D CA 0.670 54.687 54.000 0.028 0.000 0.649 184 D CB -0.781 40.020 40.800 0.002 0.000 1.050 184 D HN 0.372 nan 8.370 nan 0.000 0.425 185 A N 0.770 123.616 122.820 0.043 0.000 2.462 185 A HA 0.259 4.577 4.320 -0.004 0.000 0.243 185 A C 0.470 178.042 177.584 -0.020 0.000 1.076 185 A CA 0.026 52.067 52.037 0.006 0.000 0.773 185 A CB 0.510 19.512 19.000 0.004 0.000 1.010 185 A HN 0.295 nan 8.150 nan 0.000 0.493 186 D N 3.303 123.685 120.400 -0.029 0.000 2.358 186 D HA 0.141 4.779 4.640 -0.004 0.000 0.258 186 D C -1.232 175.049 176.300 -0.032 0.000 1.223 186 D CA -1.690 52.292 54.000 -0.031 0.000 0.886 186 D CB 1.083 41.865 40.800 -0.030 0.000 1.120 186 D HN 0.230 nan 8.370 nan 0.000 0.482 187 P HA -0.140 nan 4.420 nan 0.000 0.218 187 P C 0.606 177.888 177.300 -0.029 0.000 1.148 187 P CA 0.744 63.822 63.100 -0.037 0.000 0.822 187 P CB 0.442 32.118 31.700 -0.040 0.000 0.784 188 D N -0.156 120.230 120.400 -0.024 0.000 2.265 188 D HA -0.124 4.513 4.640 -0.004 0.000 0.208 188 D C 1.727 178.016 176.300 -0.017 0.000 0.977 188 D CA 0.840 54.829 54.000 -0.018 0.000 0.871 188 D CB -0.228 40.563 40.800 -0.014 0.000 0.925 188 D HN 0.311 nan 8.370 nan 0.000 0.485 189 R N -0.023 120.464 120.500 -0.022 0.000 2.334 189 R HA 0.252 4.590 4.340 -0.004 0.000 0.216 189 R C 0.566 176.849 176.300 -0.028 0.000 0.905 189 R CA -0.100 55.986 56.100 -0.023 0.000 1.064 189 R CB 0.737 31.019 30.300 -0.030 0.000 1.046 189 R HN 0.193 nan 8.270 nan 0.000 0.508 190 I N 1.050 121.602 120.570 -0.029 0.000 2.359 190 I HA 0.153 4.321 4.170 -0.004 0.000 0.294 190 I C 0.009 176.109 176.117 -0.029 0.000 0.987 190 I CA -0.486 60.794 61.300 -0.033 0.000 1.225 190 I CB 1.825 39.802 38.000 -0.038 0.000 1.366 190 I HN -0.140 nan 8.210 nan 0.000 0.466 191 S N 5.250 120.932 115.700 -0.029 0.000 2.561 191 S HA 0.504 4.972 4.470 -0.004 0.000 0.303 191 S C -0.673 173.909 174.600 -0.030 0.000 1.110 191 S CA -0.582 57.603 58.200 -0.025 0.000 1.034 191 S CB 1.389 64.579 63.200 -0.017 0.000 1.010 191 S HN 0.292 nan 8.310 nan 0.000 0.482 192 V N 5.684 125.576 119.914 -0.037 0.000 2.389 192 V HA 0.343 4.460 4.120 -0.004 0.000 0.264 192 V C -0.255 175.798 176.094 -0.068 0.000 1.049 192 V CA -0.360 61.909 62.300 -0.053 0.000 0.932 192 V CB 0.961 32.748 31.823 -0.061 0.000 1.011 192 V HN 0.680 nan 8.190 nan 0.000 0.475 193 V N 4.786 124.668 119.914 -0.054 0.000 2.326 193 V HA 0.299 4.417 4.120 -0.004 0.000 0.281 193 V C 0.308 176.318 176.094 -0.139 0.000 1.015 193 V CA -0.325 61.939 62.300 -0.060 0.000 0.823 193 V CB 1.685 33.550 31.823 0.071 0.000 1.009 193 V HN 0.887 nan 8.190 nan 0.000 0.436 194 S N 8.196 123.638 115.700 -0.429 0.000 2.505 194 S HA 0.364 4.832 4.470 -0.004 0.000 0.276 194 S C -2.267 171.956 174.600 -0.629 0.000 1.274 194 S CA -0.851 56.924 58.200 -0.708 0.000 1.053 194 S CB 0.840 63.115 63.200 -1.543 0.000 0.919 194 S HN 0.570 nan 8.310 nan 0.000 0.490 195 P HA 0.197 nan 4.420 nan 0.000 0.272 195 P C 0.480 177.327 177.300 -0.755 0.000 1.230 195 P CA -0.273 62.519 63.100 -0.513 0.000 0.788 195 P CB 0.268 31.942 31.700 -0.042 0.000 0.949 196 G N 0.571 108.273 108.800 -1.830 0.000 2.634 196 G HA2 0.410 4.368 3.960 -0.004 0.000 0.255 196 G HA3 0.410 4.368 3.960 -0.004 0.000 0.255 196 G C -0.245 174.283 174.900 -0.622 0.000 1.205 196 G CA -0.254 44.029 45.100 -1.362 0.000 0.884 196 G HN 0.646 nan 8.290 nan 0.000 0.549 197 A N 0.183 122.861 122.820 -0.237 0.000 2.531 197 A HA 0.263 4.580 4.320 -0.004 0.000 0.236 197 A C 0.608 178.363 177.584 0.284 0.000 1.062 197 A CA -0.038 52.026 52.037 0.046 0.000 0.760 197 A CB 0.219 19.216 19.000 -0.005 0.000 0.995 197 A HN 0.616 nan 8.150 nan 0.000 0.501 198 D N 2.650 123.282 120.400 0.387 0.000 2.398 198 D HA 0.129 4.766 4.640 -0.004 0.000 0.250 198 D C 1.304 177.780 176.300 0.293 0.000 1.287 198 D CA 0.294 54.505 54.000 0.351 0.000 0.992 198 D CB 0.275 41.220 40.800 0.241 0.000 1.071 198 D HN 0.376 nan 8.370 nan 0.000 0.514 199 V N 1.325 121.392 119.914 0.254 0.000 3.380 199 V HA -0.009 4.108 4.120 -0.004 0.000 0.268 199 V C 1.598 177.753 176.094 0.100 0.000 1.168 199 V CA 0.787 63.192 62.300 0.175 0.000 1.156 199 V CB -0.299 31.609 31.823 0.142 0.000 0.785 199 V HN 0.136 nan 8.190 nan 0.000 0.487 200 E N 0.609 120.851 120.200 0.070 0.000 2.060 200 E HA 0.060 4.407 4.350 -0.004 0.000 0.189 200 E C 1.775 178.366 176.600 -0.015 0.000 0.974 200 E CA 1.164 57.576 56.400 0.019 0.000 0.808 200 E CB -0.391 29.311 29.700 0.004 0.000 0.768 200 E HN 0.517 nan 8.360 nan 0.000 0.453 201 L N -0.350 120.833 121.223 -0.066 0.000 2.005 201 L HA -0.074 4.264 4.340 -0.004 0.000 0.207 201 L C 0.082 176.801 176.870 -0.252 0.000 1.072 201 L CA 1.473 56.184 54.840 -0.215 0.000 0.744 201 L CB -0.245 41.587 42.059 -0.378 0.000 0.895 201 L HN 0.085 nan 8.230 nan 0.000 0.433 202 Y N 0.847 121.187 120.300 0.066 0.000 2.600 202 Y HA 0.442 4.989 4.550 -0.004 0.000 0.351 202 Y C 0.431 176.347 175.900 0.026 0.000 1.042 202 Y CA -0.338 57.792 58.100 0.050 0.000 1.333 202 Y CB -0.142 38.322 38.460 0.008 0.000 1.172 202 Y HN 0.189 nan 8.280 nan 0.000 0.517 203 S N 2.504 118.290 115.700 0.144 0.000 2.579 203 S HA 0.486 4.954 4.470 -0.004 0.000 0.272 203 S C -2.511 172.138 174.600 0.082 0.000 1.141 203 S CA -1.541 56.712 58.200 0.087 0.000 0.843 203 S CB 2.653 65.883 63.200 0.050 0.000 1.122 203 S HN 0.173 nan 8.310 nan 0.000 0.468 204 P HA 0.167 nan 4.420 nan 0.000 0.223 204 P C 1.093 178.420 177.300 0.046 0.000 1.151 204 P CA 1.667 64.800 63.100 0.054 0.000 0.787 204 P CB -0.708 31.016 31.700 0.039 0.000 0.788 205 G N 1.085 109.907 108.800 0.037 0.000 2.741 205 G HA2 -0.214 3.744 3.960 -0.004 0.000 0.222 205 G HA3 -0.214 3.744 3.960 -0.004 0.000 0.222 205 G C -0.202 174.711 174.900 0.021 0.000 1.364 205 G CA -0.161 44.955 45.100 0.027 0.000 0.866 205 G HN 0.621 nan 8.290 nan 0.000 0.555 206 N N 0.441 119.151 118.700 0.017 0.000 2.290 206 N HA 0.220 4.958 4.740 -0.004 0.000 0.269 206 N C 1.456 176.975 175.510 0.016 0.000 1.295 206 N CA 0.716 53.774 53.050 0.014 0.000 0.932 206 N CB 0.043 38.536 38.487 0.010 0.000 1.128 206 N HN 0.828 nan 8.380 nan 0.000 0.532 207 D N -1.506 118.902 120.400 0.013 0.000 2.351 207 D HA -0.161 4.477 4.640 -0.004 0.000 0.216 207 D C 0.695 177.004 176.300 0.015 0.000 0.968 207 D CA 0.932 54.940 54.000 0.014 0.000 0.899 207 D CB -0.021 40.785 40.800 0.012 0.000 0.907 207 D HN 0.404 nan 8.370 nan 0.000 0.514 208 R N -0.204 120.305 120.500 0.015 0.000 2.397 208 R HA 0.352 4.690 4.340 -0.004 0.000 0.241 208 R C 1.937 178.248 176.300 0.018 0.000 0.914 208 R CA 0.548 56.657 56.100 0.016 0.000 1.071 208 R CB 0.212 30.520 30.300 0.013 0.000 1.116 208 R HN 0.211 nan 8.270 nan 0.000 0.524 209 A N 0.851 123.684 122.820 0.021 0.000 1.902 209 A HA -0.186 4.132 4.320 -0.004 0.000 0.217 209 A C 2.266 179.868 177.584 0.030 0.000 1.181 209 A CA 2.315 54.368 52.037 0.026 0.000 0.623 209 A CB -0.666 18.353 19.000 0.030 0.000 0.818 209 A HN 0.313 nan 8.150 nan 0.000 0.443 210 T N -0.992 113.581 114.554 0.031 0.000 2.821 210 T HA -0.183 4.164 4.350 -0.004 0.000 0.267 210 T C 1.819 176.532 174.700 0.022 0.000 1.046 210 T CA 1.774 63.893 62.100 0.031 0.000 1.139 210 T CB -0.341 68.547 68.868 0.035 0.000 0.871 210 T HN 0.641 nan 8.240 nan 0.000 0.454 211 E N -0.025 120.186 120.200 0.018 0.000 2.070 211 E HA -0.254 4.094 4.350 -0.004 0.000 0.197 211 E C 2.487 179.094 176.600 0.011 0.000 1.004 211 E CA 1.190 57.598 56.400 0.012 0.000 0.805 211 E CB -0.094 29.614 29.700 0.014 0.000 0.744 211 E HN 0.353 nan 8.360 nan 0.000 0.451 212 R N 0.293 120.802 120.500 0.015 0.000 2.083 212 R HA -0.065 4.273 4.340 -0.004 0.000 0.237 212 R C 2.599 178.908 176.300 0.014 0.000 1.137 212 R CA 1.774 57.882 56.100 0.014 0.000 0.951 212 R CB -0.523 29.786 30.300 0.016 0.000 0.851 212 R HN 0.088 nan 8.270 nan 0.000 0.434 213 S N 0.269 115.980 115.700 0.019 0.000 2.359 213 S HA -0.115 4.352 4.470 -0.004 0.000 0.224 213 S C 1.859 176.466 174.600 0.011 0.000 1.035 213 S CA 1.122 59.334 58.200 0.021 0.000 1.018 213 S CB -0.163 63.057 63.200 0.034 0.000 0.876 213 S HN 0.232 nan 8.310 nan 0.000 0.448 214 R N 1.119 121.623 120.500 0.006 0.000 2.091 214 R HA 0.053 4.390 4.340 -0.004 0.000 0.238 214 R C 2.400 178.694 176.300 -0.009 0.000 1.136 214 R CA 0.963 57.059 56.100 -0.007 0.000 0.959 214 R CB -0.499 29.791 30.300 -0.016 0.000 0.856 214 R HN 0.362 nan 8.270 nan 0.000 0.437 215 R N 0.936 121.434 120.500 -0.004 0.000 2.073 215 R HA -0.095 4.243 4.340 -0.004 0.000 0.234 215 R C 2.154 178.455 176.300 0.001 0.000 1.134 215 R CA 1.152 57.251 56.100 -0.002 0.000 0.952 215 R CB -0.412 29.890 30.300 0.003 0.000 0.850 215 R HN 0.446 nan 8.270 nan 0.000 0.433 216 E N 0.707 120.909 120.200 0.004 0.000 2.070 216 E HA -0.167 4.181 4.350 -0.004 0.000 0.197 216 E C 1.899 178.501 176.600 0.004 0.000 1.004 216 E CA 1.116 57.520 56.400 0.006 0.000 0.805 216 E CB -0.122 29.583 29.700 0.009 0.000 0.744 216 E HN 0.257 nan 8.360 nan 0.000 0.451 217 L N -0.527 120.696 121.223 0.001 0.000 2.599 217 L HA 0.113 4.451 4.340 -0.004 0.000 0.230 217 L C 1.246 178.113 176.870 -0.005 0.000 1.141 217 L CA 0.287 55.126 54.840 -0.002 0.000 0.877 217 L CB -0.001 42.054 42.059 -0.006 0.000 1.009 217 L HN 0.295 nan 8.230 nan 0.000 0.447 218 G N 1.280 110.076 108.800 -0.007 0.000 2.176 218 G HA2 -0.286 3.672 3.960 -0.004 0.000 0.252 218 G HA3 -0.286 3.672 3.960 -0.004 0.000 0.252 218 G C 0.041 174.929 174.900 -0.020 0.000 1.024 218 G CA -0.032 45.063 45.100 -0.009 0.000 0.755 218 G HN 0.330 nan 8.290 nan 0.000 0.507 219 I N 0.890 121.442 120.570 -0.030 0.000 2.354 219 I HA 0.338 4.506 4.170 -0.004 0.000 0.292 219 I C -1.875 174.187 176.117 -0.091 0.000 0.989 219 I CA -2.648 58.621 61.300 -0.052 0.000 1.188 219 I CB 1.819 39.794 38.000 -0.041 0.000 1.342 219 I HN -0.151 nan 8.210 nan 0.000 0.457 220 P HA 0.085 nan 4.420 nan 0.000 0.268 220 P C 0.729 177.845 177.300 -0.306 0.000 1.208 220 P CA -0.148 62.781 63.100 -0.285 0.000 0.777 220 P CB 0.655 32.016 31.700 -0.564 0.000 0.875 221 L N 1.273 122.361 121.223 -0.224 0.000 2.217 221 L HA -0.158 4.180 4.340 -0.004 0.000 0.211 221 L C 2.050 178.876 176.870 -0.073 0.000 1.107 221 L CA 1.441 56.224 54.840 -0.096 0.000 0.783 221 L CB -1.024 41.030 42.059 -0.008 0.000 0.919 221 L HN 0.613 nan 8.230 nan 0.000 0.442 222 H N -2.501 116.580 119.070 0.019 0.000 2.548 222 H HA 0.108 4.661 4.556 -0.004 0.000 0.268 222 H C 0.726 176.067 175.328 0.021 0.000 0.975 222 H CA -0.039 56.020 56.048 0.018 0.000 1.195 222 H CB -1.004 28.768 29.762 0.017 0.000 1.397 222 H HN -0.010 nan 8.280 nan 0.000 0.572 223 T N 2.470 116.951 114.554 -0.122 0.000 2.930 223 T HA 0.097 4.445 4.350 -0.004 0.000 0.306 223 T C 0.266 174.979 174.700 0.022 0.000 1.045 223 T CA -0.582 61.517 62.100 -0.003 0.000 1.134 223 T CB 0.959 69.782 68.868 -0.075 0.000 0.961 223 T HN 0.221 nan 8.240 nan 0.000 0.545 224 K N 2.288 122.717 120.400 0.048 0.000 2.249 224 K HA 0.459 4.777 4.320 -0.004 0.000 0.280 224 K C -0.702 175.920 176.600 0.036 0.000 1.033 224 K CA -0.407 55.902 56.287 0.036 0.000 0.946 224 K CB 1.408 33.928 32.500 0.033 0.000 1.005 224 K HN 0.306 nan 8.250 nan 0.000 0.469 225 V N 3.201 123.133 119.914 0.030 0.000 2.487 225 V HA 0.277 4.395 4.120 -0.004 0.000 0.298 225 V C -0.303 175.814 176.094 0.039 0.000 1.028 225 V CA -1.013 61.305 62.300 0.030 0.000 0.860 225 V CB 2.032 33.866 31.823 0.017 0.000 0.991 225 V HN 0.401 nan 8.190 nan 0.000 0.427 226 V N 3.898 123.839 119.914 0.045 0.000 2.435 226 V HA 0.859 4.977 4.120 -0.004 0.000 0.290 226 V C 0.354 176.479 176.094 0.052 0.000 1.030 226 V CA -0.375 61.959 62.300 0.057 0.000 0.881 226 V CB 1.658 33.524 31.823 0.071 0.000 0.983 226 V HN 1.004 nan 8.190 nan 0.000 0.445 227 A N 4.556 127.417 122.820 0.067 0.000 2.355 227 A HA 0.891 5.208 4.320 -0.004 0.000 0.324 227 A C -1.275 176.381 177.584 0.120 0.000 1.117 227 A CA -0.497 51.578 52.037 0.063 0.000 0.785 227 A CB 1.323 20.339 19.000 0.027 0.000 1.254 227 A HN 0.809 nan 8.150 nan 0.000 0.453 228 F N 2.245 122.161 119.950 -0.057 0.000 2.507 228 F HA 0.660 5.185 4.527 -0.003 0.000 0.325 228 F C -1.056 174.707 175.800 -0.061 0.000 1.116 228 F CA -0.564 57.404 58.000 -0.053 0.000 0.930 228 F CB 1.888 40.832 39.000 -0.093 0.000 1.146 228 F HN 0.370 nan 8.300 nan 0.000 0.447 229 V N 5.279 124.951 119.914 -0.403 0.000 2.531 229 V HA 0.957 5.075 4.120 -0.004 0.000 0.301 229 V C -0.084 175.738 176.094 -0.453 0.000 1.034 229 V CA -0.089 62.056 62.300 -0.260 0.000 0.865 229 V CB 0.985 32.686 31.823 -0.204 0.000 0.995 229 V HN 1.196 nan 8.190 nan 0.000 0.424 230 G N 3.862 112.597 108.800 -0.108 0.000 2.361 230 G HA2 0.197 4.155 3.960 -0.004 0.000 0.305 230 G HA3 0.197 4.155 3.960 -0.004 0.000 0.305 230 G C -1.454 173.572 174.900 0.210 0.000 1.367 230 G CA -1.191 43.893 45.100 -0.027 0.000 0.951 230 G HN 0.449 nan 8.290 nan 0.000 0.615 231 R N -0.113 120.487 120.500 0.167 0.000 2.537 231 R HA 0.202 4.540 4.340 -0.004 0.000 0.280 231 R C 0.414 176.838 176.300 0.206 0.000 1.058 231 R CA -0.313 55.889 56.100 0.170 0.000 1.057 231 R CB 0.233 30.610 30.300 0.130 0.000 0.973 231 R HN 0.435 nan 8.270 nan 0.000 0.438 232 L N 5.071 126.377 121.223 0.139 0.000 2.387 232 L HA 0.104 4.442 4.340 -0.004 0.000 0.267 232 L C 0.227 177.180 176.870 0.138 0.000 1.197 232 L CA -0.186 54.657 54.840 0.005 0.000 1.070 232 L CB -0.314 41.741 42.059 -0.006 0.000 1.349 232 L HN 0.537 nan 8.230 nan 0.000 0.422 233 Q N 1.690 121.571 119.800 0.134 0.000 2.416 233 Q HA 0.474 4.812 4.340 -0.004 0.000 0.281 233 Q C -2.505 173.606 176.000 0.185 0.000 1.067 233 Q CA -1.716 54.218 55.803 0.218 0.000 0.809 233 Q CB 1.697 30.557 28.738 0.204 0.000 1.418 233 Q HN -0.124 nan 8.270 nan 0.000 0.411 234 P HA -0.129 nan 4.420 nan 0.000 0.218 234 P C 0.428 177.654 177.300 -0.123 0.000 1.148 234 P CA 1.216 64.289 63.100 -0.045 0.000 0.822 234 P CB -0.005 31.537 31.700 -0.264 0.000 0.784 235 F N 0.294 120.291 119.950 0.079 0.000 2.546 235 F HA -0.020 4.505 4.527 -0.004 0.000 0.298 235 F C 1.977 177.950 175.800 0.289 0.000 1.120 235 F CA 0.887 58.990 58.000 0.171 0.000 1.456 235 F CB -0.469 38.578 39.000 0.079 0.000 1.088 235 F HN -0.164 nan 8.300 nan 0.000 0.572 236 K N -0.092 120.524 120.400 0.360 0.000 2.374 236 K HA 0.249 4.567 4.320 -0.004 0.000 0.196 236 K C 1.422 178.214 176.600 0.320 0.000 1.023 236 K CA 0.675 57.157 56.287 0.325 0.000 1.103 236 K CB -0.282 32.425 32.500 0.345 0.000 0.848 236 K HN 0.199 nan 8.250 nan 0.000 0.528 237 G N 3.211 112.159 108.800 0.245 0.000 2.249 237 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.273 237 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.273 237 G C -1.245 173.582 174.900 -0.121 0.000 1.036 237 G CA 0.386 45.544 45.100 0.096 0.000 0.824 237 G HN 0.211 nan 8.290 nan 0.000 0.504 238 P HA -0.177 nan 4.420 nan 0.000 0.218 238 P C 2.032 179.072 177.300 -0.434 0.000 1.149 238 P CA 1.640 64.213 63.100 -0.879 0.000 0.817 238 P CB 0.033 30.908 31.700 -1.374 0.000 0.785 239 Q N 0.563 120.263 119.800 -0.167 0.000 2.181 239 Q HA -0.091 4.247 4.340 -0.004 0.000 0.205 239 Q C 1.946 177.929 176.000 -0.028 0.000 0.980 239 Q CA 1.604 57.431 55.803 0.040 0.000 0.862 239 Q CB -1.931 26.908 28.738 0.168 0.000 0.905 239 Q HN 0.118 nan 8.270 nan 0.000 0.429 240 V N 1.571 121.427 119.914 -0.096 0.000 2.295 240 V HA -0.249 3.869 4.120 -0.004 0.000 0.246 240 V C 2.551 178.506 176.094 -0.231 0.000 1.049 240 V CA 1.714 63.898 62.300 -0.193 0.000 1.024 240 V CB -0.878 30.701 31.823 -0.407 0.000 0.648 240 V HN 0.292 nan 8.190 nan 0.000 0.447 241 L N 0.031 121.094 121.223 -0.266 0.000 2.017 241 L HA -0.144 4.194 4.340 -0.004 0.000 0.208 241 L C 2.192 179.025 176.870 -0.061 0.000 1.073 241 L CA 1.907 56.651 54.840 -0.160 0.000 0.745 241 L CB -0.567 41.405 42.059 -0.146 0.000 0.894 241 L HN 0.219 nan 8.230 nan 0.000 0.432 242 I N -0.516 120.012 120.570 -0.069 0.000 2.163 242 I HA -0.348 3.820 4.170 -0.004 0.000 0.243 242 I C 2.415 178.561 176.117 0.049 0.000 1.085 242 I CA 1.642 62.945 61.300 0.004 0.000 1.347 242 I CB -0.338 37.693 38.000 0.052 0.000 1.044 242 I HN 0.243 nan 8.210 nan 0.000 0.408 243 K N 0.517 120.942 120.400 0.042 0.000 2.155 243 K HA -0.046 4.272 4.320 -0.004 0.000 0.203 243 K C 2.199 178.851 176.600 0.086 0.000 1.052 243 K CA 1.197 57.523 56.287 0.066 0.000 0.948 243 K CB -0.184 32.352 32.500 0.060 0.000 0.728 243 K HN 0.310 nan 8.250 nan 0.000 0.448 244 A N 0.799 123.666 122.820 0.079 0.000 1.930 244 A HA -0.089 4.228 4.320 -0.004 0.000 0.217 244 A C 2.274 179.934 177.584 0.126 0.000 1.175 244 A CA 1.129 53.239 52.037 0.123 0.000 0.627 244 A CB -0.452 18.649 19.000 0.168 0.000 0.815 244 A HN 0.054 nan 8.150 nan 0.000 0.443 245 V N -0.119 119.873 119.914 0.129 0.000 2.358 245 V HA -0.226 3.892 4.120 -0.004 0.000 0.246 245 V C 3.042 179.304 176.094 0.280 0.000 1.047 245 V CA 1.808 64.224 62.300 0.194 0.000 1.035 245 V CB -1.185 30.752 31.823 0.190 0.000 0.658 245 V HN 0.600 nan 8.190 nan 0.000 0.452 246 A N 0.135 123.074 122.820 0.198 0.000 1.902 246 A HA -0.145 4.173 4.320 -0.004 0.000 0.217 246 A C 2.441 180.134 177.584 0.181 0.000 1.181 246 A CA 2.170 54.321 52.037 0.189 0.000 0.623 246 A CB -0.814 18.256 19.000 0.117 0.000 0.818 246 A HN 0.567 nan 8.150 nan 0.000 0.443 247 A N -0.283 122.621 122.820 0.139 0.000 1.902 247 A HA -0.062 4.256 4.320 -0.004 0.000 0.217 247 A C 2.194 179.830 177.584 0.086 0.000 1.181 247 A CA 1.490 53.595 52.037 0.112 0.000 0.623 247 A CB -0.640 18.429 19.000 0.115 0.000 0.818 247 A HN 0.477 nan 8.150 nan 0.000 0.443 248 L N -1.965 119.294 121.223 0.059 0.000 1.990 248 L HA -0.234 4.104 4.340 -0.004 0.000 0.213 248 L C 2.572 179.369 176.870 -0.121 0.000 1.072 248 L CA 1.869 56.671 54.840 -0.063 0.000 0.755 248 L CB -0.640 41.325 42.059 -0.157 0.000 0.889 248 L HN 0.443 nan 8.230 nan 0.000 0.432 249 F N 0.100 120.072 119.950 0.036 0.000 2.216 249 F HA -0.240 4.285 4.527 -0.004 0.000 0.300 249 F C 2.342 178.159 175.800 0.029 0.000 1.085 249 F CA 1.201 59.219 58.000 0.030 0.000 1.326 249 F CB -0.372 38.645 39.000 0.028 0.000 1.027 249 F HN 0.162 nan 8.300 nan 0.000 0.497 250 D N -0.027 120.483 120.400 0.183 0.000 2.123 250 D HA -0.145 4.493 4.640 -0.004 0.000 0.196 250 D C 2.314 178.656 176.300 0.070 0.000 0.992 250 D CA 1.166 55.233 54.000 0.112 0.000 0.833 250 D CB -0.322 40.532 40.800 0.090 0.000 0.954 250 D HN 0.237 nan 8.370 nan 0.000 0.455 251 R N -0.280 120.247 120.500 0.045 0.000 2.075 251 R HA -0.046 4.292 4.340 -0.004 0.000 0.232 251 R C 0.077 176.382 176.300 0.009 0.000 1.126 251 R CA 1.126 57.237 56.100 0.019 0.000 0.963 251 R CB 0.167 30.468 30.300 0.002 0.000 0.858 251 R HN 0.057 nan 8.270 nan 0.000 0.435 252 D N -1.634 118.763 120.400 -0.005 0.000 2.452 252 D HA 0.082 4.720 4.640 -0.004 0.000 0.226 252 D C -2.284 174.019 176.300 0.005 0.000 1.366 252 D CA -1.759 52.236 54.000 -0.008 0.000 0.986 252 D CB 1.658 42.435 40.800 -0.039 0.000 1.420 252 D HN -0.207 nan 8.370 nan 0.000 0.583 253 P HA 0.055 nan 4.420 nan 0.000 0.230 253 P C -0.509 176.928 177.300 0.229 0.000 1.158 253 P CA 0.391 63.636 63.100 0.242 0.000 0.769 253 P CB 0.347 32.152 31.700 0.174 0.000 0.807 254 D N 0.859 121.317 120.400 0.096 0.000 2.499 254 D HA 0.146 4.784 4.640 -0.004 0.000 0.225 254 D C 1.153 177.468 176.300 0.026 0.000 1.124 254 D CA -0.190 53.858 54.000 0.079 0.000 0.938 254 D CB 0.674 41.502 40.800 0.046 0.000 1.014 254 D HN 0.023 nan 8.370 nan 0.000 0.517 255 R N 0.539 121.066 120.500 0.045 0.000 2.419 255 R HA 0.105 4.443 4.340 -0.004 0.000 0.235 255 R C 0.463 176.784 176.300 0.035 0.000 0.899 255 R CA -0.311 55.758 56.100 -0.052 0.000 1.048 255 R CB -0.075 30.031 30.300 -0.323 0.000 1.182 255 R HN 0.445 nan 8.270 nan 0.000 0.544 256 N N 1.418 120.183 118.700 0.109 0.000 2.698 256 N HA -0.212 4.526 4.740 -0.004 0.000 0.258 256 N C -1.011 174.573 175.510 0.125 0.000 0.978 256 N CA 0.196 53.325 53.050 0.132 0.000 0.777 256 N CB -0.438 38.126 38.487 0.128 0.000 0.907 256 N HN 0.156 nan 8.380 nan 0.000 0.543 257 L N 1.172 122.500 121.223 0.175 0.000 2.362 257 L HA 0.566 4.903 4.340 -0.004 0.000 0.275 257 L C -0.568 176.437 176.870 0.225 0.000 0.998 257 L CA -0.668 54.272 54.840 0.168 0.000 0.820 257 L CB 1.418 43.544 42.059 0.112 0.000 1.270 257 L HN 0.122 nan 8.230 nan 0.000 0.415 258 R N 3.333 123.909 120.500 0.127 0.000 2.795 258 R HA 0.674 5.011 4.340 -0.004 0.000 0.275 258 R C -1.357 174.976 176.300 0.056 0.000 0.981 258 R CA -0.720 55.432 56.100 0.086 0.000 0.917 258 R CB 2.406 32.727 30.300 0.035 0.000 1.202 258 R HN 0.381 nan 8.270 nan 0.000 0.469 259 V N 3.561 123.487 119.914 0.019 0.000 2.604 259 V HA 0.584 4.702 4.120 -0.004 0.000 0.305 259 V C 0.201 176.243 176.094 -0.087 0.000 1.043 259 V CA -0.906 61.383 62.300 -0.019 0.000 0.888 259 V CB 2.017 33.825 31.823 -0.023 0.000 0.995 259 V HN 0.678 nan 8.190 nan 0.000 0.429 260 I N 2.403 122.927 120.570 -0.076 0.000 2.465 260 I HA 0.708 4.875 4.170 -0.004 0.000 0.291 260 I C -0.997 175.062 176.117 -0.097 0.000 1.014 260 I CA -0.634 60.603 61.300 -0.105 0.000 1.093 260 I CB 1.913 39.879 38.000 -0.057 0.000 1.267 260 I HN 0.414 nan 8.210 nan 0.000 0.431 261 I N 6.109 126.576 120.570 -0.172 0.000 2.410 261 I HA 0.356 4.523 4.170 -0.004 0.000 0.286 261 I C -0.936 175.206 176.117 0.043 0.000 1.009 261 I CA -0.561 60.690 61.300 -0.083 0.000 1.111 261 I CB 1.884 39.672 38.000 -0.354 0.000 1.262 261 I HN 0.690 nan 8.210 nan 0.000 0.443 262 C N 4.934 124.309 119.300 0.124 0.000 2.346 262 C HA 0.835 5.293 4.460 -0.004 0.000 0.326 262 C C 0.785 175.860 174.990 0.142 0.000 1.224 262 C CA 0.078 59.154 59.018 0.098 0.000 1.408 262 C CB -0.033 27.709 27.740 0.004 0.000 2.089 262 C HN 1.057 nan 8.230 nan 0.000 0.456 263 G N 3.655 112.546 108.800 0.151 0.000 4.694 263 G HA2 0.299 4.257 3.960 -0.004 0.000 0.218 263 G HA3 0.299 4.257 3.960 -0.004 0.000 0.218 263 G C 0.225 175.203 174.900 0.129 0.000 0.652 263 G CA 0.409 45.605 45.100 0.160 0.000 0.904 263 G HN 1.141 nan 8.290 nan 0.000 0.667 264 G N 1.308 110.177 108.800 0.114 0.000 2.372 264 G HA2 0.633 4.591 3.960 -0.004 0.000 0.283 264 G HA3 0.633 4.591 3.960 -0.004 0.000 0.283 264 G C -2.033 172.923 174.900 0.094 0.000 1.177 264 G CA -1.123 44.031 45.100 0.091 0.000 0.842 264 G HN 0.067 nan 8.290 nan 0.000 0.503 265 P HA 0.137 nan 4.420 nan 0.000 0.272 265 P C 0.258 177.607 177.300 0.082 0.000 1.230 265 P CA -0.201 62.945 63.100 0.077 0.000 0.788 265 P CB 1.315 33.038 31.700 0.038 0.000 0.949 275 Y N 1.763 121.878 120.300 -0.308 0.000 2.337 275 Y HA 0.306 4.854 4.550 -0.004 0.000 0.293 275 Y C 2.543 178.324 175.900 -0.199 0.000 1.123 275 Y CA 0.783 58.768 58.100 -0.193 0.000 1.201 275 Y CB -0.058 38.339 38.460 -0.106 0.000 1.011 275 Y HN 0.073 nan 8.280 nan 0.000 0.545 276 R N -0.433 119.788 120.500 -0.464 0.000 2.073 276 R HA -0.132 4.206 4.340 -0.004 0.000 0.229 276 R C 1.810 178.120 176.300 0.017 0.000 1.120 276 R CA 1.495 57.480 56.100 -0.190 0.000 0.967 276 R CB -0.375 29.757 30.300 -0.279 0.000 0.862 276 R HN 0.503 nan 8.270 nan 0.000 0.436 277 H N -0.185 118.820 119.070 -0.109 0.000 2.321 277 H HA -0.238 4.315 4.556 -0.004 0.000 0.295 277 H C 2.266 177.571 175.328 -0.039 0.000 1.102 277 H CA 1.888 57.891 56.048 -0.075 0.000 1.266 277 H CB -0.105 29.593 29.762 -0.107 0.000 1.363 277 H HN 0.233 nan 8.280 nan 0.000 0.492 278 M N 0.628 120.281 119.600 0.089 0.000 2.080 278 M HA -0.195 4.282 4.480 -0.004 0.000 0.260 278 M C 2.550 178.909 176.300 0.099 0.000 1.068 278 M CA 1.731 57.074 55.300 0.072 0.000 1.109 278 M CB -0.061 32.580 32.600 0.069 0.000 1.342 278 M HN 0.345 nan 8.290 nan 0.000 0.405 279 A N 0.864 123.770 122.820 0.144 0.000 1.902 279 A HA -0.224 4.094 4.320 -0.004 0.000 0.217 279 A C 1.805 179.442 177.584 0.088 0.000 1.181 279 A CA 1.925 54.046 52.037 0.140 0.000 0.623 279 A CB -0.924 18.216 19.000 0.233 0.000 0.818 279 A HN 0.812 nan 8.150 nan 0.000 0.443 280 E N -0.312 119.940 120.200 0.087 0.000 2.152 280 E HA -0.189 4.159 4.350 -0.004 0.000 0.192 280 E C 1.852 178.470 176.600 0.030 0.000 0.983 280 E CA 0.977 57.408 56.400 0.051 0.000 0.818 280 E CB -0.472 29.259 29.700 0.051 0.000 0.758 280 E HN 0.725 nan 8.360 nan 0.000 0.467 281 E N 1.022 121.241 120.200 0.031 0.000 2.130 281 E HA -0.195 4.153 4.350 -0.004 0.000 0.196 281 E C 1.817 178.430 176.600 0.021 0.000 0.998 281 E CA 1.228 57.638 56.400 0.016 0.000 0.806 281 E CB -0.021 29.689 29.700 0.016 0.000 0.738 281 E HN 0.389 nan 8.360 nan 0.000 0.459 282 L N -0.984 120.259 121.223 0.033 0.000 2.607 282 L HA 0.222 4.559 4.340 -0.004 0.000 0.228 282 L C 1.311 178.195 176.870 0.024 0.000 1.123 282 L CA 0.324 55.185 54.840 0.036 0.000 0.890 282 L CB 0.485 42.576 42.059 0.052 0.000 1.103 282 L HN 0.353 nan 8.230 nan 0.000 0.468 283 G N 0.765 109.571 108.800 0.010 0.000 2.143 283 G HA2 -0.269 3.689 3.960 -0.004 0.000 0.248 283 G HA3 -0.269 3.689 3.960 -0.004 0.000 0.248 283 G C 0.608 175.474 174.900 -0.058 0.000 0.991 283 G CA 0.406 45.498 45.100 -0.015 0.000 0.689 283 G HN 0.322 nan 8.290 nan 0.000 0.522 284 V N -1.710 118.175 119.914 -0.048 0.000 3.214 284 V HA 0.449 4.567 4.120 -0.004 0.000 0.330 284 V C 1.811 177.861 176.094 -0.073 0.000 1.403 284 V CA 0.973 63.205 62.300 -0.114 0.000 1.143 284 V CB 0.740 32.524 31.823 -0.066 0.000 1.098 284 V HN 0.441 nan 8.190 nan 0.000 0.463 285 E N 2.049 122.238 120.200 -0.018 0.000 2.268 285 E HA -0.206 4.141 4.350 -0.004 0.000 0.195 285 E C 1.288 177.888 176.600 -0.001 0.000 0.995 285 E CA 1.192 57.612 56.400 0.034 0.000 0.836 285 E CB -0.109 29.633 29.700 0.069 0.000 0.763 285 E HN 0.612 nan 8.360 nan 0.000 0.491 286 K N 0.052 120.420 120.400 -0.054 0.000 2.404 286 K HA 0.176 4.494 4.320 -0.004 0.000 0.194 286 K C 1.509 178.046 176.600 -0.104 0.000 1.023 286 K CA 0.051 56.300 56.287 -0.063 0.000 1.094 286 K CB 0.483 32.944 32.500 -0.064 0.000 0.841 286 K HN -0.060 nan 8.250 nan 0.000 0.523 287 R N -0.025 120.383 120.500 -0.153 0.000 2.404 287 R HA 0.317 4.655 4.340 -0.004 0.000 0.237 287 R C -0.096 176.156 176.300 -0.080 0.000 0.907 287 R CA 0.207 56.210 56.100 -0.161 0.000 1.063 287 R CB 0.692 30.742 30.300 -0.416 0.000 1.134 287 R HN 0.112 nan 8.270 nan 0.000 0.529 288 I N 1.286 121.797 120.570 -0.098 0.000 2.468 288 I HA 0.353 4.521 4.170 -0.004 0.000 0.285 288 I C -0.306 175.679 176.117 -0.221 0.000 1.039 288 I CA -0.794 60.396 61.300 -0.184 0.000 1.074 288 I CB 2.320 40.181 38.000 -0.232 0.000 1.228 288 I HN -0.256 nan 8.210 nan 0.000 0.436 289 R N 5.489 125.844 120.500 -0.242 0.000 2.460 289 R HA 0.595 4.933 4.340 -0.004 0.000 0.303 289 R C -1.556 174.561 176.300 -0.304 0.000 0.968 289 R CA -0.450 55.558 56.100 -0.154 0.000 0.889 289 R CB 1.187 31.453 30.300 -0.057 0.000 1.123 289 R HN 0.335 nan 8.270 nan 0.000 0.455 290 F N 5.119 125.068 119.950 -0.003 0.000 2.405 290 F HA 0.354 4.879 4.527 -0.004 0.000 0.355 290 F C -0.097 175.705 175.800 0.003 0.000 1.121 290 F CA -0.570 57.428 58.000 -0.003 0.000 1.112 290 F CB 1.077 40.074 39.000 -0.005 0.000 1.126 290 F HN 0.149 nan 8.300 nan 0.000 0.481 291 L N 3.368 124.672 121.223 0.134 0.000 2.325 291 L HA 0.425 4.763 4.340 -0.004 0.000 0.278 291 L C -0.377 176.549 176.870 0.092 0.000 1.023 291 L CA -1.171 53.719 54.840 0.082 0.000 0.811 291 L CB 1.212 43.290 42.059 0.032 0.000 1.249 291 L HN 0.440 nan 8.230 nan 0.000 0.431 292 D N 3.437 123.879 120.400 0.071 0.000 2.399 292 D HA 0.139 4.776 4.640 -0.004 0.000 0.241 292 D C -2.102 174.230 176.300 0.054 0.000 1.133 292 D CA -0.879 53.158 54.000 0.062 0.000 0.890 292 D CB 0.530 41.358 40.800 0.047 0.000 1.201 292 D HN 0.241 nan 8.370 nan 0.000 0.432 293 P HA -0.007 nan 4.420 nan 0.000 0.266 293 P C -0.126 177.200 177.300 0.044 0.000 1.193 293 P CA 0.251 63.383 63.100 0.053 0.000 0.770 293 P CB 0.583 32.318 31.700 0.059 0.000 0.836 294 R N 1.881 122.406 120.500 0.041 0.000 2.764 294 R HA 0.673 5.011 4.340 -0.004 0.000 0.270 294 R C -2.854 173.478 176.300 0.053 0.000 1.014 294 R CA -2.132 53.992 56.100 0.040 0.000 0.904 294 R CB 0.293 30.611 30.300 0.030 0.000 1.236 294 R HN 0.193 nan 8.270 nan 0.000 0.466 295 P HA 0.220 nan 4.420 nan 0.000 0.273 295 P C -2.163 175.188 177.300 0.085 0.000 1.250 295 P CA -1.370 61.769 63.100 0.066 0.000 0.793 295 P CB 0.301 32.032 31.700 0.050 0.000 1.011 296 P HA -0.214 nan 4.420 nan 0.000 0.216 296 P C 1.782 179.102 177.300 0.034 0.000 1.154 296 P CA 2.169 65.361 63.100 0.152 0.000 0.865 296 P CB -0.399 31.374 31.700 0.122 0.000 0.789 297 S N -1.206 114.491 115.700 -0.005 0.000 2.419 297 S HA -0.139 4.329 4.470 -0.004 0.000 0.233 297 S C 1.746 176.350 174.600 0.006 0.000 1.016 297 S CA 1.021 59.203 58.200 -0.031 0.000 0.974 297 S CB -0.823 62.366 63.200 -0.020 0.000 0.786 297 S HN 0.103 nan 8.310 nan 0.000 0.492 298 E N 0.555 120.774 120.200 0.031 0.000 2.340 298 E HA 0.211 4.559 4.350 -0.004 0.000 0.194 298 E C 1.732 178.358 176.600 0.043 0.000 0.996 298 E CA 0.100 56.520 56.400 0.032 0.000 0.869 298 E CB -0.325 29.391 29.700 0.027 0.000 0.835 298 E HN 0.387 nan 8.360 nan 0.000 0.493 299 L N 0.842 122.113 121.223 0.081 0.000 2.201 299 L HA -0.096 4.242 4.340 -0.004 0.000 0.212 299 L C 2.141 179.096 176.870 0.142 0.000 1.105 299 L CA 0.901 55.780 54.840 0.065 0.000 0.775 299 L CB -0.454 41.697 42.059 0.154 0.000 0.913 299 L HN -0.102 nan 8.230 nan 0.000 0.440 300 V N -0.355 119.720 119.914 0.269 0.000 2.332 300 V HA -0.335 3.783 4.120 -0.004 0.000 0.248 300 V C 2.752 178.970 176.094 0.205 0.000 1.055 300 V CA 1.627 64.129 62.300 0.337 0.000 1.038 300 V CB -1.561 30.343 31.823 0.135 0.000 0.651 300 V HN 0.535 nan 8.190 nan 0.000 0.450 301 A N -0.084 122.794 122.820 0.098 0.000 1.940 301 A HA -0.158 4.160 4.320 -0.004 0.000 0.219 301 A C 2.409 180.013 177.584 0.033 0.000 1.176 301 A CA 2.137 54.210 52.037 0.059 0.000 0.631 301 A CB -0.704 18.315 19.000 0.032 0.000 0.814 301 A HN 0.359 nan 8.150 nan 0.000 0.446 302 V N -1.325 118.572 119.914 -0.028 0.000 2.261 302 V HA -0.296 3.822 4.120 -0.004 0.000 0.246 302 V C 2.398 178.459 176.094 -0.054 0.000 1.047 302 V CA 2.116 64.356 62.300 -0.099 0.000 1.015 302 V CB -1.158 30.526 31.823 -0.232 0.000 0.642 302 V HN 0.639 nan 8.190 nan 0.000 0.446 303 Y N 0.686 121.019 120.300 0.054 0.000 2.181 303 Y HA -0.165 4.383 4.550 -0.003 0.000 0.288 303 Y C 2.695 178.621 175.900 0.042 0.000 1.146 303 Y CA 1.362 59.484 58.100 0.036 0.000 1.164 303 Y CB -0.665 37.819 38.460 0.040 0.000 0.982 303 Y HN 0.135 nan 8.280 nan 0.000 0.515 304 R N -0.387 120.241 120.500 0.213 0.000 2.081 304 R HA -0.120 4.218 4.340 -0.004 0.000 0.235 304 R C 2.474 178.825 176.300 0.085 0.000 1.131 304 R CA 1.172 57.351 56.100 0.132 0.000 0.960 304 R CB -0.623 29.743 30.300 0.109 0.000 0.856 304 R HN 0.317 nan 8.270 nan 0.000 0.436 305 A N 1.493 124.352 122.820 0.065 0.000 1.969 305 A HA 0.101 4.418 4.320 -0.004 0.000 0.218 305 A C 1.209 178.816 177.584 0.038 0.000 1.169 305 A CA 0.859 52.918 52.037 0.037 0.000 0.635 305 A CB -0.285 18.726 19.000 0.017 0.000 0.810 305 A HN 0.358 nan 8.150 nan 0.000 0.445 306 A N 0.290 123.143 122.820 0.055 0.000 2.511 306 A HA 0.304 4.622 4.320 -0.004 0.000 0.242 306 A C 0.541 178.158 177.584 0.054 0.000 1.069 306 A CA 0.198 52.269 52.037 0.058 0.000 0.763 306 A CB 0.180 19.231 19.000 0.083 0.000 1.001 306 A HN 0.406 nan 8.150 nan 0.000 0.498 307 D N 0.800 121.226 120.400 0.043 0.000 2.271 307 D HA 0.149 4.786 4.640 -0.004 0.000 0.206 307 D C 0.124 176.445 176.300 0.035 0.000 0.967 307 D CA 1.339 55.360 54.000 0.035 0.000 0.867 307 D CB 0.224 41.040 40.800 0.027 0.000 0.960 307 D HN 0.552 nan 8.370 nan 0.000 0.509 308 I N 0.459 121.056 120.570 0.045 0.000 2.752 308 I HA 0.163 4.331 4.170 -0.004 0.000 0.295 308 I C -0.965 175.194 176.117 0.071 0.000 1.219 308 I CA -0.823 60.506 61.300 0.048 0.000 1.030 308 I CB 3.367 41.394 38.000 0.045 0.000 1.259 308 I HN -0.414 nan 8.210 nan 0.000 0.423 309 V N 4.374 124.332 119.914 0.073 0.000 2.398 309 V HA 0.654 4.772 4.120 -0.004 0.000 0.286 309 V C 0.202 176.355 176.094 0.098 0.000 1.026 309 V CA -0.506 61.848 62.300 0.089 0.000 0.868 309 V CB 1.600 33.485 31.823 0.104 0.000 0.982 309 V HN 0.804 nan 8.190 nan 0.000 0.443 310 A N 4.539 127.440 122.820 0.136 0.000 2.260 310 A HA 0.670 4.987 4.320 -0.004 0.000 0.308 310 A C -0.269 177.395 177.584 0.133 0.000 1.254 310 A CA -0.383 51.790 52.037 0.226 0.000 0.874 310 A CB 1.236 20.394 19.000 0.263 0.000 1.153 310 A HN 1.283 nan 8.150 nan 0.000 0.527 311 V N 4.243 124.261 119.914 0.174 0.000 2.266 311 V HA 0.499 4.617 4.120 -0.004 0.000 0.266 311 V C -2.566 173.590 176.094 0.103 0.000 1.036 311 V CA -1.852 60.474 62.300 0.044 0.000 0.828 311 V CB 1.481 33.271 31.823 -0.056 0.000 1.081 311 V HN 0.631 nan 8.190 nan 0.000 0.449 312 P HA 0.277 nan 4.420 nan 0.000 0.228 312 P C 0.263 177.495 177.300 -0.114 0.000 1.764 312 P CA 0.062 62.902 63.100 -0.433 0.000 0.929 312 P CB -0.136 30.895 31.700 -1.115 0.000 1.675 313 S N -0.068 115.664 115.700 0.053 0.000 2.560 313 S HA 0.165 4.633 4.470 -0.004 0.000 0.284 313 S C 0.756 175.445 174.600 0.147 0.000 1.327 313 S CA -0.025 58.252 58.200 0.129 0.000 1.055 313 S CB 0.160 63.447 63.200 0.145 0.000 0.868 313 S HN 0.130 nan 8.310 nan 0.000 0.506 314 F N 1.288 121.337 119.950 0.165 0.000 2.374 314 F HA 0.170 4.695 4.527 -0.004 0.000 0.291 314 F C 0.978 176.904 175.800 0.210 0.000 1.084 314 F CA 0.199 58.269 58.000 0.116 0.000 1.413 314 F CB 0.119 39.125 39.000 0.011 0.000 1.099 314 F HN 0.456 nan 8.300 nan 0.000 0.534 315 N N -0.132 118.807 118.700 0.398 0.000 2.314 315 N HA 0.418 5.155 4.740 -0.004 0.000 0.294 315 N C -1.210 174.404 175.510 0.173 0.000 1.029 315 N CA -0.427 52.761 53.050 0.230 0.000 0.845 315 N CB 1.798 40.368 38.487 0.139 0.000 1.321 315 N HN -0.129 nan 8.380 nan 0.000 0.481 316 E N 0.722 120.999 120.200 0.128 0.000 2.738 316 E HA 0.082 4.429 4.350 -0.004 0.000 0.347 316 E C 0.136 176.794 176.600 0.097 0.000 1.077 316 E CA -0.376 56.087 56.400 0.105 0.000 0.755 316 E CB 0.032 29.784 29.700 0.086 0.000 1.576 316 E HN 0.554 nan 8.360 nan 0.000 0.379 317 S N 2.709 118.475 115.700 0.109 0.000 2.409 317 S HA -0.238 4.229 4.470 -0.004 0.000 0.237 317 S C 1.233 175.930 174.600 0.162 0.000 1.060 317 S CA 1.803 60.078 58.200 0.125 0.000 1.052 317 S CB -0.161 63.105 63.200 0.110 0.000 0.871 317 S HN 0.566 nan 8.310 nan 0.000 0.465 318 F N -0.298 119.643 119.950 -0.014 0.000 1.788 318 F HA 0.434 4.959 4.527 -0.005 0.000 0.235 318 F C 1.122 176.895 175.800 -0.045 0.000 1.248 318 F CA 0.550 58.528 58.000 -0.036 0.000 1.301 318 F CB -0.012 38.960 39.000 -0.047 0.000 1.951 318 F HN 0.382 nan 8.300 nan 0.000 0.199 319 G N 2.359 111.108 108.800 -0.085 0.000 2.203 319 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.231 319 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.231 319 G C 0.498 175.268 174.900 -0.217 0.000 1.058 319 G CA 0.328 45.325 45.100 -0.172 0.000 0.781 319 G HN 0.595 nan 8.290 nan 0.000 0.496 320 L N 0.102 121.316 121.223 -0.015 0.000 2.042 320 L HA 0.033 4.371 4.340 -0.004 0.000 0.210 320 L C 2.740 179.553 176.870 -0.096 0.000 1.076 320 L CA 2.808 57.663 54.840 0.025 0.000 0.749 320 L CB -0.586 41.613 42.059 0.233 0.000 0.893 320 L HN 0.317 nan 8.230 nan 0.000 0.432 321 V N 0.094 119.962 119.914 -0.077 0.000 2.295 321 V HA -0.312 3.806 4.120 -0.004 0.000 0.246 321 V C 2.821 178.794 176.094 -0.201 0.000 1.049 321 V CA 1.667 63.903 62.300 -0.107 0.000 1.024 321 V CB -1.289 30.487 31.823 -0.079 0.000 0.648 321 V HN 0.636 nan 8.190 nan 0.000 0.447 322 A N -0.886 121.836 122.820 -0.163 0.000 1.940 322 A HA -0.249 4.069 4.320 -0.004 0.000 0.219 322 A C 2.220 179.684 177.584 -0.200 0.000 1.176 322 A CA 2.143 54.085 52.037 -0.158 0.000 0.631 322 A CB -0.438 18.493 19.000 -0.115 0.000 0.814 322 A HN 0.421 nan 8.150 nan 0.000 0.446 323 M N -0.749 118.720 119.600 -0.219 0.000 2.288 323 M HA -0.046 4.432 4.480 -0.004 0.000 0.266 323 M C 1.889 178.022 176.300 -0.277 0.000 1.072 323 M CA 1.168 56.349 55.300 -0.199 0.000 1.132 323 M CB -1.124 31.354 32.600 -0.203 0.000 1.386 323 M HN 0.551 nan 8.290 nan 0.000 0.432 324 E N 0.351 120.282 120.200 -0.448 0.000 2.077 324 E HA -0.144 4.204 4.350 -0.004 0.000 0.193 324 E C 2.069 178.050 176.600 -1.031 0.000 0.989 324 E CA 1.350 57.260 56.400 -0.817 0.000 0.800 324 E CB -0.113 28.875 29.700 -1.187 0.000 0.746 324 E HN 0.470 nan 8.360 nan 0.000 0.452 325 A N 1.439 123.611 122.820 -1.079 0.000 1.858 325 A HA -0.281 4.037 4.320 -0.004 0.000 0.216 325 A C 2.109 179.500 177.584 -0.323 0.000 1.190 325 A CA 1.631 53.202 52.037 -0.776 0.000 0.617 325 A CB -0.589 18.185 19.000 -0.375 0.000 0.827 325 A HN 0.173 nan 8.150 nan 0.000 0.443 326 Q N -0.699 118.973 119.800 -0.214 0.000 2.061 326 Q HA -0.135 4.203 4.340 -0.004 0.000 0.204 326 Q C 2.416 178.388 176.000 -0.046 0.000 0.984 326 Q CA 1.464 57.219 55.803 -0.079 0.000 0.846 326 Q CB -0.448 28.292 28.738 0.002 0.000 0.902 326 Q HN 0.686 nan 8.270 nan 0.000 0.421 327 A N 0.511 123.293 122.820 -0.064 0.000 1.986 327 A HA -0.197 4.120 4.320 -0.004 0.000 0.220 327 A C 2.166 179.768 177.584 0.030 0.000 1.171 327 A CA 1.788 53.828 52.037 0.004 0.000 0.640 327 A CB -0.460 18.565 19.000 0.042 0.000 0.811 327 A HN 0.256 nan 8.150 nan 0.000 0.451 328 S N -1.752 113.944 115.700 -0.007 0.000 2.561 328 S HA 0.309 4.777 4.470 -0.004 0.000 0.225 328 S C 1.379 176.007 174.600 0.046 0.000 0.977 328 S CA 0.947 59.183 58.200 0.060 0.000 0.926 328 S CB -0.121 63.133 63.200 0.089 0.000 0.769 328 S HN 1.709 nan 8.310 nan 0.000 0.533 329 G N 1.331 110.141 108.800 0.016 0.000 2.132 329 G HA2 -0.207 3.750 3.960 -0.004 0.000 0.228 329 G HA3 -0.207 3.750 3.960 -0.004 0.000 0.228 329 G C -0.018 174.892 174.900 0.017 0.000 1.000 329 G CA 0.116 45.228 45.100 0.020 0.000 0.693 329 G HN 0.446 nan 8.290 nan 0.000 0.515 330 T N 2.807 117.363 114.554 0.003 0.000 2.786 330 T HA 0.614 4.962 4.350 -0.004 0.000 0.283 330 T C -2.250 172.442 174.700 -0.013 0.000 0.992 330 T CA -1.039 61.068 62.100 0.012 0.000 0.954 330 T CB 2.953 71.849 68.868 0.047 0.000 0.934 330 T HN 0.159 nan 8.240 nan 0.000 0.440 331 P HA 0.329 nan 4.420 nan 0.000 0.272 331 P C -0.911 176.376 177.300 -0.022 0.000 1.230 331 P CA -0.397 62.686 63.100 -0.028 0.000 0.788 331 P CB 0.742 32.424 31.700 -0.030 0.000 0.949 332 V N 3.111 123.002 119.914 -0.039 0.000 2.540 332 V HA 0.369 4.487 4.120 -0.004 0.000 0.302 332 V C 0.357 176.433 176.094 -0.029 0.000 1.035 332 V CA -0.631 61.656 62.300 -0.023 0.000 0.873 332 V CB 1.683 33.481 31.823 -0.041 0.000 0.992 332 V HN 0.349 nan 8.190 nan 0.000 0.428 333 I N 4.283 124.863 120.570 0.017 0.000 2.328 333 I HA 0.698 4.866 4.170 -0.004 0.000 0.287 333 I C 0.336 176.516 176.117 0.105 0.000 1.012 333 I CA -0.222 61.062 61.300 -0.027 0.000 1.195 333 I CB 1.349 39.320 38.000 -0.049 0.000 1.350 333 I HN 0.688 nan 8.210 nan 0.000 0.464 334 A N 4.963 127.793 122.820 0.017 0.000 2.355 334 A HA 0.872 5.190 4.320 -0.004 0.000 0.324 334 A C 0.071 177.725 177.584 0.116 0.000 1.117 334 A CA -0.642 51.489 52.037 0.158 0.000 0.785 334 A CB 1.310 20.338 19.000 0.046 0.000 1.254 334 A HN 0.768 nan 8.150 nan 0.000 0.453 335 A N 1.091 124.118 122.820 0.344 0.000 2.531 335 A HA 0.341 4.659 4.320 -0.004 0.000 0.236 335 A C 0.758 178.351 177.584 0.015 0.000 1.062 335 A CA -0.047 52.087 52.037 0.162 0.000 0.760 335 A CB -0.124 18.952 19.000 0.127 0.000 0.995 335 A HN 0.836 nan 8.150 nan 0.000 0.501 336 R N 1.645 122.113 120.500 -0.053 0.000 4.164 336 R HA 0.319 4.657 4.340 -0.004 0.000 0.195 336 R C -0.467 175.836 176.300 0.005 0.000 1.712 336 R CA 0.200 56.275 56.100 -0.043 0.000 1.457 336 R CB -0.822 29.437 30.300 -0.069 0.000 1.387 336 R HN 0.727 nan 8.270 nan 0.000 0.785 337 V N -0.832 119.104 119.914 0.035 0.000 3.007 337 V HA 0.840 4.958 4.120 -0.004 0.000 0.311 337 V C 0.582 176.709 176.094 0.054 0.000 1.120 337 V CA -0.016 62.327 62.300 0.071 0.000 0.980 337 V CB 1.466 33.372 31.823 0.139 0.000 1.033 337 V HN 0.654 nan 8.190 nan 0.000 0.429 338 G N 2.893 111.727 108.800 0.057 0.000 2.634 338 G HA2 -0.148 3.810 3.960 -0.004 0.000 0.309 338 G HA3 -0.148 3.810 3.960 -0.004 0.000 0.309 338 G C 0.946 175.855 174.900 0.016 0.000 1.265 338 G CA 0.641 45.769 45.100 0.047 0.000 0.998 338 G HN 2.364 nan 8.290 nan 0.000 0.551 339 G N -0.346 108.456 108.800 0.004 0.000 2.985 339 G HA2 0.390 4.348 3.960 -0.004 0.000 0.209 339 G HA3 0.390 4.348 3.960 -0.004 0.000 0.209 339 G C 1.706 176.559 174.900 -0.079 0.000 1.165 339 G CA 0.894 45.966 45.100 -0.046 0.000 0.776 339 G HN 0.589 nan 8.290 nan 0.000 0.541 340 L N 0.399 121.594 121.223 -0.047 0.000 2.093 340 L HA -0.002 4.336 4.340 -0.004 0.000 0.208 340 L C -0.096 176.737 176.870 -0.061 0.000 1.085 340 L CA 0.862 55.670 54.840 -0.053 0.000 0.755 340 L CB -0.910 41.139 42.059 -0.016 0.000 0.904 340 L HN 0.085 nan 8.230 nan 0.000 0.435 341 P HA -0.163 nan 4.420 nan 0.000 0.221 341 P C 1.542 178.794 177.300 -0.080 0.000 1.145 341 P CA 1.152 64.211 63.100 -0.068 0.000 0.795 341 P CB 0.115 31.780 31.700 -0.058 0.000 0.775 342 I N -0.728 119.792 120.570 -0.084 0.000 2.400 342 I HA -0.013 4.154 4.170 -0.004 0.000 0.248 342 I C 2.169 178.245 176.117 -0.069 0.000 1.109 342 I CA 0.709 61.947 61.300 -0.104 0.000 1.425 342 I CB -1.870 36.058 38.000 -0.120 0.000 1.094 342 I HN -0.123 nan 8.210 nan 0.000 0.425 343 A N 0.274 123.048 122.820 -0.077 0.000 2.015 343 A HA 0.023 4.341 4.320 -0.004 0.000 0.219 343 A C 1.182 178.839 177.584 0.122 0.000 1.163 343 A CA 0.700 52.716 52.037 -0.034 0.000 0.646 343 A CB -0.323 18.587 19.000 -0.149 0.000 0.806 343 A HN 0.149 nan 8.150 nan 0.000 0.448 344 V N -0.019 119.894 119.914 -0.002 0.000 2.448 344 V HA 0.568 4.686 4.120 -0.004 0.000 0.295 344 V C 0.248 176.211 176.094 -0.218 0.000 1.025 344 V CA -0.589 61.641 62.300 -0.117 0.000 0.859 344 V CB 1.219 32.974 31.823 -0.112 0.000 0.988 344 V HN 0.393 nan 8.190 nan 0.000 0.431 345 A N 3.726 126.256 122.820 -0.483 0.000 2.539 345 A HA 0.314 4.631 4.320 -0.004 0.000 0.306 345 A C 0.426 177.874 177.584 -0.227 0.000 1.392 345 A CA -0.162 51.658 52.037 -0.360 0.000 1.060 345 A CB -0.371 18.346 19.000 -0.471 0.000 1.134 345 A HN 0.923 nan 8.150 nan 0.000 0.542 346 E N 2.075 122.177 120.200 -0.162 0.000 2.558 346 E HA 0.247 4.595 4.350 -0.004 0.000 0.255 346 E C 1.392 177.922 176.600 -0.118 0.000 0.968 346 E CA 1.148 57.468 56.400 -0.134 0.000 0.939 346 E CB 0.047 29.678 29.700 -0.115 0.000 0.921 346 E HN 1.266 nan 8.360 nan 0.000 0.477 347 G N 4.083 112.815 108.800 -0.113 0.000 2.205 347 G HA2 -0.336 3.622 3.960 -0.004 0.000 0.261 347 G HA3 -0.336 3.622 3.960 -0.004 0.000 0.261 347 G C 0.685 175.534 174.900 -0.085 0.000 0.980 347 G CA 0.630 45.675 45.100 -0.091 0.000 0.632 347 G HN 0.667 nan 8.290 nan 0.000 0.533 348 E N -1.336 118.801 120.200 -0.105 0.000 2.354 348 E HA 0.151 4.499 4.350 -0.004 0.000 0.203 348 E C 2.096 178.631 176.600 -0.108 0.000 0.841 348 E CA 1.007 57.350 56.400 -0.095 0.000 1.046 348 E CB 0.357 30.002 29.700 -0.092 0.000 1.040 348 E HN 0.613 nan 8.360 nan 0.000 0.504 349 T N -1.894 112.564 114.554 -0.160 0.000 3.111 349 T HA 0.515 4.863 4.350 -0.004 0.000 0.284 349 T C 0.465 175.088 174.700 -0.129 0.000 0.983 349 T CA 0.122 62.129 62.100 -0.155 0.000 0.900 349 T CB 1.208 69.923 68.868 -0.255 0.000 1.132 349 T HN 0.227 nan 8.240 nan 0.000 0.531 350 G N 0.754 109.479 108.800 -0.124 0.000 2.333 350 G HA2 0.455 4.413 3.960 -0.004 0.000 0.288 350 G HA3 0.455 4.413 3.960 -0.004 0.000 0.288 350 G C -2.359 172.467 174.900 -0.123 0.000 1.286 350 G CA -1.001 44.033 45.100 -0.109 0.000 0.865 350 G HN 0.365 nan 8.290 nan 0.000 0.506 351 L N -0.286 120.857 121.223 -0.134 0.000 2.333 351 L HA 0.714 5.052 4.340 -0.004 0.000 0.263 351 L C -0.491 176.263 176.870 -0.194 0.000 1.014 351 L CA -0.969 53.771 54.840 -0.166 0.000 0.820 351 L CB 2.230 44.173 42.059 -0.193 0.000 1.352 351 L HN 0.385 nan 8.230 nan 0.000 0.421 352 L N 2.204 123.304 121.223 -0.205 0.000 2.313 352 L HA 0.580 4.917 4.340 -0.004 0.000 0.283 352 L C -0.694 175.991 176.870 -0.310 0.000 1.013 352 L CA -0.850 53.859 54.840 -0.217 0.000 0.816 352 L CB 2.036 44.004 42.059 -0.151 0.000 1.236 352 L HN 0.242 nan 8.230 nan 0.000 0.419 353 V N 1.686 121.341 119.914 -0.431 0.000 2.427 353 V HA 0.233 4.351 4.120 -0.004 0.000 0.286 353 V C -0.237 175.651 176.094 -0.343 0.000 1.034 353 V CA -0.810 61.149 62.300 -0.568 0.000 0.893 353 V CB 1.857 32.907 31.823 -1.288 0.000 0.982 353 V HN 0.610 nan 8.190 nan 0.000 0.452 354 D N 4.327 124.565 120.400 -0.270 0.000 2.336 354 D HA 0.467 5.104 4.640 -0.004 0.000 0.249 354 D C 0.756 176.965 176.300 -0.151 0.000 1.213 354 D CA 1.233 55.133 54.000 -0.165 0.000 0.870 354 D CB 1.334 42.068 40.800 -0.109 0.000 1.076 354 D HN 0.937 nan 8.370 nan 0.000 0.483 355 G N 3.002 111.705 108.800 -0.162 0.000 2.645 355 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.239 355 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.239 355 G C -0.078 174.634 174.900 -0.312 0.000 1.331 355 G CA -0.290 44.727 45.100 -0.138 0.000 0.890 355 G HN 0.706 nan 8.290 nan 0.000 0.572 356 H N -0.103 119.053 119.070 0.143 0.000 2.885 356 H HA 0.486 5.040 4.556 -0.004 0.000 0.254 356 H C 1.165 176.573 175.328 0.133 0.000 1.185 356 H CA 0.415 56.517 56.048 0.091 0.000 1.029 356 H CB 0.271 29.887 29.762 -0.243 0.000 1.743 356 H HN 0.759 nan 8.280 nan 0.000 0.632 357 S N 0.669 116.504 115.700 0.226 0.000 2.562 357 S HA 0.050 4.518 4.470 -0.004 0.000 0.281 357 S C -1.555 173.151 174.600 0.178 0.000 1.333 357 S CA -0.988 57.312 58.200 0.167 0.000 1.052 357 S CB 1.659 64.931 63.200 0.120 0.000 0.884 357 S HN -0.021 nan 8.310 nan 0.000 0.506 358 P HA -0.178 nan 4.420 nan 0.000 0.217 358 P C 1.289 178.690 177.300 0.169 0.000 1.148 358 P CA 1.849 65.044 63.100 0.158 0.000 0.828 358 P CB -0.190 31.590 31.700 0.133 0.000 0.783 359 H N -0.549 118.596 119.070 0.126 0.000 2.357 359 H HA 0.063 4.617 4.556 -0.004 0.000 0.301 359 H C 1.752 177.120 175.328 0.068 0.000 1.082 359 H CA 1.767 57.865 56.048 0.084 0.000 1.342 359 H CB -1.077 28.719 29.762 0.057 0.000 1.389 359 H HN -0.001 nan 8.280 nan 0.000 0.511 360 A N 0.027 122.372 122.820 -0.791 0.000 1.969 360 A HA -0.051 4.266 4.320 -0.004 0.000 0.218 360 A C 2.002 179.397 177.584 -0.315 0.000 1.169 360 A CA 1.080 52.754 52.037 -0.605 0.000 0.635 360 A CB -1.139 17.521 19.000 -0.566 0.000 0.810 360 A HN 0.618 nan 8.150 nan 0.000 0.445 361 W N -0.311 120.878 121.300 -0.186 0.000 2.409 361 W HA 0.100 4.757 4.660 -0.004 0.000 0.299 361 W C 2.752 179.233 176.519 -0.064 0.000 1.203 361 W CA 1.226 58.508 57.345 -0.106 0.000 1.298 361 W CB -0.327 29.089 29.460 -0.073 0.000 1.127 361 W HN 0.344 nan 8.180 nan 0.000 0.528 362 A N 0.391 123.302 122.820 0.152 0.000 1.908 362 A HA -0.253 4.065 4.320 -0.004 0.000 0.218 362 A C 1.687 179.286 177.584 0.024 0.000 1.181 362 A CA 2.301 54.390 52.037 0.087 0.000 0.627 362 A CB -0.955 18.101 19.000 0.093 0.000 0.818 362 A HN 0.181 nan 8.150 nan 0.000 0.445 363 D N 0.042 120.443 120.400 0.002 0.000 2.092 363 D HA -0.104 4.534 4.640 -0.004 0.000 0.193 363 D C 2.254 178.506 176.300 -0.080 0.000 0.994 363 D CA 1.820 55.803 54.000 -0.028 0.000 0.828 363 D CB -0.514 40.271 40.800 -0.024 0.000 0.963 363 D HN 0.435 nan 8.370 nan 0.000 0.450 364 A N 0.336 123.066 122.820 -0.150 0.000 1.898 364 A HA -0.106 4.212 4.320 -0.004 0.000 0.216 364 A C 2.411 179.932 177.584 -0.106 0.000 1.181 364 A CA 0.911 52.837 52.037 -0.186 0.000 0.620 364 A CB -0.792 17.991 19.000 -0.361 0.000 0.819 364 A HN 0.202 nan 8.150 nan 0.000 0.442 365 L N -0.674 120.520 121.223 -0.048 0.000 1.989 365 L HA -0.238 4.100 4.340 -0.004 0.000 0.211 365 L C 3.148 180.003 176.870 -0.025 0.000 1.071 365 L CA 1.263 56.102 54.840 -0.002 0.000 0.749 365 L CB -0.602 41.489 42.059 0.052 0.000 0.890 365 L HN 0.438 nan 8.230 nan 0.000 0.431 366 A N 0.152 122.952 122.820 -0.033 0.000 1.883 366 A HA -0.274 4.043 4.320 -0.004 0.000 0.217 366 A C 2.453 180.012 177.584 -0.042 0.000 1.186 366 A CA 2.644 54.656 52.037 -0.043 0.000 0.624 366 A CB -1.184 17.792 19.000 -0.039 0.000 0.822 366 A HN 0.571 nan 8.150 nan 0.000 0.444 367 T N -1.577 112.949 114.554 -0.048 0.000 2.708 367 T HA -0.097 4.250 4.350 -0.004 0.000 0.266 367 T C 1.830 176.503 174.700 -0.045 0.000 1.037 367 T CA 1.547 63.617 62.100 -0.049 0.000 1.146 367 T CB -0.515 68.316 68.868 -0.062 0.000 0.865 367 T HN 0.288 nan 8.240 nan 0.000 0.435 368 L N 0.027 121.222 121.223 -0.046 0.000 2.179 368 L HA 0.180 4.517 4.340 -0.004 0.000 0.208 368 L C 2.798 179.654 176.870 -0.024 0.000 1.096 368 L CA 0.740 55.558 54.840 -0.036 0.000 0.779 368 L CB -0.468 41.568 42.059 -0.038 0.000 0.922 368 L HN 0.275 nan 8.230 nan 0.000 0.443 369 L N -0.341 120.868 121.223 -0.023 0.000 2.046 369 L HA -0.224 4.114 4.340 -0.004 0.000 0.208 369 L C 1.972 178.830 176.870 -0.019 0.000 1.077 369 L CA 1.174 56.004 54.840 -0.018 0.000 0.747 369 L CB -0.412 41.632 42.059 -0.026 0.000 0.896 369 L HN 0.266 nan 8.230 nan 0.000 0.432 370 D N -1.199 119.185 120.400 -0.025 0.000 2.289 370 D HA -0.074 4.564 4.640 -0.004 0.000 0.207 370 D C 0.585 176.874 176.300 -0.019 0.000 0.966 370 D CA 0.742 54.729 54.000 -0.023 0.000 0.868 370 D CB -0.030 40.754 40.800 -0.027 0.000 0.943 370 D HN 0.122 nan 8.370 nan 0.000 0.514 371 D N 1.071 121.458 120.400 -0.021 0.000 2.499 371 D HA 0.030 4.668 4.640 -0.004 0.000 0.225 371 D C 0.553 176.844 176.300 -0.015 0.000 1.124 371 D CA -0.251 53.738 54.000 -0.019 0.000 0.938 371 D CB 0.496 41.282 40.800 -0.025 0.000 1.014 371 D HN -0.159 nan 8.370 nan 0.000 0.517 372 D N 2.398 122.792 120.400 -0.009 0.000 2.097 372 D HA -0.172 4.466 4.640 -0.004 0.000 0.195 372 D C 1.363 177.660 176.300 -0.005 0.000 0.989 372 D CA 1.161 55.158 54.000 -0.004 0.000 0.827 372 D CB 0.425 41.226 40.800 0.001 0.000 0.966 372 D HN 0.473 nan 8.370 nan 0.000 0.456 373 E N 0.470 120.666 120.200 -0.007 0.000 2.049 373 E HA -0.147 4.201 4.350 -0.004 0.000 0.198 373 E C 2.216 178.810 176.600 -0.011 0.000 1.007 373 E CA 1.425 57.820 56.400 -0.008 0.000 0.809 373 E CB -0.781 28.914 29.700 -0.009 0.000 0.749 373 E HN 0.168 nan 8.360 nan 0.000 0.450 374 T N 0.480 115.025 114.554 -0.016 0.000 2.708 374 T HA -0.172 4.176 4.350 -0.004 0.000 0.266 374 T C 1.856 176.542 174.700 -0.023 0.000 1.037 374 T CA 1.509 63.596 62.100 -0.022 0.000 1.146 374 T CB -0.204 68.646 68.868 -0.029 0.000 0.865 374 T HN 0.128 nan 8.240 nan 0.000 0.435 375 R N 0.485 120.973 120.500 -0.020 0.000 2.081 375 R HA -0.031 4.307 4.340 -0.004 0.000 0.235 375 R C 2.411 178.704 176.300 -0.011 0.000 1.131 375 R CA 1.362 57.452 56.100 -0.018 0.000 0.960 375 R CB -0.434 29.859 30.300 -0.013 0.000 0.856 375 R HN 0.388 nan 8.270 nan 0.000 0.436 376 I N 0.257 120.823 120.570 -0.006 0.000 2.179 376 I HA -0.277 3.891 4.170 -0.004 0.000 0.242 376 I C 2.837 178.952 176.117 -0.003 0.000 1.088 376 I CA 1.268 62.568 61.300 -0.001 0.000 1.357 376 I CB -0.327 37.674 38.000 0.003 0.000 1.051 376 I HN 0.243 nan 8.210 nan 0.000 0.409 377 R N 0.945 121.441 120.500 -0.007 0.000 2.091 377 R HA -0.199 4.139 4.340 -0.004 0.000 0.238 377 R C 2.351 178.643 176.300 -0.013 0.000 1.136 377 R CA 1.651 57.746 56.100 -0.009 0.000 0.959 377 R CB -0.168 30.125 30.300 -0.011 0.000 0.856 377 R HN 0.276 nan 8.270 nan 0.000 0.437 378 M N -0.532 119.055 119.600 -0.021 0.000 2.108 378 M HA -0.108 4.370 4.480 -0.004 0.000 0.261 378 M C 2.336 178.621 176.300 -0.024 0.000 1.066 378 M CA 1.912 57.193 55.300 -0.032 0.000 1.107 378 M CB -0.493 32.081 32.600 -0.043 0.000 1.356 378 M HN 0.423 nan 8.290 nan 0.000 0.406 379 G N 0.119 108.911 108.800 -0.013 0.000 2.418 379 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.217 379 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.217 379 G C 1.300 176.202 174.900 0.005 0.000 1.158 379 G CA 0.829 45.927 45.100 -0.003 0.000 0.771 379 G HN 0.510 nan 8.290 nan 0.000 0.545 380 E N 0.574 120.777 120.200 0.005 0.000 2.077 380 E HA -0.105 4.243 4.350 -0.004 0.000 0.193 380 E C 2.029 178.637 176.600 0.014 0.000 0.989 380 E CA 1.133 57.539 56.400 0.010 0.000 0.800 380 E CB -0.060 29.644 29.700 0.007 0.000 0.746 380 E HN 0.253 nan 8.360 nan 0.000 0.452 381 D N 0.378 120.784 120.400 0.010 0.000 2.264 381 D HA -0.065 4.572 4.640 -0.004 0.000 0.208 381 D C 1.785 178.111 176.300 0.044 0.000 0.966 381 D CA 0.914 54.926 54.000 0.021 0.000 0.864 381 D CB -0.165 40.637 40.800 0.005 0.000 0.933 381 D HN 0.159 nan 8.370 nan 0.000 0.499 382 A N 0.569 123.405 122.820 0.027 0.000 1.972 382 A HA -0.142 4.176 4.320 -0.004 0.000 0.219 382 A C 2.454 180.091 177.584 0.087 0.000 1.169 382 A CA 1.048 53.115 52.037 0.051 0.000 0.635 382 A CB -0.616 18.389 19.000 0.007 0.000 0.810 382 A HN 0.145 nan 8.150 nan 0.000 0.446 383 V N 0.072 120.017 119.914 0.052 0.000 2.233 383 V HA -0.270 3.848 4.120 -0.004 0.000 0.247 383 V C 2.607 178.725 176.094 0.040 0.000 1.050 383 V CA 2.475 64.800 62.300 0.041 0.000 1.010 383 V CB -0.792 31.048 31.823 0.029 0.000 0.637 383 V HN 0.729 nan 8.190 nan 0.000 0.444 384 E N -0.406 119.818 120.200 0.040 0.000 2.150 384 E HA -0.237 4.111 4.350 -0.004 0.000 0.193 384 E C 2.207 178.818 176.600 0.019 0.000 0.985 384 E CA 1.414 57.822 56.400 0.012 0.000 0.814 384 E CB -0.480 29.227 29.700 0.012 0.000 0.752 384 E HN 0.728 nan 8.360 nan 0.000 0.466 385 H N -0.255 118.826 119.070 0.019 0.000 2.319 385 H HA -0.124 4.430 4.556 -0.004 0.000 0.299 385 H C 1.736 177.118 175.328 0.090 0.000 1.092 385 H CA 1.896 58.006 56.048 0.104 0.000 1.302 385 H CB -0.077 29.758 29.762 0.123 0.000 1.373 385 H HN 0.297 nan 8.280 nan 0.000 0.497 386 A N 1.531 124.368 122.820 0.029 0.000 1.902 386 A HA -0.163 4.154 4.320 -0.004 0.000 0.217 386 A C 2.610 180.158 177.584 -0.061 0.000 1.181 386 A CA 1.427 53.442 52.037 -0.036 0.000 0.623 386 A CB -0.524 18.483 19.000 0.012 0.000 0.818 386 A HN 0.450 nan 8.150 nan 0.000 0.443 387 R N -0.987 119.479 120.500 -0.055 0.000 2.120 387 R HA -0.085 4.253 4.340 -0.004 0.000 0.234 387 R C 1.970 178.177 176.300 -0.155 0.000 1.123 387 R CA 1.773 57.838 56.100 -0.058 0.000 0.975 387 R CB -0.534 29.735 30.300 -0.051 0.000 0.866 387 R HN 0.536 nan 8.270 nan 0.000 0.446 388 T N -0.368 113.979 114.554 -0.344 0.000 3.009 388 T HA 0.037 4.385 4.350 -0.004 0.000 0.258 388 T C 0.827 175.074 174.700 -0.754 0.000 1.063 388 T CA 0.884 62.575 62.100 -0.682 0.000 1.139 388 T CB 0.082 68.304 68.868 -1.076 0.000 0.890 388 T HN 0.092 nan 8.240 nan 0.000 0.471 389 F N -0.082 119.757 119.950 -0.185 0.000 2.746 389 F HA 0.449 4.973 4.527 -0.005 0.000 0.313 389 F C 2.285 177.981 175.800 -0.174 0.000 1.095 389 F CA -0.623 57.244 58.000 -0.222 0.000 1.224 389 F CB -0.313 38.435 39.000 -0.420 0.000 1.060 389 F HN 0.006 nan 8.300 nan 0.000 0.584 390 S N -0.536 115.164 115.700 -0.000 0.000 2.355 390 S HA -0.181 4.287 4.470 -0.004 0.000 0.222 390 S C 1.687 176.234 174.600 -0.088 0.000 1.031 390 S CA 1.559 59.706 58.200 -0.089 0.000 0.993 390 S CB -0.301 62.827 63.200 -0.121 0.000 0.859 390 S HN 0.471 nan 8.310 nan 0.000 0.453 391 W N 1.718 123.022 121.300 0.006 0.000 2.595 391 W HA 0.292 4.950 4.660 -0.005 0.000 0.257 391 W C 2.465 178.998 176.519 0.024 0.000 1.267 391 W CA 0.347 57.702 57.345 0.017 0.000 1.300 391 W CB -0.457 28.981 29.460 -0.035 0.000 1.120 391 W HN 0.364 nan 8.180 nan 0.000 0.618 392 A N 0.474 123.422 122.820 0.212 0.000 1.972 392 A HA -0.076 4.242 4.320 -0.004 0.000 0.219 392 A C 2.128 179.786 177.584 0.123 0.000 1.169 392 A CA 2.141 54.279 52.037 0.169 0.000 0.635 392 A CB -0.985 18.151 19.000 0.227 0.000 0.810 392 A HN 0.177 nan 8.150 nan 0.000 0.446 393 A N -1.204 121.667 122.820 0.084 0.000 1.968 393 A HA 0.014 4.332 4.320 -0.004 0.000 0.217 393 A C 2.254 179.967 177.584 0.216 0.000 1.169 393 A CA 1.985 54.077 52.037 0.091 0.000 0.638 393 A CB -1.050 17.911 19.000 -0.065 0.000 0.812 393 A HN 0.412 nan 8.150 nan 0.000 0.446 394 T N 0.589 115.285 114.554 0.237 0.000 2.684 394 T HA -0.094 4.253 4.350 -0.004 0.000 0.267 394 T C 2.232 176.986 174.700 0.090 0.000 1.036 394 T CA 1.752 63.934 62.100 0.136 0.000 1.148 394 T CB -0.477 68.423 68.868 0.053 0.000 0.863 394 T HN 0.583 nan 8.240 nan 0.000 0.436 395 A N 1.359 124.245 122.820 0.111 0.000 1.933 395 A HA 0.162 4.479 4.320 -0.004 0.000 0.218 395 A C 2.635 180.227 177.584 0.013 0.000 1.175 395 A CA 1.817 53.891 52.037 0.061 0.000 0.628 395 A CB -1.062 17.994 19.000 0.093 0.000 0.814 395 A HN 0.514 nan 8.150 nan 0.000 0.444 396 A N -0.551 122.294 122.820 0.040 0.000 1.877 396 A HA -0.238 4.080 4.320 -0.004 0.000 0.216 396 A C 2.124 179.704 177.584 -0.006 0.000 1.186 396 A CA 1.695 53.745 52.037 0.022 0.000 0.620 396 A CB -0.647 18.376 19.000 0.038 0.000 0.822 396 A HN 0.649 nan 8.150 nan 0.000 0.443 397 Q N -0.464 119.342 119.800 0.011 0.000 2.077 397 Q HA -0.181 4.157 4.340 -0.004 0.000 0.206 397 Q C 2.168 178.108 176.000 -0.100 0.000 0.989 397 Q CA 1.672 57.465 55.803 -0.017 0.000 0.853 397 Q CB -0.413 28.326 28.738 0.002 0.000 0.907 397 Q HN 0.687 nan 8.270 nan 0.000 0.418 398 L N 0.181 121.306 121.223 -0.163 0.000 2.012 398 L HA -0.235 4.102 4.340 -0.004 0.000 0.210 398 L C 2.754 179.178 176.870 -0.743 0.000 1.073 398 L CA 1.356 55.922 54.840 -0.457 0.000 0.748 398 L CB -0.632 41.172 42.059 -0.425 0.000 0.891 398 L HN 0.254 nan 8.230 nan 0.000 0.431 399 S N -0.983 114.471 115.700 -0.410 0.000 2.359 399 S HA -0.263 4.204 4.470 -0.004 0.000 0.224 399 S C 2.306 176.868 174.600 -0.063 0.000 1.035 399 S CA 1.939 60.028 58.200 -0.184 0.000 1.018 399 S CB -0.310 62.870 63.200 -0.032 0.000 0.876 399 S HN 0.426 nan 8.310 nan 0.000 0.448 400 S N 0.534 116.201 115.700 -0.055 0.000 2.359 400 S HA -0.120 4.348 4.470 -0.004 0.000 0.224 400 S C 1.864 176.469 174.600 0.008 0.000 1.035 400 S CA 1.544 59.739 58.200 -0.008 0.000 1.018 400 S CB -0.791 62.406 63.200 -0.005 0.000 0.876 400 S HN 0.534 nan 8.310 nan 0.000 0.448 401 L N 0.822 122.026 121.223 -0.032 0.000 2.046 401 L HA -0.048 4.290 4.340 -0.004 0.000 0.208 401 L C 2.075 179.035 176.870 0.151 0.000 1.077 401 L CA 1.908 56.761 54.840 0.023 0.000 0.747 401 L CB -1.010 41.041 42.059 -0.013 0.000 0.896 401 L HN 0.368 nan 8.230 nan 0.000 0.432 402 Y N 0.261 120.587 120.300 0.042 0.000 2.128 402 Y HA -0.239 4.308 4.550 -0.005 0.000 0.284 402 Y C 2.537 178.465 175.900 0.048 0.000 1.154 402 Y CA 1.423 59.552 58.100 0.049 0.000 1.149 402 Y CB -1.538 36.969 38.460 0.078 0.000 0.976 402 Y HN 0.414 nan 8.280 nan 0.000 0.505 403 N N -0.079 118.749 118.700 0.212 0.000 2.104 403 N HA -0.192 4.546 4.740 -0.004 0.000 0.190 403 N C 1.260 176.828 175.510 0.097 0.000 1.024 403 N CA 1.305 54.433 53.050 0.131 0.000 0.853 403 N CB -0.152 38.392 38.487 0.095 0.000 1.008 403 N HN 0.268 nan 8.380 nan 0.000 0.424 404 D N 0.632 121.084 120.400 0.087 0.000 2.117 404 D HA -0.090 4.547 4.640 -0.004 0.000 0.197 404 D C 1.932 178.272 176.300 0.067 0.000 0.987 404 D CA 0.968 55.007 54.000 0.065 0.000 0.829 404 D CB -0.446 40.384 40.800 0.050 0.000 0.961 404 D HN 0.277 nan 8.370 nan 0.000 0.460 405 A N 0.579 123.451 122.820 0.086 0.000 1.902 405 A HA -0.144 4.173 4.320 -0.004 0.000 0.217 405 A C 2.366 179.990 177.584 0.066 0.000 1.181 405 A CA 1.000 53.081 52.037 0.073 0.000 0.623 405 A CB -0.744 18.307 19.000 0.085 0.000 0.818 405 A HN 0.199 nan 8.150 nan 0.000 0.443 406 I N -0.316 120.300 120.570 0.077 0.000 2.252 406 I HA -0.254 3.913 4.170 -0.004 0.000 0.245 406 I C 2.959 179.110 176.117 0.056 0.000 1.102 406 I CA 0.987 62.327 61.300 0.066 0.000 1.385 406 I CB -0.306 37.739 38.000 0.074 0.000 1.064 406 I HN 0.350 nan 8.210 nan 0.000 0.414 407 A N 0.777 123.630 122.820 0.056 0.000 1.940 407 A HA -0.180 4.138 4.320 -0.004 0.000 0.219 407 A C 1.767 179.374 177.584 0.040 0.000 1.176 407 A CA 1.824 53.888 52.037 0.045 0.000 0.631 407 A CB -0.470 18.556 19.000 0.043 0.000 0.814 407 A HN 0.452 nan 8.150 nan 0.000 0.446 408 N N 0.520 119.245 118.700 0.041 0.000 2.235 408 N HA 0.058 4.796 4.740 -0.004 0.000 0.209 408 N C -0.336 175.196 175.510 0.037 0.000 1.122 408 N CA 0.240 53.312 53.050 0.036 0.000 0.845 408 N CB 0.138 38.645 38.487 0.033 0.000 1.004 408 N HN 0.828 nan 8.380 nan 0.000 0.499 409 E N 2.022 122.248 120.200 0.042 0.000 2.383 409 E HA -0.009 4.338 4.350 -0.004 0.000 0.257 409 E C -0.415 176.210 176.600 0.042 0.000 1.079 409 E CA -0.217 56.210 56.400 0.045 0.000 0.934 409 E CB -0.235 29.496 29.700 0.052 0.000 0.978 409 E HN 0.077 nan 8.360 nan 0.000 0.462 410 N N 3.100 121.825 118.700 0.042 0.000 2.540 410 N HA 0.228 4.966 4.740 -0.004 0.000 0.275 410 N C -1.627 173.910 175.510 0.045 0.000 1.053 410 N CA -0.866 52.209 53.050 0.041 0.000 0.876 410 N CB 1.756 40.264 38.487 0.035 0.000 1.284 410 N HN 0.241 nan 8.380 nan 0.000 0.518 411 V N 2.270 122.214 119.914 0.051 0.000 2.409 411 V HA 0.231 4.348 4.120 -0.004 0.000 0.290 411 V C 0.005 176.131 176.094 0.053 0.000 1.017 411 V CA -0.678 61.657 62.300 0.059 0.000 0.841 411 V CB 1.482 33.351 31.823 0.076 0.000 1.003 411 V HN 0.764 nan 8.190 nan 0.000 0.426 412 D N 2.550 122.977 120.400 0.045 0.000 2.369 412 D HA 0.178 4.816 4.640 -0.004 0.000 0.211 412 D C 1.476 177.797 176.300 0.035 0.000 1.077 412 D CA 0.679 54.702 54.000 0.038 0.000 0.842 412 D CB 0.685 41.502 40.800 0.029 0.000 0.947 412 D HN 0.894 nan 8.370 nan 0.000 0.509 413 G N 0.577 109.403 108.800 0.043 0.000 2.162 413 G HA2 -0.356 3.602 3.960 -0.004 0.000 0.260 413 G HA3 -0.356 3.602 3.960 -0.004 0.000 0.260 413 G C 0.804 175.718 174.900 0.023 0.000 0.976 413 G CA 0.533 45.654 45.100 0.036 0.000 0.655 413 G HN 0.461 nan 8.290 nan 0.000 0.533 414 E N -0.689 119.526 120.200 0.024 0.000 2.340 414 E HA 0.091 4.439 4.350 -0.004 0.000 0.198 414 E C 0.468 177.078 176.600 0.017 0.000 0.961 414 E CA 0.607 57.014 56.400 0.012 0.000 0.905 414 E CB 0.411 30.117 29.700 0.010 0.000 0.884 414 E HN 0.389 nan 8.360 nan 0.000 0.491 415 T N 1.139 115.698 114.554 0.008 0.000 2.728 415 T HA 0.174 4.522 4.350 -0.004 0.000 0.296 415 T C -0.639 174.030 174.700 -0.051 0.000 0.940 415 T CA -0.165 61.893 62.100 -0.070 0.000 1.013 415 T CB 0.716 69.523 68.868 -0.102 0.000 0.912 415 T HN 0.088 nan 8.240 nan 0.000 0.484 416 H N 3.329 122.283 119.070 -0.192 0.000 3.177 416 H HA 0.153 4.707 4.556 -0.004 0.000 0.314 416 H C -0.970 174.383 175.328 0.041 0.000 1.059 416 H CA -0.547 55.507 56.048 0.009 0.000 1.515 416 H CB 0.537 30.305 29.762 0.010 0.000 1.672 416 H HN 0.598 nan 8.280 nan 0.000 0.514 417 H N 3.828 122.979 119.070 0.135 0.000 2.788 417 H HA 0.204 4.758 4.556 -0.004 0.000 0.254 417 H C 0.971 176.386 175.328 0.144 0.000 1.541 417 H CA 0.001 56.109 56.048 0.100 0.000 1.295 417 H CB 0.251 30.014 29.762 0.002 0.000 1.592 417 H HN 0.703 nan 8.280 nan 0.000 0.545 418 G N 0.000 109.011 108.800 0.352 0.000 5.446 418 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 418 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 418 G CA 0.000 45.329 45.100 0.381 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925