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 1z01_1_B DATA FIRST_RESID 16 DATA SEQUENCE ISDARANNAK TQSQYQPYKD AAWGFINHWY PALFTHELEE DQVQGIQICG DATA SEQUENCE VPIVLRRVNG KVFALKDQCL HRGVRLSEKP TCFTKSTISC WYHGFTFDLE DATA SEQUENCE TGKLVTIVAN PEDKLIGTTG VTTYPVHEVN GMIFVFVRED DFPDEDVPPL DATA SEQUENCE AHDLPFRFPE RSEQFPHPLW PSSPSVLDDN AVVHGMHRTG FGNWRIACEN DATA SEQUENCE GFDNAHILVH KDNTIVHAMD WVLPLGLLPT SDDCIAVVED DDGPKGMMQW DATA SEQUENCE LFTDKWAPVL ENQELGLKVE GLKGRHYRTS VVLPGVLMVE NWPEEHVVQY DATA SEQUENCE EWYVPITDDT HEYWEILVRV CPTDEDRKKF QYRYDHMYKP LCLHGFNDSD DATA SEQUENCE LYAREAMQNF YYDGTGWDDE QLVATDISPI TWRKLASRWN RGIAKPGRGV DATA SEQUENCE AGAVKDTSLI FKQTADGKRP GYKVEQI 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 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.134 176.117 0.028 0.000 1.063 16 I CA 0.000 61.320 61.300 0.033 0.000 1.566 16 I CB 0.000 38.022 38.000 0.036 0.000 1.214 17 S N 2.775 118.493 115.700 0.029 0.000 2.580 17 S HA 0.215 4.686 4.470 0.001 0.000 0.274 17 S C 0.687 175.304 174.600 0.029 0.000 1.329 17 S CA -0.166 58.049 58.200 0.026 0.000 1.036 17 S CB 0.898 64.113 63.200 0.024 0.000 0.919 17 S HN 0.553 nan 8.310 nan 0.000 0.515 18 D N 3.088 123.503 120.400 0.025 0.000 2.363 18 D HA 0.139 4.780 4.640 0.001 0.000 0.220 18 D C 1.469 177.786 176.300 0.028 0.000 0.994 18 D CA 0.705 54.720 54.000 0.025 0.000 0.890 18 D CB -0.124 40.688 40.800 0.020 0.000 0.906 18 D HN 0.551 nan 8.370 nan 0.000 0.530 19 A N 0.832 123.669 122.820 0.028 0.000 2.251 19 A HA 0.005 4.326 4.320 0.001 0.000 0.209 19 A C 1.070 178.676 177.584 0.037 0.000 1.187 19 A CA -0.252 51.802 52.037 0.029 0.000 0.823 19 A CB -0.351 18.664 19.000 0.024 0.000 0.846 19 A HN 0.204 nan 8.150 nan 0.000 0.486 20 R N -1.133 119.393 120.500 0.044 0.000 2.594 20 R HA 0.566 4.906 4.340 0.001 0.000 0.272 20 R C 0.872 177.211 176.300 0.065 0.000 1.074 20 R CA 0.301 56.435 56.100 0.057 0.000 1.105 20 R CB 0.659 30.998 30.300 0.066 0.000 1.008 20 R HN -0.037 nan 8.270 nan 0.000 0.472 21 A N 3.081 125.947 122.820 0.078 0.000 1.969 21 A HA -0.201 4.120 4.320 0.001 0.000 0.218 21 A C 0.891 178.540 177.584 0.108 0.000 1.169 21 A CA 1.298 53.387 52.037 0.088 0.000 0.635 21 A CB -0.903 18.155 19.000 0.096 0.000 0.810 21 A HN 0.970 nan 8.150 nan 0.000 0.445 22 N N 1.368 120.148 118.700 0.132 0.000 3.050 22 N HA 0.077 4.817 4.740 0.001 0.000 0.289 22 N C -0.177 175.397 175.510 0.106 0.000 1.209 22 N CA -0.238 52.912 53.050 0.166 0.000 1.154 22 N CB -0.309 38.328 38.487 0.249 0.000 1.444 22 N HN 0.687 nan 8.380 nan 0.000 0.529 23 N N 0.219 118.960 118.700 0.069 0.000 2.347 23 N HA 0.124 4.865 4.740 0.001 0.000 0.253 23 N C 1.052 176.567 175.510 0.008 0.000 1.274 23 N CA -0.518 52.556 53.050 0.039 0.000 0.941 23 N CB 0.708 39.213 38.487 0.031 0.000 1.200 23 N HN 0.235 nan 8.380 nan 0.000 0.514 24 A N 0.608 123.427 122.820 -0.001 0.000 1.884 24 A HA -0.277 4.043 4.320 0.001 0.000 0.219 24 A C 2.186 179.738 177.584 -0.052 0.000 1.197 24 A CA 1.874 53.897 52.037 -0.024 0.000 0.637 24 A CB -0.903 18.089 19.000 -0.013 0.000 0.827 24 A HN 0.857 nan 8.150 nan 0.000 0.450 25 K N -1.311 119.068 120.400 -0.035 0.000 2.057 25 K HA -0.140 4.181 4.320 0.001 0.000 0.207 25 K C 2.093 178.650 176.600 -0.073 0.000 1.049 25 K CA 1.844 58.105 56.287 -0.043 0.000 0.931 25 K CB -0.372 32.118 32.500 -0.018 0.000 0.714 25 K HN 0.510 nan 8.250 nan 0.000 0.440 26 T N 1.523 116.045 114.554 -0.055 0.000 2.746 26 T HA -0.145 4.206 4.350 0.001 0.000 0.267 26 T C 1.807 176.321 174.700 -0.310 0.000 1.039 26 T CA 1.344 63.409 62.100 -0.058 0.000 1.142 26 T CB -0.103 68.798 68.868 0.054 0.000 0.866 26 T HN 0.390 nan 8.240 nan 0.000 0.444 27 Q N 1.025 120.595 119.800 -0.383 0.000 2.167 27 Q HA -0.071 4.270 4.340 0.001 0.000 0.202 27 Q C 2.672 178.277 176.000 -0.658 0.000 0.970 27 Q CA 1.533 56.863 55.803 -0.788 0.000 0.855 27 Q CB -0.278 28.286 28.738 -0.290 0.000 0.911 27 Q HN 0.652 nan 8.270 nan 0.000 0.438 28 S N 0.346 115.853 115.700 -0.321 0.000 2.474 28 S HA -0.140 4.331 4.470 0.001 0.000 0.235 28 S C 1.644 176.137 174.600 -0.178 0.000 0.997 28 S CA 0.715 58.799 58.200 -0.194 0.000 0.949 28 S CB -0.065 63.070 63.200 -0.108 0.000 0.766 28 S HN 0.342 nan 8.310 nan 0.000 0.517 29 Q N 0.176 119.839 119.800 -0.229 0.000 2.432 29 Q HA 0.058 4.399 4.340 0.001 0.000 0.205 29 Q C -0.070 175.929 176.000 -0.002 0.000 0.945 29 Q CA 0.591 56.338 55.803 -0.095 0.000 0.924 29 Q CB -0.015 28.705 28.738 -0.030 0.000 1.016 29 Q HN 1.054 nan 8.270 nan 0.000 0.503 30 Y N -2.749 117.554 120.300 0.005 0.000 2.629 30 Y HA 0.423 4.973 4.550 0.001 0.000 0.282 30 Y C 1.098 177.021 175.900 0.039 0.000 0.994 30 Y CA -0.775 57.327 58.100 0.004 0.000 1.126 30 Y CB -0.370 38.061 38.460 -0.049 0.000 1.187 30 Y HN -0.180 nan 8.280 nan 0.000 0.600 31 Q N 2.352 122.207 119.800 0.091 0.000 2.079 31 Q HA 0.049 4.390 4.340 0.001 0.000 0.200 31 Q C -0.969 175.084 176.000 0.089 0.000 0.974 31 Q CA 1.779 57.619 55.803 0.062 0.000 0.840 31 Q CB -0.981 27.760 28.738 0.005 0.000 0.898 31 Q HN 0.365 nan 8.270 nan 0.000 0.430 32 P HA -0.168 nan 4.420 nan 0.000 0.216 32 P C 0.615 178.044 177.300 0.215 0.000 1.150 32 P CA 1.179 64.368 63.100 0.149 0.000 0.843 32 P CB -0.261 31.528 31.700 0.148 0.000 0.787 33 Y N 1.108 121.469 120.300 0.101 0.000 2.181 33 Y HA -0.194 4.357 4.550 0.001 0.000 0.288 33 Y C 1.975 177.716 175.900 -0.265 0.000 1.146 33 Y CA 1.723 59.840 58.100 0.028 0.000 1.164 33 Y CB -0.364 38.072 38.460 -0.039 0.000 0.982 33 Y HN -0.180 nan 8.280 nan 0.000 0.515 34 K N -0.299 120.022 120.400 -0.132 0.000 2.209 34 K HA -0.160 4.161 4.320 0.001 0.000 0.204 34 K C 1.007 177.358 176.600 -0.415 0.000 1.048 34 K CA 1.435 57.419 56.287 -0.505 0.000 0.940 34 K CB -0.097 32.258 32.500 -0.243 0.000 0.729 34 K HN 0.367 nan 8.250 nan 0.000 0.451 35 D N 0.103 120.388 120.400 -0.192 0.000 2.349 35 D HA 0.000 4.641 4.640 0.001 0.000 0.215 35 D C 0.456 176.700 176.300 -0.094 0.000 1.016 35 D CA 0.348 54.283 54.000 -0.108 0.000 0.870 35 D CB 0.364 41.154 40.800 -0.016 0.000 0.917 35 D HN 0.100 nan 8.370 nan 0.000 0.524 36 A N 0.394 123.092 122.820 -0.204 0.000 3.163 36 A HA 0.544 4.865 4.320 0.001 0.000 0.283 36 A C 1.784 179.297 177.584 -0.118 0.000 1.412 36 A CA 0.145 52.058 52.037 -0.206 0.000 1.053 36 A CB -0.258 18.410 19.000 -0.553 0.000 1.082 36 A HN 0.083 nan 8.150 nan 0.000 0.639 37 A N -0.398 122.379 122.820 -0.071 0.000 1.940 37 A HA -0.143 4.178 4.320 0.001 0.000 0.219 37 A C 1.500 179.142 177.584 0.097 0.000 1.176 37 A CA 1.238 53.249 52.037 -0.042 0.000 0.631 37 A CB -0.622 18.331 19.000 -0.078 0.000 0.814 37 A HN 0.800 nan 8.150 nan 0.000 0.446 38 W N -0.635 120.701 121.300 0.061 0.000 3.180 38 W HA 0.396 5.057 4.660 0.001 0.000 0.254 38 W C 1.272 177.733 176.519 -0.097 0.000 1.318 38 W CA 1.219 58.579 57.345 0.024 0.000 1.608 38 W CB -0.249 29.204 29.460 -0.010 0.000 1.124 38 W HN 0.693 nan 8.180 nan 0.000 0.694 39 G N -0.472 108.351 108.800 0.040 0.000 2.603 39 G HA2 -0.174 3.787 3.960 0.001 0.000 0.686 39 G HA3 -0.174 3.787 3.960 0.001 0.000 0.686 39 G C -1.058 173.663 174.900 -0.299 0.000 1.286 39 G CA -1.376 43.466 45.100 -0.429 0.000 0.871 39 G HN -0.056 nan 8.290 nan 0.000 0.568 40 F N 0.257 120.138 119.950 -0.115 0.000 2.391 40 F HA 0.600 5.128 4.527 0.001 0.000 0.359 40 F C 1.185 177.057 175.800 0.121 0.000 1.122 40 F CA -0.651 57.369 58.000 0.033 0.000 1.120 40 F CB 1.302 40.267 39.000 -0.059 0.000 1.142 40 F HN 0.560 nan 8.300 nan 0.000 0.483 41 I N 3.587 124.327 120.570 0.284 0.000 2.797 41 I HA 0.273 4.444 4.170 0.001 0.000 0.310 41 I C 0.049 176.156 176.117 -0.018 0.000 0.990 41 I CA -0.321 61.042 61.300 0.104 0.000 1.228 41 I CB 0.864 38.872 38.000 0.013 0.000 1.406 41 I HN 0.816 nan 8.210 nan 0.000 0.534 42 N N 2.018 120.467 118.700 -0.419 0.000 2.816 42 N HA -0.188 4.553 4.740 0.001 0.000 0.247 42 N C -1.313 173.563 175.510 -1.057 0.000 1.100 42 N CA 0.231 52.697 53.050 -0.974 0.000 0.687 42 N CB -1.319 36.736 38.487 -0.719 0.000 1.003 42 N HN 0.567 nan 8.380 nan 0.000 0.554 43 H N -1.809 116.729 119.070 -0.887 0.000 2.946 43 H HA 0.488 5.045 4.556 0.001 0.000 0.365 43 H C -0.938 174.036 175.328 -0.591 0.000 1.197 43 H CA -0.431 55.314 56.048 -0.506 0.000 1.131 43 H CB 0.755 30.300 29.762 -0.361 0.000 1.849 43 H HN 0.144 nan 8.280 nan 0.000 0.555 44 W N 1.631 122.888 121.300 -0.071 0.000 2.316 44 W HA 0.427 5.088 4.660 0.001 0.000 0.311 44 W C -0.898 175.454 176.519 -0.279 0.000 1.217 44 W CA 0.002 57.342 57.345 -0.008 0.000 1.199 44 W CB 0.514 29.999 29.460 0.041 0.000 1.202 44 W HN 0.377 nan 8.180 nan 0.000 0.528 45 Y N 3.156 123.593 120.300 0.228 0.000 2.524 45 Y HA 0.362 4.912 4.550 0.001 0.000 0.347 45 Y C -1.971 173.721 175.900 -0.347 0.000 1.005 45 Y CA -2.963 55.094 58.100 -0.071 0.000 1.025 45 Y CB 1.998 40.352 38.460 -0.178 0.000 1.275 45 Y HN 0.135 nan 8.280 nan 0.000 0.460 46 P HA 0.157 nan 4.420 nan 0.000 0.276 46 P C -0.482 176.150 177.300 -1.113 0.000 1.235 46 P CA 0.303 62.343 63.100 -1.767 0.000 0.772 46 P CB 1.890 31.714 31.700 -3.127 0.000 0.871 47 A N 4.828 127.242 122.820 -0.677 0.000 1.938 47 A HA 0.342 4.663 4.320 0.001 0.000 0.207 47 A C 0.760 178.364 177.584 0.034 0.000 1.292 47 A CA 0.885 52.812 52.037 -0.184 0.000 0.700 47 A CB -0.071 18.865 19.000 -0.107 0.000 0.947 47 A HN 0.527 nan 8.150 nan 0.000 0.476 48 L N -2.191 118.995 121.223 -0.061 0.000 2.568 48 L HA 0.472 4.812 4.340 0.001 0.000 0.257 48 L C -1.364 175.475 176.870 -0.052 0.000 1.024 48 L CA -0.866 54.001 54.840 0.045 0.000 0.854 48 L CB 2.009 44.090 42.059 0.037 0.000 1.460 48 L HN 0.298 nan 8.230 nan 0.000 0.409 49 F N -0.250 119.711 119.950 0.017 0.000 2.382 49 F HA 0.153 4.681 4.527 0.001 0.000 0.331 49 F C 1.688 177.346 175.800 -0.236 0.000 1.121 49 F CA -0.012 57.883 58.000 -0.175 0.000 1.183 49 F CB 1.547 40.226 39.000 -0.535 0.000 1.207 49 F HN 0.527 nan 8.300 nan 0.000 0.555 50 T N 0.102 114.705 114.554 0.082 0.000 2.737 50 T HA -0.293 4.058 4.350 0.001 0.000 0.269 50 T C 1.704 176.446 174.700 0.070 0.000 1.040 50 T CA 2.242 64.380 62.100 0.065 0.000 1.142 50 T CB -0.628 68.298 68.868 0.097 0.000 0.861 50 T HN 0.699 nan 8.240 nan 0.000 0.456 51 H N 0.856 120.011 119.070 0.143 0.000 2.545 51 H HA 0.155 4.712 4.556 0.001 0.000 0.282 51 H C 1.613 177.001 175.328 0.100 0.000 1.020 51 H CA 0.999 57.101 56.048 0.091 0.000 1.243 51 H CB -0.455 29.332 29.762 0.042 0.000 1.377 51 H HN 0.407 nan 8.280 nan 0.000 0.581 52 E N -0.161 120.038 120.200 -0.002 0.000 2.489 52 E HA 0.152 4.503 4.350 0.001 0.000 0.193 52 E C -0.484 176.163 176.600 0.078 0.000 1.057 52 E CA -0.030 56.425 56.400 0.091 0.000 0.866 52 E CB 0.451 30.191 29.700 0.066 0.000 0.916 52 E HN 0.310 nan 8.360 nan 0.000 0.500 53 L N 1.528 122.793 121.223 0.070 0.000 2.529 53 L HA 0.229 4.569 4.340 0.001 0.000 0.260 53 L C -0.735 176.177 176.870 0.070 0.000 0.997 53 L CA -0.205 54.673 54.840 0.063 0.000 0.885 53 L CB 1.174 43.264 42.059 0.053 0.000 1.185 53 L HN -0.174 nan 8.230 nan 0.000 0.442 54 E N 1.143 121.385 120.200 0.069 0.000 2.359 54 E HA 0.222 4.573 4.350 0.001 0.000 0.255 54 E C -0.563 176.074 176.600 0.061 0.000 1.191 54 E CA -0.846 55.593 56.400 0.066 0.000 0.952 54 E CB 0.768 30.504 29.700 0.061 0.000 1.152 54 E HN 0.426 nan 8.360 nan 0.000 0.496 55 E N 1.090 121.324 120.200 0.058 0.000 2.558 55 E HA -0.151 4.200 4.350 0.001 0.000 0.255 55 E C -0.656 175.976 176.600 0.053 0.000 0.968 55 E CA 0.593 57.028 56.400 0.058 0.000 0.939 55 E CB -0.055 29.676 29.700 0.052 0.000 0.921 55 E HN 0.443 nan 8.360 nan 0.000 0.477 56 D N 1.605 122.041 120.400 0.060 0.000 3.046 56 D HA -0.239 4.402 4.640 0.001 0.000 0.210 56 D C -0.519 175.805 176.300 0.041 0.000 1.124 56 D CA 1.310 55.339 54.000 0.049 0.000 0.986 56 D CB -0.949 39.872 40.800 0.034 0.000 1.118 56 D HN 0.700 nan 8.370 nan 0.000 0.416 57 Q N 0.187 120.015 119.800 0.048 0.000 2.259 57 Q HA 0.458 4.798 4.340 0.001 0.000 0.249 57 Q C -0.722 175.306 176.000 0.046 0.000 0.914 57 Q CA -0.377 55.450 55.803 0.040 0.000 0.904 57 Q CB 1.304 30.068 28.738 0.044 0.000 1.213 57 Q HN 0.021 nan 8.270 nan 0.000 0.428 58 V N 3.534 123.467 119.914 0.033 0.000 2.555 58 V HA 0.408 4.528 4.120 0.001 0.000 0.302 58 V C -0.828 175.278 176.094 0.021 0.000 1.038 58 V CA -0.651 61.671 62.300 0.037 0.000 0.887 58 V CB 1.702 33.547 31.823 0.036 0.000 0.991 58 V HN 0.808 nan 8.190 nan 0.000 0.434 59 Q N 2.347 122.158 119.800 0.017 0.000 2.315 59 Q HA 0.704 5.045 4.340 0.001 0.000 0.273 59 Q C -0.489 175.488 176.000 -0.037 0.000 1.053 59 Q CA -0.131 55.665 55.803 -0.012 0.000 0.817 59 Q CB 2.261 30.992 28.738 -0.011 0.000 1.326 59 Q HN 0.926 nan 8.270 nan 0.000 0.423 60 G N 3.404 112.164 108.800 -0.067 0.000 2.388 60 G HA2 0.741 4.701 3.960 0.001 0.000 0.330 60 G HA3 0.741 4.701 3.960 0.001 0.000 0.330 60 G C -0.618 174.155 174.900 -0.212 0.000 1.142 60 G CA -0.484 44.559 45.100 -0.095 0.000 0.908 60 G HN 0.783 nan 8.290 nan 0.000 0.473 61 I N -1.977 118.432 120.570 -0.269 0.000 3.467 61 I HA 0.788 4.959 4.170 0.001 0.000 0.314 61 I C -1.402 174.533 176.117 -0.304 0.000 1.177 61 I CA -1.345 59.646 61.300 -0.514 0.000 0.943 61 I CB 2.461 40.028 38.000 -0.723 0.000 1.338 61 I HN 0.479 nan 8.210 nan 0.000 0.482 62 Q N 1.491 121.140 119.800 -0.251 0.000 2.268 62 Q HA 0.686 5.027 4.340 0.001 0.000 0.266 62 Q C -2.160 173.862 176.000 0.038 0.000 1.006 62 Q CA -0.544 55.220 55.803 -0.065 0.000 0.824 62 Q CB 2.830 31.566 28.738 -0.004 0.000 1.306 62 Q HN 0.709 nan 8.270 nan 0.000 0.424 63 I N 2.293 122.816 120.570 -0.078 0.000 2.569 63 I HA 0.305 4.476 4.170 0.001 0.000 0.290 63 I C -0.131 175.861 176.117 -0.209 0.000 1.088 63 I CA -0.908 60.285 61.300 -0.178 0.000 1.047 63 I CB 2.133 39.952 38.000 -0.301 0.000 1.237 63 I HN 0.891 nan 8.210 nan 0.000 0.421 64 C N 4.949 124.120 119.300 -0.216 0.000 4.365 64 C HA -0.156 4.305 4.460 0.001 0.000 0.299 64 C C 1.622 176.669 174.990 0.096 0.000 1.409 64 C CA 0.766 59.726 59.018 -0.098 0.000 2.007 64 C CB -2.485 25.147 27.740 -0.181 0.000 1.264 64 C HN 1.368 nan 8.230 nan 0.000 0.777 65 G N -1.892 107.027 108.800 0.198 0.000 2.212 65 G HA2 -0.230 3.731 3.960 0.001 0.000 0.266 65 G HA3 -0.230 3.731 3.960 0.001 0.000 0.266 65 G C 0.009 174.943 174.900 0.056 0.000 0.978 65 G CA 0.342 45.611 45.100 0.281 0.000 0.632 65 G HN 1.372 nan 8.290 nan 0.000 0.537 66 V N 2.514 122.409 119.914 -0.031 0.000 2.406 66 V HA 0.446 4.567 4.120 0.001 0.000 0.272 66 V C -1.751 174.279 176.094 -0.106 0.000 1.043 66 V CA -1.512 60.736 62.300 -0.087 0.000 0.915 66 V CB 1.465 33.187 31.823 -0.168 0.000 0.988 66 V HN 0.128 nan 8.190 nan 0.000 0.466 67 P HA 0.451 nan 4.420 nan 0.000 0.282 67 P C -0.708 176.541 177.300 -0.085 0.000 1.262 67 P CA 0.036 63.099 63.100 -0.061 0.000 0.773 67 P CB 0.597 32.285 31.700 -0.019 0.000 0.879 68 I N 2.646 123.145 120.570 -0.119 0.000 2.582 68 I HA 0.459 4.629 4.170 0.001 0.000 0.292 68 I C -0.534 175.551 176.117 -0.053 0.000 1.066 68 I CA -1.178 60.058 61.300 -0.107 0.000 1.053 68 I CB 2.638 40.489 38.000 -0.249 0.000 1.241 68 I HN 0.057 nan 8.210 nan 0.000 0.421 69 V N 7.182 127.106 119.914 0.018 0.000 2.604 69 V HA 0.631 4.751 4.120 0.001 0.000 0.305 69 V C -1.209 174.926 176.094 0.069 0.000 1.043 69 V CA -0.371 61.947 62.300 0.030 0.000 0.888 69 V CB 1.924 33.777 31.823 0.050 0.000 0.995 69 V HN 0.514 nan 8.190 nan 0.000 0.429 70 L N 6.677 127.935 121.223 0.057 0.000 2.362 70 L HA 0.755 5.096 4.340 0.001 0.000 0.271 70 L C -0.155 176.776 176.870 0.102 0.000 1.002 70 L CA -0.349 54.547 54.840 0.093 0.000 0.818 70 L CB 1.823 43.920 42.059 0.063 0.000 1.298 70 L HN 0.697 nan 8.230 nan 0.000 0.420 71 R N 1.702 122.294 120.500 0.153 0.000 2.604 71 R HA 0.549 4.890 4.340 0.001 0.000 0.281 71 R C -1.278 175.144 176.300 0.204 0.000 1.020 71 R CA -0.810 55.380 56.100 0.149 0.000 0.899 71 R CB 1.892 32.274 30.300 0.136 0.000 1.205 71 R HN 0.704 nan 8.270 nan 0.000 0.450 72 R N 3.632 124.223 120.500 0.152 0.000 2.294 72 R HA 0.461 4.802 4.340 0.001 0.000 0.319 72 R C -1.500 174.900 176.300 0.166 0.000 0.984 72 R CA -0.444 55.750 56.100 0.157 0.000 0.861 72 R CB 1.458 31.817 30.300 0.099 0.000 1.104 72 R HN 0.320 nan 8.270 nan 0.000 0.451 73 V N 5.519 125.572 119.914 0.231 0.000 2.525 73 V HA 0.211 4.331 4.120 0.001 0.000 0.299 73 V C -0.426 175.775 176.094 0.178 0.000 1.034 73 V CA -1.018 61.395 62.300 0.189 0.000 0.863 73 V CB 1.698 33.632 31.823 0.185 0.000 0.999 73 V HN 0.993 nan 8.190 nan 0.000 0.423 74 N N 3.996 122.765 118.700 0.115 0.000 2.727 74 N HA -0.223 4.518 4.740 0.001 0.000 0.249 74 N C 1.229 176.789 175.510 0.084 0.000 1.048 74 N CA 1.582 54.688 53.050 0.093 0.000 0.714 74 N CB -1.051 37.494 38.487 0.097 0.000 0.959 74 N HN 1.576 nan 8.380 nan 0.000 0.544 75 G N -1.038 107.808 108.800 0.077 0.000 2.267 75 G HA2 -0.392 3.569 3.960 0.001 0.000 0.257 75 G HA3 -0.392 3.569 3.960 0.001 0.000 0.257 75 G C 0.086 175.010 174.900 0.039 0.000 0.998 75 G CA 0.996 46.130 45.100 0.055 0.000 0.620 75 G HN 0.674 nan 8.290 nan 0.000 0.529 76 K N 0.646 121.076 120.400 0.049 0.000 2.156 76 K HA 0.608 4.929 4.320 0.001 0.000 0.271 76 K C 0.008 176.565 176.600 -0.072 0.000 0.995 76 K CA -0.637 55.616 56.287 -0.056 0.000 0.890 76 K CB 1.406 33.834 32.500 -0.121 0.000 1.073 76 K HN 0.024 nan 8.250 nan 0.000 0.454 77 V N 5.311 125.122 119.914 -0.172 0.000 2.439 77 V HA 0.397 4.518 4.120 0.001 0.000 0.282 77 V C -0.630 175.299 176.094 -0.275 0.000 1.039 77 V CA -0.476 61.774 62.300 -0.082 0.000 0.913 77 V CB 0.601 32.418 31.823 -0.011 0.000 0.983 77 V HN 0.592 nan 8.190 nan 0.000 0.460 78 F N 2.184 122.180 119.950 0.076 0.000 2.546 78 F HA 0.827 5.354 4.527 0.001 0.000 0.320 78 F C 0.296 176.154 175.800 0.096 0.000 1.076 78 F CA -0.649 57.401 58.000 0.085 0.000 0.928 78 F CB 2.088 41.133 39.000 0.075 0.000 1.189 78 F HN 0.537 nan 8.300 nan 0.000 0.465 79 A N 3.121 126.121 122.820 0.301 0.000 2.381 79 A HA 0.881 5.202 4.320 0.001 0.000 0.299 79 A C -1.724 176.042 177.584 0.303 0.000 1.049 79 A CA -0.452 51.743 52.037 0.263 0.000 0.715 79 A CB 0.966 20.112 19.000 0.243 0.000 1.222 79 A HN 0.605 nan 8.150 nan 0.000 0.428 80 L N 0.552 121.935 121.223 0.267 0.000 2.303 80 L HA 0.568 4.908 4.340 0.001 0.000 0.256 80 L C 0.266 177.308 176.870 0.287 0.000 1.034 80 L CA -0.637 54.322 54.840 0.198 0.000 0.832 80 L CB 1.502 43.594 42.059 0.055 0.000 1.403 80 L HN 0.744 nan 8.230 nan 0.000 0.419 81 K N 0.652 121.193 120.400 0.236 0.000 2.368 81 K HA 0.034 4.355 4.320 0.001 0.000 0.282 81 K C -0.468 176.154 176.600 0.036 0.000 1.035 81 K CA -0.164 56.255 56.287 0.221 0.000 0.973 81 K CB 0.422 33.005 32.500 0.138 0.000 0.957 81 K HN 0.516 nan 8.250 nan 0.000 0.474 82 D N 4.411 124.828 120.400 0.028 0.000 2.801 82 D HA -0.001 4.640 4.640 0.001 0.000 0.232 82 D C -1.023 175.278 176.300 0.002 0.000 1.128 82 D CA 0.450 54.456 54.000 0.010 0.000 1.003 82 D CB -0.111 40.694 40.800 0.009 0.000 1.110 82 D HN 0.459 nan 8.370 nan 0.000 0.477 83 Q N 1.814 121.589 119.800 -0.040 0.000 2.406 83 Q HA 0.170 4.511 4.340 0.001 0.000 0.244 83 Q C -1.350 174.592 176.000 -0.096 0.000 0.884 83 Q CA -0.689 55.089 55.803 -0.041 0.000 0.813 83 Q CB 0.964 29.685 28.738 -0.028 0.000 1.368 83 Q HN 0.294 nan 8.270 nan 0.000 0.439 84 C N 4.995 124.262 119.300 -0.055 0.000 2.634 84 C HA 0.130 4.591 4.460 0.001 0.000 0.418 84 C C 1.777 176.766 174.990 -0.003 0.000 1.373 84 C CA -0.331 58.683 59.018 -0.006 0.000 1.756 84 C CB -0.727 27.032 27.740 0.032 0.000 2.589 84 C HN 0.878 nan 8.230 nan 0.000 0.602 85 L N 4.641 125.928 121.223 0.106 0.000 2.551 85 L HA 0.099 4.440 4.340 0.001 0.000 0.228 85 L C 2.019 178.910 176.870 0.034 0.000 1.153 85 L CA 1.446 56.346 54.840 0.101 0.000 0.851 85 L CB -1.696 40.495 42.059 0.220 0.000 0.959 85 L HN 0.917 nan 8.230 nan 0.000 0.451 86 H N 1.494 120.363 119.070 -0.335 0.000 2.281 86 H HA 0.131 4.688 4.556 0.001 0.000 0.310 86 H C 0.790 175.914 175.328 -0.341 0.000 1.052 86 H CA 1.275 56.947 56.048 -0.627 0.000 1.331 86 H CB 0.393 29.257 29.762 -1.497 0.000 1.419 86 H HN 0.298 nan 8.280 nan 0.000 0.518 87 R N -0.406 119.786 120.500 -0.513 0.000 2.662 87 R HA 0.157 4.497 4.340 0.001 0.000 0.396 87 R C 0.464 176.656 176.300 -0.181 0.000 1.096 87 R CA 0.382 56.225 56.100 -0.427 0.000 1.081 87 R CB 1.319 31.265 30.300 -0.589 0.000 1.382 87 R HN 0.670 nan 8.270 nan 0.000 0.580 88 G N 1.602 110.329 108.800 -0.122 0.000 2.203 88 G HA2 -0.308 3.653 3.960 0.001 0.000 0.263 88 G HA3 -0.308 3.653 3.960 0.001 0.000 0.263 88 G C 0.440 175.338 174.900 -0.003 0.000 1.012 88 G CA 0.634 45.704 45.100 -0.051 0.000 0.749 88 G HN 0.303 nan 8.290 nan 0.000 0.512 89 V N -3.216 116.700 119.914 0.004 0.000 3.133 89 V HA 0.690 4.811 4.120 0.001 0.000 0.305 89 V C 0.909 177.062 176.094 0.099 0.000 1.084 89 V CA -1.148 61.198 62.300 0.077 0.000 1.089 89 V CB 0.917 32.758 31.823 0.030 0.000 1.073 89 V HN 0.340 nan 8.190 nan 0.000 0.477 90 R N 1.620 122.241 120.500 0.200 0.000 2.298 90 R HA 0.422 4.763 4.340 0.001 0.000 0.310 90 R C 0.977 177.475 176.300 0.330 0.000 1.068 90 R CA -0.370 55.843 56.100 0.188 0.000 0.957 90 R CB 0.996 31.385 30.300 0.149 0.000 1.003 90 R HN 0.760 nan 8.270 nan 0.000 0.454 91 L N 1.596 122.955 121.223 0.227 0.000 2.201 91 L HA -0.169 4.171 4.340 0.001 0.000 0.212 91 L C 2.221 179.284 176.870 0.321 0.000 1.105 91 L CA 1.289 56.305 54.840 0.293 0.000 0.775 91 L CB -0.308 41.853 42.059 0.171 0.000 0.913 91 L HN 0.690 nan 8.230 nan 0.000 0.440 92 S N -1.157 114.658 115.700 0.192 0.000 2.489 92 S HA -0.095 4.376 4.470 0.001 0.000 0.228 92 S C 1.583 176.207 174.600 0.040 0.000 0.995 92 S CA 0.368 58.627 58.200 0.098 0.000 0.934 92 S CB -0.182 63.042 63.200 0.040 0.000 0.771 92 S HN 0.457 nan 8.310 nan 0.000 0.522 93 E N 1.071 121.308 120.200 0.061 0.000 2.204 93 E HA 0.044 4.395 4.350 0.001 0.000 0.195 93 E C 0.631 177.015 176.600 -0.360 0.000 0.990 93 E CA 0.705 57.028 56.400 -0.129 0.000 0.821 93 E CB 0.077 29.711 29.700 -0.111 0.000 0.750 93 E HN 0.361 nan 8.360 nan 0.000 0.477 94 K N 0.761 120.883 120.400 -0.464 0.000 3.050 94 K HA 0.213 4.534 4.320 0.001 0.000 0.185 94 K C -2.869 173.651 176.600 -0.133 0.000 1.147 94 K CA -1.882 54.108 56.287 -0.496 0.000 0.916 94 K CB 1.559 33.434 32.500 -1.042 0.000 1.119 94 K HN -0.155 nan 8.250 nan 0.000 0.605 95 P HA -0.091 nan 4.420 nan 0.000 0.257 95 P C -1.041 176.255 177.300 -0.008 0.000 1.162 95 P CA 0.837 63.946 63.100 0.014 0.000 0.762 95 P CB 0.413 32.105 31.700 -0.012 0.000 0.753 96 T N 3.912 118.474 114.554 0.013 0.000 3.066 96 T HA 0.360 4.711 4.350 0.001 0.000 0.318 96 T C -0.947 173.618 174.700 -0.224 0.000 0.979 96 T CA -0.198 61.824 62.100 -0.130 0.000 1.025 96 T CB 0.274 69.133 68.868 -0.014 0.000 1.002 96 T HN 0.271 nan 8.240 nan 0.000 0.453 97 C N 3.043 122.142 119.300 -0.336 0.000 2.397 97 C HA 0.478 4.939 4.460 0.001 0.000 0.325 97 C C 0.988 175.778 174.990 -0.333 0.000 1.201 97 C CA -0.849 58.026 59.018 -0.240 0.000 1.377 97 C CB -0.393 27.302 27.740 -0.075 0.000 2.038 97 C HN 0.991 nan 8.230 nan 0.000 0.457 98 F N 1.326 121.299 119.950 0.039 0.000 2.619 98 F HA 0.122 4.650 4.527 0.001 0.000 0.293 98 F C 1.739 177.547 175.800 0.014 0.000 1.119 98 F CA 0.455 58.471 58.000 0.026 0.000 1.445 98 F CB 0.164 39.176 39.000 0.019 0.000 1.119 98 F HN 0.655 nan 8.300 nan 0.000 0.573 99 T N -3.838 110.808 114.554 0.155 0.000 2.865 99 T HA 0.311 4.661 4.350 0.001 0.000 0.294 99 T C 0.645 175.367 174.700 0.037 0.000 1.119 99 T CA -0.919 61.232 62.100 0.086 0.000 1.007 99 T CB 2.110 71.021 68.868 0.071 0.000 1.225 99 T HN -0.294 nan 8.240 nan 0.000 0.515 100 K N 0.798 121.212 120.400 0.023 0.000 2.362 100 K HA 0.006 4.327 4.320 0.001 0.000 0.200 100 K C 1.901 178.475 176.600 -0.044 0.000 1.046 100 K CA 1.343 57.633 56.287 0.006 0.000 0.952 100 K CB -0.269 32.244 32.500 0.021 0.000 0.753 100 K HN 0.788 nan 8.250 nan 0.000 0.466 101 S N -0.660 115.008 115.700 -0.053 0.000 2.554 101 S HA 0.057 4.527 4.470 0.001 0.000 0.226 101 S C 0.622 175.152 174.600 -0.117 0.000 0.980 101 S CA -0.394 57.733 58.200 -0.121 0.000 0.939 101 S CB 0.022 63.176 63.200 -0.076 0.000 0.832 101 S HN 0.219 nan 8.310 nan 0.000 0.486 102 T N -0.954 113.570 114.554 -0.050 0.000 2.812 102 T HA 0.756 5.106 4.350 0.001 0.000 0.294 102 T C -1.055 173.672 174.700 0.046 0.000 1.159 102 T CA -0.893 61.211 62.100 0.007 0.000 1.008 102 T CB 1.625 70.524 68.868 0.052 0.000 1.289 102 T HN 0.342 nan 8.240 nan 0.000 0.514 103 I N 0.600 121.242 120.570 0.119 0.000 2.607 103 I HA 0.629 4.799 4.170 0.001 0.000 0.290 103 I C -1.187 175.080 176.117 0.249 0.000 1.129 103 I CA -0.399 60.989 61.300 0.148 0.000 1.042 103 I CB 2.079 40.166 38.000 0.146 0.000 1.242 103 I HN 0.846 nan 8.210 nan 0.000 0.421 104 S N 5.454 121.286 115.700 0.220 0.000 2.621 104 S HA 0.407 4.878 4.470 0.001 0.000 0.302 104 S C -0.942 173.831 174.600 0.288 0.000 1.093 104 S CA -0.544 57.823 58.200 0.279 0.000 1.017 104 S CB 1.755 65.170 63.200 0.358 0.000 1.077 104 S HN 0.744 nan 8.310 nan 0.000 0.517 105 C N 4.521 123.991 119.300 0.283 0.000 2.499 105 C HA 0.352 4.813 4.460 0.001 0.000 0.386 105 C C 1.776 176.808 174.990 0.069 0.000 1.293 105 C CA -0.802 58.286 59.018 0.118 0.000 1.884 105 C CB -1.044 26.746 27.740 0.084 0.000 2.509 105 C HN 1.038 nan 8.230 nan 0.000 0.566 106 W N 4.159 125.558 121.300 0.166 0.000 2.721 106 W HA -0.043 4.617 4.660 0.001 0.000 0.245 106 W C 1.265 177.862 176.519 0.131 0.000 1.276 106 W CA 0.165 57.580 57.345 0.117 0.000 1.342 106 W CB -1.219 28.261 29.460 0.033 0.000 1.135 106 W HN 0.918 nan 8.180 nan 0.000 0.654 107 Y N 1.257 121.232 120.300 -0.542 0.000 2.197 107 Y HA -0.118 4.433 4.550 0.001 0.000 0.281 107 Y C 1.694 177.309 175.900 -0.475 0.000 1.099 107 Y CA 1.706 59.448 58.100 -0.597 0.000 1.092 107 Y CB -0.303 37.582 38.460 -0.959 0.000 1.028 107 Y HN -0.106 nan 8.280 nan 0.000 0.489 108 H N -1.201 117.929 119.070 0.101 0.000 2.674 108 H HA 0.290 4.846 4.556 0.001 0.000 0.274 108 H C 0.960 176.369 175.328 0.135 0.000 1.121 108 H CA 0.445 56.536 56.048 0.071 0.000 1.132 108 H CB 0.943 30.676 29.762 -0.049 0.000 1.606 108 H HN 0.563 nan 8.280 nan 0.000 0.558 109 G N 0.478 109.417 108.800 0.232 0.000 2.143 109 G HA2 -0.311 3.650 3.960 0.001 0.000 0.249 109 G HA3 -0.311 3.650 3.960 0.001 0.000 0.249 109 G C -0.190 174.825 174.900 0.193 0.000 0.981 109 G CA -0.400 44.827 45.100 0.212 0.000 0.665 109 G HN 0.198 nan 8.290 nan 0.000 0.528 110 F N 1.905 121.807 119.950 -0.079 0.000 2.578 110 F HA 0.432 4.960 4.527 0.001 0.000 0.381 110 F C 1.229 176.780 175.800 -0.414 0.000 1.069 110 F CA 0.512 58.342 58.000 -0.283 0.000 1.231 110 F CB 0.896 39.768 39.000 -0.213 0.000 1.086 110 F HN -0.031 nan 8.300 nan 0.000 0.564 111 T N 5.644 119.914 114.554 -0.474 0.000 2.792 111 T HA 0.590 4.941 4.350 0.001 0.000 0.280 111 T C -0.794 173.558 174.700 -0.580 0.000 0.990 111 T CA -0.397 61.499 62.100 -0.341 0.000 0.960 111 T CB 0.464 69.269 68.868 -0.105 0.000 0.939 111 T HN 0.121 nan 8.240 nan 0.000 0.439 112 F N 1.106 121.099 119.950 0.072 0.000 2.522 112 F HA 0.453 4.981 4.527 0.001 0.000 0.324 112 F C 0.522 176.326 175.800 0.007 0.000 1.077 112 F CA -1.489 56.535 58.000 0.041 0.000 0.944 112 F CB 1.013 40.049 39.000 0.059 0.000 1.175 112 F HN 0.405 nan 8.300 nan 0.000 0.468 113 D N 1.791 122.286 120.400 0.159 0.000 2.348 113 D HA 0.198 4.839 4.640 0.001 0.000 0.253 113 D C 0.971 177.283 176.300 0.020 0.000 1.161 113 D CA 0.122 54.151 54.000 0.049 0.000 0.876 113 D CB 0.885 41.702 40.800 0.028 0.000 1.160 113 D HN 0.528 nan 8.370 nan 0.000 0.459 114 L N 2.845 124.004 121.223 -0.108 0.000 2.042 114 L HA -0.133 4.208 4.340 0.001 0.000 0.210 114 L C 2.106 178.902 176.870 -0.124 0.000 1.076 114 L CA 1.157 55.859 54.840 -0.229 0.000 0.749 114 L CB -0.352 41.287 42.059 -0.701 0.000 0.893 114 L HN 0.544 nan 8.230 nan 0.000 0.432 115 E N 0.036 120.168 120.200 -0.114 0.000 2.072 115 E HA -0.177 4.174 4.350 0.001 0.000 0.191 115 E C 1.974 178.636 176.600 0.103 0.000 0.985 115 E CA 1.958 58.422 56.400 0.107 0.000 0.801 115 E CB 0.078 29.831 29.700 0.089 0.000 0.750 115 E HN 0.488 nan 8.360 nan 0.000 0.452 116 T N -4.925 109.663 114.554 0.057 0.000 2.971 116 T HA 0.334 4.685 4.350 0.001 0.000 0.252 116 T C 1.553 176.281 174.700 0.047 0.000 1.022 116 T CA 0.449 62.578 62.100 0.049 0.000 0.980 116 T CB 0.519 69.411 68.868 0.040 0.000 1.044 116 T HN 0.327 nan 8.240 nan 0.000 0.501 117 G N 1.873 110.715 108.800 0.069 0.000 2.179 117 G HA2 -0.298 3.662 3.960 0.001 0.000 0.260 117 G HA3 -0.298 3.662 3.960 0.001 0.000 0.260 117 G C -0.008 175.004 174.900 0.188 0.000 0.977 117 G CA 0.413 45.570 45.100 0.095 0.000 0.641 117 G HN 0.870 nan 8.290 nan 0.000 0.533 118 K N 0.185 120.671 120.400 0.144 0.000 2.382 118 K HA 0.412 4.733 4.320 0.001 0.000 0.275 118 K C 0.514 177.211 176.600 0.161 0.000 1.009 118 K CA -0.802 55.567 56.287 0.136 0.000 0.970 118 K CB 0.297 32.832 32.500 0.058 0.000 0.934 118 K HN 0.261 nan 8.250 nan 0.000 0.479 119 L N 7.135 128.430 121.223 0.120 0.000 2.454 119 L HA 0.035 4.375 4.340 0.001 0.000 0.284 119 L C 0.684 177.462 176.870 -0.153 0.000 1.139 119 L CA 0.245 55.021 54.840 -0.106 0.000 0.911 119 L CB 0.618 42.614 42.059 -0.105 0.000 1.262 119 L HN 0.612 nan 8.230 nan 0.000 0.453 120 V N 1.650 121.465 119.914 -0.164 0.000 2.951 120 V HA 0.250 4.370 4.120 0.001 0.000 0.255 120 V C 0.906 176.895 176.094 -0.174 0.000 1.088 120 V CA 1.250 63.472 62.300 -0.129 0.000 1.109 120 V CB -0.557 31.217 31.823 -0.082 0.000 0.724 120 V HN 0.892 nan 8.190 nan 0.000 0.471 121 T N -1.116 113.283 114.554 -0.259 0.000 2.652 121 T HA 0.527 4.878 4.350 0.001 0.000 0.303 121 T C -2.120 172.356 174.700 -0.374 0.000 1.738 121 T CA -0.392 61.544 62.100 -0.273 0.000 0.969 121 T CB 1.262 70.016 68.868 -0.191 0.000 1.778 121 T HN 0.218 nan 8.240 nan 0.000 0.494 122 I N 2.753 123.117 120.570 -0.343 0.000 2.468 122 I HA 0.320 4.491 4.170 0.001 0.000 0.285 122 I C 1.597 177.593 176.117 -0.203 0.000 1.039 122 I CA -0.886 60.207 61.300 -0.345 0.000 1.074 122 I CB 2.043 39.755 38.000 -0.480 0.000 1.228 122 I HN 0.527 nan 8.210 nan 0.000 0.436 123 V N 4.681 124.508 119.914 -0.144 0.000 2.236 123 V HA -0.364 3.757 4.120 0.001 0.000 0.255 123 V C 1.895 177.909 176.094 -0.133 0.000 1.068 123 V CA 2.762 64.965 62.300 -0.161 0.000 1.044 123 V CB -0.551 31.183 31.823 -0.148 0.000 0.653 123 V HN 0.929 nan 8.190 nan 0.000 0.448 124 A N -0.703 122.068 122.820 -0.083 0.000 2.577 124 A HA 0.369 4.690 4.320 0.001 0.000 0.280 124 A C 0.719 178.260 177.584 -0.071 0.000 1.331 124 A CA 0.333 52.332 52.037 -0.064 0.000 0.935 124 A CB -0.352 18.636 19.000 -0.021 0.000 1.082 124 A HN 0.532 nan 8.150 nan 0.000 0.525 125 N N -0.081 118.553 118.700 -0.109 0.000 2.658 125 N HA 0.118 4.858 4.740 0.001 0.000 0.238 125 N C -2.353 173.062 175.510 -0.157 0.000 1.495 125 N CA -0.865 52.113 53.050 -0.121 0.000 0.883 125 N CB 0.838 39.248 38.487 -0.128 0.000 1.463 125 N HN 0.031 nan 8.380 nan 0.000 0.531 126 P HA -0.071 nan 4.420 nan 0.000 0.226 126 P C -0.018 177.205 177.300 -0.129 0.000 1.146 126 P CA 1.206 64.221 63.100 -0.142 0.000 0.773 126 P CB 0.465 32.095 31.700 -0.116 0.000 0.772 127 E N -0.666 119.465 120.200 -0.114 0.000 2.538 127 E HA 0.066 4.417 4.350 0.001 0.000 0.207 127 E C 0.384 176.923 176.600 -0.102 0.000 1.002 127 E CA -0.317 56.025 56.400 -0.097 0.000 0.952 127 E CB 0.183 29.838 29.700 -0.074 0.000 1.031 127 E HN 0.343 nan 8.360 nan 0.000 0.476 128 D N 2.441 122.762 120.400 -0.132 0.000 2.472 128 D HA -0.063 4.578 4.640 0.001 0.000 0.237 128 D C 1.137 177.367 176.300 -0.116 0.000 1.141 128 D CA 0.353 54.276 54.000 -0.129 0.000 0.875 128 D CB 1.062 41.754 40.800 -0.180 0.000 1.192 128 D HN 0.087 nan 8.370 nan 0.000 0.450 129 K N 2.710 123.060 120.400 -0.083 0.000 2.442 129 K HA -0.137 4.184 4.320 0.001 0.000 0.198 129 K C 1.825 178.385 176.600 -0.067 0.000 1.042 129 K CA 0.510 56.758 56.287 -0.065 0.000 0.958 129 K CB 0.015 32.489 32.500 -0.043 0.000 0.766 129 K HN 0.253 nan 8.250 nan 0.000 0.474 130 L N 1.640 122.812 121.223 -0.086 0.000 2.240 130 L HA 0.189 4.530 4.340 0.001 0.000 0.211 130 L C 0.580 177.386 176.870 -0.107 0.000 1.106 130 L CA 0.679 55.476 54.840 -0.072 0.000 0.793 130 L CB -0.034 41.990 42.059 -0.058 0.000 0.927 130 L HN 0.164 nan 8.230 nan 0.000 0.446 131 I N 0.624 121.094 120.570 -0.167 0.000 2.826 131 I HA 0.033 4.203 4.170 0.001 0.000 0.295 131 I C 1.658 177.711 176.117 -0.107 0.000 1.213 131 I CA 1.009 62.200 61.300 -0.181 0.000 1.436 131 I CB -0.257 37.622 38.000 -0.201 0.000 1.348 131 I HN 0.491 nan 8.210 nan 0.000 0.570 132 G N 3.893 112.640 108.800 -0.089 0.000 2.212 132 G HA2 -0.362 3.599 3.960 0.001 0.000 0.266 132 G HA3 -0.362 3.599 3.960 0.001 0.000 0.266 132 G C 0.881 175.768 174.900 -0.022 0.000 0.978 132 G CA 0.809 45.880 45.100 -0.048 0.000 0.632 132 G HN 0.776 nan 8.290 nan 0.000 0.537 133 T N -3.256 111.287 114.554 -0.019 0.000 3.107 133 T HA 0.497 4.848 4.350 0.001 0.000 0.249 133 T C 0.757 175.471 174.700 0.023 0.000 1.096 133 T CA 1.655 63.755 62.100 -0.000 0.000 1.012 133 T CB 0.802 69.668 68.868 -0.004 0.000 0.977 133 T HN 1.227 nan 8.240 nan 0.000 0.527 134 T N -1.376 113.203 114.554 0.042 0.000 2.661 134 T HA 0.630 4.981 4.350 0.001 0.000 0.305 134 T C -1.290 173.485 174.700 0.124 0.000 1.441 134 T CA 0.118 62.265 62.100 0.077 0.000 0.999 134 T CB 1.226 70.152 68.868 0.096 0.000 1.650 134 T HN 0.717 nan 8.240 nan 0.000 0.489 135 G N -0.135 108.759 108.800 0.156 0.000 2.430 135 G HA2 0.557 4.517 3.960 0.001 0.000 0.300 135 G HA3 0.557 4.517 3.960 0.001 0.000 0.300 135 G C -0.977 173.993 174.900 0.116 0.000 1.330 135 G CA 0.116 45.354 45.100 0.230 0.000 0.813 135 G HN 1.510 nan 8.290 nan 0.000 0.487 136 V N -1.877 118.042 119.914 0.009 0.000 2.837 136 V HA 0.820 4.941 4.120 0.001 0.000 0.310 136 V C 0.540 176.564 176.094 -0.117 0.000 1.059 136 V CA -0.545 61.671 62.300 -0.139 0.000 1.004 136 V CB 1.177 32.767 31.823 -0.388 0.000 1.045 136 V HN 0.881 nan 8.190 nan 0.000 0.465 137 T N 3.396 117.864 114.554 -0.144 0.000 2.940 137 T HA 0.371 4.722 4.350 0.001 0.000 0.309 137 T C 0.502 174.929 174.700 -0.455 0.000 1.056 137 T CA 0.603 62.539 62.100 -0.272 0.000 1.137 137 T CB 0.288 68.976 68.868 -0.301 0.000 0.976 137 T HN 1.233 nan 8.240 nan 0.000 0.547 138 T N 0.391 114.664 114.554 -0.469 0.000 2.945 138 T HA 0.646 4.997 4.350 0.001 0.000 0.286 138 T C -1.172 173.133 174.700 -0.659 0.000 1.025 138 T CA -0.850 61.022 62.100 -0.379 0.000 1.039 138 T CB 0.757 69.567 68.868 -0.096 0.000 1.068 138 T HN 0.498 nan 8.240 nan 0.000 0.497 139 Y N 0.581 120.921 120.300 0.068 0.000 2.338 139 Y HA 0.466 5.016 4.550 0.001 0.000 0.333 139 Y C -2.525 173.416 175.900 0.069 0.000 0.968 139 Y CA -2.598 55.533 58.100 0.051 0.000 1.123 139 Y CB 1.871 40.338 38.460 0.012 0.000 1.165 139 Y HN 0.510 nan 8.280 nan 0.000 0.452 140 P HA 0.036 nan 4.420 nan 0.000 0.266 140 P C -0.885 176.564 177.300 0.249 0.000 1.195 140 P CA 0.116 63.304 63.100 0.146 0.000 0.768 140 P CB 0.726 32.441 31.700 0.025 0.000 0.838 141 V N 3.720 123.810 119.914 0.292 0.000 2.680 141 V HA 0.377 4.497 4.120 0.001 0.000 0.309 141 V C -0.439 175.876 176.094 0.368 0.000 1.052 141 V CA -0.312 62.191 62.300 0.339 0.000 0.908 141 V CB 1.878 33.780 31.823 0.132 0.000 1.001 141 V HN 0.596 nan 8.190 nan 0.000 0.431 142 H N 3.437 122.678 119.070 0.285 0.000 3.092 142 H HA 0.405 4.962 4.556 0.001 0.000 0.308 142 H C -0.775 174.603 175.328 0.083 0.000 1.047 142 H CA -0.411 55.667 56.048 0.049 0.000 1.466 142 H CB 1.338 30.915 29.762 -0.309 0.000 1.597 142 H HN 0.810 nan 8.280 nan 0.000 0.512 143 E N 4.101 124.465 120.200 0.274 0.000 2.197 143 E HA 0.513 4.864 4.350 0.001 0.000 0.281 143 E C -1.305 175.433 176.600 0.230 0.000 0.995 143 E CA -0.758 55.767 56.400 0.208 0.000 0.808 143 E CB 1.415 31.169 29.700 0.090 0.000 1.093 143 E HN 0.286 nan 8.360 nan 0.000 0.394 144 V N 5.521 125.555 119.914 0.200 0.000 2.852 144 V HA 0.215 4.336 4.120 0.001 0.000 0.300 144 V C -1.229 174.939 176.094 0.123 0.000 1.205 144 V CA -0.688 61.700 62.300 0.147 0.000 0.940 144 V CB 1.768 33.656 31.823 0.109 0.000 1.047 144 V HN 0.965 nan 8.190 nan 0.000 0.429 145 N N 4.703 123.460 118.700 0.095 0.000 2.707 145 N HA -0.202 4.538 4.740 0.001 0.000 0.253 145 N C 1.053 176.627 175.510 0.107 0.000 0.998 145 N CA 1.963 55.066 53.050 0.090 0.000 0.751 145 N CB -1.035 37.503 38.487 0.085 0.000 0.920 145 N HN 1.971 nan 8.380 nan 0.000 0.539 146 G N -1.747 107.119 108.800 0.110 0.000 2.175 146 G HA2 -0.309 3.651 3.960 0.001 0.000 0.244 146 G HA3 -0.309 3.651 3.960 0.001 0.000 0.244 146 G C 0.013 175.026 174.900 0.188 0.000 0.982 146 G CA 0.523 45.709 45.100 0.143 0.000 0.641 146 G HN 0.419 nan 8.290 nan 0.000 0.527 147 M N 0.306 119.966 119.600 0.101 0.000 2.395 147 M HA 0.601 5.081 4.480 0.001 0.000 0.307 147 M C -0.414 175.785 176.300 -0.168 0.000 1.091 147 M CA -0.707 54.536 55.300 -0.096 0.000 0.919 147 M CB 2.435 34.863 32.600 -0.286 0.000 1.662 147 M HN 0.025 nan 8.290 nan 0.000 0.440 148 I N 3.047 123.435 120.570 -0.305 0.000 2.328 148 I HA 0.351 4.522 4.170 0.001 0.000 0.287 148 I C -1.114 174.786 176.117 -0.362 0.000 1.012 148 I CA -0.275 60.917 61.300 -0.179 0.000 1.195 148 I CB 0.522 38.472 38.000 -0.084 0.000 1.350 148 I HN 0.487 nan 8.210 nan 0.000 0.464 149 F N 5.560 125.461 119.950 -0.081 0.000 2.397 149 F HA 0.571 5.099 4.527 0.001 0.000 0.331 149 F C 0.189 176.142 175.800 0.254 0.000 1.090 149 F CA -0.658 57.328 58.000 -0.023 0.000 1.065 149 F CB 1.624 40.583 39.000 -0.069 0.000 1.184 149 F HN 0.004 nan 8.300 nan 0.000 0.499 150 V N 3.237 123.397 119.914 0.409 0.000 2.656 150 V HA 0.252 4.372 4.120 0.001 0.000 0.307 150 V C -1.055 175.118 176.094 0.131 0.000 1.051 150 V CA -0.957 61.512 62.300 0.282 0.000 0.893 150 V CB 2.016 33.888 31.823 0.082 0.000 0.999 150 V HN 0.522 nan 8.190 nan 0.000 0.426 151 F N 5.381 125.071 119.950 -0.434 0.000 2.423 151 F HA 0.472 5.000 4.527 0.001 0.000 0.356 151 F C 0.183 175.808 175.800 -0.292 0.000 1.170 151 F CA -0.418 57.085 58.000 -0.828 0.000 1.163 151 F CB 0.694 38.811 39.000 -1.471 0.000 1.318 151 F HN 0.278 nan 8.300 nan 0.000 0.569 152 V N 7.670 127.298 119.914 -0.477 0.000 2.415 152 V HA 0.285 4.406 4.120 0.001 0.000 0.267 152 V C 0.109 175.895 176.094 -0.513 0.000 1.042 152 V CA -0.128 61.950 62.300 -0.371 0.000 1.000 152 V CB -0.028 31.643 31.823 -0.254 0.000 1.015 152 V HN 0.757 nan 8.190 nan 0.000 0.478 153 R N 3.135 123.516 120.500 -0.198 0.000 2.867 153 R HA 0.695 5.036 4.340 0.001 0.000 0.268 153 R C -0.691 175.633 176.300 0.040 0.000 1.014 153 R CA -1.029 54.927 56.100 -0.240 0.000 0.946 153 R CB 1.924 32.121 30.300 -0.171 0.000 1.208 153 R HN 0.533 nan 8.270 nan 0.000 0.477 154 E N 0.555 120.776 120.200 0.036 0.000 2.392 154 E HA -0.009 4.341 4.350 0.001 0.000 0.259 154 E C -0.111 176.562 176.600 0.121 0.000 1.108 154 E CA -0.481 55.974 56.400 0.092 0.000 0.916 154 E CB 0.578 30.344 29.700 0.110 0.000 0.989 154 E HN 0.532 nan 8.360 nan 0.000 0.432 155 D N 1.390 121.839 120.400 0.081 0.000 2.182 155 D HA -0.165 4.475 4.640 0.001 0.000 0.201 155 D C 1.006 177.340 176.300 0.057 0.000 0.986 155 D CA 1.365 55.393 54.000 0.047 0.000 0.847 155 D CB -0.141 40.675 40.800 0.027 0.000 0.942 155 D HN 0.482 nan 8.370 nan 0.000 0.467 156 D N -0.975 119.476 120.400 0.085 0.000 2.363 156 D HA -0.068 4.573 4.640 0.001 0.000 0.214 156 D C 0.134 176.495 176.300 0.101 0.000 1.093 156 D CA -0.622 53.420 54.000 0.070 0.000 0.837 156 D CB -0.975 39.851 40.800 0.042 0.000 0.948 156 D HN 0.046 nan 8.370 nan 0.000 0.507 157 F N 3.441 123.408 119.950 0.028 0.000 2.506 157 F HA 0.251 4.779 4.527 0.001 0.000 0.371 157 F C -1.893 173.932 175.800 0.042 0.000 1.078 157 F CA -2.107 55.925 58.000 0.053 0.000 1.195 157 F CB 0.494 39.554 39.000 0.100 0.000 1.099 157 F HN -0.167 nan 8.300 nan 0.000 0.548 158 P HA 0.023 nan 4.420 nan 0.000 0.271 158 P C -0.191 177.068 177.300 -0.068 0.000 1.218 158 P CA -0.084 62.912 63.100 -0.174 0.000 0.780 158 P CB 0.956 32.514 31.700 -0.236 0.000 0.901 159 D N 1.951 122.350 120.400 -0.001 0.000 2.149 159 D HA -0.164 4.476 4.640 0.001 0.000 0.198 159 D C 1.533 177.826 176.300 -0.012 0.000 0.990 159 D CA 1.608 55.623 54.000 0.025 0.000 0.839 159 D CB -0.275 40.533 40.800 0.014 0.000 0.948 159 D HN 0.539 nan 8.370 nan 0.000 0.460 160 E N 0.326 120.497 120.200 -0.048 0.000 2.265 160 E HA -0.120 4.230 4.350 0.001 0.000 0.196 160 E C 0.948 177.510 176.600 -0.063 0.000 0.996 160 E CA 0.886 57.254 56.400 -0.053 0.000 0.832 160 E CB 0.041 29.705 29.700 -0.060 0.000 0.756 160 E HN 0.244 nan 8.360 nan 0.000 0.491 161 D N -0.329 120.005 120.400 -0.109 0.000 2.339 161 D HA 0.013 4.654 4.640 0.001 0.000 0.217 161 D C -0.288 176.092 176.300 0.133 0.000 1.050 161 D CA 0.094 54.040 54.000 -0.089 0.000 0.856 161 D CB 0.361 40.896 40.800 -0.440 0.000 0.922 161 D HN -0.050 nan 8.370 nan 0.000 0.518 162 V N 4.479 124.438 119.914 0.076 0.000 2.458 162 V HA 0.077 4.198 4.120 0.001 0.000 0.287 162 V C -1.533 174.451 176.094 -0.183 0.000 1.009 162 V CA -0.742 61.407 62.300 -0.253 0.000 1.091 162 V CB 0.301 31.882 31.823 -0.402 0.000 0.960 162 V HN 0.087 nan 8.190 nan 0.000 0.476 163 P HA 0.396 nan 4.420 nan 0.000 0.278 163 P C -2.765 174.538 177.300 0.004 0.000 1.266 163 P CA -2.007 61.060 63.100 -0.054 0.000 0.807 163 P CB 0.555 32.302 31.700 0.079 0.000 1.094 164 P HA 0.031 nan 4.420 nan 0.000 0.275 164 P C 1.099 178.150 177.300 -0.415 0.000 1.227 164 P CA -0.365 62.555 63.100 -0.299 0.000 0.781 164 P CB 0.715 32.177 31.700 -0.396 0.000 0.906 165 L N 4.209 124.932 121.223 -0.834 0.000 2.051 165 L HA -0.268 4.072 4.340 0.001 0.000 0.214 165 L C 2.397 178.850 176.870 -0.696 0.000 1.076 165 L CA 2.704 56.710 54.840 -1.389 0.000 0.758 165 L CB -1.657 39.406 42.059 -1.660 0.000 0.890 165 L HN 0.503 nan 8.230 nan 0.000 0.433 166 A N -1.516 121.019 122.820 -0.475 0.000 1.997 166 A HA -0.306 4.015 4.320 0.001 0.000 0.221 166 A C 2.139 179.685 177.584 -0.064 0.000 1.172 166 A CA 2.062 53.945 52.037 -0.257 0.000 0.645 166 A CB -1.232 17.679 19.000 -0.149 0.000 0.813 166 A HN 0.801 nan 8.150 nan 0.000 0.454 167 H N -1.545 117.435 119.070 -0.149 0.000 2.491 167 H HA -0.067 4.490 4.556 0.001 0.000 0.290 167 H C 0.345 175.653 175.328 -0.034 0.000 1.050 167 H CA 0.763 56.775 56.048 -0.060 0.000 1.309 167 H CB 0.223 29.996 29.762 0.019 0.000 1.392 167 H HN 0.403 nan 8.280 nan 0.000 0.554 168 D N 0.290 120.739 120.400 0.082 0.000 2.501 168 D HA 0.198 4.839 4.640 0.001 0.000 0.226 168 D C -0.571 175.696 176.300 -0.055 0.000 1.198 168 D CA 0.099 54.152 54.000 0.088 0.000 0.830 168 D CB 0.507 41.474 40.800 0.278 0.000 1.014 168 D HN 0.125 nan 8.370 nan 0.000 0.496 169 L N 0.135 121.255 121.223 -0.171 0.000 2.333 169 L HA 0.477 4.817 4.340 0.001 0.000 0.263 169 L C -2.256 174.426 176.870 -0.312 0.000 1.014 169 L CA -2.044 52.650 54.840 -0.244 0.000 0.820 169 L CB 2.058 43.921 42.059 -0.327 0.000 1.352 169 L HN -0.276 nan 8.230 nan 0.000 0.421 170 P HA -0.018 nan 4.420 nan 0.000 0.269 170 P C -0.861 176.267 177.300 -0.287 0.000 1.211 170 P CA 0.023 62.911 63.100 -0.353 0.000 0.781 170 P CB 0.215 31.866 31.700 -0.082 0.000 0.877 171 F N 0.563 120.471 119.950 -0.070 0.000 2.607 171 F HA 0.042 4.569 4.527 0.001 0.000 0.374 171 F C 1.721 177.423 175.800 -0.163 0.000 1.104 171 F CA 0.356 58.279 58.000 -0.129 0.000 1.296 171 F CB 0.073 38.964 39.000 -0.183 0.000 1.085 171 F HN 0.037 nan 8.300 nan 0.000 0.584 172 R N 2.713 123.188 120.500 -0.042 0.000 2.486 172 R HA 0.599 4.939 4.340 0.001 0.000 0.286 172 R C -1.396 174.731 176.300 -0.287 0.000 0.999 172 R CA -0.741 55.325 56.100 -0.057 0.000 0.993 172 R CB 1.099 31.396 30.300 -0.005 0.000 1.084 172 R HN 0.428 nan 8.270 nan 0.000 0.487 173 F N 1.483 121.527 119.950 0.156 0.000 2.563 173 F HA 0.342 4.869 4.527 0.001 0.000 0.316 173 F C -1.176 174.703 175.800 0.132 0.000 1.076 173 F CA -2.168 55.928 58.000 0.161 0.000 0.921 173 F CB 1.692 40.771 39.000 0.132 0.000 1.209 173 F HN 0.419 nan 8.300 nan 0.000 0.462 174 P HA -0.110 nan 4.420 nan 0.000 0.237 174 P C 1.071 178.486 177.300 0.192 0.000 1.178 174 P CA 0.890 64.186 63.100 0.327 0.000 0.766 174 P CB 0.150 31.986 31.700 0.227 0.000 0.876 175 E N 1.585 121.840 120.200 0.092 0.000 2.136 175 E HA -0.215 4.136 4.350 0.001 0.000 0.202 175 E C 1.140 177.725 176.600 -0.026 0.000 1.019 175 E CA 1.222 57.632 56.400 0.017 0.000 0.819 175 E CB -0.035 29.658 29.700 -0.011 0.000 0.739 175 E HN 0.247 nan 8.360 nan 0.000 0.458 176 R N -0.074 120.356 120.500 -0.117 0.000 2.633 176 R HA 0.225 4.566 4.340 0.001 0.000 0.348 176 R C 1.379 177.735 176.300 0.093 0.000 1.100 176 R CA 0.001 56.011 56.100 -0.150 0.000 1.068 176 R CB 0.743 30.891 30.300 -0.253 0.000 1.351 176 R HN 0.019 nan 8.270 nan 0.000 0.575 177 S N 1.423 117.321 115.700 0.329 0.000 2.423 177 S HA -0.154 4.317 4.470 0.001 0.000 0.231 177 S C 2.254 176.993 174.600 0.232 0.000 1.014 177 S CA 1.747 60.275 58.200 0.547 0.000 0.965 177 S CB 0.196 63.662 63.200 0.443 0.000 0.785 177 S HN 0.692 nan 8.310 nan 0.000 0.495 178 E N 1.218 121.466 120.200 0.079 0.000 2.112 178 E HA -0.078 4.273 4.350 0.001 0.000 0.190 178 E C 1.753 178.317 176.600 -0.061 0.000 0.979 178 E CA 1.168 57.564 56.400 -0.007 0.000 0.814 178 E CB -0.773 28.905 29.700 -0.037 0.000 0.762 178 E HN 0.677 nan 8.360 nan 0.000 0.460 179 Q N -1.739 117.949 119.800 -0.187 0.000 2.123 179 Q HA 0.046 4.386 4.340 0.001 0.000 0.199 179 Q C -0.234 175.490 176.000 -0.460 0.000 0.966 179 Q CA 0.863 56.377 55.803 -0.481 0.000 0.845 179 Q CB 0.075 28.277 28.738 -0.894 0.000 0.907 179 Q HN 0.580 nan 8.270 nan 0.000 0.439 180 F N 1.116 121.249 119.950 0.304 0.000 2.550 180 F HA 0.435 4.963 4.527 0.001 0.000 0.348 180 F C -2.272 173.845 175.800 0.528 0.000 1.219 180 F CA -2.637 55.662 58.000 0.498 0.000 1.203 180 F CB 1.244 40.460 39.000 0.360 0.000 1.436 180 F HN -0.064 nan 8.300 nan 0.000 0.541 181 P HA -0.043 nan 4.420 nan 0.000 0.264 181 P C -0.657 176.703 177.300 0.099 0.000 1.183 181 P CA 0.514 63.708 63.100 0.156 0.000 0.763 181 P CB 0.133 31.847 31.700 0.023 0.000 0.807 182 H N 1.905 120.842 119.070 -0.221 0.000 2.514 182 H HA 0.303 4.860 4.556 0.001 0.000 0.226 182 H C -2.270 172.599 175.328 -0.765 0.000 1.421 182 H CA -2.046 53.561 56.048 -0.735 0.000 1.394 182 H CB 0.092 29.291 29.762 -0.938 0.000 1.701 182 H HN 0.204 nan 8.280 nan 0.000 0.515 183 P HA -0.131 nan 4.420 nan 0.000 0.222 183 P C 0.895 177.957 177.300 -0.397 0.000 1.147 183 P CA 0.707 63.557 63.100 -0.417 0.000 0.790 183 P CB 0.660 32.192 31.700 -0.281 0.000 0.780 184 L N -2.174 118.710 121.223 -0.566 0.000 2.591 184 L HA 0.134 4.475 4.340 0.001 0.000 0.228 184 L C 0.506 177.301 176.870 -0.126 0.000 1.133 184 L CA -0.105 54.491 54.840 -0.406 0.000 0.880 184 L CB -0.508 41.240 42.059 -0.518 0.000 1.033 184 L HN 0.116 nan 8.230 nan 0.000 0.450 185 W N -2.089 119.157 121.300 -0.090 0.000 3.275 185 W HA 0.533 5.194 4.660 0.001 0.000 0.306 185 W C -3.113 173.430 176.519 0.040 0.000 1.259 185 W CA -2.199 55.101 57.345 -0.074 0.000 1.194 185 W CB -0.278 29.100 29.460 -0.136 0.000 1.375 185 W HN -0.397 nan 8.180 nan 0.000 0.564 186 P HA 0.153 nan 4.420 nan 0.000 0.274 186 P C -0.071 177.379 177.300 0.250 0.000 1.237 186 P CA 0.025 63.256 63.100 0.219 0.000 0.793 186 P CB 1.123 32.904 31.700 0.134 0.000 0.977 187 S N 0.639 116.490 115.700 0.251 0.000 2.563 187 S HA 0.071 4.542 4.470 0.001 0.000 0.294 187 S C 0.547 175.189 174.600 0.070 0.000 1.279 187 S CA 0.082 58.335 58.200 0.088 0.000 1.069 187 S CB -0.453 62.908 63.200 0.269 0.000 0.828 187 S HN 0.358 nan 8.310 nan 0.000 0.497 188 S N 5.141 120.813 115.700 -0.047 0.000 2.548 188 S HA 0.334 4.804 4.470 0.001 0.000 0.277 188 S C -1.778 172.923 174.600 0.169 0.000 1.315 188 S CA -0.944 57.270 58.200 0.024 0.000 1.050 188 S CB 0.508 63.670 63.200 -0.063 0.000 0.918 188 S HN 0.552 nan 8.310 nan 0.000 0.497 189 P HA 0.257 nan 4.420 nan 0.000 0.276 189 P C -0.669 176.788 177.300 0.261 0.000 1.252 189 P CA -0.494 62.710 63.100 0.173 0.000 0.802 189 P CB 1.017 32.782 31.700 0.108 0.000 1.035 190 S N -0.323 115.498 115.700 0.201 0.000 2.568 190 S HA 0.244 4.714 4.470 0.001 0.000 0.302 190 S C 1.185 175.842 174.600 0.093 0.000 1.082 190 S CA -0.848 57.448 58.200 0.159 0.000 1.009 190 S CB 0.806 64.044 63.200 0.063 0.000 1.069 190 S HN 0.139 nan 8.310 nan 0.000 0.500 191 V N 4.562 124.486 119.914 0.017 0.000 2.867 191 V HA -0.095 4.026 4.120 0.001 0.000 0.260 191 V C 1.790 177.879 176.094 -0.010 0.000 1.099 191 V CA 1.565 63.891 62.300 0.043 0.000 1.122 191 V CB -0.847 31.007 31.823 0.052 0.000 0.708 191 V HN 0.758 nan 8.190 nan 0.000 0.490 192 L N -1.023 120.161 121.223 -0.066 0.000 2.446 192 L HA 0.116 4.457 4.340 0.001 0.000 0.219 192 L C 0.520 177.379 176.870 -0.018 0.000 1.116 192 L CA 0.100 54.891 54.840 -0.081 0.000 0.844 192 L CB -0.234 41.739 42.059 -0.143 0.000 0.970 192 L HN 0.298 nan 8.230 nan 0.000 0.457 193 D N 0.857 121.265 120.400 0.014 0.000 2.414 193 D HA 0.042 4.683 4.640 0.001 0.000 0.242 193 D C -0.193 176.125 176.300 0.029 0.000 1.129 193 D CA 0.084 54.102 54.000 0.030 0.000 0.885 193 D CB 0.664 41.495 40.800 0.052 0.000 1.198 193 D HN -0.078 nan 8.370 nan 0.000 0.437 194 D N 0.745 121.160 120.400 0.025 0.000 2.455 194 D HA 0.018 4.659 4.640 0.001 0.000 0.241 194 D C 0.746 177.062 176.300 0.026 0.000 1.138 194 D CA 0.397 54.412 54.000 0.024 0.000 0.877 194 D CB 0.117 40.929 40.800 0.020 0.000 1.187 194 D HN 0.415 nan 8.370 nan 0.000 0.451 195 N N -0.759 117.958 118.700 0.029 0.000 2.828 195 N HA -0.225 4.516 4.740 0.001 0.000 0.248 195 N C -0.512 175.016 175.510 0.029 0.000 1.044 195 N CA 0.436 53.504 53.050 0.029 0.000 0.851 195 N CB -0.584 37.915 38.487 0.020 0.000 1.136 195 N HN 0.483 nan 8.380 nan 0.000 0.572 196 A N 0.724 123.567 122.820 0.038 0.000 2.450 196 A HA 0.508 4.829 4.320 0.001 0.000 0.255 196 A C 0.423 178.044 177.584 0.062 0.000 1.096 196 A CA 0.064 52.129 52.037 0.046 0.000 0.778 196 A CB 0.658 19.700 19.000 0.069 0.000 1.031 196 A HN 0.078 nan 8.150 nan 0.000 0.494 197 V N 3.648 123.604 119.914 0.071 0.000 2.513 197 V HA 0.417 4.537 4.120 0.001 0.000 0.299 197 V C -0.117 176.059 176.094 0.136 0.000 1.035 197 V CA -0.513 61.841 62.300 0.090 0.000 0.889 197 V CB 1.697 33.622 31.823 0.170 0.000 0.988 197 V HN 0.643 nan 8.190 nan 0.000 0.440 198 V N 4.545 124.448 119.914 -0.018 0.000 2.459 198 V HA 0.569 4.690 4.120 0.001 0.000 0.295 198 V C -0.664 175.220 176.094 -0.350 0.000 1.029 198 V CA -0.547 61.759 62.300 0.009 0.000 0.874 198 V CB 1.553 33.473 31.823 0.162 0.000 0.985 198 V HN 0.832 nan 8.190 nan 0.000 0.438 199 H N 2.521 121.512 119.070 -0.133 0.000 2.759 199 H HA 0.813 5.370 4.556 0.001 0.000 0.354 199 H C 0.262 175.318 175.328 -0.453 0.000 1.074 199 H CA 0.287 55.954 56.048 -0.635 0.000 1.226 199 H CB 2.151 31.080 29.762 -1.389 0.000 1.648 199 H HN 0.955 nan 8.280 nan 0.000 0.529 200 G N 1.424 110.071 108.800 -0.255 0.000 2.367 200 G HA2 0.389 4.349 3.960 0.001 0.000 0.272 200 G HA3 0.389 4.349 3.960 0.001 0.000 0.272 200 G C -1.409 173.512 174.900 0.035 0.000 1.271 200 G CA -0.270 44.869 45.100 0.066 0.000 0.893 200 G HN 0.587 nan 8.290 nan 0.000 0.485 201 M N -1.090 118.625 119.600 0.192 0.000 2.949 201 M HA 0.735 5.215 4.480 0.001 0.000 0.270 201 M C -1.369 174.903 176.300 -0.046 0.000 1.221 201 M CA -1.039 54.337 55.300 0.127 0.000 0.818 201 M CB 2.189 34.776 32.600 -0.022 0.000 1.635 201 M HN 1.214 nan 8.290 nan 0.000 0.492 202 H N -0.982 117.879 119.070 -0.349 0.000 2.894 202 H HA 0.914 5.471 4.556 0.001 0.000 0.367 202 H C -1.615 173.440 175.328 -0.455 0.000 1.144 202 H CA -0.841 54.735 56.048 -0.787 0.000 1.180 202 H CB 1.610 30.125 29.762 -2.079 0.000 1.758 202 H HN 0.948 nan 8.280 nan 0.000 0.541 203 R N 1.204 121.575 120.500 -0.215 0.000 2.710 203 R HA 0.454 4.794 4.340 0.001 0.000 0.270 203 R C -1.464 174.730 176.300 -0.175 0.000 1.021 203 R CA -0.902 55.117 56.100 -0.136 0.000 0.889 203 R CB 1.018 31.288 30.300 -0.051 0.000 1.243 203 R HN 0.636 nan 8.270 nan 0.000 0.464 204 T N 0.977 115.388 114.554 -0.240 0.000 2.870 204 T HA 0.339 4.689 4.350 0.001 0.000 0.300 204 T C 0.367 174.584 174.700 -0.805 0.000 0.989 204 T CA 0.354 62.167 62.100 -0.479 0.000 1.139 204 T CB 0.896 69.502 68.868 -0.437 0.000 0.920 204 T HN 0.614 nan 8.240 nan 0.000 0.537 205 G N 1.675 109.869 108.800 -1.011 0.000 2.388 205 G HA2 0.601 4.562 3.960 0.001 0.000 0.330 205 G HA3 0.601 4.562 3.960 0.001 0.000 0.330 205 G C -0.930 173.336 174.900 -1.057 0.000 1.142 205 G CA -0.794 43.671 45.100 -1.059 0.000 0.908 205 G HN 0.617 nan 8.290 nan 0.000 0.473 206 F N 1.614 121.477 119.950 -0.144 0.000 2.350 206 F HA 0.647 5.174 4.527 0.001 0.000 0.365 206 F C 0.919 176.736 175.800 0.028 0.000 1.122 206 F CA 0.114 58.078 58.000 -0.060 0.000 1.139 206 F CB 1.520 40.490 39.000 -0.050 0.000 1.220 206 F HN 0.875 nan 8.300 nan 0.000 0.499 207 G N 2.354 111.244 108.800 0.150 0.000 2.326 207 G HA2 -0.016 3.945 3.960 0.001 0.000 0.413 207 G HA3 -0.016 3.945 3.960 0.001 0.000 0.413 207 G C -1.646 173.380 174.900 0.210 0.000 1.444 207 G CA -1.473 43.718 45.100 0.151 0.000 1.002 207 G HN 0.640 nan 8.290 nan 0.000 0.649 208 N N 0.641 119.415 118.700 0.124 0.000 2.407 208 N HA 0.139 4.879 4.740 0.001 0.000 0.250 208 N C 1.834 177.321 175.510 -0.038 0.000 1.236 208 N CA 0.592 53.689 53.050 0.079 0.000 0.879 208 N CB 0.302 38.821 38.487 0.054 0.000 1.088 208 N HN 0.742 nan 8.380 nan 0.000 0.450 209 W N 4.445 125.683 121.300 -0.104 0.000 2.342 209 W HA -0.174 4.486 4.660 0.001 0.000 0.297 209 W C 0.979 177.385 176.519 -0.187 0.000 1.213 209 W CA 0.602 57.812 57.345 -0.226 0.000 1.251 209 W CB -0.606 28.825 29.460 -0.049 0.000 1.136 209 W HN 0.557 nan 8.180 nan 0.000 0.526 210 R N 0.337 120.068 120.500 -1.283 0.000 2.083 210 R HA -0.170 4.171 4.340 0.001 0.000 0.237 210 R C 2.345 178.380 176.300 -0.442 0.000 1.137 210 R CA 2.067 57.503 56.100 -1.106 0.000 0.951 210 R CB -0.510 29.129 30.300 -1.100 0.000 0.851 210 R HN 0.109 nan 8.270 nan 0.000 0.434 211 I N 0.639 120.982 120.570 -0.378 0.000 2.394 211 I HA -0.171 3.999 4.170 0.001 0.000 0.251 211 I C 2.358 178.247 176.117 -0.380 0.000 1.136 211 I CA 1.179 62.251 61.300 -0.380 0.000 1.425 211 I CB -1.263 36.528 38.000 -0.349 0.000 1.079 211 I HN 0.175 nan 8.210 nan 0.000 0.425 212 A N -0.305 122.272 122.820 -0.405 0.000 1.930 212 A HA -0.214 4.106 4.320 0.001 0.000 0.215 212 A C 2.611 179.749 177.584 -0.744 0.000 1.176 212 A CA 1.373 53.151 52.037 -0.432 0.000 0.632 212 A CB -1.177 17.539 19.000 -0.473 0.000 0.819 212 A HN 0.525 nan 8.150 nan 0.000 0.445 213 C N 0.297 119.068 119.300 -0.883 0.000 2.429 213 C HA -0.085 4.376 4.460 0.001 0.000 0.277 213 C C 2.429 176.941 174.990 -0.796 0.000 1.262 213 C CA 1.506 59.783 59.018 -1.234 0.000 1.733 213 C CB -1.301 26.184 27.740 -0.425 0.000 2.010 213 C HN 0.682 nan 8.230 nan 0.000 0.483 214 E N 0.397 120.238 120.200 -0.598 0.000 2.338 214 E HA -0.173 4.178 4.350 0.001 0.000 0.197 214 E C 2.007 177.990 176.600 -1.028 0.000 1.007 214 E CA 0.828 56.757 56.400 -0.785 0.000 0.849 214 E CB -0.407 29.062 29.700 -0.386 0.000 0.774 214 E HN 0.739 nan 8.360 nan 0.000 0.506 215 N N 1.257 119.502 118.700 -0.759 0.000 2.142 215 N HA -0.134 4.607 4.740 0.001 0.000 0.186 215 N C 2.055 177.072 175.510 -0.822 0.000 1.023 215 N CA 1.457 54.065 53.050 -0.737 0.000 0.852 215 N CB -0.203 37.944 38.487 -0.568 0.000 0.998 215 N HN 0.150 nan 8.380 nan 0.000 0.424 216 G N 0.575 109.034 108.800 -0.568 0.000 2.469 216 G HA2 -0.245 3.716 3.960 0.001 0.000 0.220 216 G HA3 -0.245 3.716 3.960 0.001 0.000 0.220 216 G C 1.056 175.862 174.900 -0.155 0.000 1.136 216 G CA 1.091 46.038 45.100 -0.255 0.000 0.759 216 G HN 0.556 nan 8.290 nan 0.000 0.562 217 F N -0.273 119.567 119.950 -0.184 0.000 2.684 217 F HA 0.453 4.981 4.527 0.001 0.000 0.298 217 F C -0.076 175.661 175.800 -0.105 0.000 1.120 217 F CA -1.709 56.206 58.000 -0.143 0.000 1.332 217 F CB -0.031 38.860 39.000 -0.182 0.000 0.986 217 F HN -0.123 nan 8.300 nan 0.000 0.524 218 D N 1.833 122.067 120.400 -0.277 0.000 2.295 218 D HA 0.060 4.701 4.640 0.001 0.000 0.248 218 D C 0.236 176.601 176.300 0.108 0.000 1.154 218 D CA -0.040 53.897 54.000 -0.104 0.000 0.857 218 D CB 0.738 41.424 40.800 -0.190 0.000 1.117 218 D HN 0.212 nan 8.370 nan 0.000 0.468 219 N N 2.464 121.166 118.700 0.002 0.000 2.398 219 N HA -0.000 4.741 4.740 0.001 0.000 0.188 219 N C 0.683 176.205 175.510 0.020 0.000 1.122 219 N CA 0.053 53.073 53.050 -0.051 0.000 0.866 219 N CB 0.788 39.111 38.487 -0.274 0.000 0.970 219 N HN 0.418 nan 8.380 nan 0.000 0.462 220 A N 0.308 123.167 122.820 0.065 0.000 2.390 220 A HA -0.006 4.315 4.320 0.001 0.000 0.232 220 A C 1.355 178.954 177.584 0.024 0.000 1.233 220 A CA -0.164 51.904 52.037 0.051 0.000 0.907 220 A CB -0.440 18.605 19.000 0.075 0.000 0.967 220 A HN 0.386 nan 8.150 nan 0.000 0.512 221 H N -0.229 118.810 119.070 -0.051 0.000 2.539 221 H HA 0.217 4.774 4.556 0.001 0.000 0.269 221 H C 1.235 176.518 175.328 -0.075 0.000 0.980 221 H CA 0.217 56.213 56.048 -0.086 0.000 1.152 221 H CB -0.412 29.269 29.762 -0.134 0.000 1.407 221 H HN 0.455 nan 8.280 nan 0.000 0.564 222 I N 0.795 121.095 120.570 -0.450 0.000 2.399 222 I HA -0.279 3.892 4.170 0.001 0.000 0.254 222 I C 2.492 178.524 176.117 -0.141 0.000 1.146 222 I CA 0.764 61.887 61.300 -0.296 0.000 1.412 222 I CB -0.306 37.623 38.000 -0.119 0.000 1.076 222 I HN 0.224 nan 8.210 nan 0.000 0.432 223 L N 0.276 121.433 121.223 -0.111 0.000 2.129 223 L HA -0.227 4.114 4.340 0.001 0.000 0.212 223 L C 2.493 179.302 176.870 -0.102 0.000 1.087 223 L CA 1.053 55.856 54.840 -0.062 0.000 0.757 223 L CB -0.210 41.825 42.059 -0.041 0.000 0.896 223 L HN 0.076 nan 8.230 nan 0.000 0.434 224 V N -1.007 118.781 119.914 -0.209 0.000 2.688 224 V HA -0.295 3.826 4.120 0.001 0.000 0.256 224 V C 1.877 177.725 176.094 -0.410 0.000 1.084 224 V CA 1.478 63.589 62.300 -0.315 0.000 1.103 224 V CB -0.837 30.744 31.823 -0.403 0.000 0.688 224 V HN 0.525 nan 8.190 nan 0.000 0.480 225 H N 0.030 119.010 119.070 -0.150 0.000 2.586 225 H HA 0.085 4.642 4.556 0.001 0.000 0.273 225 H C 2.059 177.404 175.328 0.028 0.000 0.997 225 H CA 0.544 56.500 56.048 -0.153 0.000 1.177 225 H CB 0.147 29.717 29.762 -0.320 0.000 1.471 225 H HN 0.611 nan 8.280 nan 0.000 0.538 226 K N 0.709 121.180 120.400 0.119 0.000 2.127 226 K HA -0.160 4.161 4.320 0.001 0.000 0.208 226 K C 0.528 177.295 176.600 0.278 0.000 1.047 226 K CA 2.040 58.424 56.287 0.162 0.000 0.927 226 K CB 0.079 32.643 32.500 0.107 0.000 0.716 226 K HN -0.004 nan 8.250 nan 0.000 0.450 227 D N 0.029 120.566 120.400 0.229 0.000 2.369 227 D HA 0.059 4.700 4.640 0.001 0.000 0.211 227 D C -0.423 176.043 176.300 0.277 0.000 1.077 227 D CA -0.127 54.028 54.000 0.258 0.000 0.842 227 D CB -0.122 40.734 40.800 0.094 0.000 0.947 227 D HN 0.162 nan 8.370 nan 0.000 0.509 228 N N 0.646 119.517 118.700 0.285 0.000 2.407 228 N HA -0.031 4.709 4.740 0.001 0.000 0.250 228 N C 1.331 177.030 175.510 0.315 0.000 1.236 228 N CA 0.425 53.642 53.050 0.279 0.000 0.879 228 N CB 0.816 39.514 38.487 0.351 0.000 1.088 228 N HN -0.060 nan 8.380 nan 0.000 0.450 229 T N 1.303 115.989 114.554 0.220 0.000 2.777 229 T HA -0.112 4.239 4.350 0.001 0.000 0.266 229 T C 1.866 176.626 174.700 0.100 0.000 1.040 229 T CA 0.541 62.740 62.100 0.164 0.000 1.141 229 T CB -0.103 68.818 68.868 0.089 0.000 0.868 229 T HN 0.558 nan 8.240 nan 0.000 0.444 230 I N 1.230 121.846 120.570 0.076 0.000 2.361 230 I HA -0.164 4.006 4.170 0.001 0.000 0.251 230 I C 2.140 178.065 176.117 -0.319 0.000 1.133 230 I CA 0.966 62.205 61.300 -0.102 0.000 1.413 230 I CB -0.073 37.899 38.000 -0.047 0.000 1.073 230 I HN 0.049 nan 8.210 nan 0.000 0.424 231 V N 0.836 120.706 119.914 -0.074 0.000 2.295 231 V HA -0.322 3.799 4.120 0.001 0.000 0.246 231 V C 2.118 177.979 176.094 -0.388 0.000 1.049 231 V CA 2.379 64.602 62.300 -0.129 0.000 1.024 231 V CB -1.071 30.777 31.823 0.043 0.000 0.648 231 V HN 0.538 nan 8.190 nan 0.000 0.447 232 H N -0.374 118.658 119.070 -0.064 0.000 2.544 232 H HA 0.303 4.860 4.556 0.001 0.000 0.269 232 H C 2.083 177.328 175.328 -0.137 0.000 0.970 232 H CA 0.901 56.910 56.048 -0.066 0.000 1.219 232 H CB -0.193 29.564 29.762 -0.009 0.000 1.421 232 H HN 0.423 nan 8.280 nan 0.000 0.555 233 A N 0.722 123.479 122.820 -0.106 0.000 2.016 233 A HA -0.037 4.284 4.320 0.001 0.000 0.217 233 A C 1.647 179.069 177.584 -0.269 0.000 1.162 233 A CA 0.947 52.897 52.037 -0.145 0.000 0.662 233 A CB -0.022 18.895 19.000 -0.139 0.000 0.812 233 A HN 0.197 nan 8.150 nan 0.000 0.450 234 M N -0.902 118.381 119.600 -0.529 0.000 2.505 234 M HA 0.114 4.595 4.480 0.001 0.000 0.230 234 M C 0.076 176.038 176.300 -0.563 0.000 1.153 234 M CA 0.319 55.170 55.300 -0.748 0.000 0.997 234 M CB -1.116 30.481 32.600 -1.672 0.000 1.606 234 M HN 0.448 nan 8.290 nan 0.000 0.481 235 D N 0.115 120.338 120.400 -0.295 0.000 2.811 235 D HA -0.177 4.464 4.640 0.001 0.000 0.231 235 D C -1.001 175.336 176.300 0.063 0.000 1.157 235 D CA 0.752 54.706 54.000 -0.076 0.000 0.716 235 D CB -0.274 40.518 40.800 -0.013 0.000 1.077 235 D HN 0.322 nan 8.370 nan 0.000 0.428 236 W N -0.285 120.987 121.300 -0.048 0.000 2.272 236 W HA 0.484 5.145 4.660 0.001 0.000 0.318 236 W C 0.381 176.867 176.519 -0.054 0.000 1.255 236 W CA -0.739 56.581 57.345 -0.041 0.000 1.200 236 W CB 0.528 29.966 29.460 -0.036 0.000 1.170 236 W HN -0.258 nan 8.180 nan 0.000 0.549 237 V N 6.160 126.205 119.914 0.218 0.000 2.235 237 V HA 0.138 4.259 4.120 0.001 0.000 0.266 237 V C 0.577 176.740 176.094 0.115 0.000 1.055 237 V CA -0.803 61.576 62.300 0.132 0.000 0.844 237 V CB -0.504 31.384 31.823 0.109 0.000 1.097 237 V HN 0.323 nan 8.190 nan 0.000 0.453 238 L N 5.669 126.964 121.223 0.121 0.000 2.503 238 L HA 0.166 4.506 4.340 0.001 0.000 0.287 238 L C -1.563 175.350 176.870 0.072 0.000 1.252 238 L CA -0.738 54.162 54.840 0.099 0.000 0.835 238 L CB 0.291 42.422 42.059 0.120 0.000 1.099 238 L HN 0.360 nan 8.230 nan 0.000 0.516 239 P HA 0.199 nan 4.420 nan 0.000 0.284 239 P C 0.618 177.941 177.300 0.038 0.000 1.258 239 P CA -0.665 62.459 63.100 0.040 0.000 0.824 239 P CB 1.293 33.007 31.700 0.022 0.000 1.038 240 L N 0.505 121.749 121.223 0.035 0.000 2.043 240 L HA -0.005 4.336 4.340 0.001 0.000 0.212 240 L C 1.513 178.396 176.870 0.022 0.000 1.075 240 L CA 2.119 56.977 54.840 0.030 0.000 0.752 240 L CB -0.916 41.161 42.059 0.030 0.000 0.891 240 L HN 0.671 nan 8.230 nan 0.000 0.432 241 G N -1.533 107.283 108.800 0.028 0.000 2.427 241 G HA2 0.484 4.445 3.960 0.001 0.000 0.306 241 G HA3 0.484 4.445 3.960 0.001 0.000 0.306 241 G C -1.905 173.025 174.900 0.050 0.000 1.280 241 G CA -0.814 44.303 45.100 0.029 0.000 0.837 241 G HN -0.088 nan 8.290 nan 0.000 0.482 242 L N 0.048 121.325 121.223 0.089 0.000 2.365 242 L HA 0.697 5.038 4.340 0.001 0.000 0.273 242 L C -0.758 176.315 176.870 0.339 0.000 1.000 242 L CA -0.767 54.179 54.840 0.176 0.000 0.819 242 L CB 2.073 44.211 42.059 0.132 0.000 1.284 242 L HN 0.323 nan 8.230 nan 0.000 0.418 243 L N 4.060 125.465 121.223 0.304 0.000 2.346 243 L HA 0.597 4.937 4.340 0.001 0.000 0.274 243 L C -2.302 174.562 176.870 -0.011 0.000 1.007 243 L CA -1.747 53.209 54.840 0.194 0.000 0.818 243 L CB 2.328 44.431 42.059 0.072 0.000 1.284 243 L HN 0.331 nan 8.230 nan 0.000 0.424 244 P HA 0.116 nan 4.420 nan 0.000 0.279 244 P C -0.010 177.061 177.300 -0.381 0.000 1.239 244 P CA -0.309 62.285 63.100 -0.844 0.000 0.789 244 P CB 1.468 32.632 31.700 -0.894 0.000 0.933 245 T N -1.669 112.681 114.554 -0.341 0.000 2.971 245 T HA 0.160 4.510 4.350 0.001 0.000 0.252 245 T C 0.759 175.371 174.700 -0.146 0.000 1.022 245 T CA 0.118 62.114 62.100 -0.175 0.000 0.980 245 T CB -0.202 68.597 68.868 -0.114 0.000 1.044 245 T HN 0.544 nan 8.240 nan 0.000 0.501 246 S N -0.235 115.357 115.700 -0.180 0.000 2.661 246 S HA 0.547 5.018 4.470 0.001 0.000 0.285 246 S C -0.206 174.334 174.600 -0.100 0.000 1.138 246 S CA -0.638 57.496 58.200 -0.110 0.000 0.855 246 S CB 1.840 64.992 63.200 -0.081 0.000 1.136 246 S HN -0.119 nan 8.310 nan 0.000 0.484 247 D N 0.830 121.204 120.400 -0.044 0.000 2.269 247 D HA 0.001 4.642 4.640 0.001 0.000 0.208 247 D C 0.458 176.776 176.300 0.030 0.000 0.963 247 D CA 1.263 55.257 54.000 -0.010 0.000 0.864 247 D CB -0.115 40.690 40.800 0.007 0.000 0.936 247 D HN 0.756 nan 8.370 nan 0.000 0.505 248 D N -0.306 120.120 120.400 0.043 0.000 2.587 248 D HA -0.028 4.613 4.640 0.001 0.000 0.233 248 D C 1.502 177.938 176.300 0.227 0.000 1.213 248 D CA -0.237 53.839 54.000 0.127 0.000 0.827 248 D CB -1.290 39.573 40.800 0.105 0.000 1.006 248 D HN 0.214 nan 8.370 nan 0.000 0.490 249 C N -0.878 118.502 119.300 0.132 0.000 2.466 249 C HA 0.341 4.801 4.460 0.001 0.000 0.283 249 C C 0.761 176.066 174.990 0.525 0.000 1.472 249 C CA -0.620 58.503 59.018 0.174 0.000 1.765 249 C CB -1.455 26.013 27.740 -0.453 0.000 1.724 249 C HN 0.346 nan 8.230 nan 0.000 0.560 250 I N 0.922 121.727 120.570 0.392 0.000 2.569 250 I HA 0.550 4.721 4.170 0.001 0.000 0.290 250 I C -0.128 176.126 176.117 0.227 0.000 1.088 250 I CA -0.477 60.984 61.300 0.269 0.000 1.047 250 I CB 1.796 39.947 38.000 0.251 0.000 1.237 250 I HN 0.117 nan 8.210 nan 0.000 0.421 251 A N 6.421 129.294 122.820 0.088 0.000 2.260 251 A HA 0.711 5.031 4.320 0.001 0.000 0.314 251 A C -0.559 177.087 177.584 0.105 0.000 1.257 251 A CA -0.453 51.699 52.037 0.193 0.000 0.871 251 A CB 0.826 20.012 19.000 0.310 0.000 1.166 251 A HN 0.438 nan 8.150 nan 0.000 0.522 252 V N 3.728 123.724 119.914 0.136 0.000 2.407 252 V HA 0.378 4.499 4.120 0.001 0.000 0.278 252 V C -0.116 176.040 176.094 0.104 0.000 1.037 252 V CA -0.328 62.044 62.300 0.121 0.000 0.900 252 V CB 1.281 33.184 31.823 0.132 0.000 0.983 252 V HN 0.609 nan 8.190 nan 0.000 0.459 253 V N 5.108 125.084 119.914 0.104 0.000 2.448 253 V HA 0.529 4.649 4.120 0.001 0.000 0.295 253 V C 0.269 176.326 176.094 -0.062 0.000 1.025 253 V CA -0.468 61.872 62.300 0.066 0.000 0.859 253 V CB 1.481 33.391 31.823 0.146 0.000 0.988 253 V HN 1.055 nan 8.190 nan 0.000 0.431 254 E N 0.971 121.050 120.200 -0.201 0.000 3.586 254 E HA 0.248 4.598 4.350 0.001 0.000 0.175 254 E C -1.106 175.159 176.600 -0.557 0.000 0.980 254 E CA -0.647 55.393 56.400 -0.600 0.000 1.391 254 E CB 0.342 29.611 29.700 -0.718 0.000 1.101 254 E HN 0.702 nan 8.360 nan 0.000 0.440 255 D N 2.361 122.584 120.400 -0.295 0.000 2.339 255 D HA -0.031 4.610 4.640 0.001 0.000 0.245 255 D C 1.154 177.301 176.300 -0.256 0.000 1.115 255 D CA -0.179 53.697 54.000 -0.205 0.000 0.917 255 D CB 0.990 41.721 40.800 -0.116 0.000 1.192 255 D HN 0.128 nan 8.370 nan 0.000 0.428 256 D N 0.770 121.077 120.400 -0.155 0.000 2.103 256 D HA -0.256 4.385 4.640 0.001 0.000 0.190 256 D C 0.403 176.591 176.300 -0.186 0.000 0.997 256 D CA 0.990 54.922 54.000 -0.113 0.000 0.833 256 D CB -0.318 40.479 40.800 -0.005 0.000 0.961 256 D HN 0.372 nan 8.370 nan 0.000 0.447 257 D N 0.947 121.266 120.400 -0.135 0.000 2.435 257 D HA 0.403 5.044 4.640 0.001 0.000 0.230 257 D C 0.327 176.474 176.300 -0.254 0.000 1.215 257 D CA 0.435 54.347 54.000 -0.147 0.000 0.947 257 D CB 0.213 41.016 40.800 0.004 0.000 1.048 257 D HN 0.450 nan 8.370 nan 0.000 0.512 258 G N 3.417 111.833 108.800 -0.639 0.000 2.369 258 G HA2 0.000 3.961 3.960 0.001 0.000 0.307 258 G HA3 0.000 3.961 3.960 0.001 0.000 0.307 258 G C -3.146 171.534 174.900 -0.366 0.000 1.327 258 G CA -1.086 43.794 45.100 -0.366 0.000 0.963 258 G HN 0.231 nan 8.290 nan 0.000 0.590 259 P HA 0.316 nan 4.420 nan 0.000 0.269 259 P C -0.748 176.460 177.300 -0.154 0.000 1.209 259 P CA -0.041 62.936 63.100 -0.204 0.000 0.776 259 P CB 0.521 31.954 31.700 -0.445 0.000 0.876 260 K N 2.338 122.645 120.400 -0.155 0.000 2.316 260 K HA 0.716 5.037 4.320 0.001 0.000 0.267 260 K C 0.373 176.953 176.600 -0.033 0.000 1.025 260 K CA -0.280 55.905 56.287 -0.170 0.000 0.896 260 K CB 1.509 33.873 32.500 -0.226 0.000 1.124 260 K HN 0.775 nan 8.250 nan 0.000 0.451 261 G N 1.536 110.384 108.800 0.079 0.000 2.435 261 G HA2 0.486 4.447 3.960 0.001 0.000 0.296 261 G HA3 0.486 4.447 3.960 0.001 0.000 0.296 261 G C -1.401 173.642 174.900 0.238 0.000 1.240 261 G CA -0.758 44.433 45.100 0.151 0.000 0.872 261 G HN 0.448 nan 8.290 nan 0.000 0.480 262 M N -1.588 118.119 119.600 0.179 0.000 2.550 262 M HA 0.908 5.389 4.480 0.001 0.000 0.292 262 M C -1.332 174.947 176.300 -0.035 0.000 1.221 262 M CA -1.092 54.256 55.300 0.079 0.000 0.873 262 M CB 2.543 35.165 32.600 0.037 0.000 1.727 262 M HN 0.628 nan 8.290 nan 0.000 0.459 263 M N 2.451 121.902 119.600 -0.248 0.000 2.253 263 M HA 0.441 4.922 4.480 0.001 0.000 0.314 263 M C -1.689 174.309 176.300 -0.503 0.000 1.019 263 M CA 0.000 54.992 55.300 -0.515 0.000 0.932 263 M CB 2.382 34.306 32.600 -1.127 0.000 1.606 263 M HN 0.764 nan 8.290 nan 0.000 0.430 264 Q N 3.833 123.430 119.800 -0.339 0.000 2.278 264 Q HA 0.242 4.582 4.340 0.001 0.000 0.257 264 Q C -1.147 174.786 176.000 -0.113 0.000 0.928 264 Q CA -0.037 55.680 55.803 -0.143 0.000 0.932 264 Q CB 0.933 29.582 28.738 -0.148 0.000 1.221 264 Q HN 0.821 nan 8.270 nan 0.000 0.434 265 W N 4.183 125.704 121.300 0.367 0.000 1.303 265 W HA 0.165 4.826 4.660 0.001 0.000 0.478 265 W C -0.198 176.558 176.519 0.395 0.000 0.604 265 W CA -0.486 57.073 57.345 0.356 0.000 2.319 265 W CB -0.226 29.429 29.460 0.325 0.000 1.443 265 W HN 0.354 nan 8.180 nan 0.000 0.249 266 L N 1.348 122.782 121.223 0.351 0.000 2.467 266 L HA 0.115 4.456 4.340 0.001 0.000 0.270 266 L C 0.636 177.789 176.870 0.472 0.000 1.205 266 L CA -0.562 54.397 54.840 0.198 0.000 0.828 266 L CB -0.056 42.002 42.059 -0.002 0.000 1.101 266 L HN 0.235 nan 8.230 nan 0.000 0.479 267 F N -0.340 119.716 119.950 0.178 0.000 3.074 267 F HA -0.234 4.294 4.527 0.001 0.000 0.287 267 F C 0.561 176.468 175.800 0.179 0.000 0.932 267 F CA 0.940 59.054 58.000 0.192 0.000 0.995 267 F CB -2.052 37.106 39.000 0.264 0.000 0.966 267 F HN 0.750 nan 8.300 nan 0.000 0.721 268 T N -4.441 110.273 114.554 0.266 0.000 2.787 268 T HA 0.419 4.770 4.350 0.001 0.000 0.297 268 T C 0.575 175.356 174.700 0.135 0.000 1.221 268 T CA -0.313 61.897 62.100 0.183 0.000 1.006 268 T CB 1.984 70.970 68.868 0.198 0.000 1.328 268 T HN 0.101 nan 8.240 nan 0.000 0.509 269 D N -0.273 120.167 120.400 0.066 0.000 2.363 269 D HA -0.015 4.625 4.640 0.001 0.000 0.226 269 D C 1.088 177.401 176.300 0.022 0.000 1.020 269 D CA 0.092 54.115 54.000 0.039 0.000 0.892 269 D CB 0.037 40.841 40.800 0.006 0.000 0.900 269 D HN 0.593 nan 8.370 nan 0.000 0.531 270 K N -0.580 119.850 120.400 0.050 0.000 2.365 270 K HA -0.024 4.297 4.320 0.001 0.000 0.199 270 K C -0.140 176.331 176.600 -0.214 0.000 1.045 270 K CA 0.566 56.822 56.287 -0.052 0.000 0.962 270 K CB 0.109 32.635 32.500 0.043 0.000 0.759 270 K HN 0.183 nan 8.250 nan 0.000 0.469 271 W N 0.740 122.070 121.300 0.051 0.000 2.543 271 W HA 0.404 5.064 4.660 0.001 0.000 0.318 271 W C -0.989 175.502 176.519 -0.048 0.000 1.002 271 W CA -0.750 56.601 57.345 0.010 0.000 1.302 271 W CB 1.324 30.786 29.460 0.003 0.000 1.299 271 W HN -0.149 nan 8.180 nan 0.000 0.424 272 A N 5.916 128.824 122.820 0.146 0.000 2.301 272 A HA 0.742 5.062 4.320 0.001 0.000 0.312 272 A C -2.328 175.295 177.584 0.065 0.000 1.182 272 A CA -1.624 50.454 52.037 0.068 0.000 0.826 272 A CB 0.427 19.446 19.000 0.032 0.000 1.134 272 A HN 0.309 nan 8.150 nan 0.000 0.501 273 P HA 0.260 nan 4.420 nan 0.000 0.280 273 P C -0.538 176.776 177.300 0.023 0.000 1.244 273 P CA -0.034 63.066 63.100 0.001 0.000 0.784 273 P CB 1.169 32.844 31.700 -0.042 0.000 0.913 274 V N 4.675 124.608 119.914 0.033 0.000 2.509 274 V HA 0.073 4.194 4.120 0.001 0.000 0.284 274 V C 1.415 177.527 176.094 0.030 0.000 1.047 274 V CA 0.019 62.339 62.300 0.033 0.000 0.952 274 V CB 0.955 32.801 31.823 0.039 0.000 0.988 274 V HN 0.435 nan 8.190 nan 0.000 0.469 275 L N 3.177 124.417 121.223 0.028 0.000 2.609 275 L HA 0.344 4.685 4.340 0.001 0.000 0.230 275 L C 0.838 177.726 176.870 0.029 0.000 1.064 275 L CA 0.672 55.530 54.840 0.030 0.000 0.873 275 L CB 0.024 42.100 42.059 0.029 0.000 1.139 275 L HN 0.874 nan 8.230 nan 0.000 0.490 276 E N -1.274 118.941 120.200 0.026 0.000 2.429 276 E HA 0.504 4.855 4.350 0.001 0.000 0.276 276 E C -1.189 175.424 176.600 0.021 0.000 0.953 276 E CA -0.896 55.518 56.400 0.024 0.000 0.787 276 E CB 1.872 31.585 29.700 0.022 0.000 1.307 276 E HN -0.066 nan 8.360 nan 0.000 0.458 277 N N 0.198 118.910 118.700 0.019 0.000 2.558 277 N HA 0.075 4.816 4.740 0.001 0.000 0.285 277 N C -0.057 175.462 175.510 0.015 0.000 1.112 277 N CA -0.123 52.937 53.050 0.017 0.000 0.857 277 N CB 1.514 40.011 38.487 0.016 0.000 1.376 277 N HN 0.502 nan 8.380 nan 0.000 0.526 278 Q N 0.460 120.268 119.800 0.013 0.000 2.167 278 Q HA -0.155 4.185 4.340 0.001 0.000 0.202 278 Q C 0.725 176.731 176.000 0.010 0.000 0.970 278 Q CA 1.073 56.883 55.803 0.011 0.000 0.855 278 Q CB 0.172 28.916 28.738 0.011 0.000 0.911 278 Q HN 0.655 nan 8.270 nan 0.000 0.438 279 E N 1.157 121.363 120.200 0.009 0.000 1.964 279 E HA -0.176 4.175 4.350 0.001 0.000 0.203 279 E C 1.665 178.270 176.600 0.007 0.000 0.952 279 E CA 0.828 57.233 56.400 0.007 0.000 0.892 279 E CB -0.417 29.287 29.700 0.007 0.000 0.831 279 E HN 0.054 nan 8.360 nan 0.000 0.548 280 L N -0.256 120.972 121.223 0.007 0.000 2.151 280 L HA -0.181 4.160 4.340 0.001 0.000 0.219 280 L C 1.923 178.799 176.870 0.009 0.000 1.083 280 L CA 2.395 57.239 54.840 0.007 0.000 0.782 280 L CB -1.162 40.902 42.059 0.008 0.000 0.891 280 L HN 0.706 nan 8.230 nan 0.000 0.439 281 G N -2.174 106.633 108.800 0.011 0.000 2.135 281 G HA2 -0.206 3.754 3.960 0.001 0.000 0.183 281 G HA3 -0.206 3.754 3.960 0.001 0.000 0.183 281 G C 0.102 175.011 174.900 0.015 0.000 1.004 281 G CA -0.067 45.040 45.100 0.012 0.000 0.677 281 G HN 0.242 nan 8.290 nan 0.000 0.512 282 L N 0.519 121.753 121.223 0.017 0.000 2.379 282 L HA 0.818 5.159 4.340 0.001 0.000 0.269 282 L C 0.380 177.264 176.870 0.023 0.000 1.084 282 L CA -0.682 54.171 54.840 0.021 0.000 0.802 282 L CB 1.526 43.598 42.059 0.023 0.000 1.175 282 L HN 0.306 nan 8.230 nan 0.000 0.448 283 K N 1.827 122.244 120.400 0.027 0.000 2.584 283 K HA 0.303 4.624 4.320 0.001 0.000 0.260 283 K C -2.130 174.490 176.600 0.034 0.000 0.949 283 K CA -0.514 55.790 56.287 0.029 0.000 0.888 283 K CB 0.818 33.333 32.500 0.025 0.000 1.330 283 K HN 0.295 nan 8.250 nan 0.000 0.432 284 V N 3.299 123.235 119.914 0.037 0.000 2.539 284 V HA 0.350 4.471 4.120 0.001 0.000 0.292 284 V C 0.965 177.084 176.094 0.042 0.000 1.045 284 V CA -0.018 62.308 62.300 0.044 0.000 0.945 284 V CB 1.355 33.207 31.823 0.048 0.000 0.993 284 V HN 0.942 nan 8.190 nan 0.000 0.464 285 E N 2.506 122.733 120.200 0.045 0.000 2.759 285 E HA 0.327 4.678 4.350 0.001 0.000 0.220 285 E C 0.373 177.002 176.600 0.048 0.000 0.974 285 E CA -0.158 56.267 56.400 0.042 0.000 1.148 285 E CB 0.967 30.690 29.700 0.038 0.000 1.059 285 E HN 0.673 nan 8.360 nan 0.000 0.493 286 G N 2.113 110.947 108.800 0.056 0.000 2.814 286 G HA2 0.403 4.364 3.960 0.001 0.000 0.300 286 G HA3 0.403 4.364 3.960 0.001 0.000 0.300 286 G C 0.215 175.155 174.900 0.067 0.000 1.406 286 G CA -0.907 44.230 45.100 0.063 0.000 1.041 286 G HN 0.279 nan 8.290 nan 0.000 0.532 287 L N 0.041 121.301 121.223 0.062 0.000 2.855 287 L HA 0.438 4.779 4.340 0.001 0.000 0.245 287 L C 0.464 177.369 176.870 0.058 0.000 1.276 287 L CA -0.480 54.395 54.840 0.058 0.000 1.118 287 L CB -0.416 41.676 42.059 0.055 0.000 1.444 287 L HN 0.096 nan 8.230 nan 0.000 0.440 288 K N 1.782 122.231 120.400 0.081 0.000 2.339 288 K HA 0.626 4.946 4.320 0.001 0.000 0.286 288 K C 0.332 176.956 176.600 0.040 0.000 1.050 288 K CA 0.257 56.608 56.287 0.105 0.000 0.956 288 K CB 1.526 34.138 32.500 0.187 0.000 0.990 288 K HN 0.567 nan 8.250 nan 0.000 0.475 289 G N 2.006 110.731 108.800 -0.126 0.000 2.490 289 G HA2 0.273 4.234 3.960 0.001 0.000 0.308 289 G HA3 0.273 4.234 3.960 0.001 0.000 0.308 289 G C -1.368 173.156 174.900 -0.627 0.000 1.286 289 G CA -0.689 44.096 45.100 -0.526 0.000 0.825 289 G HN 0.307 nan 8.290 nan 0.000 0.479 290 R N -0.107 119.987 120.500 -0.678 0.000 2.720 290 R HA 0.487 4.828 4.340 0.001 0.000 0.272 290 R C -1.044 175.062 176.300 -0.325 0.000 0.991 290 R CA -0.674 55.147 56.100 -0.466 0.000 1.010 290 R CB 1.219 31.240 30.300 -0.465 0.000 1.141 290 R HN 0.605 nan 8.270 nan 0.000 0.494 291 H N 2.749 121.614 119.070 -0.342 0.000 2.488 291 H HA 0.316 4.873 4.556 0.001 0.000 0.322 291 H C -0.583 174.245 175.328 -0.834 0.000 1.078 291 H CA -0.168 55.310 56.048 -0.950 0.000 1.260 291 H CB 1.004 30.465 29.762 -0.501 0.000 1.425 291 H HN 0.553 nan 8.280 nan 0.000 0.471 292 Y N 0.237 119.951 120.300 -0.977 0.000 2.689 292 Y HA 0.609 5.160 4.550 0.001 0.000 0.333 292 Y C -1.284 174.276 175.900 -0.566 0.000 1.208 292 Y CA -1.336 56.286 58.100 -0.797 0.000 1.055 292 Y CB 1.735 40.029 38.460 -0.276 0.000 1.304 292 Y HN 0.474 nan 8.280 nan 0.000 0.455 293 R N 1.083 121.348 120.500 -0.393 0.000 2.548 293 R HA 0.619 4.960 4.340 0.001 0.000 0.280 293 R C -1.650 174.610 176.300 -0.067 0.000 1.061 293 R CA -0.435 55.581 56.100 -0.141 0.000 0.915 293 R CB 2.046 32.371 30.300 0.043 0.000 1.210 293 R HN 1.060 nan 8.270 nan 0.000 0.442 294 T N 0.133 114.661 114.554 -0.042 0.000 2.895 294 T HA 0.734 5.084 4.350 0.001 0.000 0.283 294 T C -0.353 174.286 174.700 -0.101 0.000 1.014 294 T CA -0.632 61.434 62.100 -0.056 0.000 1.037 294 T CB 1.661 70.525 68.868 -0.006 0.000 1.006 294 T HN 0.588 nan 8.240 nan 0.000 0.468 295 S N 0.410 116.043 115.700 -0.111 0.000 2.570 295 S HA 0.774 5.245 4.470 0.001 0.000 0.270 295 S C -1.331 173.133 174.600 -0.227 0.000 1.149 295 S CA -0.887 57.223 58.200 -0.150 0.000 0.837 295 S CB 1.722 64.893 63.200 -0.050 0.000 1.124 295 S HN 1.255 nan 8.310 nan 0.000 0.465 296 V N 1.427 121.144 119.914 -0.328 0.000 2.808 296 V HA 0.852 4.972 4.120 0.001 0.000 0.308 296 V C -1.036 174.884 176.094 -0.290 0.000 1.099 296 V CA -0.189 61.841 62.300 -0.449 0.000 0.920 296 V CB 1.673 32.910 31.823 -0.976 0.000 1.014 296 V HN 1.619 nan 8.190 nan 0.000 0.425 297 V N 4.255 124.019 119.914 -0.249 0.000 3.040 297 V HA 0.695 4.815 4.120 0.001 0.000 0.312 297 V C -0.350 175.803 176.094 0.098 0.000 1.115 297 V CA -1.089 61.143 62.300 -0.113 0.000 0.998 297 V CB 1.879 33.482 31.823 -0.365 0.000 1.042 297 V HN 0.856 nan 8.190 nan 0.000 0.433 298 L N 3.496 124.851 121.223 0.220 0.000 2.483 298 L HA 0.310 4.650 4.340 0.001 0.000 0.275 298 L C -1.158 175.761 176.870 0.082 0.000 1.220 298 L CA -0.988 53.989 54.840 0.229 0.000 0.833 298 L CB 1.102 43.222 42.059 0.101 0.000 1.102 298 L HN 0.615 nan 8.230 nan 0.000 0.490 299 P HA 0.058 nan 4.420 nan 0.000 0.249 299 P C 0.345 177.890 177.300 0.408 0.000 1.241 299 P CA 0.601 63.675 63.100 -0.044 0.000 0.781 299 P CB 0.470 31.923 31.700 -0.413 0.000 1.088 300 G N -0.885 108.141 108.800 0.375 0.000 2.511 300 G HA2 0.020 3.981 3.960 0.001 0.000 0.230 300 G HA3 0.020 3.981 3.960 0.001 0.000 0.230 300 G C -0.849 174.128 174.900 0.129 0.000 1.264 300 G CA -0.712 44.588 45.100 0.334 0.000 0.866 300 G HN 0.078 nan 8.290 nan 0.000 0.523 301 V N 1.034 120.874 119.914 -0.124 0.000 2.384 301 V HA 0.750 4.871 4.120 0.001 0.000 0.287 301 V C 0.373 176.286 176.094 -0.301 0.000 1.020 301 V CA -1.018 61.046 62.300 -0.392 0.000 0.850 301 V CB 1.666 33.136 31.823 -0.588 0.000 0.987 301 V HN 0.593 nan 8.190 nan 0.000 0.436 302 L N 5.461 126.558 121.223 -0.210 0.000 2.325 302 L HA 0.757 5.098 4.340 0.001 0.000 0.279 302 L C -0.354 176.465 176.870 -0.085 0.000 1.054 302 L CA -0.096 54.689 54.840 -0.091 0.000 0.804 302 L CB 1.371 43.483 42.059 0.087 0.000 1.200 302 L HN 0.835 nan 8.230 nan 0.000 0.436 303 M N 5.356 124.914 119.600 -0.071 0.000 2.263 303 M HA 0.569 5.049 4.480 0.001 0.000 0.295 303 M C -1.907 174.296 176.300 -0.162 0.000 1.028 303 M CA -0.621 54.619 55.300 -0.100 0.000 0.921 303 M CB 1.767 34.402 32.600 0.060 0.000 1.601 303 M HN 0.340 nan 8.290 nan 0.000 0.440 304 V N 4.417 124.178 119.914 -0.255 0.000 2.304 304 V HA 0.347 4.468 4.120 0.001 0.000 0.278 304 V C -0.304 175.647 176.094 -0.239 0.000 1.018 304 V CA -0.660 61.505 62.300 -0.224 0.000 0.814 304 V CB 0.960 32.593 31.823 -0.317 0.000 1.021 304 V HN 0.884 nan 8.190 nan 0.000 0.440 305 E N 3.091 123.124 120.200 -0.279 0.000 2.398 305 E HA 0.142 4.493 4.350 0.001 0.000 0.263 305 E C 0.633 176.914 176.600 -0.531 0.000 1.046 305 E CA -0.034 56.119 56.400 -0.412 0.000 0.908 305 E CB 0.149 29.554 29.700 -0.491 0.000 0.963 305 E HN 0.697 nan 8.360 nan 0.000 0.431 306 N N 1.493 119.906 118.700 -0.479 0.000 2.740 306 N HA -0.176 4.565 4.740 0.001 0.000 0.248 306 N C -1.916 173.467 175.510 -0.212 0.000 1.062 306 N CA 0.621 53.419 53.050 -0.421 0.000 0.704 306 N CB -0.423 37.606 38.487 -0.763 0.000 0.968 306 N HN 0.552 nan 8.380 nan 0.000 0.547 307 W N 0.355 121.445 121.300 -0.349 0.000 2.957 307 W HA 0.428 5.089 4.660 0.001 0.000 0.336 307 W C -2.404 173.929 176.519 -0.310 0.000 1.087 307 W CA -1.695 55.454 57.345 -0.325 0.000 1.235 307 W CB 1.668 30.911 29.460 -0.363 0.000 1.399 307 W HN -0.061 nan 8.180 nan 0.000 0.480 308 P HA 0.044 nan 4.420 nan 0.000 0.245 308 P C -0.358 176.559 177.300 -0.638 0.000 1.206 308 P CA 1.153 63.481 63.100 -1.287 0.000 0.781 308 P CB 1.280 32.346 31.700 -1.056 0.000 0.994 309 E N -0.537 119.449 120.200 -0.358 0.000 2.446 309 E HA 0.276 4.627 4.350 0.001 0.000 0.276 309 E C -0.700 175.812 176.600 -0.147 0.000 0.969 309 E CA -0.985 55.314 56.400 -0.168 0.000 0.800 309 E CB 1.342 31.040 29.700 -0.003 0.000 1.341 309 E HN -0.026 nan 8.360 nan 0.000 0.460 310 E N 0.430 120.551 120.200 -0.133 0.000 2.442 310 E HA -0.018 4.333 4.350 0.001 0.000 0.262 310 E C -0.487 175.983 176.600 -0.216 0.000 1.004 310 E CA 0.818 57.069 56.400 -0.248 0.000 0.928 310 E CB 0.079 29.565 29.700 -0.356 0.000 0.937 310 E HN 0.603 nan 8.360 nan 0.000 0.446 311 H N -1.914 117.143 119.070 -0.020 0.000 3.882 311 H HA -0.176 4.381 4.556 0.001 0.000 0.165 311 H C -0.523 174.751 175.328 -0.091 0.000 0.896 311 H CA 0.506 56.532 56.048 -0.037 0.000 1.243 311 H CB -1.035 28.712 29.762 -0.026 0.000 0.958 311 H HN 0.162 nan 8.280 nan 0.000 0.400 312 V N 0.889 120.784 119.914 -0.032 0.000 2.667 312 V HA 0.631 4.752 4.120 0.001 0.000 0.308 312 V C -0.081 175.937 176.094 -0.127 0.000 1.048 312 V CA -0.327 61.918 62.300 -0.091 0.000 0.928 312 V CB 2.096 33.844 31.823 -0.124 0.000 1.004 312 V HN 0.075 nan 8.190 nan 0.000 0.444 313 V N 3.815 123.654 119.914 -0.126 0.000 2.841 313 V HA 0.575 4.696 4.120 0.001 0.000 0.310 313 V C -0.841 175.093 176.094 -0.267 0.000 1.090 313 V CA -0.372 61.785 62.300 -0.238 0.000 0.930 313 V CB 2.070 33.690 31.823 -0.338 0.000 1.014 313 V HN 1.030 nan 8.190 nan 0.000 0.425 314 Q N 4.005 123.631 119.800 -0.289 0.000 2.293 314 Q HA 0.567 4.908 4.340 0.001 0.000 0.261 314 Q C -2.072 173.704 176.000 -0.373 0.000 0.960 314 Q CA -0.512 55.185 55.803 -0.176 0.000 0.882 314 Q CB 1.798 30.552 28.738 0.026 0.000 1.275 314 Q HN 0.787 nan 8.270 nan 0.000 0.445 315 Y N 1.405 121.714 120.300 0.015 0.000 2.446 315 Y HA 0.446 4.996 4.550 0.001 0.000 0.345 315 Y C -0.416 175.391 175.900 -0.156 0.000 0.984 315 Y CA -0.827 57.180 58.100 -0.155 0.000 1.058 315 Y CB 2.296 40.640 38.460 -0.194 0.000 1.220 315 Y HN 0.553 nan 8.280 nan 0.000 0.455 316 E N 2.477 122.567 120.200 -0.183 0.000 2.314 316 E HA 0.325 4.676 4.350 0.001 0.000 0.272 316 E C -1.548 174.770 176.600 -0.469 0.000 0.884 316 E CA -0.879 55.409 56.400 -0.186 0.000 0.753 316 E CB 2.527 32.195 29.700 -0.054 0.000 1.213 316 E HN 0.476 nan 8.360 nan 0.000 0.432 317 W N 1.277 122.358 121.300 -0.365 0.000 2.864 317 W HA 0.365 5.025 4.660 0.001 0.000 0.343 317 W C -0.944 175.285 176.519 -0.483 0.000 1.109 317 W CA -0.640 56.530 57.345 -0.291 0.000 1.192 317 W CB 1.625 30.950 29.460 -0.225 0.000 1.426 317 W HN 0.611 nan 8.180 nan 0.000 0.529 318 Y N 0.803 121.410 120.300 0.512 0.000 2.584 318 Y HA 0.254 4.804 4.550 0.001 0.000 0.358 318 Y C 0.235 176.352 175.900 0.362 0.000 1.028 318 Y CA -0.735 57.643 58.100 0.464 0.000 1.148 318 Y CB 0.093 38.746 38.460 0.321 0.000 1.126 318 Y HN -0.146 nan 8.280 nan 0.000 0.658 319 V N 4.854 124.973 119.914 0.342 0.000 2.485 319 V HA 0.110 4.230 4.120 0.001 0.000 0.287 319 V C -1.913 174.146 176.094 -0.058 0.000 1.022 319 V CA -1.579 60.736 62.300 0.025 0.000 1.067 319 V CB 0.345 32.113 31.823 -0.091 0.000 0.967 319 V HN 0.327 nan 8.190 nan 0.000 0.479 320 P HA 0.281 nan 4.420 nan 0.000 0.276 320 P C 0.439 177.649 177.300 -0.150 0.000 1.230 320 P CA 0.051 63.030 63.100 -0.202 0.000 0.776 320 P CB 1.533 32.936 31.700 -0.495 0.000 0.888 321 I N 1.085 121.636 120.570 -0.032 0.000 3.132 321 I HA 0.047 4.217 4.170 0.001 0.000 0.255 321 I C 1.478 177.618 176.117 0.038 0.000 1.118 321 I CA 0.956 62.268 61.300 0.019 0.000 1.463 321 I CB -0.051 37.981 38.000 0.052 0.000 1.356 321 I HN 0.416 nan 8.210 nan 0.000 0.463 322 T N -2.683 111.828 114.554 -0.071 0.000 2.645 322 T HA 0.172 4.522 4.350 0.001 0.000 0.273 322 T C 0.186 174.489 174.700 -0.661 0.000 0.960 322 T CA -0.263 61.634 62.100 -0.339 0.000 1.051 322 T CB 1.094 69.800 68.868 -0.270 0.000 1.366 322 T HN 0.209 nan 8.240 nan 0.000 0.536 323 D N -0.132 119.478 120.400 -1.317 0.000 2.349 323 D HA 0.026 4.667 4.640 0.001 0.000 0.224 323 D C 0.598 176.753 176.300 -0.242 0.000 1.029 323 D CA 0.507 53.991 54.000 -0.860 0.000 0.879 323 D CB -0.230 39.870 40.800 -1.166 0.000 0.906 323 D HN 0.731 nan 8.370 nan 0.000 0.528 324 D N -0.375 119.893 120.400 -0.221 0.000 2.582 324 D HA 0.041 4.682 4.640 0.001 0.000 0.246 324 D C -0.244 176.031 176.300 -0.041 0.000 1.334 324 D CA -0.276 53.658 54.000 -0.111 0.000 0.805 324 D CB -0.173 40.436 40.800 -0.318 0.000 1.087 324 D HN 0.106 nan 8.370 nan 0.000 0.499 325 T N -2.302 112.238 114.554 -0.023 0.000 2.868 325 T HA 0.628 4.978 4.350 0.001 0.000 0.306 325 T C -0.797 173.936 174.700 0.055 0.000 1.224 325 T CA -0.821 61.255 62.100 -0.039 0.000 1.012 325 T CB 2.512 71.318 68.868 -0.103 0.000 1.221 325 T HN 0.340 nan 8.240 nan 0.000 0.499 326 H N -0.126 118.901 119.070 -0.071 0.000 3.037 326 H HA 0.668 5.224 4.556 0.001 0.000 0.355 326 H C -1.705 173.575 175.328 -0.080 0.000 1.263 326 H CA -0.719 55.322 56.048 -0.011 0.000 1.129 326 H CB 1.871 31.728 29.762 0.158 0.000 1.861 326 H HN 0.665 nan 8.280 nan 0.000 0.546 327 E N 1.655 121.817 120.200 -0.064 0.000 2.081 327 E HA 0.180 4.531 4.350 0.001 0.000 0.276 327 E C -1.585 175.103 176.600 0.147 0.000 0.950 327 E CA -0.698 55.568 56.400 -0.224 0.000 0.776 327 E CB 0.224 29.526 29.700 -0.663 0.000 1.094 327 E HN 0.428 nan 8.360 nan 0.000 0.402 328 Y N 4.946 125.236 120.300 -0.015 0.000 2.393 328 Y HA 0.401 4.952 4.550 0.001 0.000 0.338 328 Y C -1.302 174.632 175.900 0.057 0.000 1.029 328 Y CA -0.805 57.370 58.100 0.124 0.000 1.239 328 Y CB 0.316 38.837 38.460 0.102 0.000 1.170 328 Y HN 0.482 nan 8.280 nan 0.000 0.515 329 W N 5.371 126.386 121.300 -0.474 0.000 2.551 329 W HA 0.537 5.198 4.660 0.001 0.000 0.330 329 W C -0.651 175.539 176.519 -0.548 0.000 1.063 329 W CA -0.867 56.268 57.345 -0.351 0.000 1.222 329 W CB 1.409 30.836 29.460 -0.056 0.000 1.349 329 W HN 0.508 nan 8.180 nan 0.000 0.536 330 E N 4.479 124.613 120.200 -0.111 0.000 2.361 330 E HA 0.416 4.767 4.350 0.001 0.000 0.270 330 E C -1.271 175.454 176.600 0.209 0.000 0.911 330 E CA -0.370 55.997 56.400 -0.055 0.000 0.818 330 E CB 0.809 30.378 29.700 -0.218 0.000 1.332 330 E HN 0.570 nan 8.360 nan 0.000 0.402 331 I N 1.025 121.787 120.570 0.320 0.000 2.934 331 I HA 0.599 4.770 4.170 0.001 0.000 0.306 331 I C -1.500 174.792 176.117 0.292 0.000 1.110 331 I CA -1.244 60.270 61.300 0.357 0.000 1.019 331 I CB 1.945 40.251 38.000 0.510 0.000 1.227 331 I HN 0.346 nan 8.210 nan 0.000 0.434 332 L N 4.742 126.126 121.223 0.267 0.000 2.341 332 L HA 0.694 5.035 4.340 0.001 0.000 0.278 332 L C -0.770 176.333 176.870 0.388 0.000 1.005 332 L CA -1.001 53.992 54.840 0.256 0.000 0.818 332 L CB 2.025 44.224 42.059 0.234 0.000 1.259 332 L HN 0.426 nan 8.230 nan 0.000 0.418 333 V N 3.255 123.345 119.914 0.293 0.000 2.628 333 V HA 0.654 4.775 4.120 0.001 0.000 0.306 333 V C -0.367 175.738 176.094 0.017 0.000 1.045 333 V CA -0.709 61.748 62.300 0.262 0.000 0.905 333 V CB 2.215 34.234 31.823 0.327 0.000 0.997 333 V HN 0.784 nan 8.190 nan 0.000 0.436 334 R N 2.221 122.595 120.500 -0.209 0.000 2.566 334 R HA 0.618 4.959 4.340 0.001 0.000 0.271 334 R C -2.003 174.127 176.300 -0.283 0.000 1.071 334 R CA -0.518 55.314 56.100 -0.447 0.000 0.915 334 R CB 2.230 31.824 30.300 -1.177 0.000 1.228 334 R HN 0.512 nan 8.270 nan 0.000 0.449 335 V N 3.732 123.554 119.914 -0.153 0.000 2.488 335 V HA 0.231 4.352 4.120 0.001 0.000 0.277 335 V C -0.314 175.723 176.094 -0.095 0.000 1.046 335 V CA -0.185 62.068 62.300 -0.078 0.000 0.986 335 V CB 1.014 32.816 31.823 -0.035 0.000 0.989 335 V HN 0.738 nan 8.190 nan 0.000 0.475 336 C N 8.058 127.334 119.300 -0.039 0.000 2.521 336 C HA 0.349 4.809 4.460 0.001 0.000 0.291 336 C C -0.624 174.376 174.990 0.017 0.000 1.074 336 C CA -0.875 58.141 59.018 -0.003 0.000 1.495 336 C CB 1.038 28.815 27.740 0.062 0.000 1.862 336 C HN 0.727 nan 8.230 nan 0.000 0.418 337 P HA -0.059 nan 4.420 nan 0.000 0.219 337 P C 0.629 177.941 177.300 0.021 0.000 1.150 337 P CA 1.538 64.644 63.100 0.011 0.000 0.814 337 P CB 0.125 31.824 31.700 -0.000 0.000 0.787 338 T N -4.081 110.488 114.554 0.025 0.000 2.950 338 T HA 0.288 4.638 4.350 0.001 0.000 0.288 338 T C 0.840 175.567 174.700 0.046 0.000 1.035 338 T CA -0.619 61.499 62.100 0.031 0.000 1.028 338 T CB 1.701 70.584 68.868 0.024 0.000 1.109 338 T HN -0.266 nan 8.240 nan 0.000 0.514 339 D N 0.095 120.521 120.400 0.044 0.000 2.182 339 D HA -0.165 4.476 4.640 0.001 0.000 0.201 339 D C 1.700 178.036 176.300 0.060 0.000 0.986 339 D CA 1.488 55.519 54.000 0.052 0.000 0.847 339 D CB -0.010 40.815 40.800 0.041 0.000 0.942 339 D HN 0.855 nan 8.370 nan 0.000 0.467 340 E N 0.060 120.289 120.200 0.048 0.000 2.107 340 E HA -0.124 4.227 4.350 0.001 0.000 0.191 340 E C 1.570 178.211 176.600 0.070 0.000 0.982 340 E CA 1.238 57.667 56.400 0.048 0.000 0.809 340 E CB -0.011 29.707 29.700 0.030 0.000 0.756 340 E HN 0.154 nan 8.360 nan 0.000 0.459 341 D N 0.342 120.784 120.400 0.071 0.000 2.144 341 D HA -0.132 4.509 4.640 0.001 0.000 0.199 341 D C 1.964 178.360 176.300 0.161 0.000 0.984 341 D CA 0.861 54.915 54.000 0.090 0.000 0.834 341 D CB -0.132 40.700 40.800 0.053 0.000 0.955 341 D HN 0.243 nan 8.370 nan 0.000 0.465 342 R N 0.837 121.433 120.500 0.161 0.000 2.081 342 R HA -0.064 4.277 4.340 0.001 0.000 0.235 342 R C 2.280 178.729 176.300 0.249 0.000 1.131 342 R CA 0.912 57.152 56.100 0.234 0.000 0.960 342 R CB -0.071 30.332 30.300 0.172 0.000 0.856 342 R HN 0.202 nan 8.270 nan 0.000 0.436 343 K N 0.469 120.970 120.400 0.168 0.000 2.097 343 K HA -0.088 4.233 4.320 0.001 0.000 0.206 343 K C 2.052 178.760 176.600 0.180 0.000 1.049 343 K CA 0.903 57.278 56.287 0.146 0.000 0.933 343 K CB 0.035 32.589 32.500 0.089 0.000 0.717 343 K HN 0.019 nan 8.250 nan 0.000 0.442 344 K N 0.477 120.985 120.400 0.181 0.000 2.057 344 K HA -0.115 4.205 4.320 0.001 0.000 0.206 344 K C 2.011 178.801 176.600 0.316 0.000 1.050 344 K CA 1.039 57.444 56.287 0.198 0.000 0.935 344 K CB -0.387 32.206 32.500 0.154 0.000 0.715 344 K HN 0.102 nan 8.250 nan 0.000 0.439 345 F N 2.627 122.680 119.950 0.172 0.000 2.146 345 F HA -0.174 4.353 4.527 0.001 0.000 0.298 345 F C 2.562 178.475 175.800 0.188 0.000 1.096 345 F CA 1.458 59.595 58.000 0.229 0.000 1.275 345 F CB -0.521 38.640 39.000 0.268 0.000 1.008 345 F HN 0.039 nan 8.300 nan 0.000 0.480 346 Q N -0.633 119.221 119.800 0.090 0.000 2.084 346 Q HA -0.268 4.073 4.340 0.001 0.000 0.202 346 Q C 2.170 178.095 176.000 -0.126 0.000 0.978 346 Q CA 2.160 57.836 55.803 -0.213 0.000 0.844 346 Q CB -1.027 27.695 28.738 -0.026 0.000 0.898 346 Q HN 0.574 nan 8.270 nan 0.000 0.426 347 Y N 0.238 120.499 120.300 -0.064 0.000 2.163 347 Y HA -0.149 4.402 4.550 0.001 0.000 0.288 347 Y C 2.380 178.226 175.900 -0.089 0.000 1.136 347 Y CA 2.106 60.190 58.100 -0.026 0.000 1.147 347 Y CB -0.128 38.364 38.460 0.054 0.000 0.987 347 Y HN 0.087 nan 8.280 nan 0.000 0.509 348 R N -1.159 119.347 120.500 0.009 0.000 2.120 348 R HA -0.218 4.122 4.340 0.001 0.000 0.234 348 R C 2.144 178.068 176.300 -0.626 0.000 1.123 348 R CA 1.564 57.486 56.100 -0.295 0.000 0.975 348 R CB -0.656 29.485 30.300 -0.265 0.000 0.866 348 R HN 0.541 nan 8.270 nan 0.000 0.446 349 Y N 1.391 121.371 120.300 -0.533 0.000 2.109 349 Y HA -0.196 4.355 4.550 0.001 0.000 0.285 349 Y C 1.654 177.304 175.900 -0.417 0.000 1.131 349 Y CA 1.915 59.779 58.100 -0.394 0.000 1.121 349 Y CB -0.343 37.776 38.460 -0.567 0.000 0.987 349 Y HN 0.075 nan 8.280 nan 0.000 0.495 350 D N -0.747 119.290 120.400 -0.605 0.000 2.133 350 D HA -0.197 4.444 4.640 0.001 0.000 0.195 350 D C 1.462 177.225 176.300 -0.896 0.000 0.997 350 D CA 1.939 55.458 54.000 -0.801 0.000 0.840 350 D CB -0.365 39.907 40.800 -0.880 0.000 0.947 350 D HN 0.567 nan 8.370 nan 0.000 0.452 351 H N -1.823 116.931 119.070 -0.526 0.000 2.542 351 H HA 0.245 4.802 4.556 0.001 0.000 0.283 351 H C 1.356 176.469 175.328 -0.358 0.000 1.059 351 H CA 0.045 55.824 56.048 -0.448 0.000 1.162 351 H CB 1.054 30.467 29.762 -0.581 0.000 1.539 351 H HN 0.101 nan 8.280 nan 0.000 0.543 352 M N -1.092 118.312 119.600 -0.327 0.000 1.836 352 M HA -0.018 4.462 4.480 0.001 0.000 0.176 352 M C 1.003 177.210 176.300 -0.156 0.000 1.652 352 M CA 0.405 55.550 55.300 -0.258 0.000 0.869 352 M CB -0.378 32.002 32.600 -0.367 0.000 1.562 352 M HN -0.080 nan 8.290 nan 0.000 0.606 353 Y N 1.696 121.889 120.300 -0.179 0.000 2.097 353 Y HA -0.166 4.385 4.550 0.001 0.000 0.282 353 Y C 2.517 178.280 175.900 -0.229 0.000 1.152 353 Y CA 2.032 60.046 58.100 -0.144 0.000 1.136 353 Y CB -1.344 37.115 38.460 -0.002 0.000 0.975 353 Y HN 0.323 nan 8.280 nan 0.000 0.498 354 K N 0.178 120.346 120.400 -0.386 0.000 2.009 354 K HA -0.148 4.172 4.320 0.001 0.000 0.210 354 K C -0.703 175.822 176.600 -0.125 0.000 1.049 354 K CA 1.769 57.790 56.287 -0.442 0.000 0.929 354 K CB -1.091 30.894 32.500 -0.857 0.000 0.714 354 K HN 0.217 nan 8.250 nan 0.000 0.440 355 P HA -0.115 nan 4.420 nan 0.000 0.220 355 P C 1.280 178.620 177.300 0.066 0.000 1.152 355 P CA 1.312 64.417 63.100 0.007 0.000 0.812 355 P CB 0.145 31.813 31.700 -0.054 0.000 0.792 356 L N -1.815 119.436 121.223 0.047 0.000 2.470 356 L HA 0.102 4.443 4.340 0.001 0.000 0.219 356 L C 2.537 179.510 176.870 0.172 0.000 1.071 356 L CA 0.589 55.484 54.840 0.092 0.000 0.850 356 L CB -0.347 41.730 42.059 0.029 0.000 1.040 356 L HN 0.012 nan 8.230 nan 0.000 0.475 357 C N -0.663 118.732 119.300 0.157 0.000 2.664 357 C HA 0.095 4.556 4.460 0.001 0.000 0.285 357 C C 2.522 177.676 174.990 0.272 0.000 1.386 357 C CA -0.275 58.877 59.018 0.223 0.000 1.753 357 C CB -0.420 27.399 27.740 0.131 0.000 2.115 357 C HN 0.303 nan 8.230 nan 0.000 0.577 358 L N 0.207 121.521 121.223 0.152 0.000 2.027 358 L HA -0.063 4.277 4.340 0.001 0.000 0.206 358 L C 0.690 177.576 176.870 0.026 0.000 1.074 358 L CA 1.379 56.262 54.840 0.071 0.000 0.745 358 L CB -0.855 41.166 42.059 -0.065 0.000 0.898 358 L HN 0.511 nan 8.230 nan 0.000 0.433 359 H N -0.574 118.582 119.070 0.143 0.000 2.519 359 H HA 0.420 4.977 4.556 0.001 0.000 0.316 359 H C 0.676 176.097 175.328 0.154 0.000 1.065 359 H CA 0.513 56.637 56.048 0.127 0.000 1.264 359 H CB 1.535 31.334 29.762 0.062 0.000 1.413 359 H HN 0.283 nan 8.280 nan 0.000 0.465 360 G N 3.380 112.365 108.800 0.308 0.000 3.700 360 G HA2 -0.325 3.636 3.960 0.001 0.000 0.211 360 G HA3 -0.325 3.636 3.960 0.001 0.000 0.211 360 G C 0.996 176.082 174.900 0.310 0.000 1.777 360 G CA 0.294 45.553 45.100 0.265 0.000 1.460 360 G HN 0.498 nan 8.290 nan 0.000 0.615 361 F N 2.646 122.730 119.950 0.222 0.000 2.031 361 F HA 0.041 4.569 4.527 0.001 0.000 0.295 361 F C 2.481 178.471 175.800 0.316 0.000 1.133 361 F CA 2.808 60.964 58.000 0.260 0.000 1.188 361 F CB -0.440 38.690 39.000 0.216 0.000 0.974 361 F HN 0.320 nan 8.300 nan 0.000 0.473 362 N N 0.060 119.039 118.700 0.465 0.000 2.381 362 N HA -0.151 4.590 4.740 0.001 0.000 0.182 362 N C 1.179 176.807 175.510 0.195 0.000 1.025 362 N CA 1.018 54.272 53.050 0.339 0.000 0.888 362 N CB -0.228 38.487 38.487 0.381 0.000 0.965 362 N HN 0.260 nan 8.380 nan 0.000 0.438 363 D N -0.213 120.314 120.400 0.211 0.000 2.178 363 D HA -0.068 4.573 4.640 0.001 0.000 0.201 363 D C 1.696 178.075 176.300 0.132 0.000 0.980 363 D CA 0.874 54.969 54.000 0.158 0.000 0.842 363 D CB -0.210 40.754 40.800 0.274 0.000 0.948 363 D HN 0.114 nan 8.370 nan 0.000 0.472 364 S N 0.525 116.305 115.700 0.132 0.000 2.382 364 S HA -0.131 4.340 4.470 0.001 0.000 0.228 364 S C 1.403 175.980 174.600 -0.038 0.000 1.027 364 S CA 0.888 59.120 58.200 0.054 0.000 0.991 364 S CB -0.071 63.066 63.200 -0.105 0.000 0.823 364 S HN 0.271 nan 8.310 nan 0.000 0.469 365 D N 1.345 121.714 120.400 -0.051 0.000 2.144 365 D HA -0.013 4.627 4.640 0.001 0.000 0.200 365 D C 1.923 178.127 176.300 -0.161 0.000 0.978 365 D CA 0.395 54.335 54.000 -0.100 0.000 0.833 365 D CB -0.336 40.450 40.800 -0.023 0.000 0.961 365 D HN 0.256 nan 8.370 nan 0.000 0.470 366 L N 0.099 121.192 121.223 -0.216 0.000 1.989 366 L HA -0.258 4.083 4.340 0.001 0.000 0.211 366 L C 2.225 178.896 176.870 -0.332 0.000 1.071 366 L CA 1.649 56.267 54.840 -0.369 0.000 0.749 366 L CB -0.362 41.386 42.059 -0.518 0.000 0.890 366 L HN 0.102 nan 8.230 nan 0.000 0.431 367 Y N -0.669 119.614 120.300 -0.028 0.000 2.373 367 Y HA -0.079 4.472 4.550 0.001 0.000 0.293 367 Y C 2.566 178.440 175.900 -0.044 0.000 1.129 367 Y CA 0.680 58.769 58.100 -0.019 0.000 1.226 367 Y CB -0.489 37.961 38.460 -0.017 0.000 1.000 367 Y HN 0.277 nan 8.280 nan 0.000 0.549 368 A N 0.839 123.683 122.820 0.041 0.000 1.902 368 A HA -0.201 4.120 4.320 0.001 0.000 0.217 368 A C 2.192 179.742 177.584 -0.057 0.000 1.181 368 A CA 1.610 53.631 52.037 -0.027 0.000 0.623 368 A CB -0.500 18.447 19.000 -0.087 0.000 0.818 368 A HN 0.403 nan 8.150 nan 0.000 0.443 369 R N -0.464 119.980 120.500 -0.093 0.000 2.073 369 R HA -0.122 4.219 4.340 0.001 0.000 0.234 369 R C 2.221 178.503 176.300 -0.030 0.000 1.134 369 R CA 1.538 57.575 56.100 -0.106 0.000 0.952 369 R CB -0.411 29.809 30.300 -0.133 0.000 0.850 369 R HN 0.655 nan 8.270 nan 0.000 0.433 370 E N 0.566 120.776 120.200 0.016 0.000 2.097 370 E HA -0.213 4.138 4.350 0.001 0.000 0.196 370 E C 1.987 178.626 176.600 0.066 0.000 1.000 370 E CA 1.267 57.711 56.400 0.073 0.000 0.804 370 E CB -0.126 29.646 29.700 0.119 0.000 0.740 370 E HN 0.397 nan 8.360 nan 0.000 0.454 371 A N 0.584 123.436 122.820 0.052 0.000 2.131 371 A HA -0.163 4.157 4.320 0.001 0.000 0.220 371 A C 1.976 179.580 177.584 0.034 0.000 1.158 371 A CA 1.244 53.303 52.037 0.036 0.000 0.665 371 A CB -0.368 18.642 19.000 0.017 0.000 0.795 371 A HN 0.301 nan 8.150 nan 0.000 0.460 372 M N -1.527 118.099 119.600 0.043 0.000 2.492 372 M HA -0.001 4.480 4.480 0.001 0.000 0.255 372 M C 1.605 178.026 176.300 0.201 0.000 1.139 372 M CA 0.399 55.759 55.300 0.100 0.000 1.096 372 M CB 0.090 32.720 32.600 0.050 0.000 1.360 372 M HN 0.306 nan 8.290 nan 0.000 0.480 373 Q N 0.913 120.793 119.800 0.134 0.000 2.096 373 Q HA -0.195 4.146 4.340 0.001 0.000 0.204 373 Q C 1.345 177.475 176.000 0.216 0.000 0.982 373 Q CA 1.997 57.899 55.803 0.164 0.000 0.850 373 Q CB -0.946 27.861 28.738 0.115 0.000 0.901 373 Q HN 0.710 nan 8.270 nan 0.000 0.422 374 N N -0.138 118.664 118.700 0.170 0.000 2.205 374 N HA -0.158 4.583 4.740 0.001 0.000 0.186 374 N C 1.522 177.146 175.510 0.189 0.000 1.015 374 N CA 0.616 53.764 53.050 0.164 0.000 0.862 374 N CB -0.195 38.359 38.487 0.111 0.000 0.986 374 N HN 0.086 nan 8.380 nan 0.000 0.429 375 F N 0.316 120.247 119.950 -0.031 0.000 2.234 375 F HA -0.104 4.424 4.527 0.001 0.000 0.299 375 F C 1.087 176.660 175.800 -0.379 0.000 1.087 375 F CA 1.181 59.045 58.000 -0.226 0.000 1.340 375 F CB -0.116 38.673 39.000 -0.352 0.000 1.031 375 F HN 0.071 nan 8.300 nan 0.000 0.500 376 Y N -3.089 117.121 120.300 -0.150 0.000 2.524 376 Y HA -0.001 4.550 4.550 0.001 0.000 0.270 376 Y C 2.110 177.986 175.900 -0.040 0.000 1.094 376 Y CA 0.540 58.427 58.100 -0.356 0.000 1.276 376 Y CB -1.009 37.080 38.460 -0.620 0.000 1.130 376 Y HN 0.052 nan 8.280 nan 0.000 0.536 377 Y N 2.226 122.606 120.300 0.134 0.000 2.114 377 Y HA -0.318 4.233 4.550 0.001 0.000 0.282 377 Y C 1.857 177.828 175.900 0.118 0.000 1.165 377 Y CA 2.005 60.186 58.100 0.135 0.000 1.148 377 Y CB -0.105 38.407 38.460 0.087 0.000 0.972 377 Y HN 0.296 nan 8.280 nan 0.000 0.504 378 D N -1.384 118.995 120.400 -0.035 0.000 2.319 378 D HA 0.132 4.773 4.640 0.001 0.000 0.230 378 D C 1.643 177.901 176.300 -0.070 0.000 1.094 378 D CA 0.820 54.762 54.000 -0.097 0.000 0.856 378 D CB -0.148 40.661 40.800 0.015 0.000 0.915 378 D HN 0.500 nan 8.370 nan 0.000 0.517 379 G N -0.557 108.239 108.800 -0.008 0.000 2.234 379 G HA2 -0.383 3.578 3.960 0.001 0.000 0.235 379 G HA3 -0.383 3.578 3.960 0.001 0.000 0.235 379 G C 1.319 176.204 174.900 -0.026 0.000 0.997 379 G CA 0.504 45.670 45.100 0.108 0.000 0.623 379 G HN 0.350 nan 8.290 nan 0.000 0.514 380 T N 0.960 115.388 114.554 -0.209 0.000 2.635 380 T HA -0.063 4.288 4.350 0.001 0.000 0.267 380 T C 2.542 176.794 174.700 -0.745 0.000 1.040 380 T CA 2.623 64.493 62.100 -0.384 0.000 1.156 380 T CB -0.858 67.776 68.868 -0.390 0.000 0.863 380 T HN 1.126 nan 8.240 nan 0.000 0.430 381 G N -0.084 107.875 108.800 -1.402 0.000 2.442 381 G HA2 -0.197 3.764 3.960 0.001 0.000 0.219 381 G HA3 -0.197 3.764 3.960 0.001 0.000 0.219 381 G C 1.210 175.585 174.900 -0.875 0.000 1.141 381 G CA 0.477 44.312 45.100 -2.109 0.000 0.763 381 G HN 0.625 nan 8.290 nan 0.000 0.554 382 W N 0.751 121.966 121.300 -0.141 0.000 2.468 382 W HA 0.093 4.753 4.660 0.001 0.000 0.262 382 W C 1.710 178.277 176.519 0.079 0.000 1.241 382 W CA 0.613 58.052 57.345 0.157 0.000 1.232 382 W CB 0.254 29.809 29.460 0.158 0.000 1.124 382 W HN 0.164 nan 8.180 nan 0.000 0.597 383 D N -1.693 118.762 120.400 0.090 0.000 2.597 383 D HA -0.057 4.583 4.640 0.001 0.000 0.261 383 D C 1.190 177.494 176.300 0.007 0.000 1.023 383 D CA 0.893 54.931 54.000 0.064 0.000 0.927 383 D CB -0.500 40.316 40.800 0.027 0.000 1.168 383 D HN -0.043 nan 8.370 nan 0.000 0.491 384 D N 1.253 121.589 120.400 -0.107 0.000 2.339 384 D HA -0.004 4.637 4.640 0.001 0.000 0.217 384 D C 0.461 176.818 176.300 0.095 0.000 1.050 384 D CA 0.109 54.093 54.000 -0.027 0.000 0.856 384 D CB 0.028 40.803 40.800 -0.042 0.000 0.922 384 D HN 0.465 nan 8.370 nan 0.000 0.518 385 E N 0.814 121.055 120.200 0.067 0.000 2.415 385 E HA 0.016 4.367 4.350 0.001 0.000 0.262 385 E C -0.356 176.342 176.600 0.164 0.000 1.038 385 E CA 0.117 56.660 56.400 0.237 0.000 0.921 385 E CB 0.506 30.350 29.700 0.240 0.000 0.950 385 E HN 0.040 nan 8.360 nan 0.000 0.438 386 Q N 3.109 122.990 119.800 0.135 0.000 2.571 386 Q HA 0.301 4.642 4.340 0.001 0.000 0.243 386 Q C -0.556 175.498 176.000 0.090 0.000 1.055 386 Q CA -0.339 55.522 55.803 0.096 0.000 0.815 386 Q CB 1.049 29.826 28.738 0.065 0.000 1.151 386 Q HN 0.493 nan 8.270 nan 0.000 0.519 387 L N 1.772 123.060 121.223 0.109 0.000 2.453 387 L HA 0.437 4.777 4.340 0.001 0.000 0.261 387 L C 0.635 177.556 176.870 0.086 0.000 1.179 387 L CA -0.495 54.407 54.840 0.104 0.000 0.813 387 L CB 0.327 42.465 42.059 0.130 0.000 1.110 387 L HN 0.283 nan 8.230 nan 0.000 0.466 388 V N -1.317 118.645 119.914 0.081 0.000 3.165 388 V HA 0.628 4.748 4.120 0.001 0.000 0.307 388 V C 0.939 177.081 176.094 0.080 0.000 1.281 388 V CA -0.079 62.263 62.300 0.071 0.000 1.056 388 V CB 0.882 32.739 31.823 0.058 0.000 1.178 388 V HN 0.792 nan 8.190 nan 0.000 0.475 389 A N 0.461 123.322 122.820 0.068 0.000 1.892 389 A HA -0.182 4.139 4.320 0.001 0.000 0.218 389 A C 2.180 179.825 177.584 0.101 0.000 1.188 389 A CA 3.480 55.556 52.037 0.065 0.000 0.631 389 A CB -1.688 17.336 19.000 0.040 0.000 0.822 389 A HN 1.617 nan 8.150 nan 0.000 0.447 390 T N -2.491 112.142 114.554 0.132 0.000 2.977 390 T HA -0.100 4.250 4.350 0.001 0.000 0.271 390 T C 0.861 175.695 174.700 0.222 0.000 1.105 390 T CA 1.338 63.568 62.100 0.217 0.000 1.116 390 T CB -0.397 68.587 68.868 0.193 0.000 0.878 390 T HN 0.414 nan 8.240 nan 0.000 0.509 391 D N 0.646 121.142 120.400 0.159 0.000 2.352 391 D HA 0.118 4.758 4.640 0.001 0.000 0.232 391 D C 1.554 177.962 176.300 0.179 0.000 1.055 391 D CA -0.036 54.053 54.000 0.149 0.000 0.891 391 D CB -0.106 40.763 40.800 0.116 0.000 0.897 391 D HN 0.384 nan 8.370 nan 0.000 0.529 392 I N 0.495 121.187 120.570 0.205 0.000 2.454 392 I HA -0.239 3.932 4.170 0.001 0.000 0.254 392 I C 1.891 178.167 176.117 0.265 0.000 1.156 392 I CA 1.178 62.600 61.300 0.204 0.000 1.433 392 I CB -0.039 38.065 38.000 0.172 0.000 1.082 392 I HN -0.201 nan 8.210 nan 0.000 0.432 393 S N 1.892 117.794 115.700 0.337 0.000 2.344 393 S HA -0.046 4.425 4.470 0.001 0.000 0.217 393 S C -0.367 174.506 174.600 0.454 0.000 1.033 393 S CA 1.806 60.246 58.200 0.401 0.000 1.017 393 S CB -1.531 61.921 63.200 0.420 0.000 0.941 393 S HN 0.448 nan 8.310 nan 0.000 0.430 394 P HA -0.033 nan 4.420 nan 0.000 0.217 394 P C 1.393 178.811 177.300 0.197 0.000 1.150 394 P CA 1.044 64.359 63.100 0.358 0.000 0.832 394 P CB -0.228 31.532 31.700 0.099 0.000 0.787 395 I N -0.092 120.552 120.570 0.124 0.000 2.226 395 I HA -0.209 3.962 4.170 0.001 0.000 0.245 395 I C 2.327 178.492 176.117 0.080 0.000 1.100 395 I CA 1.824 63.158 61.300 0.056 0.000 1.374 395 I CB -1.249 36.847 38.000 0.160 0.000 1.057 395 I HN 0.000 nan 8.210 nan 0.000 0.413 396 T N 0.438 115.086 114.554 0.157 0.000 2.788 396 T HA -0.226 4.125 4.350 0.001 0.000 0.268 396 T C 1.523 176.301 174.700 0.130 0.000 1.044 396 T CA 1.359 63.549 62.100 0.150 0.000 1.139 396 T CB -0.372 68.603 68.868 0.179 0.000 0.867 396 T HN 0.586 nan 8.240 nan 0.000 0.454 397 W N 2.590 123.871 121.300 -0.032 0.000 2.355 397 W HA -0.146 4.515 4.660 0.001 0.000 0.309 397 W C 1.999 178.425 176.519 -0.154 0.000 1.206 397 W CA 0.821 58.108 57.345 -0.096 0.000 1.284 397 W CB -0.309 29.098 29.460 -0.089 0.000 1.145 397 W HN 0.176 nan 8.180 nan 0.000 0.502 398 R N 0.570 120.674 120.500 -0.659 0.000 2.091 398 R HA -0.162 4.179 4.340 0.001 0.000 0.238 398 R C 2.365 178.375 176.300 -0.483 0.000 1.136 398 R CA 1.988 57.430 56.100 -1.097 0.000 0.959 398 R CB -0.450 29.115 30.300 -1.225 0.000 0.856 398 R HN 0.193 nan 8.270 nan 0.000 0.437 399 K N 0.666 120.966 120.400 -0.168 0.000 2.026 399 K HA -0.140 4.181 4.320 0.001 0.000 0.208 399 K C 2.192 178.774 176.600 -0.030 0.000 1.048 399 K CA 1.475 57.763 56.287 0.001 0.000 0.929 399 K CB -0.298 32.254 32.500 0.086 0.000 0.713 399 K HN 0.132 nan 8.250 nan 0.000 0.439 400 L N -0.768 120.437 121.223 -0.031 0.000 2.093 400 L HA 0.056 4.396 4.340 0.001 0.000 0.208 400 L C 2.281 179.140 176.870 -0.018 0.000 1.085 400 L CA 1.750 56.644 54.840 0.090 0.000 0.755 400 L CB -0.870 41.275 42.059 0.144 0.000 0.904 400 L HN -0.036 nan 8.230 nan 0.000 0.435 401 A N -0.029 122.580 122.820 -0.353 0.000 1.902 401 A HA -0.140 4.181 4.320 0.001 0.000 0.217 401 A C 2.424 179.816 177.584 -0.319 0.000 1.181 401 A CA 1.949 53.691 52.037 -0.492 0.000 0.623 401 A CB -1.065 17.443 19.000 -0.820 0.000 0.818 401 A HN 0.561 nan 8.150 nan 0.000 0.443 402 S N -0.657 114.965 115.700 -0.129 0.000 2.382 402 S HA -0.138 4.332 4.470 0.001 0.000 0.228 402 S C 2.083 176.616 174.600 -0.113 0.000 1.027 402 S CA 1.414 59.603 58.200 -0.019 0.000 0.991 402 S CB -0.253 62.983 63.200 0.060 0.000 0.823 402 S HN 0.597 nan 8.310 nan 0.000 0.469 403 R N -0.823 119.580 120.500 -0.160 0.000 2.093 403 R HA 0.009 4.350 4.340 0.001 0.000 0.224 403 R C 1.178 177.129 176.300 -0.582 0.000 1.101 403 R CA 1.106 56.987 56.100 -0.365 0.000 0.979 403 R CB -0.073 29.984 30.300 -0.405 0.000 0.877 403 R HN 0.455 nan 8.270 nan 0.000 0.441 404 W N 1.269 122.509 121.300 -0.100 0.000 3.127 404 W HA 0.129 4.790 4.660 0.001 0.000 0.344 404 W C 0.018 176.491 176.519 -0.076 0.000 1.151 404 W CA -0.904 56.403 57.345 -0.064 0.000 1.765 404 W CB -0.163 29.280 29.460 -0.028 0.000 1.085 404 W HN 0.068 nan 8.180 nan 0.000 0.596 405 N N 0.756 119.393 118.700 -0.103 0.000 2.416 405 N HA 0.029 4.769 4.740 0.001 0.000 0.246 405 N C 0.691 176.274 175.510 0.122 0.000 1.260 405 N CA 0.011 52.971 53.050 -0.150 0.000 0.897 405 N CB 0.579 38.514 38.487 -0.920 0.000 1.110 405 N HN 0.055 nan 8.380 nan 0.000 0.439 406 R N 0.517 121.194 120.500 0.294 0.000 2.356 406 R HA 0.274 4.615 4.340 0.001 0.000 0.234 406 R C 0.047 176.427 176.300 0.133 0.000 0.929 406 R CA 0.014 56.173 56.100 0.099 0.000 1.084 406 R CB -0.131 30.075 30.300 -0.157 0.000 1.105 406 R HN 0.802 nan 8.270 nan 0.000 0.515 407 G N 0.735 109.657 108.800 0.203 0.000 2.368 407 G HA2 0.134 4.095 3.960 0.001 0.000 0.303 407 G HA3 0.134 4.095 3.960 0.001 0.000 0.303 407 G C -1.381 173.703 174.900 0.306 0.000 1.590 407 G CA -0.977 44.243 45.100 0.201 0.000 0.938 407 G HN 0.022 nan 8.290 nan 0.000 0.675 408 I N 1.681 122.393 120.570 0.237 0.000 2.339 408 I HA 0.538 4.709 4.170 0.001 0.000 0.290 408 I C 0.999 177.190 176.117 0.124 0.000 0.994 408 I CA -0.788 60.651 61.300 0.232 0.000 1.191 408 I CB 1.760 39.873 38.000 0.187 0.000 1.343 408 I HN 0.811 nan 8.210 nan 0.000 0.458 409 A N 6.756 129.637 122.820 0.102 0.000 2.488 409 A HA 0.262 4.583 4.320 0.001 0.000 0.249 409 A C 0.039 177.617 177.584 -0.009 0.000 1.083 409 A CA -0.063 52.001 52.037 0.046 0.000 0.768 409 A CB 0.102 19.138 19.000 0.061 0.000 1.017 409 A HN 0.699 nan 8.150 nan 0.000 0.496 410 K N 2.439 122.774 120.400 -0.110 0.000 2.154 410 K HA 0.406 4.727 4.320 0.001 0.000 0.264 410 K C -2.491 173.760 176.600 -0.582 0.000 1.008 410 K CA -1.365 54.785 56.287 -0.229 0.000 0.937 410 K CB 0.305 32.706 32.500 -0.165 0.000 1.002 410 K HN 0.432 nan 8.250 nan 0.000 0.469 411 P HA -0.042 nan 4.420 nan 0.000 0.266 411 P C -0.374 176.221 177.300 -1.175 0.000 1.193 411 P CA -0.033 62.073 63.100 -1.656 0.000 0.770 411 P CB 0.483 31.752 31.700 -0.719 0.000 0.836 412 G N 2.817 110.713 108.800 -1.506 0.000 2.441 412 G HA2 0.316 4.277 3.960 0.001 0.000 0.243 412 G HA3 0.316 4.277 3.960 0.001 0.000 0.243 412 G C -0.413 174.303 174.900 -0.308 0.000 1.281 412 G CA -0.331 44.411 45.100 -0.597 0.000 0.854 412 G HN 0.306 nan 8.290 nan 0.000 0.560 413 R N 0.751 121.146 120.500 -0.176 0.000 2.538 413 R HA 0.498 4.839 4.340 0.001 0.000 0.292 413 R C 0.555 176.824 176.300 -0.052 0.000 1.008 413 R CA -0.367 55.674 56.100 -0.097 0.000 0.896 413 R CB 1.399 31.641 30.300 -0.096 0.000 1.187 413 R HN 1.345 nan 8.270 nan 0.000 0.440 414 G N 0.849 109.636 108.800 -0.022 0.000 2.198 414 G HA2 -0.276 3.684 3.960 0.001 0.000 0.260 414 G HA3 -0.276 3.684 3.960 0.001 0.000 0.260 414 G C 0.020 174.921 174.900 0.001 0.000 1.025 414 G CA 0.719 45.814 45.100 -0.008 0.000 0.769 414 G HN 0.647 nan 8.290 nan 0.000 0.507 415 V N -4.384 115.536 119.914 0.010 0.000 3.160 415 V HA 0.967 5.088 4.120 0.001 0.000 0.310 415 V C 0.540 176.665 176.094 0.052 0.000 1.181 415 V CA -0.853 61.462 62.300 0.025 0.000 1.047 415 V CB 1.387 33.218 31.823 0.013 0.000 1.068 415 V HN 1.815 nan 8.190 nan 0.000 0.441 416 A N 0.523 123.377 122.820 0.057 0.000 2.520 416 A HA 0.575 4.896 4.320 0.001 0.000 0.245 416 A C 1.488 179.134 177.584 0.105 0.000 1.072 416 A CA 0.823 52.901 52.037 0.067 0.000 0.761 416 A CB -0.593 18.438 19.000 0.052 0.000 1.004 416 A HN 2.882 nan 8.150 nan 0.000 0.499 417 G N 0.760 109.631 108.800 0.118 0.000 2.213 417 G HA2 -0.019 3.941 3.960 0.001 0.000 0.236 417 G HA3 -0.019 3.941 3.960 0.001 0.000 0.236 417 G C 1.193 176.270 174.900 0.294 0.000 0.991 417 G CA 0.955 46.168 45.100 0.188 0.000 0.629 417 G HN 1.908 nan 8.290 nan 0.000 0.517 418 A N -0.632 122.309 122.820 0.202 0.000 1.969 418 A HA 0.546 4.867 4.320 0.001 0.000 0.218 418 A C 1.140 178.825 177.584 0.168 0.000 1.169 418 A CA 1.958 54.097 52.037 0.169 0.000 0.635 418 A CB 0.137 19.172 19.000 0.058 0.000 0.810 418 A HN 1.155 nan 8.150 nan 0.000 0.445 419 V N 0.086 120.078 119.914 0.130 0.000 2.531 419 V HA 0.215 4.336 4.120 0.001 0.000 0.301 419 V C 0.328 176.475 176.094 0.087 0.000 1.034 419 V CA -0.689 61.677 62.300 0.109 0.000 0.865 419 V CB 1.769 33.643 31.823 0.085 0.000 0.995 419 V HN 0.418 nan 8.190 nan 0.000 0.424 420 K N 1.707 122.153 120.400 0.078 0.000 2.361 420 K HA 0.048 4.368 4.320 0.001 0.000 0.196 420 K C 0.265 176.839 176.600 -0.044 0.000 1.039 420 K CA 0.726 57.024 56.287 0.019 0.000 1.001 420 K CB 0.240 32.750 32.500 0.016 0.000 0.795 420 K HN 0.850 nan 8.250 nan 0.000 0.495 421 D N 1.046 121.458 120.400 0.021 0.000 2.892 421 D HA -0.025 4.616 4.640 0.001 0.000 0.291 421 D C 0.094 176.509 176.300 0.192 0.000 1.341 421 D CA -0.378 53.655 54.000 0.055 0.000 0.844 421 D CB -0.246 40.688 40.800 0.222 0.000 1.093 421 D HN -0.060 nan 8.370 nan 0.000 0.480 422 T N -2.704 111.906 114.554 0.094 0.000 2.860 422 T HA 0.191 4.542 4.350 0.001 0.000 0.299 422 T C 1.609 176.452 174.700 0.238 0.000 1.045 422 T CA 0.052 62.239 62.100 0.144 0.000 1.071 422 T CB 1.535 70.453 68.868 0.084 0.000 0.985 422 T HN 0.072 nan 8.240 nan 0.000 0.537 423 S N 1.750 117.581 115.700 0.218 0.000 2.419 423 S HA -0.095 4.376 4.470 0.001 0.000 0.233 423 S C 2.009 176.717 174.600 0.180 0.000 1.016 423 S CA 0.623 58.962 58.200 0.232 0.000 0.974 423 S CB -0.884 62.393 63.200 0.128 0.000 0.786 423 S HN 0.651 nan 8.310 nan 0.000 0.492 424 L N 0.541 121.833 121.223 0.114 0.000 2.046 424 L HA -0.004 4.337 4.340 0.001 0.000 0.208 424 L C 2.570 179.470 176.870 0.051 0.000 1.077 424 L CA 1.387 56.271 54.840 0.074 0.000 0.747 424 L CB -0.419 41.674 42.059 0.056 0.000 0.896 424 L HN 0.333 nan 8.230 nan 0.000 0.432 425 I N -1.412 119.166 120.570 0.013 0.000 2.315 425 I HA -0.291 3.880 4.170 0.001 0.000 0.248 425 I C 2.170 178.213 176.117 -0.123 0.000 1.117 425 I CA 1.328 62.574 61.300 -0.090 0.000 1.404 425 I CB -0.153 37.733 38.000 -0.190 0.000 1.071 425 I HN 0.103 nan 8.210 nan 0.000 0.419 426 F N 1.023 120.984 119.950 0.018 0.000 2.234 426 F HA -0.188 4.340 4.527 0.002 0.000 0.299 426 F C 2.576 178.381 175.800 0.009 0.000 1.087 426 F CA 1.280 59.287 58.000 0.011 0.000 1.340 426 F CB -0.235 38.772 39.000 0.011 0.000 1.031 426 F HN -0.059 nan 8.300 nan 0.000 0.500 427 K N 0.626 121.132 120.400 0.177 0.000 2.002 427 K HA -0.234 4.087 4.320 0.001 0.000 0.209 427 K C 1.939 178.577 176.600 0.063 0.000 1.048 427 K CA 1.791 58.140 56.287 0.102 0.000 0.930 427 K CB -0.263 32.282 32.500 0.076 0.000 0.714 427 K HN 0.304 nan 8.250 nan 0.000 0.438 428 Q N -0.185 119.639 119.800 0.040 0.000 2.084 428 Q HA -0.123 4.218 4.340 0.001 0.000 0.202 428 Q C 2.067 178.076 176.000 0.014 0.000 0.978 428 Q CA 2.207 58.020 55.803 0.018 0.000 0.844 428 Q CB -0.131 28.610 28.738 0.005 0.000 0.898 428 Q HN 0.399 nan 8.270 nan 0.000 0.426 429 T N 0.891 115.449 114.554 0.008 0.000 2.746 429 T HA -0.144 4.207 4.350 0.001 0.000 0.267 429 T C 1.949 176.668 174.700 0.033 0.000 1.039 429 T CA 1.177 63.278 62.100 0.002 0.000 1.142 429 T CB -0.319 68.534 68.868 -0.025 0.000 0.866 429 T HN 0.403 nan 8.240 nan 0.000 0.444 430 A N 2.027 124.886 122.820 0.066 0.000 1.940 430 A HA -0.147 4.174 4.320 0.001 0.000 0.219 430 A C 1.918 179.521 177.584 0.031 0.000 1.176 430 A CA 1.646 53.718 52.037 0.058 0.000 0.631 430 A CB -0.579 18.463 19.000 0.070 0.000 0.814 430 A HN 0.334 nan 8.150 nan 0.000 0.446 431 D N -1.319 119.096 120.400 0.026 0.000 2.378 431 D HA 0.242 4.883 4.640 0.001 0.000 0.227 431 D C 1.374 177.678 176.300 0.007 0.000 1.012 431 D CA 1.204 55.212 54.000 0.014 0.000 0.905 431 D CB -0.088 40.719 40.800 0.013 0.000 0.895 431 D HN 0.648 nan 8.370 nan 0.000 0.532 432 G N 0.552 109.356 108.800 0.006 0.000 2.157 432 G HA2 -0.287 3.674 3.960 0.001 0.000 0.239 432 G HA3 -0.287 3.674 3.960 0.001 0.000 0.239 432 G C 0.155 175.053 174.900 -0.004 0.000 0.982 432 G CA -0.297 44.802 45.100 -0.003 0.000 0.650 432 G HN 0.324 nan 8.290 nan 0.000 0.527 433 K N 0.975 121.376 120.400 0.001 0.000 2.227 433 K HA 0.533 4.854 4.320 0.001 0.000 0.280 433 K C 0.887 177.490 176.600 0.005 0.000 1.041 433 K CA -0.533 55.758 56.287 0.008 0.000 0.905 433 K CB 1.088 33.595 32.500 0.012 0.000 1.068 433 K HN 0.292 nan 8.250 nan 0.000 0.470 434 R N 2.274 122.788 120.500 0.024 0.000 2.583 434 R HA 0.237 4.577 4.340 0.001 0.000 0.268 434 R C -2.123 174.248 176.300 0.118 0.000 1.101 434 R CA -1.732 54.390 56.100 0.036 0.000 1.180 434 R CB -0.158 30.174 30.300 0.054 0.000 1.128 434 R HN 0.387 nan 8.270 nan 0.000 0.568 435 P HA 0.054 nan 4.420 nan 0.000 0.266 435 P C -0.495 176.921 177.300 0.193 0.000 1.195 435 P CA 0.212 63.423 63.100 0.185 0.000 0.768 435 P CB 0.803 32.655 31.700 0.254 0.000 0.838 436 G N 0.094 108.957 108.800 0.105 0.000 3.243 436 G HA2 0.368 4.329 3.960 0.001 0.000 0.248 436 G HA3 0.368 4.329 3.960 0.001 0.000 0.248 436 G C -1.173 173.806 174.900 0.132 0.000 1.267 436 G CA -0.092 45.067 45.100 0.099 0.000 0.906 436 G HN 0.460 nan 8.290 nan 0.000 0.592 437 Y N -0.382 119.906 120.300 -0.021 0.000 3.012 437 Y HA 0.457 5.008 4.550 0.001 0.000 0.236 437 Y C 0.736 176.630 175.900 -0.009 0.000 1.017 437 Y CA 0.227 58.312 58.100 -0.025 0.000 1.364 437 Y CB 0.294 38.737 38.460 -0.028 0.000 1.491 437 Y HN 0.252 nan 8.280 nan 0.000 0.435 438 K N 2.082 122.429 120.400 -0.088 0.000 2.276 438 K HA 0.404 4.724 4.320 0.001 0.000 0.283 438 K C -0.705 175.835 176.600 -0.101 0.000 1.044 438 K CA -0.436 55.737 56.287 -0.190 0.000 0.944 438 K CB 1.766 34.240 32.500 -0.043 0.000 1.012 438 K HN -0.039 nan 8.250 nan 0.000 0.472 439 V N 3.282 123.124 119.914 -0.119 0.000 2.585 439 V HA -0.029 4.092 4.120 0.001 0.000 0.296 439 V C 0.667 176.732 176.094 -0.048 0.000 1.035 439 V CA 0.016 62.276 62.300 -0.066 0.000 1.084 439 V CB 0.666 32.454 31.823 -0.058 0.000 0.953 439 V HN 0.737 nan 8.190 nan 0.000 0.483 440 E N 3.802 123.980 120.200 -0.036 0.000 2.354 440 E HA 0.227 4.578 4.350 0.001 0.000 0.269 440 E C -0.256 176.307 176.600 -0.061 0.000 1.036 440 E CA -0.280 56.097 56.400 -0.039 0.000 0.876 440 E CB 0.762 30.444 29.700 -0.030 0.000 1.009 440 E HN 0.690 nan 8.360 nan 0.000 0.416 441 Q N 2.456 122.213 119.800 -0.072 0.000 2.194 441 Q HA 0.568 4.909 4.340 0.001 0.000 0.245 441 Q C -0.077 175.842 176.000 -0.135 0.000 0.993 441 Q CA -0.779 54.958 55.803 -0.110 0.000 0.930 441 Q CB 1.408 30.088 28.738 -0.097 0.000 1.238 441 Q HN 0.567 nan 8.270 nan 0.000 0.486 442 I N 0.000 120.451 120.570 -0.198 0.000 2.984 442 I HA 0.000 4.171 4.170 0.001 0.000 0.288 442 I CA 0.000 61.174 61.300 -0.210 0.000 1.566 442 I CB 0.000 37.919 38.000 -0.134 0.000 1.214 442 I HN 0.000 nan 8.210 nan 0.000 0.494