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 2x1n_1_C DATA FIRST_RESID 1 DATA SEQUENCE MENFQKVEKI GEGTYGVVYK ARNKLTGEVV ALKKIRLDTE TEGVPSTAIR DATA SEQUENCE EISLLKELNH PNIVKLLDVI HTENKLYLVF EFLHQDLKKF MDASALTGIP DATA SEQUENCE LPLIKSYLFQ LLQGLAFCHS HRVLHRDLKP QNLLINTEGA IKLADFGLAR DATA SEQUENCE AFGVPVRTYT HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHLR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.317 176.300 0.029 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.469 32.600 -0.219 0.000 1.302 2 E N 0.478 120.673 120.200 -0.009 0.000 2.209 2 E HA -0.051 4.298 4.350 -0.001 0.000 0.196 2 E C 0.972 177.528 176.600 -0.072 0.000 0.993 2 E CA 1.508 57.887 56.400 -0.036 0.000 0.819 2 E CB -0.391 29.286 29.700 -0.039 0.000 0.745 2 E HN 0.488 nan 8.360 nan 0.000 0.477 3 N N -0.358 118.260 118.700 -0.137 0.000 2.398 3 N HA 0.062 4.801 4.740 -0.001 0.000 0.188 3 N C -0.696 174.546 175.510 -0.447 0.000 1.122 3 N CA 0.295 53.158 53.050 -0.311 0.000 0.866 3 N CB 0.258 38.481 38.487 -0.440 0.000 0.970 3 N HN 0.084 nan 8.380 nan 0.000 0.462 4 F N 0.577 120.472 119.950 -0.091 0.000 2.450 4 F HA 0.349 4.876 4.527 -0.001 0.000 0.332 4 F C 0.561 176.305 175.800 -0.094 0.000 1.093 4 F CA -1.066 56.879 58.000 -0.092 0.000 1.003 4 F CB 1.502 40.435 39.000 -0.113 0.000 1.151 4 F HN -0.225 nan 8.300 nan 0.000 0.474 5 Q N 3.500 123.362 119.800 0.104 0.000 2.339 5 Q HA 0.323 4.662 4.340 -0.001 0.000 0.268 5 Q C -1.381 174.630 176.000 0.018 0.000 1.027 5 Q CA -0.686 55.132 55.803 0.025 0.000 0.759 5 Q CB 1.164 29.898 28.738 -0.007 0.000 1.244 5 Q HN 0.501 nan 8.270 nan 0.000 0.464 6 K N 3.223 123.609 120.400 -0.024 0.000 2.412 6 K HA 0.105 4.424 4.320 -0.001 0.000 0.284 6 K C 0.176 176.770 176.600 -0.010 0.000 1.046 6 K CA -0.142 56.118 56.287 -0.046 0.000 0.999 6 K CB 1.036 33.428 32.500 -0.180 0.000 0.941 6 K HN 0.522 nan 8.250 nan 0.000 0.474 7 V N 2.656 122.580 119.914 0.017 0.000 2.391 7 V HA -0.092 4.028 4.120 -0.001 0.000 0.237 7 V C 0.580 176.703 176.094 0.048 0.000 1.046 7 V CA 1.131 63.435 62.300 0.007 0.000 1.053 7 V CB -0.196 31.603 31.823 -0.040 0.000 0.704 7 V HN 0.934 nan 8.190 nan 0.000 0.475 8 E N -0.316 119.941 120.200 0.096 0.000 2.407 8 E HA 0.309 4.659 4.350 -0.001 0.000 0.279 8 E C -1.025 175.691 176.600 0.193 0.000 1.012 8 E CA -0.884 55.594 56.400 0.131 0.000 0.800 8 E CB 1.726 31.456 29.700 0.050 0.000 1.276 8 E HN 0.067 nan 8.360 nan 0.000 0.452 9 K N 2.595 123.065 120.400 0.116 0.000 2.368 9 K HA 0.174 4.493 4.320 -0.001 0.000 0.282 9 K C 0.700 177.228 176.600 -0.121 0.000 1.035 9 K CA -0.115 56.056 56.287 -0.192 0.000 0.973 9 K CB 0.435 32.765 32.500 -0.283 0.000 0.957 9 K HN 0.696 nan 8.250 nan 0.000 0.474 10 I N 0.286 120.772 120.570 -0.140 0.000 4.187 10 I HA 0.375 4.544 4.170 -0.001 0.000 0.326 10 I C 0.640 176.706 176.117 -0.085 0.000 1.302 10 I CA -0.344 60.927 61.300 -0.049 0.000 1.196 10 I CB 0.738 38.772 38.000 0.057 0.000 1.095 10 I HN 0.697 nan 8.210 nan 0.000 0.411 11 G N 1.011 109.721 108.800 -0.150 0.000 2.323 11 G HA2 0.368 4.328 3.960 -0.001 0.000 0.291 11 G HA3 0.368 4.328 3.960 -0.001 0.000 0.291 11 G C -1.971 172.832 174.900 -0.163 0.000 1.278 11 G CA -0.653 44.366 45.100 -0.135 0.000 0.860 11 G HN 0.193 nan 8.290 nan 0.000 0.504 12 E N -0.974 119.147 120.200 -0.131 0.000 2.275 12 E HA 0.569 4.918 4.350 -0.001 0.000 0.270 12 E C 0.386 176.908 176.600 -0.129 0.000 0.882 12 E CA -0.388 55.935 56.400 -0.128 0.000 0.758 12 E CB 2.294 31.935 29.700 -0.098 0.000 1.195 12 E HN 0.756 nan 8.360 nan 0.000 0.419 13 G N -0.004 108.696 108.800 -0.167 0.000 2.945 13 G HA2 0.164 4.124 3.960 -0.001 0.000 0.156 13 G HA3 0.164 4.124 3.960 -0.001 0.000 0.156 13 G C 0.541 175.357 174.900 -0.141 0.000 1.375 13 G CA 0.015 45.001 45.100 -0.189 0.000 1.039 13 G HN 0.515 nan 8.290 nan 0.000 0.586 14 T N -2.769 111.697 114.554 -0.145 0.000 3.244 14 T HA 0.320 4.669 4.350 -0.001 0.000 0.254 14 T C 0.494 175.325 174.700 0.218 0.000 1.024 14 T CA 0.798 62.920 62.100 0.037 0.000 0.920 14 T CB -0.428 68.508 68.868 0.113 0.000 1.042 14 T HN 0.808 nan 8.240 nan 0.000 0.572 15 Y N -2.755 117.548 120.300 0.005 0.000 2.664 15 Y HA 0.551 5.100 4.550 -0.001 0.000 0.312 15 Y C 0.436 176.338 175.900 0.004 0.000 0.914 15 Y CA -0.994 57.111 58.100 0.007 0.000 0.967 15 Y CB -0.052 38.417 38.460 0.016 0.000 1.431 15 Y HN 0.348 nan 8.280 nan 0.000 0.578 16 G N 0.541 109.267 108.800 -0.124 0.000 2.687 16 G HA2 0.518 4.477 3.960 -0.001 0.000 0.291 16 G HA3 0.518 4.477 3.960 -0.001 0.000 0.291 16 G C -1.928 172.909 174.900 -0.104 0.000 1.420 16 G CA -0.482 44.579 45.100 -0.064 0.000 0.796 16 G HN 0.207 nan 8.290 nan 0.000 0.485 17 V N -0.450 119.431 119.914 -0.055 0.000 2.686 17 V HA 0.673 4.792 4.120 -0.001 0.000 0.295 17 V C -0.320 175.701 176.094 -0.123 0.000 1.057 17 V CA -0.321 61.909 62.300 -0.117 0.000 1.012 17 V CB 1.514 33.265 31.823 -0.120 0.000 1.006 17 V HN 0.576 nan 8.190 nan 0.000 0.477 18 V N 6.570 126.337 119.914 -0.245 0.000 2.604 18 V HA 0.548 4.667 4.120 -0.001 0.000 0.305 18 V C -1.164 174.745 176.094 -0.308 0.000 1.043 18 V CA -0.677 61.542 62.300 -0.135 0.000 0.888 18 V CB 1.569 33.343 31.823 -0.083 0.000 0.995 18 V HN 0.824 nan 8.190 nan 0.000 0.429 19 Y N 1.715 122.048 120.300 0.055 0.000 2.485 19 Y HA 0.522 5.071 4.550 -0.001 0.000 0.345 19 Y C 0.236 176.164 175.900 0.048 0.000 0.998 19 Y CA -0.949 57.177 58.100 0.044 0.000 1.059 19 Y CB 1.810 40.292 38.460 0.037 0.000 1.234 19 Y HN 0.516 nan 8.280 nan 0.000 0.461 20 K N 1.843 122.337 120.400 0.157 0.000 2.298 20 K HA 0.755 5.075 4.320 -0.001 0.000 0.280 20 K C -1.009 175.587 176.600 -0.007 0.000 1.032 20 K CA -0.116 56.159 56.287 -0.019 0.000 0.958 20 K CB 0.409 32.767 32.500 -0.238 0.000 0.978 20 K HN 0.827 nan 8.250 nan 0.000 0.472 21 A N 4.004 126.804 122.820 -0.034 0.000 2.587 21 A HA 0.611 4.930 4.320 -0.001 0.000 0.293 21 A C -1.534 176.078 177.584 0.047 0.000 1.087 21 A CA -1.134 50.922 52.037 0.031 0.000 0.692 21 A CB 1.268 20.315 19.000 0.078 0.000 1.291 21 A HN 0.891 nan 8.150 nan 0.000 0.407 22 R N 1.270 121.817 120.500 0.078 0.000 2.621 22 R HA 0.519 4.859 4.340 -0.001 0.000 0.292 22 R C -0.915 175.417 176.300 0.054 0.000 0.969 22 R CA -0.925 55.212 56.100 0.062 0.000 0.887 22 R CB 1.278 31.571 30.300 -0.012 0.000 1.180 22 R HN 0.540 nan 8.270 nan 0.000 0.450 23 N N 2.366 121.058 118.700 -0.013 0.000 2.416 23 N HA -0.009 4.730 4.740 -0.001 0.000 0.265 23 N C 0.093 175.496 175.510 -0.179 0.000 1.195 23 N CA 0.184 53.080 53.050 -0.257 0.000 0.943 23 N CB 0.992 39.331 38.487 -0.247 0.000 1.115 23 N HN 0.619 nan 8.380 nan 0.000 0.481 24 K N 3.081 123.358 120.400 -0.205 0.000 2.211 24 K HA -0.028 4.291 4.320 -0.001 0.000 0.203 24 K C 1.426 177.954 176.600 -0.121 0.000 1.050 24 K CA 0.924 57.132 56.287 -0.131 0.000 0.945 24 K CB 0.345 32.773 32.500 -0.120 0.000 0.732 24 K HN 0.504 nan 8.250 nan 0.000 0.451 25 L N 0.027 121.156 121.223 -0.156 0.000 2.145 25 L HA -0.061 4.278 4.340 -0.001 0.000 0.201 25 L C 2.597 179.411 176.870 -0.093 0.000 1.075 25 L CA 1.303 56.072 54.840 -0.119 0.000 0.773 25 L CB -0.406 41.572 42.059 -0.134 0.000 0.936 25 L HN 0.283 nan 8.230 nan 0.000 0.451 26 T N -4.418 110.074 114.554 -0.103 0.000 3.040 26 T HA 0.226 4.575 4.350 -0.001 0.000 0.252 26 T C 1.504 176.177 174.700 -0.045 0.000 1.064 26 T CA 0.725 62.786 62.100 -0.065 0.000 1.110 26 T CB 0.793 69.628 68.868 -0.056 0.000 0.921 26 T HN 0.427 nan 8.240 nan 0.000 0.480 27 G N 1.341 110.110 108.800 -0.052 0.000 2.213 27 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.236 27 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.236 27 G C -0.092 174.803 174.900 -0.008 0.000 0.991 27 G CA 0.159 45.240 45.100 -0.031 0.000 0.629 27 G HN 0.891 nan 8.290 nan 0.000 0.517 28 E N 0.965 121.168 120.200 0.005 0.000 2.465 28 E HA 0.345 4.694 4.350 -0.001 0.000 0.260 28 E C 0.273 176.913 176.600 0.067 0.000 0.980 28 E CA -0.239 56.187 56.400 0.044 0.000 0.927 28 E CB 0.588 30.326 29.700 0.063 0.000 0.934 28 E HN 0.160 nan 8.360 nan 0.000 0.459 29 V N 6.107 126.059 119.914 0.063 0.000 2.498 29 V HA 0.229 4.348 4.120 -0.001 0.000 0.279 29 V C 0.386 176.553 176.094 0.122 0.000 1.048 29 V CA -0.168 62.149 62.300 0.028 0.000 0.967 29 V CB 0.936 32.709 31.823 -0.084 0.000 0.988 29 V HN 0.584 nan 8.190 nan 0.000 0.473 30 V N 2.418 122.402 119.914 0.116 0.000 3.164 30 V HA 1.039 5.158 4.120 -0.001 0.000 0.313 30 V C -0.232 175.986 176.094 0.208 0.000 1.188 30 V CA -0.986 61.431 62.300 0.195 0.000 1.058 30 V CB 2.117 34.038 31.823 0.164 0.000 1.110 30 V HN 0.994 nan 8.190 nan 0.000 0.453 31 A N 1.844 124.823 122.820 0.264 0.000 2.310 31 A HA 0.804 5.123 4.320 -0.001 0.000 0.304 31 A C -0.749 176.978 177.584 0.239 0.000 1.231 31 A CA -0.519 51.689 52.037 0.285 0.000 0.799 31 A CB 0.451 19.645 19.000 0.322 0.000 1.162 31 A HN 0.910 nan 8.150 nan 0.000 0.486 32 L N 2.757 124.087 121.223 0.179 0.000 2.255 32 L HA 0.357 4.696 4.340 -0.001 0.000 0.289 32 L C 0.445 177.468 176.870 0.255 0.000 1.046 32 L CA -0.309 54.624 54.840 0.155 0.000 0.816 32 L CB 1.165 43.275 42.059 0.086 0.000 1.197 32 L HN 0.721 nan 8.230 nan 0.000 0.427 33 K N 5.103 125.654 120.400 0.252 0.000 2.267 33 K HA 0.227 4.546 4.320 -0.001 0.000 0.282 33 K C -0.434 176.244 176.600 0.130 0.000 1.078 33 K CA -0.550 55.850 56.287 0.190 0.000 0.903 33 K CB 0.730 33.370 32.500 0.234 0.000 1.111 33 K HN 0.359 nan 8.250 nan 0.000 0.475 34 K N 6.234 126.686 120.400 0.087 0.000 2.240 34 K HA 0.287 4.607 4.320 -0.001 0.000 0.271 34 K C -1.032 175.518 176.600 -0.084 0.000 1.018 34 K CA -0.587 55.630 56.287 -0.118 0.000 0.874 34 K CB 0.654 33.129 32.500 -0.042 0.000 1.098 34 K HN 0.542 nan 8.250 nan 0.000 0.458 35 I N 4.194 124.691 120.570 -0.122 0.000 2.378 35 I HA 0.366 4.535 4.170 -0.001 0.000 0.291 35 I C -0.033 176.037 176.117 -0.079 0.000 0.992 35 I CA -1.030 60.267 61.300 -0.004 0.000 1.154 35 I CB 1.713 39.780 38.000 0.111 0.000 1.315 35 I HN 0.452 nan 8.210 nan 0.000 0.448 36 R N 6.058 126.537 120.500 -0.036 0.000 2.401 36 R HA 0.414 4.753 4.340 -0.001 0.000 0.299 36 R C -0.774 175.515 176.300 -0.017 0.000 1.064 36 R CA 0.005 56.085 56.100 -0.033 0.000 1.000 36 R CB 0.469 30.767 30.300 -0.004 0.000 0.973 36 R HN 0.571 nan 8.270 nan 0.000 0.438 37 L N 4.838 126.047 121.223 -0.023 0.000 2.495 37 L HA 0.188 4.528 4.340 -0.001 0.000 0.248 37 L C 0.057 176.922 176.870 -0.009 0.000 1.229 37 L CA -0.502 54.331 54.840 -0.012 0.000 0.942 37 L CB 0.405 42.456 42.059 -0.014 0.000 1.242 37 L HN 0.763 nan 8.230 nan 0.000 0.484 38 D N 0.050 120.448 120.400 -0.004 0.000 2.197 38 D HA 0.099 4.738 4.640 -0.001 0.000 0.290 38 D C 0.462 176.760 176.300 -0.003 0.000 1.145 38 D CA -0.107 53.892 54.000 -0.002 0.000 1.061 38 D CB 0.461 41.262 40.800 0.003 0.000 1.151 38 D HN 0.166 nan 8.370 nan 0.000 0.504 39 T N -1.857 112.696 114.554 -0.001 0.000 2.949 39 T HA 0.420 4.770 4.350 -0.001 0.000 0.300 39 T C -0.459 174.241 174.700 -0.000 0.000 0.988 39 T CA -0.236 61.863 62.100 -0.002 0.000 0.993 39 T CB 1.230 70.097 68.868 -0.002 0.000 0.984 39 T HN 0.512 nan 8.240 nan 0.000 0.442 40 E N 1.617 121.817 120.200 -0.000 0.000 3.393 40 E HA -0.097 4.252 4.350 -0.001 0.000 0.170 40 E C 0.559 177.161 176.600 0.002 0.000 0.577 40 E CA 1.530 57.931 56.400 0.001 0.000 2.836 40 E CB -1.517 28.184 29.700 0.003 0.000 1.541 40 E HN 0.872 nan 8.360 nan 0.000 0.753 41 T N -0.168 114.387 114.554 0.002 0.000 2.895 41 T HA 0.116 4.465 4.350 -0.001 0.000 0.386 41 T C 0.967 175.667 174.700 0.000 0.000 1.112 41 T CA 0.338 62.440 62.100 0.002 0.000 1.070 41 T CB 0.073 68.944 68.868 0.004 0.000 1.319 41 T HN -0.016 nan 8.240 nan 0.000 0.519 42 E N 0.743 120.942 120.200 -0.001 0.000 2.437 42 E HA 0.295 4.644 4.350 -0.001 0.000 0.189 42 E C 1.280 177.876 176.600 -0.007 0.000 1.054 42 E CA 0.562 56.959 56.400 -0.004 0.000 0.874 42 E CB -0.576 29.121 29.700 -0.005 0.000 1.011 42 E HN 0.906 nan 8.360 nan 0.000 0.474 43 G N 0.494 109.290 108.800 -0.006 0.000 2.542 43 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.235 43 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.235 43 G C -0.106 174.787 174.900 -0.011 0.000 1.286 43 G CA -0.342 44.754 45.100 -0.007 0.000 0.904 43 G HN 0.086 nan 8.290 nan 0.000 0.577 44 V N 4.157 124.065 119.914 -0.010 0.000 2.458 44 V HA 0.309 4.428 4.120 -0.001 0.000 0.287 44 V C -0.792 175.269 176.094 -0.056 0.000 1.009 44 V CA 0.052 62.338 62.300 -0.024 0.000 1.091 44 V CB 0.533 32.353 31.823 -0.004 0.000 0.960 44 V HN 0.707 nan 8.190 nan 0.000 0.476 45 P HA 0.082 nan 4.420 nan 0.000 0.269 45 P C 0.933 178.140 177.300 -0.154 0.000 1.215 45 P CA -0.053 62.978 63.100 -0.114 0.000 0.780 45 P CB 0.753 32.365 31.700 -0.146 0.000 0.898 46 S N 0.691 116.329 115.700 -0.103 0.000 2.402 46 S HA -0.165 4.304 4.470 -0.001 0.000 0.229 46 S C 1.738 176.267 174.600 -0.118 0.000 1.021 46 S CA 1.699 59.849 58.200 -0.082 0.000 0.974 46 S CB -1.850 61.331 63.200 -0.032 0.000 0.800 46 S HN 0.657 nan 8.310 nan 0.000 0.484 47 T N 0.469 114.918 114.554 -0.175 0.000 2.759 47 T HA 0.060 4.409 4.350 -0.001 0.000 0.269 47 T C 1.951 176.363 174.700 -0.480 0.000 1.042 47 T CA 1.196 63.164 62.100 -0.219 0.000 1.140 47 T CB -0.839 67.967 68.868 -0.103 0.000 0.864 47 T HN 0.581 nan 8.240 nan 0.000 0.455 48 A N 1.611 123.977 122.820 -0.757 0.000 1.898 48 A HA 0.193 4.512 4.320 -0.001 0.000 0.214 48 A C 2.400 179.860 177.584 -0.206 0.000 1.183 48 A CA 0.843 52.501 52.037 -0.632 0.000 0.622 48 A CB -0.554 18.115 19.000 -0.551 0.000 0.824 48 A HN 0.438 nan 8.150 nan 0.000 0.444 49 I N 0.096 120.571 120.570 -0.158 0.000 2.163 49 I HA -0.248 3.922 4.170 -0.001 0.000 0.243 49 I C 2.591 178.687 176.117 -0.034 0.000 1.085 49 I CA 1.684 62.940 61.300 -0.073 0.000 1.347 49 I CB -1.239 36.728 38.000 -0.054 0.000 1.044 49 I HN 0.360 nan 8.210 nan 0.000 0.408 50 R N 0.278 120.765 120.500 -0.023 0.000 2.062 50 R HA -0.163 4.176 4.340 -0.001 0.000 0.229 50 R C 2.245 178.585 176.300 0.066 0.000 1.128 50 R CA 1.305 57.422 56.100 0.029 0.000 0.960 50 R CB -0.326 30.000 30.300 0.043 0.000 0.855 50 R HN 0.396 nan 8.270 nan 0.000 0.432 51 E N 0.993 121.251 120.200 0.097 0.000 2.085 51 E HA -0.204 4.146 4.350 -0.001 0.000 0.194 51 E C 1.838 178.499 176.600 0.103 0.000 0.994 51 E CA 1.323 57.830 56.400 0.179 0.000 0.801 51 E CB -0.018 29.874 29.700 0.321 0.000 0.743 51 E HN 0.273 nan 8.360 nan 0.000 0.453 52 I N 0.844 121.447 120.570 0.055 0.000 2.202 52 I HA -0.258 3.911 4.170 -0.001 0.000 0.242 52 I C 2.656 178.759 176.117 -0.022 0.000 1.091 52 I CA 1.338 62.636 61.300 -0.003 0.000 1.368 52 I CB -0.341 37.634 38.000 -0.041 0.000 1.058 52 I HN 0.185 nan 8.210 nan 0.000 0.410 53 S N 1.209 116.902 115.700 -0.012 0.000 2.371 53 S HA -0.044 4.425 4.470 -0.001 0.000 0.224 53 S C 1.982 176.576 174.600 -0.009 0.000 1.029 53 S CA 0.782 58.974 58.200 -0.014 0.000 0.978 53 S CB -0.791 62.407 63.200 -0.004 0.000 0.833 53 S HN 0.372 nan 8.310 nan 0.000 0.466 54 L N -0.028 121.198 121.223 0.006 0.000 2.131 54 L HA 0.101 4.441 4.340 -0.001 0.000 0.206 54 L C 2.479 179.305 176.870 -0.074 0.000 1.087 54 L CA 0.537 55.380 54.840 0.006 0.000 0.767 54 L CB -0.484 41.623 42.059 0.081 0.000 0.917 54 L HN 0.272 nan 8.230 nan 0.000 0.441 55 L N 0.723 121.875 121.223 -0.119 0.000 2.217 55 L HA -0.151 4.188 4.340 -0.001 0.000 0.211 55 L C 2.437 179.233 176.870 -0.125 0.000 1.107 55 L CA 1.614 56.327 54.840 -0.213 0.000 0.783 55 L CB -0.544 41.417 42.059 -0.164 0.000 0.919 55 L HN 0.294 nan 8.230 nan 0.000 0.442 56 K N -1.545 118.808 120.400 -0.077 0.000 2.487 56 K HA -0.026 4.293 4.320 -0.001 0.000 0.192 56 K C 1.322 177.899 176.600 -0.039 0.000 1.027 56 K CA 0.793 57.045 56.287 -0.059 0.000 1.054 56 K CB -0.046 32.421 32.500 -0.055 0.000 0.824 56 K HN 0.334 nan 8.250 nan 0.000 0.510 57 E N 0.776 120.956 120.200 -0.035 0.000 2.276 57 E HA 0.117 4.466 4.350 -0.001 0.000 0.193 57 E C -0.117 176.477 176.600 -0.011 0.000 0.983 57 E CA 0.055 56.449 56.400 -0.010 0.000 0.861 57 E CB 0.302 30.006 29.700 0.007 0.000 0.817 57 E HN 0.278 nan 8.360 nan 0.000 0.485 58 L N 2.483 123.683 121.223 -0.039 0.000 2.270 58 L HA 0.259 4.599 4.340 -0.001 0.000 0.286 58 L C -0.081 176.751 176.870 -0.064 0.000 1.059 58 L CA -0.302 54.535 54.840 -0.005 0.000 0.839 58 L CB 0.436 42.463 42.059 -0.053 0.000 1.221 58 L HN -0.015 nan 8.230 nan 0.000 0.431 59 N N 3.409 122.075 118.700 -0.057 0.000 2.518 59 N HA 0.304 5.043 4.740 -0.001 0.000 0.254 59 N C -1.467 173.843 175.510 -0.334 0.000 0.979 59 N CA -0.476 52.492 53.050 -0.137 0.000 0.930 59 N CB 0.991 39.442 38.487 -0.060 0.000 1.152 59 N HN 0.650 nan 8.380 nan 0.000 0.505 60 H N 2.831 121.614 119.070 -0.479 0.000 3.112 60 H HA 0.284 4.839 4.556 -0.001 0.000 0.347 60 H C -2.179 172.951 175.328 -0.330 0.000 1.188 60 H CA -0.876 54.810 56.048 -0.603 0.000 1.240 60 H CB 1.943 31.084 29.762 -1.036 0.000 1.920 60 H HN 0.296 nan 8.280 nan 0.000 0.535 61 P HA -0.095 nan 4.420 nan 0.000 0.218 61 P C -0.120 177.106 177.300 -0.124 0.000 1.146 61 P CA 1.465 64.382 63.100 -0.306 0.000 0.813 61 P CB 0.185 31.661 31.700 -0.373 0.000 0.778 62 N N -1.262 117.473 118.700 0.058 0.000 2.276 62 N HA 0.200 4.939 4.740 -0.001 0.000 0.212 62 N C -0.117 175.427 175.510 0.057 0.000 1.127 62 N CA -0.076 53.025 53.050 0.085 0.000 0.834 62 N CB 0.129 38.685 38.487 0.114 0.000 1.014 62 N HN 0.151 nan 8.380 nan 0.000 0.491 63 I N 1.010 121.602 120.570 0.037 0.000 2.466 63 I HA 0.238 4.407 4.170 -0.001 0.000 0.289 63 I C -0.074 176.034 176.117 -0.015 0.000 1.026 63 I CA -1.288 60.023 61.300 0.020 0.000 1.078 63 I CB 2.003 39.985 38.000 -0.030 0.000 1.249 63 I HN -0.222 nan 8.210 nan 0.000 0.429 64 V N 4.345 124.266 119.914 0.012 0.000 2.843 64 V HA -0.075 4.044 4.120 -0.001 0.000 0.305 64 V C 0.464 176.589 176.094 0.051 0.000 1.120 64 V CA -0.106 62.206 62.300 0.020 0.000 1.254 64 V CB -0.161 31.669 31.823 0.013 0.000 0.901 64 V HN 0.725 nan 8.190 nan 0.000 0.503 65 K N 3.601 124.050 120.400 0.082 0.000 2.268 65 K HA 0.422 4.741 4.320 -0.001 0.000 0.276 65 K C -0.678 175.994 176.600 0.120 0.000 1.080 65 K CA -0.840 55.482 56.287 0.058 0.000 0.910 65 K CB 0.877 33.392 32.500 0.025 0.000 1.163 65 K HN 0.632 nan 8.250 nan 0.000 0.465 66 L N 6.474 127.734 121.223 0.062 0.000 2.485 66 L HA 0.105 4.444 4.340 -0.001 0.000 0.279 66 L C 0.254 177.057 176.870 -0.112 0.000 1.124 66 L CA 0.502 55.276 54.840 -0.110 0.000 0.888 66 L CB 0.295 42.258 42.059 -0.159 0.000 1.217 66 L HN 0.832 nan 8.230 nan 0.000 0.464 67 L N 2.841 123.995 121.223 -0.115 0.000 2.168 67 L HA 0.274 4.614 4.340 -0.001 0.000 0.203 67 L C 0.147 176.981 176.870 -0.060 0.000 1.078 67 L CA 0.467 55.277 54.840 -0.049 0.000 0.780 67 L CB 0.003 42.065 42.059 0.005 0.000 0.939 67 L HN 0.683 nan 8.230 nan 0.000 0.451 68 D N -2.090 118.246 120.400 -0.107 0.000 2.663 68 D HA 0.318 4.957 4.640 -0.001 0.000 0.233 68 D C -1.425 174.803 176.300 -0.121 0.000 1.240 68 D CA -0.272 53.681 54.000 -0.078 0.000 0.774 68 D CB 2.316 43.112 40.800 -0.006 0.000 1.443 68 D HN -0.322 nan 8.370 nan 0.000 0.441 69 V N 3.172 123.031 119.914 -0.092 0.000 2.350 69 V HA 0.467 4.586 4.120 -0.001 0.000 0.285 69 V C 0.130 176.211 176.094 -0.022 0.000 1.014 69 V CA -0.602 61.645 62.300 -0.090 0.000 0.831 69 V CB 1.045 32.784 31.823 -0.140 0.000 1.000 69 V HN 0.467 nan 8.190 nan 0.000 0.433 70 I N 4.591 125.191 120.570 0.049 0.000 2.331 70 I HA 0.386 4.555 4.170 -0.001 0.000 0.292 70 I C -0.326 175.934 176.117 0.238 0.000 0.998 70 I CA -0.342 61.033 61.300 0.126 0.000 1.267 70 I CB 0.834 38.895 38.000 0.103 0.000 1.386 70 I HN 0.551 nan 8.210 nan 0.000 0.476 71 H N 4.806 123.924 119.070 0.080 0.000 2.638 71 H HA 0.557 5.113 4.556 -0.001 0.000 0.317 71 H C -0.802 174.567 175.328 0.068 0.000 1.006 71 H CA -0.356 55.730 56.048 0.063 0.000 1.222 71 H CB 1.178 30.961 29.762 0.035 0.000 1.419 71 H HN 0.549 nan 8.280 nan 0.000 0.489 72 T N 2.520 117.108 114.554 0.056 0.000 2.864 72 T HA 0.160 4.509 4.350 -0.001 0.000 0.289 72 T C 1.255 175.913 174.700 -0.069 0.000 1.082 72 T CA -0.811 61.295 62.100 0.010 0.000 1.009 72 T CB 2.018 70.947 68.868 0.101 0.000 1.234 72 T HN 0.558 nan 8.240 nan 0.000 0.526 73 E N 0.884 121.058 120.200 -0.044 0.000 2.033 73 E HA -0.224 4.125 4.350 -0.001 0.000 0.199 73 E C 1.075 177.655 176.600 -0.034 0.000 1.011 73 E CA 2.009 58.381 56.400 -0.048 0.000 0.815 73 E CB -0.005 29.682 29.700 -0.021 0.000 0.755 73 E HN 0.586 nan 8.360 nan 0.000 0.451 74 N N -0.331 118.366 118.700 -0.005 0.000 2.171 74 N HA 0.041 4.781 4.740 -0.001 0.000 0.212 74 N C -0.698 174.809 175.510 -0.005 0.000 1.184 74 N CA 0.026 53.074 53.050 -0.003 0.000 0.888 74 N CB 0.589 39.080 38.487 0.006 0.000 1.038 74 N HN -0.045 nan 8.380 nan 0.000 0.517 75 K N 0.136 120.539 120.400 0.005 0.000 2.532 75 K HA 0.502 4.822 4.320 -0.001 0.000 0.265 75 K C -1.761 174.819 176.600 -0.034 0.000 0.948 75 K CA -0.879 55.368 56.287 -0.066 0.000 0.842 75 K CB 2.221 34.636 32.500 -0.142 0.000 1.392 75 K HN -0.019 nan 8.250 nan 0.000 0.436 76 L N 1.675 122.813 121.223 -0.142 0.000 2.376 76 L HA 0.486 4.826 4.340 -0.001 0.000 0.275 76 L C -1.925 174.862 176.870 -0.139 0.000 0.987 76 L CA -0.445 54.395 54.840 0.000 0.000 0.828 76 L CB 0.965 43.068 42.059 0.074 0.000 1.249 76 L HN 0.569 nan 8.230 nan 0.000 0.409 77 Y N 5.137 125.464 120.300 0.046 0.000 2.352 77 Y HA 0.623 5.172 4.550 -0.001 0.000 0.339 77 Y C -0.444 175.421 175.900 -0.058 0.000 0.992 77 Y CA -0.761 57.337 58.100 -0.003 0.000 1.100 77 Y CB 1.807 40.235 38.460 -0.053 0.000 1.192 77 Y HN 0.389 nan 8.280 nan 0.000 0.458 78 L N 4.489 125.745 121.223 0.055 0.000 2.287 78 L HA 0.542 4.882 4.340 -0.001 0.000 0.287 78 L C -0.863 175.848 176.870 -0.265 0.000 1.022 78 L CA -1.093 53.647 54.840 -0.166 0.000 0.814 78 L CB 1.112 43.039 42.059 -0.220 0.000 1.217 78 L HN 0.326 nan 8.230 nan 0.000 0.420 79 V N 3.748 123.459 119.914 -0.338 0.000 2.348 79 V HA 0.354 4.474 4.120 -0.001 0.000 0.270 79 V C -0.059 175.853 176.094 -0.303 0.000 1.037 79 V CA -0.191 61.949 62.300 -0.267 0.000 0.872 79 V CB 0.389 32.067 31.823 -0.242 0.000 1.002 79 V HN 0.396 nan 8.190 nan 0.000 0.464 80 F N 2.215 122.168 119.950 0.005 0.000 2.450 80 F HA 0.483 5.009 4.527 -0.001 0.000 0.328 80 F C 0.922 176.755 175.800 0.055 0.000 1.068 80 F CA -1.027 56.987 58.000 0.024 0.000 1.007 80 F CB 1.055 40.069 39.000 0.023 0.000 1.251 80 F HN 0.597 nan 8.300 nan 0.000 0.492 81 E N 0.847 121.204 120.200 0.262 0.000 2.392 81 E HA 0.105 4.454 4.350 -0.001 0.000 0.264 81 E C -1.201 175.526 176.600 0.212 0.000 1.024 81 E CA -0.419 56.095 56.400 0.190 0.000 0.903 81 E CB 0.742 30.512 29.700 0.117 0.000 0.963 81 E HN 0.524 nan 8.360 nan 0.000 0.432 82 F N 3.406 123.401 119.950 0.074 0.000 2.420 82 F HA 0.326 4.852 4.527 -0.001 0.000 0.352 82 F C -1.111 174.707 175.800 0.031 0.000 1.108 82 F CA -0.647 57.383 58.000 0.050 0.000 1.162 82 F CB 0.480 39.510 39.000 0.050 0.000 1.118 82 F HN 0.398 nan 8.300 nan 0.000 0.510 83 L N 5.551 126.318 121.223 -0.761 0.000 2.322 83 L HA 0.297 4.637 4.340 -0.001 0.000 0.269 83 L C 0.963 177.198 176.870 -1.058 0.000 1.012 83 L CA -0.499 53.938 54.840 -0.672 0.000 0.815 83 L CB 1.449 43.301 42.059 -0.344 0.000 1.295 83 L HN 0.714 nan 8.230 nan 0.000 0.438 84 H N 0.393 119.113 119.070 -0.583 0.000 2.321 84 H HA -0.041 4.514 4.556 -0.001 0.000 0.300 84 H C 0.127 175.311 175.328 -0.241 0.000 1.087 84 H CA 1.936 57.778 56.048 -0.343 0.000 1.319 84 H CB 0.464 30.141 29.762 -0.142 0.000 1.379 84 H HN 0.627 nan 8.280 nan 0.000 0.501 85 Q N -0.415 119.315 119.800 -0.116 0.000 2.841 85 Q HA 0.185 4.525 4.340 -0.001 0.000 0.309 85 Q C -1.594 174.352 176.000 -0.091 0.000 0.868 85 Q CA -0.682 55.066 55.803 -0.091 0.000 0.760 85 Q CB 1.425 30.184 28.738 0.035 0.000 1.454 85 Q HN 0.287 nan 8.270 nan 0.000 0.449 86 D N -0.152 120.216 120.400 -0.054 0.000 2.432 86 D HA 0.226 4.865 4.640 -0.001 0.000 0.258 86 D C 0.596 176.900 176.300 0.005 0.000 1.146 86 D CA -0.788 53.177 54.000 -0.059 0.000 1.015 86 D CB 0.884 41.648 40.800 -0.060 0.000 1.107 86 D HN 0.565 nan 8.370 nan 0.000 0.529 87 L N -0.468 120.749 121.223 -0.011 0.000 2.027 87 L HA -0.108 4.231 4.340 -0.001 0.000 0.206 87 L C 2.232 179.182 176.870 0.133 0.000 1.074 87 L CA 1.052 55.940 54.840 0.078 0.000 0.745 87 L CB -0.309 41.755 42.059 0.008 0.000 0.898 87 L HN 0.467 nan 8.230 nan 0.000 0.433 88 K N 0.587 121.027 120.400 0.066 0.000 2.089 88 K HA -0.260 4.059 4.320 -0.001 0.000 0.210 88 K C 2.047 178.699 176.600 0.086 0.000 1.048 88 K CA 1.692 58.022 56.287 0.071 0.000 0.926 88 K CB -0.028 32.497 32.500 0.042 0.000 0.714 88 K HN 0.147 nan 8.250 nan 0.000 0.448 89 K N -0.379 120.079 120.400 0.098 0.000 2.062 89 K HA -0.065 4.254 4.320 -0.001 0.000 0.205 89 K C 1.867 178.568 176.600 0.170 0.000 1.051 89 K CA 0.875 57.228 56.287 0.109 0.000 0.941 89 K CB -0.475 32.084 32.500 0.099 0.000 0.719 89 K HN 0.083 nan 8.250 nan 0.000 0.440 90 F N 0.739 120.721 119.950 0.053 0.000 2.216 90 F HA -0.085 4.441 4.527 -0.001 0.000 0.300 90 F C 1.759 177.607 175.800 0.080 0.000 1.085 90 F CA 1.330 59.377 58.000 0.079 0.000 1.326 90 F CB -0.100 38.956 39.000 0.094 0.000 1.027 90 F HN -0.038 nan 8.300 nan 0.000 0.497 91 M N -0.175 119.416 119.600 -0.015 0.000 2.099 91 M HA -0.187 4.292 4.480 -0.001 0.000 0.262 91 M C 1.822 178.065 176.300 -0.094 0.000 1.067 91 M CA 1.759 56.996 55.300 -0.105 0.000 1.124 91 M CB -0.479 32.131 32.600 0.017 0.000 1.353 91 M HN -0.052 nan 8.290 nan 0.000 0.410 92 D N 0.458 120.846 120.400 -0.020 0.000 2.144 92 D HA -0.105 4.535 4.640 -0.001 0.000 0.199 92 D C 1.884 178.169 176.300 -0.025 0.000 0.984 92 D CA 1.613 55.609 54.000 -0.007 0.000 0.834 92 D CB -0.205 40.610 40.800 0.025 0.000 0.955 92 D HN 0.359 nan 8.370 nan 0.000 0.465 93 A N 0.114 122.920 122.820 -0.024 0.000 2.016 93 A HA -0.011 4.309 4.320 -0.001 0.000 0.217 93 A C 2.111 179.644 177.584 -0.085 0.000 1.162 93 A CA 0.902 52.932 52.037 -0.011 0.000 0.662 93 A CB 0.067 19.110 19.000 0.072 0.000 0.812 93 A HN 0.101 nan 8.150 nan 0.000 0.450 94 S N -0.285 115.284 115.700 -0.217 0.000 2.557 94 S HA 0.511 4.981 4.470 -0.001 0.000 0.223 94 S C 0.863 175.356 174.600 -0.179 0.000 0.969 94 S CA 0.113 58.147 58.200 -0.276 0.000 0.927 94 S CB -0.091 62.749 63.200 -0.600 0.000 0.806 94 S HN 0.718 nan 8.310 nan 0.000 0.489 95 A N 1.395 124.143 122.820 -0.120 0.000 2.448 95 A HA 0.496 4.816 4.320 -0.001 0.000 0.239 95 A C 1.403 178.946 177.584 -0.068 0.000 1.080 95 A CA 0.357 52.347 52.037 -0.080 0.000 0.779 95 A CB -0.347 18.623 19.000 -0.049 0.000 1.026 95 A HN 1.164 nan 8.150 nan 0.000 0.499 96 L N -1.250 119.938 121.223 -0.059 0.000 3.530 96 L HA -0.369 3.971 4.340 -0.001 0.000 0.357 96 L C 1.524 178.360 176.870 -0.057 0.000 2.051 96 L CA 3.496 58.306 54.840 -0.052 0.000 2.804 96 L CB -2.644 39.391 42.059 -0.041 0.000 1.640 96 L HN 1.109 nan 8.230 nan 0.000 0.757 97 T N -1.639 112.875 114.554 -0.066 0.000 2.812 97 T HA 0.437 4.786 4.350 -0.001 0.000 0.264 97 T C 1.536 176.193 174.700 -0.072 0.000 1.042 97 T CA 1.413 63.471 62.100 -0.070 0.000 1.140 97 T CB -0.843 67.976 68.868 -0.083 0.000 0.870 97 T HN 2.433 nan 8.240 nan 0.000 0.445 98 G N 0.920 109.668 108.800 -0.088 0.000 2.785 98 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.686 98 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.686 98 G C -0.630 174.215 174.900 -0.092 0.000 1.155 98 G CA -0.614 44.438 45.100 -0.082 0.000 0.760 98 G HN 0.674 nan 8.290 nan 0.000 0.624 99 I N 3.432 123.947 120.570 -0.091 0.000 2.452 99 I HA 0.171 4.341 4.170 -0.001 0.000 0.287 99 I C -1.407 174.715 176.117 0.009 0.000 1.079 99 I CA -1.523 59.748 61.300 -0.047 0.000 1.387 99 I CB 0.867 38.874 38.000 0.013 0.000 1.404 99 I HN 0.250 nan 8.210 nan 0.000 0.522 100 P HA -0.077 nan 4.420 nan 0.000 0.263 100 P C 0.896 178.213 177.300 0.027 0.000 1.175 100 P CA -0.153 62.956 63.100 0.015 0.000 0.761 100 P CB 0.552 32.260 31.700 0.012 0.000 0.794 101 L N 5.308 126.552 121.223 0.035 0.000 2.013 101 L HA -0.137 4.202 4.340 -0.001 0.000 0.212 101 L C -0.619 176.278 176.870 0.044 0.000 1.073 101 L CA 2.811 57.693 54.840 0.070 0.000 0.753 101 L CB -2.474 39.628 42.059 0.072 0.000 0.890 101 L HN 0.403 nan 8.230 nan 0.000 0.432 102 P HA -0.162 nan 4.420 nan 0.000 0.218 102 P C 1.886 179.141 177.300 -0.075 0.000 1.148 102 P CA 0.950 64.022 63.100 -0.046 0.000 0.822 102 P CB 0.036 31.705 31.700 -0.051 0.000 0.784 103 L N -1.115 120.049 121.223 -0.098 0.000 2.179 103 L HA -0.021 4.318 4.340 -0.001 0.000 0.208 103 L C 2.117 178.826 176.870 -0.269 0.000 1.096 103 L CA 1.359 56.038 54.840 -0.268 0.000 0.779 103 L CB -0.919 40.981 42.059 -0.264 0.000 0.922 103 L HN -0.136 nan 8.230 nan 0.000 0.443 104 I N -0.387 120.183 120.570 0.001 0.000 2.163 104 I HA -0.348 3.821 4.170 -0.001 0.000 0.243 104 I C 2.520 178.777 176.117 0.233 0.000 1.085 104 I CA 1.736 63.154 61.300 0.197 0.000 1.347 104 I CB -0.420 37.754 38.000 0.290 0.000 1.044 104 I HN 0.297 nan 8.210 nan 0.000 0.408 105 K N 0.488 120.986 120.400 0.162 0.000 2.097 105 K HA -0.179 4.140 4.320 -0.001 0.000 0.205 105 K C 2.346 179.059 176.600 0.187 0.000 1.050 105 K CA 1.602 57.964 56.287 0.126 0.000 0.938 105 K CB -0.053 32.327 32.500 -0.199 0.000 0.718 105 K HN 0.104 nan 8.250 nan 0.000 0.442 106 S N -0.345 115.397 115.700 0.071 0.000 2.368 106 S HA -0.153 4.316 4.470 -0.001 0.000 0.225 106 S C 1.854 176.609 174.600 0.258 0.000 1.030 106 S CA 0.990 59.253 58.200 0.105 0.000 0.999 106 S CB -0.348 62.839 63.200 -0.022 0.000 0.844 106 S HN 0.396 nan 8.310 nan 0.000 0.459 107 Y N 1.013 121.385 120.300 0.119 0.000 2.181 107 Y HA 0.026 4.576 4.550 -0.001 0.000 0.288 107 Y C 2.250 178.194 175.900 0.073 0.000 1.146 107 Y CA 0.553 58.705 58.100 0.086 0.000 1.164 107 Y CB -1.170 37.350 38.460 0.099 0.000 0.982 107 Y HN 0.303 nan 8.280 nan 0.000 0.515 108 L N -1.088 120.305 121.223 0.282 0.000 2.093 108 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 108 L C 2.226 179.145 176.870 0.082 0.000 1.085 108 L CA 1.328 56.266 54.840 0.162 0.000 0.755 108 L CB -1.038 41.072 42.059 0.086 0.000 0.904 108 L HN 0.096 nan 8.230 nan 0.000 0.435 109 F N 0.424 120.292 119.950 -0.137 0.000 2.095 109 F HA -0.280 4.247 4.527 -0.001 0.000 0.298 109 F C 2.464 178.097 175.800 -0.278 0.000 1.104 109 F CA 2.139 59.783 58.000 -0.593 0.000 1.232 109 F CB -0.444 38.248 39.000 -0.513 0.000 0.987 109 F HN 0.240 nan 8.300 nan 0.000 0.475 110 Q N -0.023 119.720 119.800 -0.096 0.000 2.046 110 Q HA -0.175 4.164 4.340 -0.001 0.000 0.200 110 Q C 2.328 178.240 176.000 -0.146 0.000 0.975 110 Q CA 1.881 57.606 55.803 -0.131 0.000 0.836 110 Q CB -0.415 28.338 28.738 0.025 0.000 0.896 110 Q HN 0.443 nan 8.270 nan 0.000 0.428 111 L N 0.333 121.499 121.223 -0.096 0.000 2.127 111 L HA -0.221 4.119 4.340 -0.001 0.000 0.211 111 L C 2.212 178.991 176.870 -0.151 0.000 1.089 111 L CA 0.966 55.739 54.840 -0.111 0.000 0.757 111 L CB -0.332 41.679 42.059 -0.081 0.000 0.899 111 L HN 0.229 nan 8.230 nan 0.000 0.434 112 L N -1.270 119.836 121.223 -0.196 0.000 2.179 112 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 112 L C 2.633 179.356 176.870 -0.245 0.000 1.096 112 L CA 0.883 55.604 54.840 -0.199 0.000 0.779 112 L CB -0.245 41.694 42.059 -0.200 0.000 0.922 112 L HN 0.285 nan 8.230 nan 0.000 0.443 113 Q N -0.509 119.089 119.800 -0.337 0.000 2.119 113 Q HA -0.136 4.203 4.340 -0.001 0.000 0.201 113 Q C 2.226 178.053 176.000 -0.289 0.000 0.972 113 Q CA 1.394 57.033 55.803 -0.274 0.000 0.847 113 Q CB -0.256 28.320 28.738 -0.269 0.000 0.903 113 Q HN 0.588 nan 8.270 nan 0.000 0.433 114 G N 0.562 109.205 108.800 -0.261 0.000 2.408 114 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 114 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 114 G C 1.340 176.121 174.900 -0.198 0.000 1.150 114 G CA 0.171 45.086 45.100 -0.308 0.000 0.776 114 G HN 0.203 nan 8.290 nan 0.000 0.542 115 L N 0.379 121.480 121.223 -0.202 0.000 2.109 115 L HA 0.052 4.392 4.340 -0.001 0.000 0.207 115 L C 3.276 179.939 176.870 -0.345 0.000 1.086 115 L CA 1.096 55.759 54.840 -0.295 0.000 0.760 115 L CB -0.297 41.595 42.059 -0.280 0.000 0.910 115 L HN 0.336 nan 8.230 nan 0.000 0.437 116 A N -0.582 122.133 122.820 -0.174 0.000 1.972 116 A HA -0.283 4.036 4.320 -0.001 0.000 0.219 116 A C 2.063 179.664 177.584 0.029 0.000 1.169 116 A CA 1.395 53.402 52.037 -0.049 0.000 0.635 116 A CB -0.748 18.238 19.000 -0.024 0.000 0.810 116 A HN 0.436 nan 8.150 nan 0.000 0.446 117 F N -0.054 119.790 119.950 -0.177 0.000 2.146 117 F HA -0.189 4.337 4.527 -0.001 0.000 0.298 117 F C 2.514 178.350 175.800 0.061 0.000 1.096 117 F CA 1.636 59.577 58.000 -0.098 0.000 1.275 117 F CB -0.322 38.426 39.000 -0.420 0.000 1.008 117 F HN 0.304 nan 8.300 nan 0.000 0.480 118 C N -0.338 119.073 119.300 0.185 0.000 2.432 118 C HA -0.210 4.249 4.460 -0.001 0.000 0.277 118 C C 2.647 177.822 174.990 0.308 0.000 1.249 118 C CA 1.556 60.716 59.018 0.236 0.000 1.725 118 C CB -1.663 26.215 27.740 0.230 0.000 2.028 118 C HN 0.519 nan 8.230 nan 0.000 0.477 119 H N 0.674 119.879 119.070 0.225 0.000 2.423 119 H HA -0.107 4.449 4.556 -0.001 0.000 0.297 119 H C 2.393 177.831 175.328 0.183 0.000 1.075 119 H CA 1.420 57.649 56.048 0.301 0.000 1.342 119 H CB -0.004 29.900 29.762 0.237 0.000 1.395 119 H HN 0.594 nan 8.280 nan 0.000 0.530 120 S N 0.037 115.838 115.700 0.169 0.000 2.489 120 S HA -0.102 4.367 4.470 -0.001 0.000 0.228 120 S C 0.807 175.244 174.600 -0.272 0.000 0.995 120 S CA 0.629 58.795 58.200 -0.056 0.000 0.934 120 S CB -0.129 62.989 63.200 -0.136 0.000 0.771 120 S HN 0.479 nan 8.310 nan 0.000 0.522 121 H N 1.994 120.966 119.070 -0.163 0.000 2.524 121 H HA 0.409 4.965 4.556 -0.001 0.000 0.297 121 H C 0.270 175.489 175.328 -0.182 0.000 1.115 121 H CA -0.251 55.687 56.048 -0.184 0.000 1.027 121 H CB -0.089 29.552 29.762 -0.202 0.000 1.591 121 H HN 0.465 nan 8.280 nan 0.000 0.543 122 R N -1.559 118.785 120.500 -0.259 0.000 3.387 122 R HA -0.158 4.181 4.340 -0.001 0.000 0.254 122 R C -1.460 174.550 176.300 -0.484 0.000 1.006 122 R CA 0.528 56.117 56.100 -0.853 0.000 0.677 122 R CB -3.084 26.718 30.300 -0.831 0.000 1.063 122 R HN 0.130 nan 8.270 nan 0.000 0.453 123 V N 1.442 121.424 119.914 0.113 0.000 2.378 123 V HA 0.386 4.505 4.120 -0.001 0.000 0.288 123 V C 0.527 176.976 176.094 0.591 0.000 1.016 123 V CA -0.809 61.695 62.300 0.340 0.000 0.840 123 V CB 1.666 33.671 31.823 0.302 0.000 0.994 123 V HN 0.328 nan 8.190 nan 0.000 0.431 124 L N 4.232 125.772 121.223 0.528 0.000 2.312 124 L HA 0.417 4.757 4.340 -0.001 0.000 0.281 124 L C 1.409 178.383 176.870 0.172 0.000 1.070 124 L CA -0.438 54.596 54.840 0.323 0.000 0.805 124 L CB 1.087 43.215 42.059 0.114 0.000 1.174 124 L HN 0.749 nan 8.230 nan 0.000 0.434 125 H N 4.291 123.375 119.070 0.024 0.000 2.355 125 H HA 0.050 4.605 4.556 -0.001 0.000 0.303 125 H C 1.003 176.211 175.328 -0.200 0.000 1.061 125 H CA 1.311 57.233 56.048 -0.209 0.000 1.368 125 H CB 0.580 30.140 29.762 -0.336 0.000 1.412 125 H HN 0.632 nan 8.280 nan 0.000 0.523 126 R N -0.683 119.836 120.500 0.031 0.000 3.862 126 R HA -0.194 4.145 4.340 -0.001 0.000 0.470 126 R C -0.430 175.879 176.300 0.015 0.000 0.879 126 R CA 1.462 57.509 56.100 -0.088 0.000 1.508 126 R CB -1.493 28.595 30.300 -0.353 0.000 2.170 126 R HN 0.329 nan 8.270 nan 0.000 0.496 127 D N 0.415 120.937 120.400 0.203 0.000 2.952 127 D HA 0.279 4.919 4.640 -0.001 0.000 0.373 127 D C -0.658 175.723 176.300 0.135 0.000 1.360 127 D CA -0.158 53.926 54.000 0.140 0.000 0.788 127 D CB 0.367 41.180 40.800 0.021 0.000 1.192 127 D HN 0.076 nan 8.370 nan 0.000 0.462 128 L N 2.036 123.251 121.223 -0.013 0.000 2.361 128 L HA 0.321 4.660 4.340 -0.001 0.000 0.278 128 L C 0.439 177.129 176.870 -0.299 0.000 1.113 128 L CA 0.318 54.995 54.840 -0.271 0.000 0.849 128 L CB 0.279 42.176 42.059 -0.268 0.000 1.155 128 L HN 0.097 nan 8.230 nan 0.000 0.452 129 K N 2.423 122.598 120.400 -0.375 0.000 2.587 129 K HA 0.394 4.713 4.320 -0.001 0.000 0.276 129 K C -2.869 173.518 176.600 -0.355 0.000 0.956 129 K CA -1.593 54.333 56.287 -0.602 0.000 0.857 129 K CB 1.581 33.802 32.500 -0.465 0.000 1.431 129 K HN -0.098 nan 8.250 nan 0.000 0.420 130 P HA -0.203 nan 4.420 nan 0.000 0.216 130 P C 0.693 177.936 177.300 -0.096 0.000 1.150 130 P CA 1.517 64.539 63.100 -0.130 0.000 0.843 130 P CB 0.160 31.846 31.700 -0.022 0.000 0.787 131 Q N -1.391 118.354 119.800 -0.092 0.000 2.364 131 Q HA -0.074 4.265 4.340 -0.001 0.000 0.207 131 Q C 1.264 177.205 176.000 -0.098 0.000 0.970 131 Q CA 1.016 56.773 55.803 -0.076 0.000 0.888 131 Q CB -0.675 28.023 28.738 -0.067 0.000 0.951 131 Q HN 0.268 nan 8.270 nan 0.000 0.469 132 N N -0.626 118.002 118.700 -0.120 0.000 2.236 132 N HA 0.152 4.891 4.740 -0.001 0.000 0.196 132 N C -0.794 174.635 175.510 -0.134 0.000 1.114 132 N CA 0.200 53.184 53.050 -0.111 0.000 0.859 132 N CB 0.638 39.075 38.487 -0.084 0.000 0.982 132 N HN 0.184 nan 8.380 nan 0.000 0.493 133 L N 1.160 122.292 121.223 -0.151 0.000 2.313 133 L HA 0.504 4.843 4.340 -0.001 0.000 0.283 133 L C -0.474 176.293 176.870 -0.171 0.000 1.013 133 L CA -0.573 54.165 54.840 -0.170 0.000 0.816 133 L CB 1.739 43.684 42.059 -0.189 0.000 1.236 133 L HN -0.255 nan 8.230 nan 0.000 0.419 134 L N 5.031 126.145 121.223 -0.182 0.000 2.329 134 L HA 0.660 5.000 4.340 -0.001 0.000 0.279 134 L C -0.242 176.492 176.870 -0.228 0.000 1.014 134 L CA -0.695 54.030 54.840 -0.192 0.000 0.814 134 L CB 2.052 43.999 42.059 -0.188 0.000 1.257 134 L HN 0.564 nan 8.230 nan 0.000 0.424 135 I N -0.313 120.120 120.570 -0.229 0.000 2.846 135 I HA 0.668 4.838 4.170 -0.001 0.000 0.307 135 I C -0.921 175.093 176.117 -0.171 0.000 1.053 135 I CA -0.719 60.434 61.300 -0.246 0.000 1.050 135 I CB 2.138 39.936 38.000 -0.336 0.000 1.239 135 I HN 0.606 nan 8.210 nan 0.000 0.439 136 N N 0.483 119.099 118.700 -0.139 0.000 2.890 136 N HA 0.358 5.098 4.740 -0.001 0.000 0.317 136 N C 0.495 175.917 175.510 -0.147 0.000 1.355 136 N CA -0.210 52.775 53.050 -0.108 0.000 0.803 136 N CB 0.611 39.053 38.487 -0.075 0.000 1.465 136 N HN 0.732 nan 8.380 nan 0.000 0.591 137 T N -3.740 110.719 114.554 -0.157 0.000 3.072 137 T HA 0.051 4.401 4.350 -0.001 0.000 0.266 137 T C 0.551 175.187 174.700 -0.107 0.000 1.127 137 T CA 0.959 62.945 62.100 -0.190 0.000 1.107 137 T CB -0.271 68.482 68.868 -0.191 0.000 0.910 137 T HN 0.508 nan 8.240 nan 0.000 0.513 138 E N 0.919 121.079 120.200 -0.067 0.000 2.442 138 E HA 0.383 4.732 4.350 -0.001 0.000 0.195 138 E C 1.598 178.184 176.600 -0.024 0.000 1.030 138 E CA 0.621 56.998 56.400 -0.040 0.000 0.869 138 E CB -0.060 29.624 29.700 -0.027 0.000 0.857 138 E HN 0.630 nan 8.360 nan 0.000 0.505 139 G N -0.359 108.435 108.800 -0.010 0.000 2.184 139 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.206 139 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.206 139 G C 0.380 175.365 174.900 0.142 0.000 0.995 139 G CA -0.192 44.937 45.100 0.049 0.000 0.651 139 G HN 0.470 nan 8.290 nan 0.000 0.511 140 A N -0.108 122.749 122.820 0.062 0.000 2.371 140 A HA 0.789 5.108 4.320 -0.001 0.000 0.257 140 A C 0.049 177.617 177.584 -0.026 0.000 1.089 140 A CA 0.363 52.420 52.037 0.034 0.000 0.794 140 A CB 0.767 19.754 19.000 -0.023 0.000 1.029 140 A HN 1.395 nan 8.150 nan 0.000 0.488 141 I N 0.749 121.272 120.570 -0.079 0.000 2.582 141 I HA 0.512 4.681 4.170 -0.001 0.000 0.292 141 I C -0.877 175.152 176.117 -0.147 0.000 1.066 141 I CA -0.574 60.579 61.300 -0.244 0.000 1.053 141 I CB 1.743 39.437 38.000 -0.510 0.000 1.241 141 I HN 0.675 nan 8.210 nan 0.000 0.421 142 K N 7.522 127.833 120.400 -0.149 0.000 2.427 142 K HA 0.516 4.835 4.320 -0.001 0.000 0.252 142 K C -1.334 175.223 176.600 -0.073 0.000 0.931 142 K CA -0.832 55.403 56.287 -0.086 0.000 0.793 142 K CB 2.501 34.958 32.500 -0.071 0.000 1.211 142 K HN 0.524 nan 8.250 nan 0.000 0.426 143 L N 2.266 123.483 121.223 -0.011 0.000 2.453 143 L HA 0.314 4.653 4.340 -0.001 0.000 0.272 143 L C 0.284 177.278 176.870 0.207 0.000 1.182 143 L CA 0.098 54.960 54.840 0.037 0.000 0.858 143 L CB 0.588 42.718 42.059 0.118 0.000 1.120 143 L HN 0.786 nan 8.230 nan 0.000 0.474 144 A N 1.927 124.841 122.820 0.157 0.000 2.552 144 A HA 0.554 4.873 4.320 -0.001 0.000 0.288 144 A C -0.686 177.052 177.584 0.258 0.000 1.193 144 A CA -0.453 51.708 52.037 0.206 0.000 0.713 144 A CB 1.255 20.233 19.000 -0.037 0.000 1.305 144 A HN 0.698 nan 8.150 nan 0.000 0.424 145 D N -1.423 119.080 120.400 0.171 0.000 3.620 145 D HA -0.144 4.495 4.640 -0.001 0.000 0.237 145 D C -0.827 175.521 176.300 0.079 0.000 1.111 145 D CA 0.681 54.741 54.000 0.100 0.000 1.070 145 D CB -1.029 39.766 40.800 -0.008 0.000 0.891 145 D HN 0.423 nan 8.370 nan 0.000 0.412 146 F N 0.368 120.296 119.950 -0.036 0.000 2.713 146 F HA 0.353 4.879 4.527 -0.001 0.000 0.294 146 F C 2.159 177.925 175.800 -0.056 0.000 1.152 146 F CA 0.208 58.127 58.000 -0.134 0.000 1.385 146 F CB 0.450 39.434 39.000 -0.026 0.000 0.981 146 F HN 0.338 nan 8.300 nan 0.000 0.514 147 G N 0.031 108.916 108.800 0.143 0.000 2.422 147 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.218 147 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.218 147 G C 1.449 176.381 174.900 0.054 0.000 1.146 147 G CA 0.513 45.721 45.100 0.180 0.000 0.769 147 G HN 0.394 nan 8.290 nan 0.000 0.547 148 L N 0.872 122.066 121.223 -0.049 0.000 2.628 148 L HA 0.397 4.737 4.340 -0.001 0.000 0.229 148 L C 1.425 178.207 176.870 -0.146 0.000 1.137 148 L CA -0.567 54.219 54.840 -0.090 0.000 0.909 148 L CB 0.091 42.067 42.059 -0.138 0.000 1.137 148 L HN 0.184 nan 8.230 nan 0.000 0.470 149 A N 0.978 123.718 122.820 -0.132 0.000 2.425 149 A HA 0.526 4.845 4.320 -0.001 0.000 0.249 149 A C 0.056 177.663 177.584 0.039 0.000 1.084 149 A CA -0.057 51.934 52.037 -0.077 0.000 0.781 149 A CB 0.279 19.303 19.000 0.040 0.000 1.019 149 A HN 0.183 nan 8.150 nan 0.000 0.490 150 R N 0.652 121.193 120.500 0.068 0.000 2.750 150 R HA 0.622 4.961 4.340 -0.001 0.000 0.281 150 R C -0.519 175.889 176.300 0.181 0.000 0.972 150 R CA -0.507 55.662 56.100 0.115 0.000 0.912 150 R CB 1.951 32.315 30.300 0.106 0.000 1.187 150 R HN 0.820 nan 8.270 nan 0.000 0.464 151 A N 2.701 125.606 122.820 0.143 0.000 2.320 151 A HA 0.392 4.712 4.320 -0.001 0.000 0.287 151 A C 0.122 177.789 177.584 0.138 0.000 1.181 151 A CA -0.431 51.663 52.037 0.095 0.000 0.831 151 A CB -0.400 18.620 19.000 0.033 0.000 1.102 151 A HN 0.676 nan 8.150 nan 0.000 0.513 152 F N 1.882 121.869 119.950 0.061 0.000 2.925 152 F HA 0.480 5.006 4.527 -0.001 0.000 0.302 152 F C 1.111 176.928 175.800 0.028 0.000 1.189 152 F CA -0.550 57.480 58.000 0.050 0.000 1.346 152 F CB -0.288 38.740 39.000 0.046 0.000 0.954 152 F HN 0.460 nan 8.300 nan 0.000 0.506 153 G N 0.579 109.320 108.800 -0.099 0.000 2.450 153 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.220 153 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.220 153 G C 0.376 175.288 174.900 0.019 0.000 1.130 153 G CA 0.867 45.923 45.100 -0.074 0.000 0.760 153 G HN 0.306 nan 8.290 nan 0.000 0.557 154 V N 1.187 121.141 119.914 0.067 0.000 2.604 154 V HA 0.365 4.484 4.120 -0.001 0.000 0.305 154 V C -2.167 174.005 176.094 0.130 0.000 1.043 154 V CA -1.737 60.608 62.300 0.076 0.000 0.888 154 V CB 2.319 34.183 31.823 0.069 0.000 0.995 154 V HN -0.037 nan 8.190 nan 0.000 0.429 155 P HA 0.031 nan 4.420 nan 0.000 0.262 155 P C -0.543 176.915 177.300 0.264 0.000 1.182 155 P CA 0.155 63.295 63.100 0.066 0.000 0.761 155 P CB 0.254 31.737 31.700 -0.362 0.000 0.795 156 V N 5.751 125.866 119.914 0.335 0.000 2.470 156 V HA 0.118 4.237 4.120 -0.001 0.000 0.276 156 V C 1.131 177.540 176.094 0.525 0.000 1.040 156 V CA -0.017 62.520 62.300 0.394 0.000 1.008 156 V CB 0.026 32.050 31.823 0.336 0.000 0.990 156 V HN 0.468 nan 8.190 nan 0.000 0.477 157 R N 2.621 123.374 120.500 0.421 0.000 2.539 157 R HA 0.348 4.687 4.340 -0.001 0.000 0.275 157 R C 0.352 176.845 176.300 0.322 0.000 1.077 157 R CA -0.250 55.995 56.100 0.243 0.000 1.097 157 R CB 0.665 31.030 30.300 0.109 0.000 1.018 157 R HN 0.680 nan 8.270 nan 0.000 0.483 158 T N 2.217 116.813 114.554 0.071 0.000 2.907 158 T HA 0.043 4.392 4.350 -0.001 0.000 0.298 158 T C 0.602 175.447 174.700 0.241 0.000 1.017 158 T CA -0.002 62.116 62.100 0.029 0.000 1.118 158 T CB 0.323 69.041 68.868 -0.251 0.000 0.948 158 T HN 0.373 nan 8.240 nan 0.000 0.531 159 Y N 2.317 122.674 120.300 0.094 0.000 2.114 159 Y HA -0.067 4.482 4.550 -0.001 0.000 0.284 159 Y C 2.473 178.417 175.900 0.073 0.000 1.119 159 Y CA 1.237 59.405 58.100 0.113 0.000 1.108 159 Y CB -0.765 37.792 38.460 0.163 0.000 0.995 159 Y HN 0.965 nan 8.280 nan 0.000 0.491 160 T N -2.392 112.297 114.554 0.224 0.000 13.396 160 T HA -0.344 4.006 4.350 -0.001 0.000 0.416 160 T C 0.987 175.805 174.700 0.196 0.000 1.466 160 T CA 1.274 63.460 62.100 0.142 0.000 2.394 160 T CB -1.478 67.436 68.868 0.078 0.000 2.763 160 T HN 0.450 nan 8.240 nan 0.000 0.539 161 H N 4.443 123.568 119.070 0.091 0.000 2.572 161 H HA 0.290 4.845 4.556 -0.001 0.000 0.278 161 H C 1.219 176.633 175.328 0.144 0.000 1.050 161 H CA 1.485 57.584 56.048 0.086 0.000 1.168 161 H CB -0.697 29.098 29.762 0.055 0.000 1.316 161 H HN 0.735 nan 8.280 nan 0.000 0.610 162 E N 0.447 120.831 120.200 0.305 0.000 3.917 162 E HA -0.287 4.062 4.350 -0.001 0.000 0.254 162 E C 0.144 176.863 176.600 0.199 0.000 1.562 162 E CA 2.528 59.086 56.400 0.263 0.000 2.488 162 E CB -0.972 28.831 29.700 0.172 0.000 2.102 162 E HN 0.401 nan 8.360 nan 0.000 0.413 163 V N -4.594 115.381 119.914 0.102 0.000 6.009 163 V HA 0.205 4.324 4.120 -0.001 0.000 0.987 163 V C 0.416 176.517 176.094 0.013 0.000 2.729 163 V CA 0.070 62.391 62.300 0.036 0.000 5.061 163 V CB -1.324 30.534 31.823 0.059 0.000 0.308 163 V HN 0.529 nan 8.190 nan 0.000 0.686 164 V N 0.648 120.573 119.914 0.019 0.000 3.488 164 V HA 0.514 4.633 4.120 -0.001 0.000 0.291 164 V C 2.216 178.341 176.094 0.051 0.000 1.163 164 V CA 0.651 62.961 62.300 0.016 0.000 0.971 164 V CB 1.365 33.202 31.823 0.022 0.000 1.245 164 V HN 0.556 nan 8.190 nan 0.000 0.456 165 T N -1.895 112.716 114.554 0.096 0.000 2.809 165 T HA 0.120 4.469 4.350 -0.001 0.000 0.260 165 T C 0.807 175.574 174.700 0.111 0.000 1.039 165 T CA 1.123 63.293 62.100 0.117 0.000 1.141 165 T CB -0.080 68.958 68.868 0.282 0.000 0.869 165 T HN 0.538 nan 8.240 nan 0.000 0.437 166 L N -2.138 119.193 121.223 0.179 0.000 8.216 166 L HA -0.189 4.151 4.340 -0.001 0.000 0.067 166 L C 0.602 177.675 176.870 0.339 0.000 1.196 166 L CA 1.383 56.359 54.840 0.226 0.000 1.271 166 L CB -1.569 40.619 42.059 0.215 0.000 3.022 166 L HN 0.424 nan 8.230 nan 0.000 1.253 167 W N -1.641 119.639 121.300 -0.033 0.000 1.649 167 W HA -0.368 4.292 4.660 -0.001 0.000 0.316 167 W C 1.776 178.129 176.519 -0.277 0.000 1.812 167 W CA 2.690 59.890 57.345 -0.242 0.000 2.192 167 W CB -1.856 27.268 29.460 -0.560 0.000 0.939 167 W HN 0.595 nan 8.180 nan 0.000 0.456 168 Y N 0.096 120.692 120.300 0.495 0.000 2.583 168 Y HA 0.347 4.896 4.550 -0.001 0.000 0.294 168 Y C 1.335 177.498 175.900 0.438 0.000 1.170 168 Y CA -0.009 58.354 58.100 0.438 0.000 1.265 168 Y CB -0.483 38.161 38.460 0.306 0.000 1.119 168 Y HN -0.149 nan 8.280 nan 0.000 0.522 169 R N 1.588 122.338 120.500 0.417 0.000 2.357 169 R HA 0.641 4.980 4.340 -0.001 0.000 0.296 169 R C -0.007 176.259 176.300 -0.057 0.000 1.052 169 R CA -0.416 55.817 56.100 0.223 0.000 0.988 169 R CB 0.598 30.984 30.300 0.142 0.000 1.025 169 R HN 0.262 nan 8.270 nan 0.000 0.469 170 A N 5.887 128.549 122.820 -0.263 0.000 2.407 170 A HA 0.257 4.576 4.320 -0.001 0.000 0.248 170 A C -1.666 175.562 177.584 -0.595 0.000 1.082 170 A CA -1.391 50.134 52.037 -0.852 0.000 0.785 170 A CB 0.297 19.073 19.000 -0.373 0.000 1.020 170 A HN 0.741 nan 8.150 nan 0.000 0.489 171 P HA -0.204 nan 4.420 nan 0.000 0.217 171 P C 1.075 178.445 177.300 0.118 0.000 1.150 171 P CA 1.546 64.526 63.100 -0.200 0.000 0.832 171 P CB 0.051 31.753 31.700 0.003 0.000 0.787 172 E N 0.216 120.515 120.200 0.165 0.000 2.153 172 E HA -0.151 4.198 4.350 -0.001 0.000 0.194 172 E C 1.891 178.557 176.600 0.110 0.000 0.988 172 E CA 1.111 57.712 56.400 0.334 0.000 0.811 172 E CB -0.950 28.928 29.700 0.296 0.000 0.746 172 E HN 0.185 nan 8.360 nan 0.000 0.466 173 I N 1.361 121.926 120.570 -0.009 0.000 2.286 173 I HA -0.143 4.027 4.170 -0.001 0.000 0.245 173 I C 2.693 178.794 176.117 -0.026 0.000 1.104 173 I CA 0.686 61.942 61.300 -0.073 0.000 1.397 173 I CB -1.020 36.922 38.000 -0.097 0.000 1.072 173 I HN 0.093 nan 8.210 nan 0.000 0.417 174 L N -0.031 121.188 121.223 -0.007 0.000 2.201 174 L HA -0.120 4.219 4.340 -0.001 0.000 0.212 174 L C 2.154 179.054 176.870 0.049 0.000 1.105 174 L CA 0.928 55.773 54.840 0.008 0.000 0.775 174 L CB -0.360 41.684 42.059 -0.025 0.000 0.913 174 L HN 0.171 nan 8.230 nan 0.000 0.440 175 L N -0.428 120.848 121.223 0.088 0.000 2.612 175 L HA 0.192 4.531 4.340 -0.001 0.000 0.230 175 L C 1.128 178.035 176.870 0.061 0.000 1.140 175 L CA 0.381 55.290 54.840 0.115 0.000 0.896 175 L CB -0.237 41.900 42.059 0.130 0.000 1.065 175 L HN 0.434 nan 8.230 nan 0.000 0.447 176 G N 0.333 109.149 108.800 0.028 0.000 2.165 176 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.226 176 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.226 176 G C 0.322 175.205 174.900 -0.028 0.000 1.035 176 G CA -0.086 45.012 45.100 -0.004 0.000 0.744 176 G HN 0.432 nan 8.290 nan 0.000 0.501 177 C N -1.136 118.149 119.300 -0.025 0.000 2.649 177 C HA 0.748 5.207 4.460 -0.001 0.000 0.377 177 C C 1.908 176.830 174.990 -0.114 0.000 1.321 177 C CA 0.153 59.152 59.018 -0.032 0.000 2.368 177 C CB 1.337 29.099 27.740 0.036 0.000 2.597 177 C HN 0.505 nan 8.230 nan 0.000 0.678 178 K N -0.293 120.016 120.400 -0.152 0.000 2.186 178 K HA 0.110 4.429 4.320 -0.001 0.000 0.202 178 K C -0.402 175.872 176.600 -0.542 0.000 1.052 178 K CA 0.911 56.968 56.287 -0.384 0.000 0.965 178 K CB 0.044 32.221 32.500 -0.538 0.000 0.746 178 K HN 0.784 nan 8.250 nan 0.000 0.457 179 Y N -0.927 119.352 120.300 -0.035 0.000 2.446 179 Y HA 0.273 4.822 4.550 -0.001 0.000 0.345 179 Y C -0.353 175.507 175.900 -0.067 0.000 0.984 179 Y CA -1.317 56.779 58.100 -0.007 0.000 1.058 179 Y CB 0.892 39.377 38.460 0.042 0.000 1.220 179 Y HN -0.141 nan 8.280 nan 0.000 0.455 180 Y N 0.950 121.359 120.300 0.182 0.000 2.296 180 Y HA 0.431 4.981 4.550 -0.001 0.000 0.343 180 Y C 0.808 176.704 175.900 -0.006 0.000 1.292 180 Y CA 0.494 58.635 58.100 0.067 0.000 1.490 180 Y CB 1.010 39.492 38.460 0.036 0.000 1.359 180 Y HN 0.653 nan 8.280 nan 0.000 0.599 181 S N -2.460 113.297 115.700 0.095 0.000 2.688 181 S HA 0.200 4.669 4.470 -0.001 0.000 0.275 181 S C 0.268 174.711 174.600 -0.260 0.000 1.175 181 S CA -0.319 57.797 58.200 -0.138 0.000 0.818 181 S CB 0.922 64.071 63.200 -0.085 0.000 1.157 181 S HN 0.659 nan 8.310 nan 0.000 0.482 182 T N -1.732 112.542 114.554 -0.467 0.000 3.098 182 T HA 0.144 4.493 4.350 -0.001 0.000 0.266 182 T C 1.715 176.302 174.700 -0.188 0.000 1.145 182 T CA 0.850 62.587 62.100 -0.605 0.000 1.092 182 T CB -0.678 67.643 68.868 -0.912 0.000 0.908 182 T HN 0.988 nan 8.240 nan 0.000 0.526 183 A N 1.758 124.535 122.820 -0.072 0.000 2.066 183 A HA 0.182 4.501 4.320 -0.001 0.000 0.218 183 A C 2.576 180.251 177.584 0.151 0.000 1.157 183 A CA 1.129 53.198 52.037 0.052 0.000 0.670 183 A CB -0.816 18.201 19.000 0.027 0.000 0.804 183 A HN 0.682 nan 8.150 nan 0.000 0.453 184 V N -2.151 117.844 119.914 0.134 0.000 2.548 184 V HA -0.149 3.970 4.120 -0.001 0.000 0.249 184 V C 1.597 177.849 176.094 0.263 0.000 1.055 184 V CA 2.314 64.740 62.300 0.210 0.000 1.065 184 V CB -0.707 31.250 31.823 0.224 0.000 0.681 184 V HN 0.338 nan 8.190 nan 0.000 0.462 185 D N 0.748 121.278 120.400 0.216 0.000 2.149 185 D HA -0.009 4.630 4.640 -0.001 0.000 0.201 185 D C 2.188 178.615 176.300 0.211 0.000 0.972 185 D CA 1.349 55.479 54.000 0.217 0.000 0.835 185 D CB -0.094 40.879 40.800 0.288 0.000 0.966 185 D HN 0.414 nan 8.370 nan 0.000 0.476 186 I N 0.285 120.996 120.570 0.235 0.000 2.394 186 I HA -0.196 3.973 4.170 -0.001 0.000 0.251 186 I C 2.324 178.570 176.117 0.215 0.000 1.136 186 I CA 0.607 62.025 61.300 0.196 0.000 1.425 186 I CB -0.896 37.214 38.000 0.182 0.000 1.079 186 I HN 0.276 nan 8.210 nan 0.000 0.425 187 W N 2.153 123.526 121.300 0.122 0.000 2.358 187 W HA -0.210 4.449 4.660 -0.001 0.000 0.303 187 W C 2.454 179.088 176.519 0.193 0.000 1.208 187 W CA 1.685 59.118 57.345 0.146 0.000 1.274 187 W CB -0.201 29.339 29.460 0.133 0.000 1.138 187 W HN 0.093 nan 8.180 nan 0.000 0.515 188 S N 1.048 116.982 115.700 0.390 0.000 2.383 188 S HA -0.193 4.277 4.470 -0.001 0.000 0.227 188 S C 1.669 176.368 174.600 0.165 0.000 1.026 188 S CA 1.294 59.692 58.200 0.329 0.000 0.981 188 S CB -0.626 62.730 63.200 0.260 0.000 0.818 188 S HN 0.132 nan 8.310 nan 0.000 0.472 189 L N 1.693 122.979 121.223 0.105 0.000 2.217 189 L HA 0.145 4.484 4.340 -0.001 0.000 0.211 189 L C 2.292 179.224 176.870 0.104 0.000 1.107 189 L CA 1.142 56.022 54.840 0.067 0.000 0.783 189 L CB -1.212 40.872 42.059 0.043 0.000 0.919 189 L HN 0.343 nan 8.230 nan 0.000 0.442 190 G N -1.593 107.240 108.800 0.055 0.000 2.418 190 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.217 190 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.217 190 G C 1.624 176.520 174.900 -0.007 0.000 1.158 190 G CA 0.994 46.113 45.100 0.032 0.000 0.771 190 G HN 0.476 nan 8.290 nan 0.000 0.545 191 C N 0.226 119.501 119.300 -0.043 0.000 2.440 191 C HA 0.111 4.570 4.460 -0.001 0.000 0.278 191 C C 2.813 177.871 174.990 0.113 0.000 1.295 191 C CA 0.308 59.325 59.018 -0.003 0.000 1.738 191 C CB -0.898 26.966 27.740 0.207 0.000 1.987 191 C HN 0.463 nan 8.230 nan 0.000 0.492 192 I N -0.046 120.636 120.570 0.187 0.000 2.353 192 I HA -0.150 4.019 4.170 -0.001 0.000 0.248 192 I C 2.393 178.628 176.117 0.197 0.000 1.119 192 I CA 1.217 62.619 61.300 0.170 0.000 1.417 192 I CB -0.495 37.545 38.000 0.067 0.000 1.078 192 I HN 0.225 nan 8.210 nan 0.000 0.421 193 F N 2.259 122.221 119.950 0.021 0.000 2.095 193 F HA -0.247 4.279 4.527 -0.001 0.000 0.298 193 F C 2.457 178.241 175.800 -0.027 0.000 1.104 193 F CA 1.402 59.415 58.000 0.022 0.000 1.232 193 F CB -0.843 38.163 39.000 0.010 0.000 0.987 193 F HN 0.033 nan 8.300 nan 0.000 0.475 194 A N -0.182 122.499 122.820 -0.232 0.000 1.933 194 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 194 A C 2.292 179.732 177.584 -0.240 0.000 1.175 194 A CA 1.738 53.542 52.037 -0.388 0.000 0.628 194 A CB -1.039 17.714 19.000 -0.411 0.000 0.814 194 A HN 0.581 nan 8.150 nan 0.000 0.444 195 E N -0.638 119.496 120.200 -0.111 0.000 2.106 195 E HA -0.167 4.182 4.350 -0.001 0.000 0.192 195 E C 2.019 178.609 176.600 -0.017 0.000 0.984 195 E CA 1.228 57.596 56.400 -0.053 0.000 0.806 195 E CB -0.186 29.549 29.700 0.059 0.000 0.750 195 E HN 0.667 nan 8.360 nan 0.000 0.458 196 M N -0.074 119.550 119.600 0.041 0.000 2.229 196 M HA -0.138 4.342 4.480 -0.001 0.000 0.264 196 M C 2.185 178.494 176.300 0.014 0.000 1.063 196 M CA 0.864 56.209 55.300 0.075 0.000 1.114 196 M CB 0.141 32.857 32.600 0.193 0.000 1.387 196 M HN 0.086 nan 8.290 nan 0.000 0.420 197 V N -0.148 119.735 119.914 -0.053 0.000 2.302 197 V HA -0.170 3.949 4.120 -0.001 0.000 0.243 197 V C 2.482 178.506 176.094 -0.116 0.000 1.036 197 V CA 2.222 64.462 62.300 -0.100 0.000 1.020 197 V CB -0.938 30.752 31.823 -0.222 0.000 0.657 197 V HN 0.582 nan 8.190 nan 0.000 0.453 198 T N -2.511 111.953 114.554 -0.151 0.000 3.148 198 T HA -0.002 4.347 4.350 -0.001 0.000 0.253 198 T C 1.116 175.750 174.700 -0.111 0.000 1.134 198 T CA 0.253 62.264 62.100 -0.147 0.000 1.051 198 T CB -0.235 68.517 68.868 -0.193 0.000 0.959 198 T HN 0.526 nan 8.240 nan 0.000 0.525 199 R N 0.093 120.542 120.500 -0.085 0.000 4.000 199 R HA -0.191 4.149 4.340 -0.001 0.000 0.362 199 R C 0.190 176.455 176.300 -0.058 0.000 1.183 199 R CA 1.370 57.432 56.100 -0.063 0.000 1.011 199 R CB -2.067 28.193 30.300 -0.066 0.000 1.501 199 R HN 0.813 nan 8.270 nan 0.000 0.553 200 R N -0.812 119.638 120.500 -0.083 0.000 2.739 200 R HA 0.698 5.037 4.340 -0.001 0.000 0.271 200 R C -1.094 175.125 176.300 -0.134 0.000 1.010 200 R CA -0.186 55.860 56.100 -0.089 0.000 0.897 200 R CB 1.289 31.523 30.300 -0.110 0.000 1.236 200 R HN 0.065 nan 8.270 nan 0.000 0.466 201 A N 2.209 124.936 122.820 -0.155 0.000 2.511 201 A HA 0.167 4.486 4.320 -0.001 0.000 0.242 201 A C 0.660 177.993 177.584 -0.418 0.000 1.069 201 A CA -0.490 51.388 52.037 -0.265 0.000 0.763 201 A CB 0.326 19.054 19.000 -0.453 0.000 1.001 201 A HN 0.741 nan 8.150 nan 0.000 0.498 202 L N 1.958 122.878 121.223 -0.504 0.000 2.068 202 L HA 0.213 4.552 4.340 -0.001 0.000 0.204 202 L C 0.080 176.434 176.870 -0.861 0.000 1.076 202 L CA 1.800 56.171 54.840 -0.782 0.000 0.753 202 L CB -0.197 41.226 42.059 -1.060 0.000 0.910 202 L HN 0.616 nan 8.230 nan 0.000 0.439 203 F N 1.010 120.759 119.950 -0.335 0.000 2.531 203 F HA 0.405 4.931 4.527 -0.001 0.000 0.333 203 F C -2.205 173.232 175.800 -0.605 0.000 1.292 203 F CA -3.000 54.812 58.000 -0.313 0.000 1.184 203 F CB 0.056 38.990 39.000 -0.110 0.000 1.426 203 F HN -0.005 nan 8.300 nan 0.000 0.559 204 P HA 0.192 nan 4.420 nan 0.000 0.247 204 P C 0.508 177.515 177.300 -0.488 0.000 1.756 204 P CA 0.333 62.648 63.100 -1.309 0.000 1.117 204 P CB 0.672 31.678 31.700 -1.155 0.000 1.869 205 G N 1.679 110.349 108.800 -0.216 0.000 2.476 205 G HA2 0.220 4.179 3.960 -0.001 0.000 0.286 205 G HA3 0.220 4.179 3.960 -0.001 0.000 0.286 205 G C 0.052 175.090 174.900 0.230 0.000 1.177 205 G CA -0.357 44.777 45.100 0.057 0.000 0.870 205 G HN 0.116 nan 8.290 nan 0.000 0.528 206 D N -1.299 119.183 120.400 0.136 0.000 2.423 206 D HA 0.173 4.812 4.640 -0.001 0.000 0.208 206 D C 1.383 177.734 176.300 0.086 0.000 1.068 206 D CA 0.756 54.835 54.000 0.132 0.000 0.860 206 D CB 0.717 41.568 40.800 0.084 0.000 0.992 206 D HN 0.470 nan 8.370 nan 0.000 0.504 207 S N -1.657 114.076 115.700 0.056 0.000 2.843 207 S HA 0.364 4.833 4.470 -0.001 0.000 0.301 207 S C 0.597 175.204 174.600 0.012 0.000 1.206 207 S CA -0.715 57.501 58.200 0.027 0.000 0.875 207 S CB 1.535 64.728 63.200 -0.011 0.000 1.248 207 S HN -0.180 nan 8.310 nan 0.000 0.555 208 E N -0.293 119.902 120.200 -0.010 0.000 2.076 208 E HA 0.088 4.437 4.350 -0.001 0.000 0.190 208 E C 1.674 178.221 176.600 -0.089 0.000 0.979 208 E CA 0.805 57.191 56.400 -0.023 0.000 0.807 208 E CB -0.181 29.515 29.700 -0.006 0.000 0.761 208 E HN 0.514 nan 8.360 nan 0.000 0.454 209 I N 1.273 121.762 120.570 -0.135 0.000 2.439 209 I HA -0.184 3.985 4.170 -0.001 0.000 0.251 209 I C 1.691 177.578 176.117 -0.384 0.000 1.139 209 I CA 1.292 62.424 61.300 -0.281 0.000 1.438 209 I CB 0.054 37.864 38.000 -0.317 0.000 1.085 209 I HN -0.018 nan 8.210 nan 0.000 0.427 210 D N -0.516 119.748 120.400 -0.226 0.000 2.178 210 D HA -0.250 4.389 4.640 -0.001 0.000 0.202 210 D C 2.123 178.391 176.300 -0.054 0.000 0.974 210 D CA 1.032 54.950 54.000 -0.136 0.000 0.841 210 D CB 0.043 40.808 40.800 -0.058 0.000 0.953 210 D HN 0.344 nan 8.370 nan 0.000 0.478 211 Q N -0.235 119.531 119.800 -0.057 0.000 2.083 211 Q HA 0.041 4.380 4.340 -0.001 0.000 0.198 211 Q C 2.113 178.040 176.000 -0.122 0.000 0.969 211 Q CA 1.006 56.788 55.803 -0.035 0.000 0.838 211 Q CB -0.309 28.437 28.738 0.012 0.000 0.900 211 Q HN 0.362 nan 8.270 nan 0.000 0.436 212 L N -0.713 120.380 121.223 -0.215 0.000 2.046 212 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 212 L C 1.780 178.333 176.870 -0.528 0.000 1.077 212 L CA 0.861 55.400 54.840 -0.503 0.000 0.747 212 L CB -0.310 41.353 42.059 -0.660 0.000 0.896 212 L HN 0.255 nan 8.230 nan 0.000 0.432 213 F N -0.133 119.550 119.950 -0.446 0.000 2.325 213 F HA -0.074 4.452 4.527 -0.001 0.000 0.299 213 F C 2.594 178.461 175.800 0.112 0.000 1.090 213 F CA 0.833 58.787 58.000 -0.076 0.000 1.392 213 F CB -0.520 38.523 39.000 0.071 0.000 1.053 213 F HN -0.045 nan 8.300 nan 0.000 0.521 214 R N -0.147 120.447 120.500 0.156 0.000 2.090 214 R HA -0.064 4.276 4.340 -0.001 0.000 0.228 214 R C 2.221 178.551 176.300 0.051 0.000 1.110 214 R CA 1.242 57.414 56.100 0.120 0.000 0.973 214 R CB -0.409 29.959 30.300 0.113 0.000 0.869 214 R HN 0.270 nan 8.270 nan 0.000 0.440 215 I N 0.070 120.507 120.570 -0.222 0.000 2.202 215 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 215 I C 1.883 178.148 176.117 0.247 0.000 1.091 215 I CA 1.152 62.211 61.300 -0.401 0.000 1.368 215 I CB -0.293 37.539 38.000 -0.280 0.000 1.058 215 I HN 0.020 nan 8.210 nan 0.000 0.410 216 F N 1.689 121.731 119.950 0.153 0.000 2.126 216 F HA -0.221 4.306 4.527 -0.001 0.000 0.299 216 F C 2.657 178.659 175.800 0.337 0.000 1.096 216 F CA 1.661 59.826 58.000 0.275 0.000 1.255 216 F CB -0.949 38.144 39.000 0.155 0.000 0.997 216 F HN 0.198 nan 8.300 nan 0.000 0.479 217 R N -1.169 119.564 120.500 0.389 0.000 2.299 217 R HA 0.033 4.373 4.340 -0.001 0.000 0.197 217 R C 1.211 177.509 176.300 -0.004 0.000 0.971 217 R CA 1.449 57.515 56.100 -0.057 0.000 1.030 217 R CB -0.807 29.180 30.300 -0.523 0.000 0.932 217 R HN 0.071 nan 8.270 nan 0.000 0.477 218 T N 0.121 114.767 114.554 0.152 0.000 3.038 218 T HA 0.253 4.603 4.350 -0.001 0.000 0.244 218 T C 1.266 176.075 174.700 0.182 0.000 1.016 218 T CA 0.286 62.474 62.100 0.148 0.000 1.098 218 T CB 0.223 69.261 68.868 0.283 0.000 0.954 218 T HN 0.097 nan 8.240 nan 0.000 0.469 219 L N 0.796 122.174 121.223 0.259 0.000 2.693 219 L HA 0.448 4.787 4.340 -0.001 0.000 0.235 219 L C 1.116 178.186 176.870 0.334 0.000 1.127 219 L CA -0.319 54.684 54.840 0.271 0.000 0.914 219 L CB -0.142 42.008 42.059 0.151 0.000 1.193 219 L HN 0.413 nan 8.230 nan 0.000 0.502 220 G N 0.296 109.278 108.800 0.304 0.000 2.730 220 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.686 220 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.686 220 G C -0.274 174.699 174.900 0.121 0.000 1.343 220 G CA -0.744 44.497 45.100 0.235 0.000 0.826 220 G HN -0.025 nan 8.290 nan 0.000 0.582 221 T N 4.087 118.572 114.554 -0.115 0.000 2.779 221 T HA 0.510 4.859 4.350 -0.001 0.000 0.296 221 T C -1.478 172.958 174.700 -0.440 0.000 0.938 221 T CA -0.100 61.650 62.100 -0.583 0.000 1.119 221 T CB 1.245 69.776 68.868 -0.562 0.000 0.891 221 T HN 0.652 nan 8.240 nan 0.000 0.526 222 P HA 0.231 nan 4.420 nan 0.000 0.268 222 P C -0.799 176.344 177.300 -0.262 0.000 1.205 222 P CA -0.304 62.504 63.100 -0.487 0.000 0.771 222 P CB 0.718 31.973 31.700 -0.741 0.000 0.858 223 D N -0.014 120.302 120.400 -0.139 0.000 2.687 223 D HA 0.184 4.823 4.640 -0.001 0.000 0.264 223 D C 0.888 177.134 176.300 -0.089 0.000 1.091 223 D CA -0.642 53.286 54.000 -0.119 0.000 1.123 223 D CB 0.298 41.058 40.800 -0.067 0.000 1.407 223 D HN 0.122 nan 8.370 nan 0.000 0.591 224 E N -0.534 119.608 120.200 -0.097 0.000 2.204 224 E HA -0.069 4.280 4.350 -0.001 0.000 0.195 224 E C 1.998 178.605 176.600 0.012 0.000 0.990 224 E CA 0.653 57.011 56.400 -0.070 0.000 0.821 224 E CB -0.076 29.576 29.700 -0.080 0.000 0.750 224 E HN 0.354 nan 8.360 nan 0.000 0.477 225 V N 1.088 121.016 119.914 0.023 0.000 2.323 225 V HA -0.187 3.932 4.120 -0.001 0.000 0.244 225 V C 2.604 178.760 176.094 0.103 0.000 1.041 225 V CA 1.667 63.998 62.300 0.053 0.000 1.025 225 V CB -0.606 31.239 31.823 0.037 0.000 0.656 225 V HN 0.193 nan 8.190 nan 0.000 0.451 226 V N -4.558 115.433 119.914 0.127 0.000 2.871 226 V HA 0.020 4.140 4.120 -0.001 0.000 0.256 226 V C 0.799 177.094 176.094 0.334 0.000 1.082 226 V CA 0.611 63.031 62.300 0.200 0.000 1.105 226 V CB -0.212 31.720 31.823 0.182 0.000 0.713 226 V HN 0.617 nan 8.190 nan 0.000 0.473 227 W N 3.046 124.373 121.300 0.044 0.000 2.113 227 W HA 0.514 5.173 4.660 -0.001 0.000 0.290 227 W C -3.258 173.249 176.519 -0.020 0.000 1.033 227 W CA -3.016 54.356 57.345 0.046 0.000 1.156 227 W CB 0.736 30.219 29.460 0.038 0.000 1.109 227 W HN 0.036 nan 8.180 nan 0.000 0.290 228 P HA 0.276 nan 4.420 nan 0.000 0.267 228 P C 0.915 178.207 177.300 -0.013 0.000 1.209 228 P CA 1.959 65.095 63.100 0.061 0.000 0.763 228 P CB 1.060 32.808 31.700 0.081 0.000 0.816 229 G N 2.042 110.745 108.800 -0.161 0.000 2.218 229 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.216 229 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.216 229 G C 0.827 175.460 174.900 -0.445 0.000 0.994 229 G CA 0.081 45.049 45.100 -0.221 0.000 0.637 229 G HN 0.486 nan 8.290 nan 0.000 0.505 230 V N 2.080 121.565 119.914 -0.715 0.000 2.594 230 V HA -0.032 4.088 4.120 -0.001 0.000 0.253 230 V C 2.848 178.316 176.094 -1.044 0.000 1.069 230 V CA 3.656 65.319 62.300 -1.061 0.000 1.082 230 V CB -0.378 30.667 31.823 -1.297 0.000 0.680 230 V HN 1.043 nan 8.190 nan 0.000 0.469 231 T N -2.662 111.352 114.554 -0.901 0.000 3.113 231 T HA 0.018 4.367 4.350 -0.001 0.000 0.256 231 T C 1.223 175.655 174.700 -0.447 0.000 1.131 231 T CA 0.854 62.356 62.100 -0.998 0.000 1.074 231 T CB -0.191 68.340 68.868 -0.562 0.000 0.944 231 T HN 0.608 nan 8.240 nan 0.000 0.516 232 S N 0.718 116.215 115.700 -0.339 0.000 2.575 232 S HA 0.465 4.934 4.470 -0.001 0.000 0.237 232 S C 0.345 174.859 174.600 -0.143 0.000 0.975 232 S CA -0.772 57.322 58.200 -0.177 0.000 0.960 232 S CB -0.405 62.713 63.200 -0.137 0.000 0.822 232 S HN 0.407 nan 8.310 nan 0.000 0.472 233 M N 1.825 121.319 119.600 -0.176 0.000 2.249 233 M HA 0.308 4.787 4.480 -0.001 0.000 0.351 233 M C -1.806 174.486 176.300 -0.015 0.000 1.180 233 M CA -2.188 53.053 55.300 -0.100 0.000 1.127 233 M CB 0.564 33.077 32.600 -0.145 0.000 1.546 233 M HN -0.121 nan 8.290 nan 0.000 0.461 234 P HA -0.185 nan 4.420 nan 0.000 0.216 234 P C 0.306 177.618 177.300 0.019 0.000 1.157 234 P CA 1.507 64.606 63.100 -0.003 0.000 0.880 234 P CB 0.166 31.859 31.700 -0.011 0.000 0.791 235 D N -3.062 117.370 120.400 0.053 0.000 2.342 235 D HA 0.039 4.678 4.640 -0.001 0.000 0.221 235 D C 0.049 176.438 176.300 0.148 0.000 1.101 235 D CA -0.138 53.907 54.000 0.075 0.000 0.837 235 D CB -0.357 40.493 40.800 0.083 0.000 0.938 235 D HN 0.233 nan 8.370 nan 0.000 0.508 236 Y N 1.581 121.871 120.300 -0.016 0.000 2.299 236 Y HA 0.257 4.807 4.550 -0.001 0.000 0.326 236 Y C -0.152 175.534 175.900 -0.356 0.000 1.164 236 Y CA -0.208 57.860 58.100 -0.052 0.000 1.234 236 Y CB 0.689 39.110 38.460 -0.065 0.000 1.219 236 Y HN -0.381 nan 8.280 nan 0.000 0.497 237 K N 7.525 126.950 120.400 -1.625 0.000 2.471 237 K HA 0.250 4.570 4.320 -0.001 0.000 0.252 237 K C -2.258 173.545 176.600 -1.329 0.000 0.938 237 K CA -1.925 53.582 56.287 -1.300 0.000 0.796 237 K CB 2.152 33.911 32.500 -1.234 0.000 1.161 237 K HN 0.398 nan 8.250 nan 0.000 0.425 238 P HA -0.149 nan 4.420 nan 0.000 0.230 238 P C 0.860 177.999 177.300 -0.268 0.000 1.158 238 P CA 1.007 63.927 63.100 -0.301 0.000 0.769 238 P CB 0.256 31.890 31.700 -0.111 0.000 0.807 239 S N -1.931 113.573 115.700 -0.327 0.000 2.527 239 S HA -0.004 4.465 4.470 -0.001 0.000 0.222 239 S C 0.759 175.308 174.600 -0.085 0.000 0.985 239 S CA -0.415 57.676 58.200 -0.181 0.000 0.921 239 S CB -1.077 62.036 63.200 -0.145 0.000 0.772 239 S HN -0.194 nan 8.310 nan 0.000 0.529 240 F N 4.313 124.121 119.950 -0.238 0.000 2.635 240 F HA 0.244 4.770 4.527 -0.001 0.000 0.379 240 F C -1.635 173.922 175.800 -0.405 0.000 1.094 240 F CA -2.495 55.339 58.000 -0.277 0.000 1.300 240 F CB -0.528 38.292 39.000 -0.301 0.000 1.035 240 F HN 0.156 nan 8.300 nan 0.000 0.581 241 P HA 0.054 nan 4.420 nan 0.000 0.269 241 P C -0.871 176.007 177.300 -0.704 0.000 1.209 241 P CA -0.386 62.295 63.100 -0.698 0.000 0.776 241 P CB 0.603 31.519 31.700 -1.306 0.000 0.876 242 K N 2.398 122.523 120.400 -0.458 0.000 2.231 242 K HA 0.226 4.546 4.320 -0.001 0.000 0.255 242 K C -0.405 176.122 176.600 -0.121 0.000 1.108 242 K CA -0.096 56.032 56.287 -0.265 0.000 0.997 242 K CB -0.051 32.374 32.500 -0.126 0.000 1.549 242 K HN 0.398 nan 8.250 nan 0.000 0.419 243 W N 1.065 122.301 121.300 -0.108 0.000 2.332 243 W HA 0.592 5.252 4.660 -0.001 0.000 0.351 243 W C 0.344 176.835 176.519 -0.045 0.000 1.195 243 W CA -1.586 55.719 57.345 -0.067 0.000 1.334 243 W CB 0.892 30.315 29.460 -0.061 0.000 1.206 243 W HN 0.324 nan 8.180 nan 0.000 0.637 244 A N 1.979 124.938 122.820 0.232 0.000 2.320 244 A HA 0.608 4.928 4.320 -0.001 0.000 0.334 244 A C -0.082 177.577 177.584 0.125 0.000 1.147 244 A CA -0.951 51.165 52.037 0.132 0.000 0.820 244 A CB 0.859 19.914 19.000 0.092 0.000 1.218 244 A HN 0.620 nan 8.150 nan 0.000 0.482 245 R N 1.363 121.934 120.500 0.119 0.000 2.449 245 R HA 0.106 4.445 4.340 -0.001 0.000 0.296 245 R C -0.228 176.132 176.300 0.100 0.000 1.047 245 R CA 0.224 56.403 56.100 0.131 0.000 1.018 245 R CB 0.214 30.594 30.300 0.134 0.000 0.962 245 R HN 0.836 nan 8.270 nan 0.000 0.428 246 Q N 2.281 122.136 119.800 0.092 0.000 2.368 246 Q HA 0.032 4.371 4.340 -0.001 0.000 0.237 246 Q C -0.687 175.372 176.000 0.099 0.000 0.987 246 Q CA -0.375 55.461 55.803 0.054 0.000 0.896 246 Q CB 0.754 29.491 28.738 -0.001 0.000 1.241 246 Q HN 0.529 nan 8.270 nan 0.000 0.485 247 D N 0.221 120.661 120.400 0.067 0.000 2.417 247 D HA -0.019 4.620 4.640 -0.001 0.000 0.250 247 D C -0.004 176.366 176.300 0.117 0.000 1.166 247 D CA 0.193 54.251 54.000 0.096 0.000 0.881 247 D CB 0.390 41.219 40.800 0.047 0.000 1.164 247 D HN 0.360 nan 8.370 nan 0.000 0.467 248 F N 1.600 121.521 119.950 -0.049 0.000 2.307 248 F HA -0.189 4.337 4.527 -0.001 0.000 0.301 248 F C 2.592 178.340 175.800 -0.087 0.000 1.076 248 F CA 1.227 59.183 58.000 -0.074 0.000 1.383 248 F CB -0.380 38.572 39.000 -0.079 0.000 1.055 248 F HN 0.428 nan 8.300 nan 0.000 0.526 249 S N -0.969 114.769 115.700 0.063 0.000 2.474 249 S HA -0.127 4.342 4.470 -0.001 0.000 0.235 249 S C 1.713 176.274 174.600 -0.064 0.000 0.997 249 S CA 0.753 58.949 58.200 -0.007 0.000 0.949 249 S CB -0.362 62.841 63.200 0.006 0.000 0.766 249 S HN 0.420 nan 8.310 nan 0.000 0.517 250 K N 0.358 120.710 120.400 -0.080 0.000 2.361 250 K HA 0.268 4.587 4.320 -0.001 0.000 0.194 250 K C 1.425 177.929 176.600 -0.160 0.000 1.032 250 K CA 0.357 56.583 56.287 -0.102 0.000 1.048 250 K CB 0.305 32.759 32.500 -0.077 0.000 0.842 250 K HN 0.269 nan 8.250 nan 0.000 0.526 251 V N 1.076 120.848 119.914 -0.236 0.000 2.426 251 V HA -0.063 4.056 4.120 -0.001 0.000 0.242 251 V C 1.099 176.986 176.094 -0.345 0.000 1.036 251 V CA 0.826 62.923 62.300 -0.338 0.000 1.044 251 V CB 0.515 32.011 31.823 -0.545 0.000 0.688 251 V HN 0.077 nan 8.190 nan 0.000 0.462 252 V N -2.421 117.287 119.914 -0.343 0.000 2.260 252 V HA 0.428 4.547 4.120 -0.001 0.000 0.263 252 V C -1.901 174.079 176.094 -0.190 0.000 1.036 252 V CA -1.629 60.497 62.300 -0.290 0.000 0.874 252 V CB 0.333 31.936 31.823 -0.366 0.000 1.116 252 V HN 0.185 nan 8.190 nan 0.000 0.454 253 P HA -0.061 nan 4.420 nan 0.000 0.214 253 P C -1.259 175.991 177.300 -0.083 0.000 1.169 253 P CA 2.025 65.064 63.100 -0.102 0.000 0.908 253 P CB -1.056 30.589 31.700 -0.093 0.000 0.791 254 P HA 0.017 nan 4.420 nan 0.000 0.244 254 P C -0.108 177.165 177.300 -0.044 0.000 1.211 254 P CA 0.466 63.531 63.100 -0.058 0.000 0.760 254 P CB -0.213 31.452 31.700 -0.058 0.000 0.961 255 L N 1.358 122.540 121.223 -0.068 0.000 2.307 255 L HA 0.268 4.607 4.340 -0.001 0.000 0.282 255 L C 0.472 177.332 176.870 -0.018 0.000 1.051 255 L CA -0.861 53.946 54.840 -0.055 0.000 0.804 255 L CB 0.650 42.618 42.059 -0.152 0.000 1.197 255 L HN -0.111 nan 8.230 nan 0.000 0.431 256 D N 2.208 122.626 120.400 0.030 0.000 2.393 256 D HA 0.005 4.644 4.640 -0.001 0.000 0.246 256 D C 0.611 176.925 176.300 0.024 0.000 1.275 256 D CA -0.143 53.884 54.000 0.044 0.000 0.979 256 D CB 0.465 41.323 40.800 0.097 0.000 1.101 256 D HN 0.598 nan 8.370 nan 0.000 0.505 257 E N -0.801 119.422 120.200 0.037 0.000 2.072 257 E HA -0.159 4.191 4.350 -0.001 0.000 0.191 257 E C 1.269 177.893 176.600 0.039 0.000 0.985 257 E CA 1.037 57.454 56.400 0.029 0.000 0.801 257 E CB -0.004 29.715 29.700 0.031 0.000 0.750 257 E HN 0.424 nan 8.360 nan 0.000 0.452 258 D N -0.016 120.439 120.400 0.092 0.000 2.144 258 D HA -0.110 4.529 4.640 -0.001 0.000 0.199 258 D C 1.926 178.195 176.300 -0.051 0.000 0.984 258 D CA 1.234 55.337 54.000 0.172 0.000 0.834 258 D CB -0.518 40.464 40.800 0.302 0.000 0.955 258 D HN 0.259 nan 8.370 nan 0.000 0.465 259 G N 0.399 109.040 108.800 -0.266 0.000 2.404 259 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.215 259 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.215 259 G C 1.708 176.391 174.900 -0.363 0.000 1.174 259 G CA 0.263 44.897 45.100 -0.777 0.000 0.780 259 G HN 0.221 nan 8.290 nan 0.000 0.537 260 R N 0.275 120.680 120.500 -0.158 0.000 2.115 260 R HA -0.002 4.337 4.340 -0.001 0.000 0.230 260 R C 2.854 179.098 176.300 -0.093 0.000 1.111 260 R CA 1.160 57.245 56.100 -0.025 0.000 0.976 260 R CB -0.385 29.948 30.300 0.055 0.000 0.870 260 R HN 0.401 nan 8.270 nan 0.000 0.445 261 S N 1.079 116.733 115.700 -0.077 0.000 2.368 261 S HA -0.125 4.344 4.470 -0.001 0.000 0.225 261 S C 1.889 176.463 174.600 -0.044 0.000 1.030 261 S CA 0.949 59.133 58.200 -0.026 0.000 0.999 261 S CB -0.091 63.190 63.200 0.135 0.000 0.844 261 S HN 0.217 nan 8.310 nan 0.000 0.459 262 L N 1.270 122.346 121.223 -0.245 0.000 2.005 262 L HA 0.098 4.437 4.340 -0.001 0.000 0.207 262 L C 2.188 178.993 176.870 -0.109 0.000 1.072 262 L CA 1.704 56.309 54.840 -0.392 0.000 0.744 262 L CB -0.880 40.704 42.059 -0.790 0.000 0.895 262 L HN 0.433 nan 8.230 nan 0.000 0.433 263 L N -0.637 120.578 121.223 -0.014 0.000 2.083 263 L HA -0.175 4.164 4.340 -0.001 0.000 0.209 263 L C 2.726 179.644 176.870 0.080 0.000 1.083 263 L CA 2.119 57.031 54.840 0.121 0.000 0.752 263 L CB -0.895 41.234 42.059 0.118 0.000 0.899 263 L HN 0.614 nan 8.230 nan 0.000 0.433 264 S N -1.658 113.978 115.700 -0.108 0.000 2.406 264 S HA -0.196 4.274 4.470 -0.001 0.000 0.228 264 S C 1.830 176.360 174.600 -0.117 0.000 1.020 264 S CA 1.032 59.017 58.200 -0.357 0.000 0.965 264 S CB -0.446 62.234 63.200 -0.865 0.000 0.798 264 S HN 0.696 nan 8.310 nan 0.000 0.488 265 Q N -0.041 119.744 119.800 -0.026 0.000 2.311 265 Q HA 0.216 4.555 4.340 -0.001 0.000 0.203 265 Q C 2.036 178.092 176.000 0.093 0.000 0.954 265 Q CA 0.980 56.830 55.803 0.077 0.000 0.885 265 Q CB -0.215 28.578 28.738 0.091 0.000 0.963 265 Q HN 0.642 nan 8.270 nan 0.000 0.471 266 M N -0.210 119.425 119.600 0.058 0.000 2.447 266 M HA -0.011 4.468 4.480 -0.001 0.000 0.264 266 M C 1.094 177.404 176.300 0.016 0.000 1.095 266 M CA 0.967 56.303 55.300 0.061 0.000 1.125 266 M CB 0.390 33.020 32.600 0.049 0.000 1.389 266 M HN 0.106 nan 8.290 nan 0.000 0.459 267 L N -0.856 120.339 121.223 -0.046 0.000 2.872 267 L HA 0.181 4.520 4.340 -0.001 0.000 0.245 267 L C 0.526 177.430 176.870 0.057 0.000 1.211 267 L CA -0.428 54.291 54.840 -0.201 0.000 1.013 267 L CB -0.462 41.422 42.059 -0.291 0.000 1.326 267 L HN 0.203 nan 8.230 nan 0.000 0.525 268 H N -0.276 118.816 119.070 0.036 0.000 3.001 268 H HA -0.082 4.473 4.556 -0.001 0.000 0.334 268 H C 0.479 175.815 175.328 0.014 0.000 1.034 268 H CA 0.851 56.908 56.048 0.015 0.000 1.420 268 H CB 0.900 30.665 29.762 0.005 0.000 1.405 268 H HN 0.078 nan 8.280 nan 0.000 0.593 269 Y N 1.762 122.107 120.300 0.075 0.000 2.114 269 Y HA -0.190 4.359 4.550 -0.001 0.000 0.284 269 Y C 1.315 176.690 175.900 -0.875 0.000 1.143 269 Y CA 1.602 59.566 58.100 -0.228 0.000 1.135 269 Y CB -0.162 38.292 38.460 -0.009 0.000 0.980 269 Y HN 0.602 nan 8.280 nan 0.000 0.499 270 D N 0.380 120.542 120.400 -0.396 0.000 2.339 270 D HA 0.058 4.697 4.640 -0.001 0.000 0.256 270 D C -2.007 174.082 176.300 -0.353 0.000 1.214 270 D CA -2.129 51.438 54.000 -0.723 0.000 0.877 270 D CB 1.219 41.889 40.800 -0.216 0.000 1.111 270 D HN 0.001 nan 8.370 nan 0.000 0.478 271 P HA -0.111 nan 4.420 nan 0.000 0.219 271 P C 0.804 178.052 177.300 -0.086 0.000 1.146 271 P CA 0.780 63.803 63.100 -0.128 0.000 0.808 271 P CB 0.291 31.957 31.700 -0.057 0.000 0.779 272 N N -0.712 117.937 118.700 -0.086 0.000 2.300 272 N HA -0.065 4.675 4.740 -0.001 0.000 0.179 272 N C 1.334 176.773 175.510 -0.118 0.000 1.016 272 N CA 0.976 53.986 53.050 -0.066 0.000 0.876 272 N CB -0.168 38.304 38.487 -0.025 0.000 0.979 272 N HN 0.168 nan 8.380 nan 0.000 0.432 273 K N 0.907 121.168 120.400 -0.231 0.000 2.400 273 K HA 0.057 4.377 4.320 -0.001 0.000 0.194 273 K C 0.794 177.158 176.600 -0.394 0.000 1.033 273 K CA -0.100 55.945 56.287 -0.405 0.000 1.021 273 K CB 0.278 32.290 32.500 -0.813 0.000 0.808 273 K HN 0.149 nan 8.250 nan 0.000 0.505 274 R N 1.678 122.044 120.500 -0.224 0.000 2.537 274 R HA 0.112 4.451 4.340 -0.001 0.000 0.280 274 R C 0.060 176.358 176.300 -0.003 0.000 1.058 274 R CA -0.075 55.999 56.100 -0.043 0.000 1.057 274 R CB 0.221 30.550 30.300 0.048 0.000 0.973 274 R HN 0.054 nan 8.270 nan 0.000 0.438 275 I N 3.577 124.174 120.570 0.045 0.000 2.648 275 I HA -0.042 4.128 4.170 -0.001 0.000 0.284 275 I C 0.308 176.476 176.117 0.085 0.000 1.153 275 I CA 0.328 61.667 61.300 0.066 0.000 1.426 275 I CB 0.838 38.898 38.000 0.099 0.000 1.381 275 I HN 0.823 nan 8.210 nan 0.000 0.571 276 S N 5.823 121.574 115.700 0.084 0.000 2.614 276 S HA 0.385 4.854 4.470 -0.001 0.000 0.265 276 S C 1.063 175.737 174.600 0.124 0.000 1.303 276 S CA -0.175 58.089 58.200 0.107 0.000 1.000 276 S CB 1.638 64.894 63.200 0.094 0.000 0.935 276 S HN 0.804 nan 8.310 nan 0.000 0.551 277 A N 1.479 124.384 122.820 0.141 0.000 1.877 277 A HA -0.072 4.247 4.320 -0.001 0.000 0.216 277 A C 2.224 179.853 177.584 0.074 0.000 1.186 277 A CA 1.537 53.630 52.037 0.093 0.000 0.620 277 A CB -0.938 18.093 19.000 0.051 0.000 0.822 277 A HN 0.897 nan 8.150 nan 0.000 0.443 278 K N -0.570 119.879 120.400 0.082 0.000 2.020 278 K HA -0.174 4.145 4.320 -0.001 0.000 0.212 278 K C 2.310 178.968 176.600 0.097 0.000 1.050 278 K CA 1.362 57.693 56.287 0.073 0.000 0.929 278 K CB -0.349 32.194 32.500 0.072 0.000 0.714 278 K HN 0.449 nan 8.250 nan 0.000 0.443 279 A N 1.032 123.917 122.820 0.108 0.000 1.933 279 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 279 A C 2.267 179.965 177.584 0.191 0.000 1.175 279 A CA 1.857 53.971 52.037 0.128 0.000 0.628 279 A CB -0.555 18.510 19.000 0.108 0.000 0.814 279 A HN 0.401 nan 8.150 nan 0.000 0.444 280 A N -0.308 122.634 122.820 0.203 0.000 1.969 280 A HA 0.009 4.328 4.320 -0.001 0.000 0.218 280 A C 2.072 179.916 177.584 0.434 0.000 1.169 280 A CA 1.344 53.560 52.037 0.299 0.000 0.635 280 A CB -0.530 18.615 19.000 0.241 0.000 0.810 280 A HN 0.477 nan 8.150 nan 0.000 0.445 281 L N -1.046 120.335 121.223 0.264 0.000 2.201 281 L HA -0.114 4.226 4.340 -0.001 0.000 0.212 281 L C 2.639 179.724 176.870 0.358 0.000 1.105 281 L CA 0.825 55.809 54.840 0.240 0.000 0.775 281 L CB -0.296 41.787 42.059 0.041 0.000 0.913 281 L HN 0.421 nan 8.230 nan 0.000 0.440 282 A N -2.179 120.814 122.820 0.289 0.000 2.251 282 A HA -0.049 4.270 4.320 -0.001 0.000 0.209 282 A C 0.835 178.577 177.584 0.263 0.000 1.187 282 A CA -0.084 52.096 52.037 0.237 0.000 0.823 282 A CB -0.612 18.479 19.000 0.151 0.000 0.846 282 A HN 0.283 nan 8.150 nan 0.000 0.486 283 H N 0.611 119.847 119.070 0.276 0.000 2.683 283 H HA 0.162 4.717 4.556 -0.001 0.000 0.339 283 H C -1.841 173.589 175.328 0.171 0.000 1.081 283 H CA -1.582 54.587 56.048 0.203 0.000 1.432 283 H CB 1.305 31.185 29.762 0.198 0.000 1.462 283 H HN -0.002 nan 8.280 nan 0.000 0.557 284 P HA -0.195 nan 4.420 nan 0.000 0.220 284 P C 1.405 178.837 177.300 0.221 0.000 1.144 284 P CA 0.846 64.013 63.100 0.111 0.000 0.800 284 P CB -0.191 31.496 31.700 -0.021 0.000 0.772 285 F N -0.428 119.652 119.950 0.217 0.000 2.154 285 F HA -0.150 4.376 4.527 -0.001 0.000 0.301 285 F C 1.324 176.965 175.800 -0.265 0.000 1.087 285 F CA 1.341 59.256 58.000 -0.142 0.000 1.274 285 F CB -0.687 38.020 39.000 -0.489 0.000 1.009 285 F HN -0.174 nan 8.300 nan 0.000 0.485 286 F N 0.006 119.945 119.950 -0.019 0.000 2.660 286 F HA 0.204 4.730 4.527 -0.001 0.000 0.297 286 F C 1.979 177.629 175.800 -0.250 0.000 1.132 286 F CA -0.073 57.770 58.000 -0.263 0.000 1.372 286 F CB -0.939 37.972 39.000 -0.148 0.000 1.003 286 F HN 0.014 nan 8.300 nan 0.000 0.524 287 Q N 0.559 120.343 119.800 -0.027 0.000 2.172 287 Q HA -0.125 4.214 4.340 -0.001 0.000 0.200 287 Q C 0.786 176.735 176.000 -0.085 0.000 0.964 287 Q CA 1.386 57.171 55.803 -0.031 0.000 0.855 287 Q CB 0.158 28.894 28.738 -0.003 0.000 0.918 287 Q HN 0.379 nan 8.270 nan 0.000 0.444 288 D N -0.541 119.782 120.400 -0.128 0.000 2.643 288 D HA 0.023 4.663 4.640 -0.001 0.000 0.244 288 D C -0.214 175.980 176.300 -0.176 0.000 1.257 288 D CA -0.276 53.647 54.000 -0.129 0.000 0.831 288 D CB -0.061 40.677 40.800 -0.104 0.000 1.043 288 D HN -0.033 nan 8.370 nan 0.000 0.488 289 V N 1.792 121.564 119.914 -0.238 0.000 2.529 289 V HA 0.307 4.426 4.120 -0.001 0.000 0.292 289 V C 0.327 176.299 176.094 -0.204 0.000 1.028 289 V CA 0.567 62.699 62.300 -0.280 0.000 1.074 289 V CB 0.445 31.943 31.823 -0.542 0.000 0.958 289 V HN 0.539 nan 8.190 nan 0.000 0.481 290 T N 3.527 117.995 114.554 -0.143 0.000 2.841 290 T HA 0.492 4.841 4.350 -0.001 0.000 0.276 290 T C -0.235 174.424 174.700 -0.068 0.000 1.003 290 T CA -0.838 61.206 62.100 -0.094 0.000 0.995 290 T CB 1.586 70.408 68.868 -0.076 0.000 1.260 290 T HN 0.618 nan 8.240 nan 0.000 0.581 291 K N 2.311 122.683 120.400 -0.047 0.000 2.682 291 K HA 0.340 4.659 4.320 -0.001 0.000 0.189 291 K C -2.365 174.210 176.600 -0.041 0.000 1.062 291 K CA -1.756 54.512 56.287 -0.031 0.000 0.997 291 K CB 0.435 32.929 32.500 -0.009 0.000 1.405 291 K HN 0.533 nan 8.250 nan 0.000 0.588 292 P HA 0.135 nan 4.420 nan 0.000 0.276 292 P C -0.397 176.861 177.300 -0.069 0.000 1.252 292 P CA -0.557 62.507 63.100 -0.060 0.000 0.802 292 P CB 1.189 32.846 31.700 -0.071 0.000 1.035 293 V N -1.970 117.915 119.914 -0.048 0.000 2.547 293 V HA 0.611 4.730 4.120 -0.001 0.000 0.299 293 V C -2.315 173.758 176.094 -0.035 0.000 1.040 293 V CA -2.302 59.968 62.300 -0.050 0.000 0.913 293 V CB 0.929 32.727 31.823 -0.042 0.000 0.992 293 V HN 0.484 nan 8.190 nan 0.000 0.449 294 P HA 0.197 nan 4.420 nan 0.000 0.277 294 P C -0.652 176.683 177.300 0.059 0.000 1.240 294 P CA -0.157 62.937 63.100 -0.010 0.000 0.798 294 P CB 0.485 31.993 31.700 -0.319 0.000 0.979 295 H N 2.854 122.003 119.070 0.132 0.000 3.109 295 H HA 0.238 4.793 4.556 -0.001 0.000 0.266 295 H C -1.043 174.379 175.328 0.157 0.000 1.334 295 H CA -0.281 55.835 56.048 0.114 0.000 1.456 295 H CB -0.195 29.637 29.762 0.116 0.000 1.587 295 H HN 0.161 nan 8.280 nan 0.000 0.500 296 L N 4.565 125.726 121.223 -0.103 0.000 2.317 296 L HA 0.637 4.976 4.340 -0.001 0.000 0.281 296 L C 0.237 177.088 176.870 -0.033 0.000 1.024 296 L CA 0.030 54.832 54.840 -0.065 0.000 0.810 296 L CB 1.287 43.140 42.059 -0.343 0.000 1.240 296 L HN 0.913 nan 8.230 nan 0.000 0.427 297 R N 0.000 120.592 120.500 0.153 0.000 2.786 297 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 297 R CA 0.000 nan 56.100 nan 0.000 0.921 297 R CB 0.000 nan 30.300 nan 0.000 0.687 297 R HN 0.000 nan 8.270 nan 0.000 0.535