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 2uze_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 AFGVPVRTYX 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 0.000 176.303 176.300 0.006 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.529 32.600 -0.119 0.000 1.302 2 E N -1.124 119.056 120.200 -0.033 0.000 2.447 2 E HA 0.101 4.453 4.350 0.003 0.000 0.195 2 E C 0.959 177.495 176.600 -0.106 0.000 1.028 2 E CA 0.666 57.034 56.400 -0.054 0.000 0.876 2 E CB 0.032 29.703 29.700 -0.048 0.000 0.885 2 E HN 0.199 nan 8.360 nan 0.000 0.500 3 N N 0.101 118.678 118.700 -0.205 0.000 2.550 3 N HA 0.053 4.795 4.740 0.003 0.000 0.186 3 N C -0.993 174.208 175.510 -0.514 0.000 1.110 3 N CA 0.465 53.292 53.050 -0.372 0.000 0.912 3 N CB 0.035 38.213 38.487 -0.515 0.000 0.968 3 N HN 0.120 nan 8.380 nan 0.000 0.448 4 F N 0.293 120.184 119.950 -0.098 0.000 2.427 4 F HA 0.349 4.878 4.527 0.003 0.000 0.346 4 F C 0.552 176.291 175.800 -0.102 0.000 1.120 4 F CA -1.094 56.843 58.000 -0.104 0.000 1.033 4 F CB 1.402 40.319 39.000 -0.139 0.000 1.126 4 F HN -0.265 nan 8.300 nan 0.000 0.462 5 Q N 3.776 123.636 119.800 0.099 0.000 2.340 5 Q HA 0.297 4.639 4.340 0.003 0.000 0.259 5 Q C -0.783 175.235 176.000 0.031 0.000 0.964 5 Q CA -0.490 55.333 55.803 0.034 0.000 0.900 5 Q CB 0.848 29.589 28.738 0.005 0.000 1.228 5 Q HN 0.469 nan 8.270 nan 0.000 0.449 6 K N 2.281 122.672 120.400 -0.014 0.000 2.382 6 K HA 0.105 4.427 4.320 0.003 0.000 0.275 6 K C 0.040 176.640 176.600 0.000 0.000 1.009 6 K CA -0.122 56.146 56.287 -0.032 0.000 0.970 6 K CB 0.943 33.372 32.500 -0.119 0.000 0.934 6 K HN 0.508 nan 8.250 nan 0.000 0.479 7 V N 1.808 121.736 119.914 0.024 0.000 3.013 7 V HA 0.010 4.132 4.120 0.003 0.000 0.238 7 V C -0.158 175.965 176.094 0.048 0.000 1.161 7 V CA 0.681 62.990 62.300 0.015 0.000 1.170 7 V CB 0.011 31.815 31.823 -0.031 0.000 0.917 7 V HN 0.984 nan 8.190 nan 0.000 0.478 8 E N -0.301 119.959 120.200 0.099 0.000 2.419 8 E HA 0.237 4.589 4.350 0.003 0.000 0.285 8 E C -1.115 175.600 176.600 0.193 0.000 1.079 8 E CA -0.839 55.634 56.400 0.123 0.000 0.864 8 E CB 1.286 31.032 29.700 0.077 0.000 1.216 8 E HN 0.074 nan 8.360 nan 0.000 0.428 9 K N 2.902 123.411 120.400 0.182 0.000 2.402 9 K HA 0.155 4.477 4.320 0.003 0.000 0.285 9 K C 0.799 177.379 176.600 -0.034 0.000 1.054 9 K CA -0.014 56.282 56.287 0.016 0.000 1.001 9 K CB 0.156 32.641 32.500 -0.025 0.000 0.946 9 K HN 0.601 nan 8.250 nan 0.000 0.473 10 I N 1.471 122.002 120.570 -0.064 0.000 3.891 10 I HA 0.398 4.570 4.170 0.003 0.000 0.331 10 I C 0.651 176.720 176.117 -0.081 0.000 1.406 10 I CA -0.276 61.011 61.300 -0.021 0.000 1.139 10 I CB -0.063 37.982 38.000 0.074 0.000 1.056 10 I HN 0.796 nan 8.210 nan 0.000 0.399 11 G N 1.571 110.284 108.800 -0.144 0.000 2.240 11 G HA2 0.008 3.970 3.960 0.003 0.000 0.199 11 G HA3 0.008 3.970 3.960 0.003 0.000 0.199 11 G C -1.495 173.302 174.900 -0.172 0.000 1.342 11 G CA -0.733 44.286 45.100 -0.135 0.000 1.145 11 G HN 0.359 nan 8.290 nan 0.000 0.477 12 E N -0.245 119.872 120.200 -0.138 0.000 2.246 12 E HA 0.544 4.896 4.350 0.003 0.000 0.266 12 E C 0.415 176.936 176.600 -0.133 0.000 0.880 12 E CA -0.248 56.069 56.400 -0.139 0.000 0.762 12 E CB 1.926 31.565 29.700 -0.102 0.000 1.180 12 E HN 0.870 nan 8.360 nan 0.000 0.416 13 G N 0.456 109.159 108.800 -0.162 0.000 2.667 13 G HA2 0.063 4.025 3.960 0.003 0.000 0.250 13 G HA3 0.063 4.025 3.960 0.003 0.000 0.250 13 G C 1.014 175.854 174.900 -0.101 0.000 1.212 13 G CA -0.076 44.931 45.100 -0.156 0.000 0.874 13 G HN 0.597 nan 8.290 nan 0.000 0.561 14 T N -2.295 112.242 114.554 -0.028 0.000 3.007 14 T HA -0.011 4.341 4.350 0.003 0.000 0.270 14 T C 0.569 175.343 174.700 0.124 0.000 1.107 14 T CA 1.353 63.473 62.100 0.033 0.000 1.118 14 T CB -0.484 68.401 68.868 0.028 0.000 0.889 14 T HN 0.665 nan 8.240 nan 0.000 0.506 15 Y N -0.194 120.085 120.300 -0.036 0.000 2.462 15 Y HA 0.632 5.184 4.550 0.003 0.000 0.346 15 Y C 0.254 176.139 175.900 -0.024 0.000 0.976 15 Y CA -1.095 56.990 58.100 -0.026 0.000 1.044 15 Y CB 1.239 39.689 38.460 -0.017 0.000 1.230 15 Y HN 0.374 nan 8.280 nan 0.000 0.455 16 G N 1.102 109.806 108.800 -0.161 0.000 2.757 16 G HA2 -0.036 3.926 3.960 0.003 0.000 0.686 16 G HA3 -0.036 3.926 3.960 0.003 0.000 0.686 16 G C -1.263 173.517 174.900 -0.201 0.000 1.452 16 G CA -0.603 44.360 45.100 -0.229 0.000 0.922 16 G HN 1.196 nan 8.290 nan 0.000 0.588 17 V N 0.513 120.335 119.914 -0.154 0.000 2.509 17 V HA 0.595 4.717 4.120 0.003 0.000 0.284 17 V C 0.908 176.829 176.094 -0.289 0.000 1.047 17 V CA -0.828 61.326 62.300 -0.242 0.000 0.952 17 V CB 1.525 33.178 31.823 -0.284 0.000 0.988 17 V HN 0.944 nan 8.190 nan 0.000 0.469 18 V N 5.014 124.712 119.914 -0.360 0.000 2.394 18 V HA 0.476 4.598 4.120 0.003 0.000 0.282 18 V C -0.777 175.094 176.094 -0.371 0.000 1.031 18 V CA -0.509 61.652 62.300 -0.232 0.000 0.881 18 V CB 0.737 32.479 31.823 -0.136 0.000 0.982 18 V HN 0.754 nan 8.190 nan 0.000 0.451 19 Y N 2.332 122.672 120.300 0.067 0.000 2.468 19 Y HA 0.516 5.068 4.550 0.003 0.000 0.342 19 Y C 0.276 176.228 175.900 0.086 0.000 1.021 19 Y CA -0.997 57.142 58.100 0.065 0.000 1.079 19 Y CB 1.642 40.131 38.460 0.049 0.000 1.226 19 Y HN 0.457 nan 8.280 nan 0.000 0.460 20 K N 1.780 122.319 120.400 0.232 0.000 2.205 20 K HA 0.794 5.116 4.320 0.003 0.000 0.279 20 K C -1.030 175.591 176.600 0.034 0.000 1.027 20 K CA -0.196 56.143 56.287 0.085 0.000 0.932 20 K CB 0.538 33.014 32.500 -0.039 0.000 1.032 20 K HN 0.866 nan 8.250 nan 0.000 0.466 21 A N 3.679 126.482 122.820 -0.029 0.000 2.609 21 A HA 0.636 4.959 4.320 0.003 0.000 0.291 21 A C -1.569 176.032 177.584 0.028 0.000 1.096 21 A CA -1.061 50.977 52.037 0.002 0.000 0.684 21 A CB 1.337 20.317 19.000 -0.034 0.000 1.282 21 A HN 0.918 nan 8.150 nan 0.000 0.412 22 R N 1.066 121.630 120.500 0.106 0.000 2.725 22 R HA 0.531 4.873 4.340 0.003 0.000 0.277 22 R C -1.114 175.287 176.300 0.169 0.000 0.987 22 R CA -0.823 55.346 56.100 0.113 0.000 0.901 22 R CB 1.358 31.664 30.300 0.010 0.000 1.207 22 R HN 0.569 nan 8.270 nan 0.000 0.463 23 N N 2.351 121.110 118.700 0.099 0.000 2.431 23 N HA 0.009 4.751 4.740 0.003 0.000 0.265 23 N C 0.067 175.506 175.510 -0.119 0.000 1.184 23 N CA 0.158 53.127 53.050 -0.135 0.000 0.943 23 N CB 1.058 39.461 38.487 -0.139 0.000 1.080 23 N HN 0.665 nan 8.380 nan 0.000 0.477 24 K N 3.074 123.380 120.400 -0.158 0.000 2.147 24 K HA -0.091 4.231 4.320 0.003 0.000 0.205 24 K C 1.491 178.033 176.600 -0.097 0.000 1.049 24 K CA 1.102 57.327 56.287 -0.105 0.000 0.936 24 K CB 0.253 32.688 32.500 -0.108 0.000 0.722 24 K HN 0.541 nan 8.250 nan 0.000 0.446 25 L N -0.008 121.140 121.223 -0.125 0.000 2.168 25 L HA -0.069 4.273 4.340 0.003 0.000 0.203 25 L C 2.529 179.354 176.870 -0.074 0.000 1.078 25 L CA 1.276 56.058 54.840 -0.097 0.000 0.780 25 L CB -0.271 41.720 42.059 -0.114 0.000 0.939 25 L HN 0.269 nan 8.230 nan 0.000 0.451 26 T N -4.410 110.098 114.554 -0.076 0.000 3.022 26 T HA 0.224 4.576 4.350 0.003 0.000 0.250 26 T C 1.506 176.188 174.700 -0.031 0.000 1.060 26 T CA 0.540 62.612 62.100 -0.047 0.000 1.013 26 T CB 0.743 69.587 68.868 -0.041 0.000 0.982 26 T HN 0.415 nan 8.240 nan 0.000 0.508 27 G N 1.378 110.158 108.800 -0.034 0.000 2.184 27 G HA2 -0.299 3.663 3.960 0.003 0.000 0.264 27 G HA3 -0.299 3.663 3.960 0.003 0.000 0.264 27 G C -0.118 174.781 174.900 -0.001 0.000 0.975 27 G CA 0.361 45.450 45.100 -0.019 0.000 0.642 27 G HN 0.840 nan 8.290 nan 0.000 0.536 28 E N 0.472 120.680 120.200 0.014 0.000 2.376 28 E HA 0.365 4.717 4.350 0.003 0.000 0.266 28 E C 0.273 176.912 176.600 0.065 0.000 1.009 28 E CA -0.322 56.105 56.400 0.046 0.000 0.902 28 E CB 0.614 30.353 29.700 0.065 0.000 0.972 28 E HN 0.154 nan 8.360 nan 0.000 0.439 29 V N 5.871 125.811 119.914 0.043 0.000 2.465 29 V HA 0.282 4.405 4.120 0.003 0.000 0.279 29 V C 0.319 176.463 176.094 0.085 0.000 1.045 29 V CA -0.342 61.948 62.300 -0.016 0.000 0.938 29 V CB 0.943 32.673 31.823 -0.155 0.000 0.986 29 V HN 0.554 nan 8.190 nan 0.000 0.467 30 V N 2.126 122.093 119.914 0.088 0.000 3.141 30 V HA 1.042 5.164 4.120 0.003 0.000 0.312 30 V C -0.197 176.038 176.094 0.235 0.000 1.157 30 V CA -0.957 61.456 62.300 0.187 0.000 1.041 30 V CB 2.076 33.971 31.823 0.120 0.000 1.071 30 V HN 1.040 nan 8.190 nan 0.000 0.441 31 A N 2.337 125.350 122.820 0.321 0.000 2.304 31 A HA 0.868 5.190 4.320 0.003 0.000 0.323 31 A C -0.686 177.036 177.584 0.231 0.000 1.195 31 A CA -0.698 51.530 52.037 0.318 0.000 0.826 31 A CB 0.666 19.858 19.000 0.320 0.000 1.184 31 A HN 0.974 nan 8.150 nan 0.000 0.496 32 L N 2.399 123.739 121.223 0.195 0.000 2.296 32 L HA 0.464 4.806 4.340 0.003 0.000 0.286 32 L C 0.330 177.377 176.870 0.294 0.000 1.023 32 L CA -0.452 54.502 54.840 0.190 0.000 0.812 32 L CB 1.663 43.796 42.059 0.123 0.000 1.223 32 L HN 0.669 nan 8.230 nan 0.000 0.421 33 K N 4.438 125.008 120.400 0.283 0.000 2.281 33 K HA 0.229 4.551 4.320 0.003 0.000 0.272 33 K C -0.584 176.070 176.600 0.090 0.000 1.048 33 K CA -0.600 55.792 56.287 0.175 0.000 0.898 33 K CB 1.026 33.648 32.500 0.204 0.000 1.128 33 K HN 0.430 nan 8.250 nan 0.000 0.460 34 K N 5.832 126.262 120.400 0.049 0.000 2.276 34 K HA 0.219 4.541 4.320 0.003 0.000 0.285 34 K C -0.740 175.748 176.600 -0.188 0.000 1.062 34 K CA -0.363 55.813 56.287 -0.184 0.000 0.918 34 K CB 0.440 32.933 32.500 -0.012 0.000 1.055 34 K HN 0.538 nan 8.250 nan 0.000 0.477 35 I N 5.040 125.479 120.570 -0.219 0.000 2.362 35 I HA 0.307 4.479 4.170 0.003 0.000 0.289 35 I C 0.465 176.534 176.117 -0.079 0.000 0.994 35 I CA -0.715 60.533 61.300 -0.087 0.000 1.158 35 I CB 1.534 39.555 38.000 0.035 0.000 1.315 35 I HN 0.382 nan 8.210 nan 0.000 0.451 36 R N 5.726 126.213 120.500 -0.021 0.000 2.490 36 R HA 0.409 4.751 4.340 0.003 0.000 0.278 36 R C 0.345 176.660 176.300 0.025 0.000 1.069 36 R CA -0.419 55.675 56.100 -0.010 0.000 1.080 36 R CB 1.184 31.487 30.300 0.005 0.000 1.030 36 R HN 0.663 nan 8.270 nan 0.000 0.491 37 L N 1.166 122.404 121.223 0.024 0.000 2.693 37 L HA 0.136 4.478 4.340 0.003 0.000 0.235 37 L C 0.843 177.732 176.870 0.031 0.000 1.127 37 L CA 0.733 55.597 54.840 0.039 0.000 0.914 37 L CB -0.221 41.870 42.059 0.054 0.000 1.193 37 L HN 0.949 nan 8.230 nan 0.000 0.502 38 D N -0.400 120.015 120.400 0.025 0.000 2.911 38 D HA -0.261 4.381 4.640 0.003 0.000 0.227 38 D C 1.131 177.443 176.300 0.020 0.000 1.164 38 D CA 1.367 55.381 54.000 0.023 0.000 0.782 38 D CB -2.257 38.558 40.800 0.024 0.000 1.094 38 D HN 0.729 nan 8.370 nan 0.000 0.425 39 T N -3.139 111.427 114.554 0.020 0.000 8.413 39 T HA -0.273 4.079 4.350 0.003 0.000 0.334 39 T C 1.264 175.973 174.700 0.016 0.000 1.928 39 T CA 3.133 65.244 62.100 0.017 0.000 2.815 39 T CB -1.132 67.745 68.868 0.016 0.000 2.611 39 T HN 1.137 nan 8.240 nan 0.000 1.239 40 E N -1.838 118.372 120.200 0.017 0.000 3.874 40 E HA 0.131 4.483 4.350 0.003 0.000 0.216 40 E C 2.085 178.694 176.600 0.015 0.000 1.307 40 E CA 1.156 57.565 56.400 0.015 0.000 1.536 40 E CB -0.212 29.496 29.700 0.013 0.000 1.996 40 E HN 0.548 nan 8.360 nan 0.000 0.602 41 T N 0.515 115.079 114.554 0.015 0.000 2.914 41 T HA 0.087 4.440 4.350 0.003 0.000 0.240 41 T C 1.469 176.178 174.700 0.015 0.000 1.025 41 T CA 0.699 62.807 62.100 0.014 0.000 1.198 41 T CB -0.027 68.848 68.868 0.012 0.000 0.892 41 T HN -0.106 nan 8.240 nan 0.000 0.417 42 E N 0.711 120.920 120.200 0.016 0.000 2.472 42 E HA 0.388 4.740 4.350 0.003 0.000 0.196 42 E C 1.113 177.724 176.600 0.019 0.000 1.033 42 E CA 0.397 56.806 56.400 0.014 0.000 0.886 42 E CB 0.106 29.811 29.700 0.008 0.000 0.944 42 E HN 0.662 nan 8.360 nan 0.000 0.492 43 G N -0.012 108.804 108.800 0.027 0.000 2.542 43 G HA2 -0.292 3.670 3.960 0.003 0.000 0.235 43 G HA3 -0.292 3.670 3.960 0.003 0.000 0.235 43 G C -0.325 174.602 174.900 0.045 0.000 1.286 43 G CA -0.339 44.784 45.100 0.039 0.000 0.904 43 G HN 0.083 nan 8.290 nan 0.000 0.577 44 V N 3.285 123.232 119.914 0.055 0.000 2.479 44 V HA 0.349 4.471 4.120 0.003 0.000 0.281 44 V C -1.292 174.811 176.094 0.014 0.000 1.031 44 V CA -0.229 62.099 62.300 0.045 0.000 1.038 44 V CB 0.744 32.588 31.823 0.035 0.000 0.981 44 V HN 0.628 nan 8.190 nan 0.000 0.478 45 P HA 0.030 nan 4.420 nan 0.000 0.264 45 P C 0.970 178.232 177.300 -0.062 0.000 1.183 45 P CA 0.219 63.297 63.100 -0.038 0.000 0.763 45 P CB 0.551 32.217 31.700 -0.057 0.000 0.807 46 S N 0.867 116.524 115.700 -0.072 0.000 2.419 46 S HA -0.173 4.299 4.470 0.003 0.000 0.233 46 S C 1.917 176.460 174.600 -0.095 0.000 1.016 46 S CA 1.715 59.877 58.200 -0.063 0.000 0.974 46 S CB -1.256 61.914 63.200 -0.049 0.000 0.786 46 S HN 0.519 nan 8.310 nan 0.000 0.492 47 T N 1.621 116.061 114.554 -0.190 0.000 2.746 47 T HA 0.005 4.357 4.350 0.003 0.000 0.267 47 T C 1.919 176.526 174.700 -0.154 0.000 1.039 47 T CA 1.656 63.579 62.100 -0.296 0.000 1.142 47 T CB -0.856 67.600 68.868 -0.687 0.000 0.866 47 T HN 0.631 nan 8.240 nan 0.000 0.444 48 A N 0.511 123.285 122.820 -0.076 0.000 1.897 48 A HA 0.123 4.445 4.320 0.003 0.000 0.215 48 A C 2.290 179.901 177.584 0.044 0.000 1.181 48 A CA 1.191 53.296 52.037 0.113 0.000 0.620 48 A CB -0.714 18.370 19.000 0.141 0.000 0.821 48 A HN 0.603 nan 8.150 nan 0.000 0.443 49 I N -0.522 120.046 120.570 -0.004 0.000 2.118 49 I HA -0.335 3.837 4.170 0.003 0.000 0.241 49 I C 2.839 178.957 176.117 0.003 0.000 1.070 49 I CA 1.703 62.995 61.300 -0.013 0.000 1.327 49 I CB -0.272 37.717 38.000 -0.019 0.000 1.034 49 I HN 0.308 nan 8.210 nan 0.000 0.405 50 R N 0.182 120.686 120.500 0.007 0.000 2.070 50 R HA -0.229 4.113 4.340 0.003 0.000 0.233 50 R C 2.266 178.603 176.300 0.063 0.000 1.137 50 R CA 1.813 57.928 56.100 0.025 0.000 0.945 50 R CB -0.502 29.809 30.300 0.017 0.000 0.845 50 R HN 0.420 nan 8.270 nan 0.000 0.430 51 E N 1.052 121.313 120.200 0.101 0.000 2.070 51 E HA -0.223 4.129 4.350 0.003 0.000 0.197 51 E C 1.906 178.576 176.600 0.117 0.000 1.004 51 E CA 1.441 57.945 56.400 0.174 0.000 0.805 51 E CB -0.046 29.814 29.700 0.267 0.000 0.744 51 E HN 0.315 nan 8.360 nan 0.000 0.451 52 I N 0.803 121.414 120.570 0.068 0.000 2.233 52 I HA -0.232 3.940 4.170 0.003 0.000 0.243 52 I C 2.609 178.723 176.117 -0.006 0.000 1.093 52 I CA 1.162 62.470 61.300 0.014 0.000 1.380 52 I CB -0.320 37.667 38.000 -0.022 0.000 1.067 52 I HN 0.169 nan 8.210 nan 0.000 0.413 53 S N 1.582 117.281 115.700 -0.002 0.000 2.368 53 S HA -0.127 4.345 4.470 0.003 0.000 0.225 53 S C 1.974 176.567 174.600 -0.012 0.000 1.030 53 S CA 1.082 59.278 58.200 -0.008 0.000 0.999 53 S CB -0.847 62.350 63.200 -0.005 0.000 0.844 53 S HN 0.362 nan 8.310 nan 0.000 0.459 54 L N 0.251 121.469 121.223 -0.008 0.000 2.044 54 L HA 0.028 4.370 4.340 0.003 0.000 0.205 54 L C 2.452 179.252 176.870 -0.117 0.000 1.075 54 L CA 0.498 55.318 54.840 -0.035 0.000 0.747 54 L CB -0.673 41.394 42.059 0.014 0.000 0.903 54 L HN 0.234 nan 8.230 nan 0.000 0.435 55 L N 0.310 121.447 121.223 -0.142 0.000 2.129 55 L HA -0.211 4.131 4.340 0.003 0.000 0.212 55 L C 2.568 179.386 176.870 -0.086 0.000 1.087 55 L CA 1.669 56.408 54.840 -0.169 0.000 0.757 55 L CB -0.939 41.087 42.059 -0.056 0.000 0.896 55 L HN 0.208 nan 8.230 nan 0.000 0.434 56 K N -0.281 120.090 120.400 -0.049 0.000 2.147 56 K HA -0.130 4.192 4.320 0.003 0.000 0.205 56 K C 1.623 178.222 176.600 -0.001 0.000 1.049 56 K CA 1.058 57.330 56.287 -0.024 0.000 0.936 56 K CB -0.027 32.463 32.500 -0.016 0.000 0.722 56 K HN 0.503 nan 8.250 nan 0.000 0.446 57 E N 0.240 120.439 120.200 -0.001 0.000 2.479 57 E HA 0.078 4.430 4.350 0.003 0.000 0.193 57 E C 0.054 176.687 176.600 0.055 0.000 1.049 57 E CA -0.030 56.394 56.400 0.040 0.000 0.870 57 E CB 0.293 30.018 29.700 0.042 0.000 0.944 57 E HN 0.124 nan 8.360 nan 0.000 0.492 58 L N 1.926 123.156 121.223 0.012 0.000 2.825 58 L HA 0.242 4.584 4.340 0.003 0.000 0.236 58 L C -0.125 176.756 176.870 0.018 0.000 1.301 58 L CA -0.315 54.562 54.840 0.063 0.000 0.977 58 L CB 0.169 42.155 42.059 -0.122 0.000 1.300 58 L HN 0.018 nan 8.230 nan 0.000 0.486 59 N N 1.651 120.374 118.700 0.038 0.000 2.437 59 N HA 0.184 4.926 4.740 0.003 0.000 0.243 59 N C -1.139 174.198 175.510 -0.288 0.000 1.041 59 N CA -0.208 52.797 53.050 -0.074 0.000 0.940 59 N CB 0.560 39.036 38.487 -0.019 0.000 1.133 59 N HN 0.440 nan 8.380 nan 0.000 0.506 60 H N 2.956 121.771 119.070 -0.425 0.000 3.112 60 H HA 0.270 4.827 4.556 0.003 0.000 0.347 60 H C -2.287 172.856 175.328 -0.308 0.000 1.188 60 H CA -1.024 54.671 56.048 -0.588 0.000 1.240 60 H CB 1.842 31.005 29.762 -0.999 0.000 1.920 60 H HN 0.324 nan 8.280 nan 0.000 0.535 61 P HA -0.047 nan 4.420 nan 0.000 0.223 61 P C -0.252 176.937 177.300 -0.185 0.000 1.144 61 P CA 1.284 64.146 63.100 -0.398 0.000 0.783 61 P CB 0.185 31.629 31.700 -0.427 0.000 0.771 62 N N -1.327 117.382 118.700 0.015 0.000 2.234 62 N HA 0.222 4.964 4.740 0.003 0.000 0.227 62 N C -0.224 175.343 175.510 0.096 0.000 1.151 62 N CA -0.103 53.007 53.050 0.099 0.000 0.865 62 N CB 0.326 38.888 38.487 0.126 0.000 1.066 62 N HN 0.111 nan 8.380 nan 0.000 0.515 63 I N 1.005 121.627 120.570 0.087 0.000 2.465 63 I HA 0.278 4.451 4.170 0.003 0.000 0.291 63 I C -0.008 176.141 176.117 0.055 0.000 1.014 63 I CA -1.396 59.959 61.300 0.091 0.000 1.093 63 I CB 1.910 39.952 38.000 0.070 0.000 1.267 63 I HN -0.222 nan 8.210 nan 0.000 0.431 64 V N 4.021 123.982 119.914 0.078 0.000 2.752 64 V HA -0.072 4.050 4.120 0.003 0.000 0.306 64 V C 0.536 176.718 176.094 0.147 0.000 1.099 64 V CA -0.175 62.173 62.300 0.080 0.000 1.240 64 V CB -0.312 31.534 31.823 0.038 0.000 0.887 64 V HN 0.759 nan 8.190 nan 0.000 0.499 65 K N 3.585 124.072 120.400 0.145 0.000 2.297 65 K HA 0.386 4.708 4.320 0.003 0.000 0.286 65 K C -0.596 176.125 176.600 0.202 0.000 1.053 65 K CA -0.805 55.555 56.287 0.121 0.000 0.940 65 K CB 0.937 33.472 32.500 0.059 0.000 1.019 65 K HN 0.632 nan 8.250 nan 0.000 0.475 66 L N 6.576 127.848 121.223 0.082 0.000 2.315 66 L HA 0.133 4.475 4.340 0.003 0.000 0.283 66 L C 0.322 177.118 176.870 -0.122 0.000 1.089 66 L CA 0.417 55.158 54.840 -0.165 0.000 0.833 66 L CB 0.545 42.492 42.059 -0.188 0.000 1.170 66 L HN 0.830 nan 8.230 nan 0.000 0.442 67 L N 3.026 124.167 121.223 -0.136 0.000 2.307 67 L HA 0.315 4.658 4.340 0.003 0.000 0.211 67 L C 0.008 176.851 176.870 -0.046 0.000 1.099 67 L CA 0.291 55.103 54.840 -0.047 0.000 0.816 67 L CB -0.025 42.041 42.059 0.012 0.000 0.952 67 L HN 0.680 nan 8.230 nan 0.000 0.455 68 D N -2.332 118.010 120.400 -0.096 0.000 2.798 68 D HA 0.307 4.950 4.640 0.003 0.000 0.265 68 D C -1.599 174.651 176.300 -0.083 0.000 1.223 68 D CA -0.205 53.767 54.000 -0.046 0.000 0.743 68 D CB 2.054 42.872 40.800 0.029 0.000 1.276 68 D HN -0.347 nan 8.370 nan 0.000 0.421 69 V N 2.394 122.292 119.914 -0.025 0.000 2.524 69 V HA 0.479 4.601 4.120 0.003 0.000 0.297 69 V C -0.231 175.907 176.094 0.073 0.000 1.035 69 V CA -0.550 61.745 62.300 -0.009 0.000 0.867 69 V CB 1.545 33.347 31.823 -0.036 0.000 1.004 69 V HN 0.472 nan 8.190 nan 0.000 0.426 70 I N 4.891 125.538 120.570 0.128 0.000 2.306 70 I HA 0.373 4.545 4.170 0.003 0.000 0.288 70 I C -0.028 176.244 176.117 0.259 0.000 1.036 70 I CA -0.155 61.255 61.300 0.184 0.000 1.221 70 I CB 0.465 38.572 38.000 0.178 0.000 1.385 70 I HN 0.646 nan 8.210 nan 0.000 0.472 71 H N 6.348 125.470 119.070 0.088 0.000 2.718 71 H HA 0.373 4.932 4.556 0.003 0.000 0.295 71 H C -0.425 174.941 175.328 0.062 0.000 1.051 71 H CA -0.521 55.568 56.048 0.068 0.000 1.260 71 H CB 0.893 30.682 29.762 0.045 0.000 1.403 71 H HN 0.680 nan 8.280 nan 0.000 0.488 72 T N -0.128 114.437 114.554 0.018 0.000 2.870 72 T HA 0.094 4.446 4.350 0.003 0.000 0.277 72 T C 1.234 175.858 174.700 -0.128 0.000 1.000 72 T CA -0.744 61.314 62.100 -0.071 0.000 0.982 72 T CB 1.848 70.735 68.868 0.031 0.000 1.249 72 T HN 0.669 nan 8.240 nan 0.000 0.589 73 E N 0.761 120.913 120.200 -0.080 0.000 2.077 73 E HA -0.215 4.137 4.350 0.003 0.000 0.193 73 E C 1.525 178.122 176.600 -0.005 0.000 0.989 73 E CA 2.115 58.483 56.400 -0.053 0.000 0.800 73 E CB -0.316 29.365 29.700 -0.032 0.000 0.746 73 E HN 0.792 nan 8.360 nan 0.000 0.452 74 N N -0.718 117.991 118.700 0.015 0.000 2.402 74 N HA 0.081 4.824 4.740 0.003 0.000 0.174 74 N C -0.237 175.294 175.510 0.035 0.000 1.027 74 N CA 0.313 53.381 53.050 0.029 0.000 0.891 74 N CB 0.326 38.834 38.487 0.034 0.000 1.016 74 N HN -0.106 nan 8.380 nan 0.000 0.439 75 K N -0.190 120.243 120.400 0.054 0.000 2.435 75 K HA 0.525 4.847 4.320 0.003 0.000 0.251 75 K C -1.955 174.680 176.600 0.058 0.000 0.954 75 K CA -0.832 55.464 56.287 0.015 0.000 0.820 75 K CB 2.717 35.261 32.500 0.073 0.000 1.292 75 K HN -0.101 nan 8.250 nan 0.000 0.436 76 L N 2.420 123.603 121.223 -0.066 0.000 2.406 76 L HA 0.481 4.823 4.340 0.003 0.000 0.272 76 L C -1.969 174.801 176.870 -0.167 0.000 0.980 76 L CA -0.314 54.537 54.840 0.018 0.000 0.831 76 L CB 0.964 43.058 42.059 0.059 0.000 1.253 76 L HN 0.557 nan 8.230 nan 0.000 0.406 77 Y N 4.883 125.204 120.300 0.036 0.000 2.377 77 Y HA 0.639 5.191 4.550 0.003 0.000 0.339 77 Y C -0.352 175.517 175.900 -0.053 0.000 1.011 77 Y CA -0.714 57.383 58.100 -0.005 0.000 1.093 77 Y CB 1.850 40.289 38.460 -0.036 0.000 1.201 77 Y HN 0.374 nan 8.280 nan 0.000 0.455 78 L N 3.940 125.202 121.223 0.065 0.000 2.322 78 L HA 0.670 5.012 4.340 0.003 0.000 0.279 78 L C -0.873 175.872 176.870 -0.209 0.000 1.036 78 L CA -1.220 53.531 54.840 -0.148 0.000 0.807 78 L CB 1.426 43.346 42.059 -0.232 0.000 1.226 78 L HN 0.294 nan 8.230 nan 0.000 0.433 79 V N 2.943 122.640 119.914 -0.362 0.000 2.409 79 V HA 0.454 4.576 4.120 0.003 0.000 0.291 79 V C -0.464 175.429 176.094 -0.335 0.000 1.020 79 V CA -0.331 61.821 62.300 -0.247 0.000 0.848 79 V CB 1.373 33.105 31.823 -0.153 0.000 0.990 79 V HN 0.426 nan 8.190 nan 0.000 0.430 80 F N 2.024 121.989 119.950 0.025 0.000 2.556 80 F HA 0.485 5.014 4.527 0.003 0.000 0.327 80 F C 0.834 176.675 175.800 0.068 0.000 1.059 80 F CA -0.963 57.062 58.000 0.040 0.000 0.953 80 F CB 1.495 40.516 39.000 0.035 0.000 1.227 80 F HN 0.636 nan 8.300 nan 0.000 0.478 81 E N 1.068 121.427 120.200 0.264 0.000 2.437 81 E HA 0.008 4.360 4.350 0.003 0.000 0.263 81 E C -1.213 175.521 176.600 0.223 0.000 1.030 81 E CA -0.260 56.261 56.400 0.201 0.000 0.934 81 E CB 0.666 30.445 29.700 0.130 0.000 0.943 81 E HN 0.448 nan 8.360 nan 0.000 0.444 82 F N 2.846 122.845 119.950 0.082 0.000 2.394 82 F HA 0.435 4.964 4.527 0.003 0.000 0.340 82 F C -1.198 174.630 175.800 0.048 0.000 1.105 82 F CA -0.735 57.304 58.000 0.066 0.000 1.124 82 F CB 0.665 39.705 39.000 0.067 0.000 1.145 82 F HN 0.392 nan 8.300 nan 0.000 0.505 83 L N 5.793 126.500 121.223 -0.860 0.000 2.370 83 L HA 0.282 4.624 4.340 0.003 0.000 0.266 83 L C 1.260 177.594 176.870 -0.893 0.000 1.002 83 L CA -0.577 53.897 54.840 -0.610 0.000 0.818 83 L CB 1.695 43.559 42.059 -0.325 0.000 1.325 83 L HN 0.703 nan 8.230 nan 0.000 0.418 84 H N 1.799 120.582 119.070 -0.478 0.000 2.267 84 H HA -0.094 4.464 4.556 0.003 0.000 0.297 84 H C -0.103 175.096 175.328 -0.214 0.000 1.080 84 H CA 2.057 57.958 56.048 -0.245 0.000 1.278 84 H CB 0.639 30.362 29.762 -0.064 0.000 1.365 84 H HN 0.715 nan 8.280 nan 0.000 0.489 85 Q N 0.654 120.251 119.800 -0.339 0.000 2.737 85 Q HA 0.227 4.569 4.340 0.003 0.000 0.307 85 Q C -1.669 174.204 176.000 -0.212 0.000 0.905 85 Q CA -0.886 54.734 55.803 -0.305 0.000 0.753 85 Q CB 1.726 30.266 28.738 -0.331 0.000 1.463 85 Q HN 0.263 nan 8.270 nan 0.000 0.455 86 D N -0.018 120.288 120.400 -0.157 0.000 2.340 86 D HA 0.164 4.806 4.640 0.003 0.000 0.251 86 D C 0.500 176.763 176.300 -0.061 0.000 1.080 86 D CA -0.805 53.116 54.000 -0.131 0.000 0.971 86 D CB 1.013 41.739 40.800 -0.123 0.000 1.137 86 D HN 0.512 nan 8.370 nan 0.000 0.475 87 L N 0.328 121.510 121.223 -0.069 0.000 2.275 87 L HA -0.014 4.328 4.340 0.003 0.000 0.215 87 L C 1.957 178.879 176.870 0.086 0.000 1.119 87 L CA 1.582 56.436 54.840 0.024 0.000 0.790 87 L CB -0.703 41.327 42.059 -0.049 0.000 0.919 87 L HN 0.569 nan 8.230 nan 0.000 0.443 88 K N -0.314 120.101 120.400 0.024 0.000 2.025 88 K HA -0.191 4.131 4.320 0.003 0.000 0.207 88 K C 2.120 178.750 176.600 0.049 0.000 1.049 88 K CA 1.437 57.746 56.287 0.036 0.000 0.933 88 K CB 0.016 32.519 32.500 0.004 0.000 0.714 88 K HN 0.321 nan 8.250 nan 0.000 0.438 89 K N -0.225 120.199 120.400 0.040 0.000 2.057 89 K HA -0.162 4.160 4.320 0.003 0.000 0.207 89 K C 2.069 178.727 176.600 0.097 0.000 1.049 89 K CA 1.466 57.779 56.287 0.043 0.000 0.931 89 K CB -0.285 32.222 32.500 0.012 0.000 0.714 89 K HN 0.099 nan 8.250 nan 0.000 0.440 90 F N 1.601 121.550 119.950 -0.003 0.000 2.134 90 F HA -0.168 4.361 4.527 0.004 0.000 0.299 90 F C 2.112 177.945 175.800 0.055 0.000 1.097 90 F CA 1.473 59.498 58.000 0.041 0.000 1.264 90 F CB -0.172 38.873 39.000 0.076 0.000 1.001 90 F HN -0.066 nan 8.300 nan 0.000 0.479 91 M N -0.039 119.574 119.600 0.022 0.000 2.159 91 M HA -0.222 4.260 4.480 0.003 0.000 0.263 91 M C 1.722 177.969 176.300 -0.088 0.000 1.063 91 M CA 1.817 57.078 55.300 -0.064 0.000 1.110 91 M CB -0.470 32.161 32.600 0.051 0.000 1.374 91 M HN 0.030 nan 8.290 nan 0.000 0.411 92 D N 0.374 120.751 120.400 -0.038 0.000 2.117 92 D HA -0.101 4.541 4.640 0.003 0.000 0.197 92 D C 1.946 178.207 176.300 -0.064 0.000 0.987 92 D CA 1.658 55.638 54.000 -0.034 0.000 0.829 92 D CB -0.279 40.518 40.800 -0.005 0.000 0.961 92 D HN 0.354 nan 8.370 nan 0.000 0.460 93 A N 0.210 122.979 122.820 -0.084 0.000 2.015 93 A HA -0.072 4.250 4.320 0.003 0.000 0.219 93 A C 2.127 179.618 177.584 -0.155 0.000 1.163 93 A CA 1.225 53.208 52.037 -0.090 0.000 0.646 93 A CB -0.147 18.822 19.000 -0.050 0.000 0.806 93 A HN 0.128 nan 8.150 nan 0.000 0.448 94 S N -0.446 115.096 115.700 -0.263 0.000 2.605 94 S HA 0.371 4.843 4.470 0.003 0.000 0.217 94 S C 1.729 176.230 174.600 -0.165 0.000 0.958 94 S CA 0.337 58.371 58.200 -0.277 0.000 0.919 94 S CB 0.143 63.052 63.200 -0.484 0.000 0.780 94 S HN 0.715 nan 8.310 nan 0.000 0.507 95 A N 1.365 124.114 122.820 -0.117 0.000 2.019 95 A HA 0.024 4.346 4.320 0.003 0.000 0.219 95 A C 1.855 179.397 177.584 -0.071 0.000 1.164 95 A CA 1.091 53.080 52.037 -0.080 0.000 0.644 95 A CB -0.362 18.604 19.000 -0.056 0.000 0.805 95 A HN 0.503 nan 8.150 nan 0.000 0.449 96 L N -1.056 120.126 121.223 -0.069 0.000 2.200 96 L HA -0.055 4.287 4.340 0.003 0.000 0.200 96 L C 2.916 179.748 176.870 -0.062 0.000 1.072 96 L CA 1.496 56.302 54.840 -0.057 0.000 0.787 96 L CB -0.816 41.215 42.059 -0.046 0.000 0.957 96 L HN 0.505 nan 8.230 nan 0.000 0.459 97 T N -1.670 112.839 114.554 -0.074 0.000 2.770 97 T HA 0.192 4.544 4.350 0.003 0.000 0.263 97 T C 1.077 175.728 174.700 -0.081 0.000 1.039 97 T CA 0.519 62.572 62.100 -0.077 0.000 1.142 97 T CB -0.550 68.266 68.868 -0.088 0.000 0.868 97 T HN 0.447 nan 8.240 nan 0.000 0.435 98 G N 1.297 110.038 108.800 -0.098 0.000 2.895 98 G HA2 -0.052 3.910 3.960 0.003 0.000 0.686 98 G HA3 -0.052 3.910 3.960 0.003 0.000 0.686 98 G C -0.554 174.295 174.900 -0.085 0.000 1.108 98 G CA -0.765 44.283 45.100 -0.087 0.000 0.761 98 G HN 0.664 nan 8.290 nan 0.000 0.611 99 I N 3.834 124.365 120.570 -0.065 0.000 2.598 99 I HA 0.165 4.337 4.170 0.003 0.000 0.284 99 I C -1.291 174.831 176.117 0.008 0.000 1.140 99 I CA -1.295 60.001 61.300 -0.007 0.000 1.420 99 I CB 0.539 38.595 38.000 0.094 0.000 1.387 99 I HN 0.288 nan 8.210 nan 0.000 0.553 100 P HA -0.048 nan 4.420 nan 0.000 0.268 100 P C 0.550 177.856 177.300 0.009 0.000 1.204 100 P CA -0.336 62.754 63.100 -0.016 0.000 0.768 100 P CB 0.708 32.386 31.700 -0.038 0.000 0.842 101 L N 6.569 127.804 121.223 0.019 0.000 2.081 101 L HA -0.098 4.244 4.340 0.003 0.000 0.212 101 L C -0.990 175.893 176.870 0.023 0.000 1.080 101 L CA 2.426 57.299 54.840 0.055 0.000 0.754 101 L CB -2.165 39.934 42.059 0.066 0.000 0.893 101 L HN 0.330 nan 8.230 nan 0.000 0.433 102 P HA -0.165 nan 4.420 nan 0.000 0.218 102 P C 1.924 179.183 177.300 -0.069 0.000 1.148 102 P CA 1.168 64.236 63.100 -0.053 0.000 0.822 102 P CB -0.057 31.613 31.700 -0.050 0.000 0.784 103 L N -1.093 120.078 121.223 -0.086 0.000 2.095 103 L HA 0.018 4.360 4.340 0.003 0.000 0.204 103 L C 2.214 178.945 176.870 -0.233 0.000 1.080 103 L CA 1.381 56.083 54.840 -0.229 0.000 0.759 103 L CB -0.993 40.926 42.059 -0.233 0.000 0.914 103 L HN -0.183 nan 8.230 nan 0.000 0.439 104 I N -0.240 120.327 120.570 -0.006 0.000 2.208 104 I HA -0.334 3.838 4.170 0.003 0.000 0.245 104 I C 2.532 178.788 176.117 0.232 0.000 1.097 104 I CA 1.666 63.072 61.300 0.176 0.000 1.363 104 I CB -0.360 37.807 38.000 0.278 0.000 1.051 104 I HN 0.296 nan 8.210 nan 0.000 0.413 105 K N 0.209 120.710 120.400 0.168 0.000 2.103 105 K HA -0.162 4.160 4.320 0.003 0.000 0.204 105 K C 2.328 179.067 176.600 0.233 0.000 1.052 105 K CA 1.455 57.846 56.287 0.172 0.000 0.945 105 K CB -0.017 32.392 32.500 -0.152 0.000 0.722 105 K HN 0.130 nan 8.250 nan 0.000 0.443 106 S N -0.277 115.484 115.700 0.102 0.000 2.355 106 S HA -0.143 4.329 4.470 0.003 0.000 0.222 106 S C 1.853 176.624 174.600 0.284 0.000 1.031 106 S CA 0.920 59.197 58.200 0.128 0.000 0.993 106 S CB -0.365 62.830 63.200 -0.008 0.000 0.859 106 S HN 0.377 nan 8.310 nan 0.000 0.453 107 Y N 1.141 121.514 120.300 0.123 0.000 2.165 107 Y HA -0.051 4.500 4.550 0.003 0.000 0.286 107 Y C 2.319 178.270 175.900 0.085 0.000 1.155 107 Y CA 0.642 58.794 58.100 0.085 0.000 1.164 107 Y CB -1.255 37.256 38.460 0.085 0.000 0.978 107 Y HN 0.288 nan 8.280 nan 0.000 0.513 108 L N -1.020 120.389 121.223 0.310 0.000 2.093 108 L HA -0.189 4.153 4.340 0.003 0.000 0.208 108 L C 2.240 179.185 176.870 0.124 0.000 1.085 108 L CA 1.356 56.316 54.840 0.200 0.000 0.755 108 L CB -1.045 41.114 42.059 0.166 0.000 0.904 108 L HN 0.123 nan 8.230 nan 0.000 0.435 109 F N 0.100 120.012 119.950 -0.063 0.000 2.102 109 F HA -0.241 4.287 4.527 0.003 0.000 0.298 109 F C 2.445 178.106 175.800 -0.232 0.000 1.105 109 F CA 1.888 59.610 58.000 -0.463 0.000 1.239 109 F CB -0.277 38.493 39.000 -0.385 0.000 0.991 109 F HN 0.211 nan 8.300 nan 0.000 0.474 110 Q N 0.068 119.848 119.800 -0.033 0.000 2.079 110 Q HA -0.162 4.180 4.340 0.003 0.000 0.200 110 Q C 2.360 178.295 176.000 -0.109 0.000 0.974 110 Q CA 1.767 57.525 55.803 -0.076 0.000 0.840 110 Q CB -0.345 28.425 28.738 0.054 0.000 0.898 110 Q HN 0.457 nan 8.270 nan 0.000 0.430 111 L N 0.319 121.495 121.223 -0.078 0.000 2.046 111 L HA -0.206 4.136 4.340 0.003 0.000 0.208 111 L C 2.265 179.047 176.870 -0.147 0.000 1.077 111 L CA 0.971 55.750 54.840 -0.102 0.000 0.747 111 L CB -0.335 41.681 42.059 -0.072 0.000 0.896 111 L HN 0.248 nan 8.230 nan 0.000 0.432 112 L N -1.006 120.107 121.223 -0.183 0.000 2.141 112 L HA -0.194 4.149 4.340 0.003 0.000 0.209 112 L C 2.664 179.378 176.870 -0.260 0.000 1.094 112 L CA 1.008 55.722 54.840 -0.210 0.000 0.763 112 L CB -0.315 41.607 42.059 -0.229 0.000 0.908 112 L HN 0.329 nan 8.230 nan 0.000 0.437 113 Q N -0.506 119.096 119.800 -0.330 0.000 2.046 113 Q HA -0.133 4.209 4.340 0.003 0.000 0.200 113 Q C 2.313 178.124 176.000 -0.316 0.000 0.975 113 Q CA 1.451 57.079 55.803 -0.291 0.000 0.836 113 Q CB -0.386 28.189 28.738 -0.272 0.000 0.896 113 Q HN 0.586 nan 8.270 nan 0.000 0.428 114 G N 0.986 109.633 108.800 -0.255 0.000 2.440 114 G HA2 -0.264 3.698 3.960 0.003 0.000 0.218 114 G HA3 -0.264 3.698 3.960 0.003 0.000 0.218 114 G C 1.352 176.135 174.900 -0.196 0.000 1.154 114 G CA 0.679 45.601 45.100 -0.296 0.000 0.767 114 G HN 0.216 nan 8.290 nan 0.000 0.552 115 L N 1.143 122.251 121.223 -0.192 0.000 2.072 115 L HA 0.298 4.640 4.340 0.003 0.000 0.205 115 L C 3.092 179.764 176.870 -0.329 0.000 1.079 115 L CA 1.839 56.518 54.840 -0.268 0.000 0.752 115 L CB -0.667 41.216 42.059 -0.295 0.000 0.906 115 L HN 0.226 nan 8.230 nan 0.000 0.436 116 A N -1.173 121.529 122.820 -0.196 0.000 2.032 116 A HA -0.289 4.033 4.320 0.003 0.000 0.221 116 A C 2.232 179.830 177.584 0.023 0.000 1.165 116 A CA 2.015 54.016 52.037 -0.061 0.000 0.645 116 A CB -1.072 17.904 19.000 -0.040 0.000 0.807 116 A HN 0.535 nan 8.150 nan 0.000 0.453 117 F N -0.078 119.743 119.950 -0.214 0.000 2.187 117 F HA -0.137 4.391 4.527 0.002 0.000 0.295 117 F C 2.505 178.271 175.800 -0.057 0.000 1.091 117 F CA 1.422 59.305 58.000 -0.196 0.000 1.308 117 F CB -0.455 38.224 39.000 -0.535 0.000 1.030 117 F HN 0.307 nan 8.300 nan 0.000 0.487 118 C N 0.270 119.627 119.300 0.096 0.000 2.388 118 C HA -0.249 4.213 4.460 0.003 0.000 0.277 118 C C 2.686 177.872 174.990 0.326 0.000 1.210 118 C CA 1.418 60.550 59.018 0.190 0.000 1.743 118 C CB -1.673 26.256 27.740 0.313 0.000 2.047 118 C HN 0.503 nan 8.230 nan 0.000 0.458 119 H N 1.398 120.594 119.070 0.210 0.000 2.387 119 H HA -0.092 4.466 4.556 0.003 0.000 0.299 119 H C 2.485 177.953 175.328 0.232 0.000 1.099 119 H CA 2.053 58.280 56.048 0.299 0.000 1.315 119 H CB -0.708 29.177 29.762 0.204 0.000 1.380 119 H HN 0.649 nan 8.280 nan 0.000 0.513 120 S N -0.301 115.536 115.700 0.229 0.000 2.593 120 S HA -0.040 4.432 4.470 0.003 0.000 0.217 120 S C 0.623 175.149 174.600 -0.124 0.000 0.966 120 S CA 0.103 58.340 58.200 0.063 0.000 0.914 120 S CB -0.159 63.057 63.200 0.027 0.000 0.776 120 S HN 0.410 nan 8.310 nan 0.000 0.523 121 H N 1.922 120.872 119.070 -0.202 0.000 2.472 121 H HA 0.392 4.950 4.556 0.003 0.000 0.287 121 H C 0.443 175.653 175.328 -0.198 0.000 1.112 121 H CA -0.158 55.748 56.048 -0.238 0.000 1.021 121 H CB 0.025 29.587 29.762 -0.333 0.000 1.635 121 H HN 0.475 nan 8.280 nan 0.000 0.559 122 R N -1.695 118.685 120.500 -0.200 0.000 3.502 122 R HA -0.157 4.185 4.340 0.003 0.000 0.266 122 R C -1.506 174.565 176.300 -0.381 0.000 1.077 122 R CA 0.653 56.288 56.100 -0.776 0.000 0.718 122 R CB -3.276 26.515 30.300 -0.849 0.000 1.120 122 R HN 0.119 nan 8.270 nan 0.000 0.457 123 V N 1.115 121.169 119.914 0.233 0.000 2.417 123 V HA 0.468 4.590 4.120 0.003 0.000 0.291 123 V C 0.613 177.075 176.094 0.613 0.000 1.024 123 V CA -0.877 61.662 62.300 0.397 0.000 0.861 123 V CB 1.741 33.746 31.823 0.305 0.000 0.985 123 V HN 0.284 nan 8.190 nan 0.000 0.436 124 L N 4.156 125.674 121.223 0.492 0.000 2.289 124 L HA 0.443 4.785 4.340 0.003 0.000 0.285 124 L C 1.504 178.552 176.870 0.298 0.000 1.049 124 L CA -0.523 54.520 54.840 0.337 0.000 0.804 124 L CB 0.895 43.064 42.059 0.183 0.000 1.195 124 L HN 0.735 nan 8.230 nan 0.000 0.428 125 H N 4.702 123.891 119.070 0.199 0.000 2.276 125 H HA -0.039 4.519 4.556 0.003 0.000 0.301 125 H C 0.786 176.088 175.328 -0.042 0.000 1.073 125 H CA 1.770 57.803 56.048 -0.025 0.000 1.311 125 H CB 0.476 30.141 29.762 -0.162 0.000 1.379 125 H HN 0.613 nan 8.280 nan 0.000 0.494 126 R N -0.307 120.307 120.500 0.190 0.000 3.989 126 R HA -0.184 4.158 4.340 0.003 0.000 0.377 126 R C -0.639 175.714 176.300 0.088 0.000 1.158 126 R CA 1.042 57.204 56.100 0.103 0.000 1.035 126 R CB -1.652 28.683 30.300 0.058 0.000 1.557 126 R HN 0.340 nan 8.270 nan 0.000 0.551 127 D N 0.196 120.735 120.400 0.232 0.000 3.216 127 D HA 0.217 4.859 4.640 0.003 0.000 0.348 127 D C -0.798 175.576 176.300 0.123 0.000 1.407 127 D CA -0.210 53.874 54.000 0.139 0.000 0.744 127 D CB 0.366 41.183 40.800 0.028 0.000 1.264 127 D HN 0.101 nan 8.370 nan 0.000 0.543 128 L N 2.215 123.433 121.223 -0.008 0.000 2.342 128 L HA 0.331 4.673 4.340 0.003 0.000 0.285 128 L C 0.466 177.145 176.870 -0.319 0.000 1.095 128 L CA 0.172 54.855 54.840 -0.263 0.000 0.843 128 L CB 0.179 42.072 42.059 -0.276 0.000 1.201 128 L HN 0.066 nan 8.230 nan 0.000 0.445 129 K N 2.425 122.580 120.400 -0.407 0.000 2.512 129 K HA 0.545 4.867 4.320 0.003 0.000 0.263 129 K C -2.696 173.652 176.600 -0.420 0.000 0.966 129 K CA -1.864 54.004 56.287 -0.699 0.000 0.851 129 K CB 1.795 33.942 32.500 -0.588 0.000 1.395 129 K HN -0.144 nan 8.250 nan 0.000 0.440 130 P HA -0.258 nan 4.420 nan 0.000 0.216 130 P C 0.859 178.072 177.300 -0.146 0.000 1.150 130 P CA 1.398 64.394 63.100 -0.174 0.000 0.843 130 P CB 0.109 31.771 31.700 -0.062 0.000 0.787 131 Q N -1.423 118.291 119.800 -0.143 0.000 2.364 131 Q HA -0.074 4.268 4.340 0.003 0.000 0.207 131 Q C 0.780 176.695 176.000 -0.142 0.000 0.970 131 Q CA 1.172 56.902 55.803 -0.122 0.000 0.888 131 Q CB -1.028 27.647 28.738 -0.105 0.000 0.951 131 Q HN 0.313 nan 8.270 nan 0.000 0.469 132 N N 0.411 119.014 118.700 -0.161 0.000 2.270 132 N HA 0.236 4.978 4.740 0.003 0.000 0.198 132 N C -0.484 174.922 175.510 -0.175 0.000 1.117 132 N CA 0.174 53.133 53.050 -0.151 0.000 0.845 132 N CB 0.534 38.953 38.487 -0.112 0.000 0.980 132 N HN 0.221 nan 8.380 nan 0.000 0.486 133 L N 1.040 122.149 121.223 -0.189 0.000 2.356 133 L HA 0.528 4.870 4.340 0.003 0.000 0.277 133 L C -0.662 176.080 176.870 -0.213 0.000 0.996 133 L CA -0.574 54.143 54.840 -0.205 0.000 0.822 133 L CB 1.877 43.806 42.059 -0.217 0.000 1.256 133 L HN -0.270 nan 8.230 nan 0.000 0.413 134 L N 4.989 126.079 121.223 -0.222 0.000 2.362 134 L HA 0.690 5.032 4.340 0.003 0.000 0.271 134 L C -0.418 176.296 176.870 -0.260 0.000 1.002 134 L CA -0.766 53.934 54.840 -0.232 0.000 0.818 134 L CB 2.297 44.222 42.059 -0.225 0.000 1.298 134 L HN 0.555 nan 8.230 nan 0.000 0.420 135 I N -0.325 120.090 120.570 -0.259 0.000 2.646 135 I HA 0.636 4.808 4.170 0.003 0.000 0.299 135 I C -0.945 175.089 176.117 -0.138 0.000 1.036 135 I CA -0.642 60.502 61.300 -0.260 0.000 1.074 135 I CB 2.095 39.871 38.000 -0.374 0.000 1.258 135 I HN 0.634 nan 8.210 nan 0.000 0.430 136 N N 1.561 120.209 118.700 -0.087 0.000 2.518 136 N HA 0.318 5.060 4.740 0.003 0.000 0.284 136 N C 0.734 176.233 175.510 -0.017 0.000 1.230 136 N CA -0.207 52.827 53.050 -0.026 0.000 0.941 136 N CB 0.620 39.089 38.487 -0.031 0.000 1.219 136 N HN 0.746 nan 8.380 nan 0.000 0.560 137 T N -3.665 110.858 114.554 -0.052 0.000 3.098 137 T HA -0.020 4.332 4.350 0.003 0.000 0.266 137 T C 0.575 175.243 174.700 -0.052 0.000 1.145 137 T CA 0.878 62.922 62.100 -0.093 0.000 1.092 137 T CB -0.284 68.487 68.868 -0.162 0.000 0.908 137 T HN 0.537 nan 8.240 nan 0.000 0.526 138 E N 0.654 120.837 120.200 -0.029 0.000 2.472 138 E HA 0.254 4.606 4.350 0.003 0.000 0.196 138 E C 1.499 178.101 176.600 0.003 0.000 1.033 138 E CA 0.513 56.903 56.400 -0.018 0.000 0.886 138 E CB 0.487 30.178 29.700 -0.015 0.000 0.944 138 E HN 0.710 nan 8.360 nan 0.000 0.492 139 G N 1.255 110.072 108.800 0.029 0.000 2.154 139 G HA2 -0.194 3.768 3.960 0.003 0.000 0.186 139 G HA3 -0.194 3.768 3.960 0.003 0.000 0.186 139 G C 0.270 175.275 174.900 0.175 0.000 1.000 139 G CA 0.028 45.181 45.100 0.087 0.000 0.664 139 G HN 0.413 nan 8.290 nan 0.000 0.513 140 A N -0.152 122.721 122.820 0.090 0.000 2.306 140 A HA 0.870 5.192 4.320 0.003 0.000 0.314 140 A C -0.112 177.439 177.584 -0.055 0.000 1.164 140 A CA -0.373 51.690 52.037 0.043 0.000 0.822 140 A CB 1.155 20.148 19.000 -0.012 0.000 1.130 140 A HN 1.190 nan 8.150 nan 0.000 0.496 141 I N 0.931 121.436 120.570 -0.107 0.000 2.608 141 I HA 0.528 4.700 4.170 0.003 0.000 0.295 141 I C -0.868 175.154 176.117 -0.158 0.000 1.049 141 I CA -0.645 60.491 61.300 -0.273 0.000 1.063 141 I CB 1.808 39.458 38.000 -0.583 0.000 1.248 141 I HN 0.697 nan 8.210 nan 0.000 0.424 142 K N 7.347 127.648 120.400 -0.164 0.000 2.422 142 K HA 0.525 4.847 4.320 0.003 0.000 0.251 142 K C -1.335 175.210 176.600 -0.092 0.000 0.933 142 K CA -0.787 55.444 56.287 -0.093 0.000 0.798 142 K CB 2.456 34.914 32.500 -0.070 0.000 1.238 142 K HN 0.501 nan 8.250 nan 0.000 0.428 143 L N 2.267 123.473 121.223 -0.028 0.000 2.453 143 L HA 0.380 4.722 4.340 0.003 0.000 0.272 143 L C 0.309 177.248 176.870 0.114 0.000 1.182 143 L CA -0.048 54.789 54.840 -0.005 0.000 0.858 143 L CB 0.459 42.561 42.059 0.072 0.000 1.120 143 L HN 0.764 nan 8.230 nan 0.000 0.474 144 A N 1.996 124.837 122.820 0.036 0.000 2.524 144 A HA 0.534 4.856 4.320 0.003 0.000 0.286 144 A C -0.468 177.148 177.584 0.052 0.000 1.203 144 A CA -0.416 51.651 52.037 0.050 0.000 0.736 144 A CB 1.259 20.173 19.000 -0.144 0.000 1.322 144 A HN 0.763 nan 8.150 nan 0.000 0.424 145 D N -1.330 119.070 120.400 0.000 0.000 3.357 145 D HA -0.139 4.503 4.640 0.003 0.000 0.238 145 D C -0.735 175.460 176.300 -0.174 0.000 1.126 145 D CA 0.574 54.554 54.000 -0.032 0.000 0.984 145 D CB -0.942 39.819 40.800 -0.066 0.000 0.925 145 D HN 0.428 nan 8.370 nan 0.000 0.414 146 F N 0.069 119.988 119.950 -0.052 0.000 2.676 146 F HA 0.274 4.804 4.527 0.004 0.000 0.300 146 F C 2.267 178.043 175.800 -0.040 0.000 1.160 146 F CA 0.360 58.290 58.000 -0.117 0.000 1.401 146 F CB 0.308 39.302 39.000 -0.010 0.000 1.037 146 F HN 0.330 nan 8.300 nan 0.000 0.522 147 G N -0.122 108.753 108.800 0.124 0.000 2.442 147 G HA2 -0.202 3.760 3.960 0.003 0.000 0.219 147 G HA3 -0.202 3.760 3.960 0.003 0.000 0.219 147 G C 1.406 176.294 174.900 -0.020 0.000 1.141 147 G CA 0.656 45.850 45.100 0.157 0.000 0.763 147 G HN 0.210 nan 8.290 nan 0.000 0.554 148 L N 0.793 121.970 121.223 -0.077 0.000 2.667 148 L HA 0.522 4.864 4.340 0.003 0.000 0.232 148 L C 1.641 178.461 176.870 -0.084 0.000 1.138 148 L CA -0.933 53.856 54.840 -0.085 0.000 0.921 148 L CB -0.549 41.462 42.059 -0.081 0.000 1.180 148 L HN 0.244 nan 8.230 nan 0.000 0.487 149 A N 0.673 123.437 122.820 -0.092 0.000 2.327 149 A HA 0.602 4.924 4.320 0.003 0.000 0.255 149 A C 0.421 178.027 177.584 0.038 0.000 1.099 149 A CA -0.205 51.823 52.037 -0.014 0.000 0.801 149 A CB 0.416 19.489 19.000 0.122 0.000 1.062 149 A HN 0.364 nan 8.150 nan 0.000 0.496 150 R N -0.484 120.057 120.500 0.068 0.000 2.561 150 R HA 0.544 4.886 4.340 0.003 0.000 0.266 150 R C -0.960 175.366 176.300 0.042 0.000 1.091 150 R CA -0.080 56.020 56.100 -0.000 0.000 0.927 150 R CB 1.095 31.325 30.300 -0.117 0.000 1.240 150 R HN 1.188 nan 8.270 nan 0.000 0.449 151 A N 4.658 127.474 122.820 -0.008 0.000 2.451 151 A HA 0.413 4.735 4.320 0.003 0.000 0.266 151 A C -0.299 177.242 177.584 -0.071 0.000 1.119 151 A CA -0.346 51.671 52.037 -0.034 0.000 0.786 151 A CB -0.441 18.524 19.000 -0.059 0.000 1.061 151 A HN 0.561 nan 8.150 nan 0.000 0.503 152 F N 1.822 121.713 119.950 -0.099 0.000 2.457 152 F HA 0.855 5.384 4.527 0.004 0.000 0.330 152 F C 0.524 176.349 175.800 0.043 0.000 1.069 152 F CA -0.826 57.130 58.000 -0.074 0.000 1.009 152 F CB 0.837 39.835 39.000 -0.003 0.000 1.276 152 F HN 0.596 nan 8.300 nan 0.000 0.492 153 G N -0.100 108.892 108.800 0.321 0.000 2.489 153 G HA2 0.580 4.542 3.960 0.003 0.000 0.327 153 G HA3 0.580 4.542 3.960 0.003 0.000 0.327 153 G C -1.935 173.081 174.900 0.193 0.000 1.189 153 G CA -1.043 44.143 45.100 0.143 0.000 0.962 153 G HN 0.677 nan 8.290 nan 0.000 0.486 154 V N 3.000 122.956 119.914 0.070 0.000 2.334 154 V HA 0.372 4.494 4.120 0.003 0.000 0.281 154 V C -1.285 174.821 176.094 0.020 0.000 1.016 154 V CA -1.044 61.297 62.300 0.069 0.000 0.832 154 V CB 0.839 32.682 31.823 0.033 0.000 0.999 154 V HN 0.803 nan 8.190 nan 0.000 0.439 155 P HA 0.387 nan 4.420 nan 0.000 0.274 155 P C -0.279 177.007 177.300 -0.024 0.000 1.256 155 P CA -0.262 62.821 63.100 -0.029 0.000 0.795 155 P CB 1.031 32.662 31.700 -0.116 0.000 1.038 156 V N -1.317 118.558 119.914 -0.064 0.000 2.924 156 V HA 0.362 4.484 4.120 0.003 0.000 0.305 156 V C 0.675 176.612 176.094 -0.262 0.000 1.073 156 V CA -0.552 61.710 62.300 -0.062 0.000 1.098 156 V CB 0.102 31.885 31.823 -0.065 0.000 1.000 156 V HN 0.491 nan 8.190 nan 0.000 0.484 157 R N 1.157 121.449 120.500 -0.347 0.000 2.606 157 R HA 0.493 4.835 4.340 0.003 0.000 0.249 157 R C 0.069 176.026 176.300 -0.571 0.000 1.127 157 R CA -0.575 55.361 56.100 -0.274 0.000 1.133 157 R CB 0.948 31.139 30.300 -0.182 0.000 1.243 157 R HN 0.897 nan 8.270 nan 0.000 0.558 158 T N 1.796 116.180 114.554 -0.283 0.000 2.867 158 T HA 0.117 4.469 4.350 0.003 0.000 0.297 158 T C -0.766 173.683 174.700 -0.418 0.000 0.989 158 T CA 0.645 62.530 62.100 -0.358 0.000 1.159 158 T CB -0.014 68.732 68.868 -0.202 0.000 0.928 158 T HN 0.193 nan 8.240 nan 0.000 0.538 162 E N 2.294 122.474 120.200 -0.033 0.000 1.999 162 E HA 0.332 4.684 4.350 0.003 0.000 0.296 162 E C -0.891 175.647 176.600 -0.104 0.000 1.187 162 E CA 0.050 56.387 56.400 -0.105 0.000 1.229 162 E CB 1.024 30.718 29.700 -0.010 0.000 1.131 162 E HN 0.071 nan 8.360 nan 0.000 0.478 163 V N 1.821 121.618 119.914 -0.194 0.000 2.760 163 V HA 0.366 4.488 4.120 0.003 0.000 0.309 163 V C -0.918 175.091 176.094 -0.141 0.000 1.077 163 V CA -0.964 61.249 62.300 -0.146 0.000 0.910 163 V CB 2.056 33.791 31.823 -0.148 0.000 1.008 163 V HN 0.325 nan 8.190 nan 0.000 0.424 164 V N 3.106 122.983 119.914 -0.062 0.000 3.478 164 V HA -0.166 3.956 4.120 0.003 0.000 0.498 164 V C 0.245 176.358 176.094 0.032 0.000 0.682 164 V CA 0.367 62.670 62.300 0.007 0.000 2.047 164 V CB -1.338 30.506 31.823 0.035 0.000 2.481 164 V HN 1.041 nan 8.190 nan 0.000 0.507 165 T N 5.931 120.533 114.554 0.080 0.000 2.905 165 T HA 0.108 4.460 4.350 0.003 0.000 0.299 165 T C 1.403 176.190 174.700 0.145 0.000 1.024 165 T CA 0.543 62.697 62.100 0.090 0.000 1.151 165 T CB 0.590 69.539 68.868 0.136 0.000 0.987 165 T HN 0.709 nan 8.240 nan 0.000 0.535 166 L N 2.704 123.962 121.223 0.058 0.000 2.021 166 L HA -0.179 4.163 4.340 0.003 0.000 0.215 166 L C 1.981 178.981 176.870 0.216 0.000 1.074 166 L CA 2.020 56.922 54.840 0.103 0.000 0.760 166 L CB -0.297 41.818 42.059 0.093 0.000 0.889 166 L HN 0.801 nan 8.230 nan 0.000 0.433 167 W N -0.707 120.523 121.300 -0.116 0.000 2.421 167 W HA -0.183 4.479 4.660 0.003 0.000 0.270 167 W C 1.935 178.129 176.519 -0.542 0.000 1.233 167 W CA 0.608 57.718 57.345 -0.392 0.000 1.226 167 W CB -0.906 28.147 29.460 -0.678 0.000 1.121 167 W HN 0.301 nan 8.180 nan 0.000 0.579 168 Y N -1.190 119.332 120.300 0.369 0.000 2.531 168 Y HA 0.270 4.823 4.550 0.004 0.000 0.249 168 Y C 1.184 177.295 175.900 0.351 0.000 1.168 168 Y CA -0.801 57.503 58.100 0.340 0.000 1.226 168 Y CB -0.409 38.183 38.460 0.219 0.000 1.177 168 Y HN -0.342 nan 8.280 nan 0.000 0.527 169 R N 2.094 122.774 120.500 0.300 0.000 2.316 169 R HA 0.500 4.842 4.340 0.003 0.000 0.314 169 R C 0.167 176.407 176.300 -0.102 0.000 1.069 169 R CA -0.165 55.995 56.100 0.100 0.000 0.959 169 R CB 0.343 30.650 30.300 0.012 0.000 0.987 169 R HN 0.229 nan 8.270 nan 0.000 0.446 170 A N 6.549 129.168 122.820 -0.336 0.000 2.445 170 A HA 0.196 4.518 4.320 0.003 0.000 0.242 170 A C -1.521 175.692 177.584 -0.618 0.000 1.075 170 A CA -1.255 50.206 52.037 -0.960 0.000 0.777 170 A CB 0.178 18.854 19.000 -0.540 0.000 1.013 170 A HN 0.736 nan 8.150 nan 0.000 0.493 171 P HA -0.195 nan 4.420 nan 0.000 0.220 171 P C 0.997 178.386 177.300 0.149 0.000 1.148 171 P CA 1.489 64.494 63.100 -0.159 0.000 0.803 171 P CB 0.079 31.814 31.700 0.059 0.000 0.782 172 E N 0.634 120.938 120.200 0.173 0.000 2.150 172 E HA -0.125 4.227 4.350 0.003 0.000 0.193 172 E C 2.094 178.823 176.600 0.216 0.000 0.985 172 E CA 0.915 57.534 56.400 0.365 0.000 0.814 172 E CB -1.174 28.756 29.700 0.385 0.000 0.752 172 E HN 0.306 nan 8.360 nan 0.000 0.466 173 I N 1.072 121.691 120.570 0.082 0.000 2.233 173 I HA -0.226 3.946 4.170 0.003 0.000 0.243 173 I C 2.706 178.927 176.117 0.173 0.000 1.093 173 I CA 0.813 62.156 61.300 0.072 0.000 1.380 173 I CB -0.304 37.594 38.000 -0.171 0.000 1.067 173 I HN -0.007 nan 8.210 nan 0.000 0.413 174 L N 0.277 121.540 121.223 0.067 0.000 2.079 174 L HA -0.203 4.139 4.340 0.003 0.000 0.210 174 L C 2.260 179.219 176.870 0.148 0.000 1.081 174 L CA 1.377 56.263 54.840 0.076 0.000 0.752 174 L CB -0.397 41.647 42.059 -0.025 0.000 0.896 174 L HN 0.282 nan 8.230 nan 0.000 0.433 175 L N -0.731 120.599 121.223 0.179 0.000 2.591 175 L HA 0.164 4.506 4.340 0.003 0.000 0.228 175 L C 1.226 178.168 176.870 0.121 0.000 1.133 175 L CA 0.470 55.423 54.840 0.189 0.000 0.880 175 L CB -0.260 41.924 42.059 0.208 0.000 1.033 175 L HN 0.467 nan 8.230 nan 0.000 0.450 176 G N -0.209 108.668 108.800 0.129 0.000 2.165 176 G HA2 -0.272 3.690 3.960 0.003 0.000 0.226 176 G HA3 -0.272 3.690 3.960 0.003 0.000 0.226 176 G C 0.251 175.145 174.900 -0.010 0.000 1.035 176 G CA -0.058 45.037 45.100 -0.008 0.000 0.744 176 G HN 0.296 nan 8.290 nan 0.000 0.501 177 C N -0.040 119.312 119.300 0.087 0.000 2.702 177 C HA 0.334 4.796 4.460 0.003 0.000 0.411 177 C C 2.391 177.376 174.990 -0.008 0.000 1.286 177 C CA 0.929 59.983 59.018 0.061 0.000 1.979 177 C CB 0.495 28.331 27.740 0.161 0.000 2.728 177 C HN 0.651 nan 8.230 nan 0.000 0.652 178 K N 1.556 121.856 120.400 -0.166 0.000 2.057 178 K HA -0.081 4.241 4.320 0.003 0.000 0.207 178 K C -0.437 175.848 176.600 -0.525 0.000 1.049 178 K CA 1.640 57.655 56.287 -0.453 0.000 0.931 178 K CB -0.012 32.037 32.500 -0.752 0.000 0.714 178 K HN 0.727 nan 8.250 nan 0.000 0.440 179 Y N -0.492 119.813 120.300 0.008 0.000 2.409 179 Y HA 0.288 4.840 4.550 0.004 0.000 0.343 179 Y C -0.658 175.290 175.900 0.081 0.000 0.973 179 Y CA -1.451 56.611 58.100 -0.063 0.000 1.064 179 Y CB 1.514 39.936 38.460 -0.064 0.000 1.207 179 Y HN 0.002 nan 8.280 nan 0.000 0.452 180 Y N -1.005 119.414 120.300 0.199 0.000 2.562 180 Y HA 0.846 5.398 4.550 0.003 0.000 0.345 180 Y C -0.631 175.323 175.900 0.091 0.000 1.045 180 Y CA -1.120 57.064 58.100 0.140 0.000 1.028 180 Y CB 1.731 40.270 38.460 0.132 0.000 1.297 180 Y HN 0.525 nan 8.280 nan 0.000 0.463 181 S N -0.338 115.475 115.700 0.188 0.000 3.923 181 S HA 0.297 4.769 4.470 0.003 0.000 0.280 181 S C 1.094 175.623 174.600 -0.119 0.000 1.070 181 S CA 0.065 58.219 58.200 -0.075 0.000 1.300 181 S CB 0.391 63.460 63.200 -0.218 0.000 1.322 181 S HN 1.024 nan 8.310 nan 0.000 0.762 182 T N 0.882 115.199 114.554 -0.395 0.000 2.833 182 T HA 0.008 4.360 4.350 0.003 0.000 0.269 182 T C 1.760 176.406 174.700 -0.090 0.000 1.054 182 T CA 1.497 63.280 62.100 -0.528 0.000 1.135 182 T CB -0.937 67.457 68.868 -0.789 0.000 0.869 182 T HN 0.653 nan 8.240 nan 0.000 0.466 183 A N 1.749 124.569 122.820 0.000 0.000 2.131 183 A HA 0.051 4.373 4.320 0.003 0.000 0.220 183 A C 2.652 180.340 177.584 0.173 0.000 1.158 183 A CA 1.625 53.728 52.037 0.111 0.000 0.665 183 A CB -1.090 17.962 19.000 0.088 0.000 0.795 183 A HN 0.842 nan 8.150 nan 0.000 0.460 184 V N -2.552 117.446 119.914 0.140 0.000 2.667 184 V HA -0.139 3.983 4.120 0.003 0.000 0.252 184 V C 1.617 177.840 176.094 0.216 0.000 1.065 184 V CA 2.270 64.655 62.300 0.141 0.000 1.083 184 V CB -0.608 31.221 31.823 0.009 0.000 0.692 184 V HN 0.365 nan 8.190 nan 0.000 0.468 185 D N 0.587 121.122 120.400 0.225 0.000 2.149 185 D HA -0.014 4.628 4.640 0.003 0.000 0.201 185 D C 2.222 178.653 176.300 0.218 0.000 0.972 185 D CA 1.277 55.419 54.000 0.237 0.000 0.835 185 D CB -0.016 40.986 40.800 0.337 0.000 0.966 185 D HN 0.407 nan 8.370 nan 0.000 0.476 186 I N 0.526 121.246 120.570 0.250 0.000 2.179 186 I HA -0.235 3.937 4.170 0.003 0.000 0.242 186 I C 2.439 178.690 176.117 0.224 0.000 1.088 186 I CA 0.803 62.226 61.300 0.206 0.000 1.357 186 I CB -1.174 36.947 38.000 0.201 0.000 1.051 186 I HN 0.278 nan 8.210 nan 0.000 0.409 187 W N 2.177 123.540 121.300 0.105 0.000 2.302 187 W HA -0.306 4.356 4.660 0.003 0.000 0.320 187 W C 2.666 179.276 176.519 0.152 0.000 1.241 187 W CA 2.326 59.741 57.345 0.117 0.000 1.264 187 W CB -0.414 29.107 29.460 0.101 0.000 1.154 187 W HN 0.130 nan 8.180 nan 0.000 0.483 188 S N 1.030 116.967 115.700 0.394 0.000 2.370 188 S HA -0.207 4.265 4.470 0.003 0.000 0.226 188 S C 1.948 176.648 174.600 0.166 0.000 1.033 188 S CA 1.525 59.914 58.200 0.316 0.000 1.011 188 S CB -0.783 62.557 63.200 0.233 0.000 0.852 188 S HN 0.245 nan 8.310 nan 0.000 0.457 189 L N 0.885 122.166 121.223 0.098 0.000 2.083 189 L HA -0.090 4.252 4.340 0.003 0.000 0.209 189 L C 2.733 179.650 176.870 0.079 0.000 1.083 189 L CA 1.420 56.296 54.840 0.059 0.000 0.752 189 L CB -1.437 40.642 42.059 0.032 0.000 0.899 189 L HN 0.450 nan 8.230 nan 0.000 0.433 190 G N -0.675 108.141 108.800 0.027 0.000 2.440 190 G HA2 -0.271 3.691 3.960 0.003 0.000 0.218 190 G HA3 -0.271 3.691 3.960 0.003 0.000 0.218 190 G C 1.674 176.523 174.900 -0.086 0.000 1.154 190 G CA 0.991 46.075 45.100 -0.026 0.000 0.767 190 G HN 0.396 nan 8.290 nan 0.000 0.552 191 C N 0.228 119.455 119.300 -0.121 0.000 2.429 191 C HA 0.031 4.493 4.460 0.003 0.000 0.277 191 C C 2.866 177.891 174.990 0.059 0.000 1.262 191 C CA 0.599 59.570 59.018 -0.078 0.000 1.733 191 C CB -0.970 26.841 27.740 0.120 0.000 2.010 191 C HN 0.483 nan 8.230 nan 0.000 0.483 192 I N -0.076 120.585 120.570 0.152 0.000 2.315 192 I HA -0.176 3.996 4.170 0.003 0.000 0.248 192 I C 2.395 178.614 176.117 0.170 0.000 1.117 192 I CA 1.254 62.643 61.300 0.148 0.000 1.404 192 I CB -0.544 37.499 38.000 0.073 0.000 1.071 192 I HN 0.234 nan 8.210 nan 0.000 0.419 193 F N 2.266 122.202 119.950 -0.023 0.000 2.043 193 F HA -0.312 4.217 4.527 0.004 0.000 0.297 193 F C 2.511 178.258 175.800 -0.089 0.000 1.121 193 F CA 1.463 59.443 58.000 -0.034 0.000 1.199 193 F CB -1.046 37.910 39.000 -0.073 0.000 0.968 193 F HN 0.061 nan 8.300 nan 0.000 0.478 194 A N -0.015 122.626 122.820 -0.299 0.000 1.873 194 A HA -0.317 4.005 4.320 0.003 0.000 0.218 194 A C 2.284 179.709 177.584 -0.264 0.000 1.193 194 A CA 2.109 53.882 52.037 -0.441 0.000 0.629 194 A CB -1.315 17.384 19.000 -0.502 0.000 0.826 194 A HN 0.607 nan 8.150 nan 0.000 0.447 195 E N -0.768 119.347 120.200 -0.142 0.000 2.070 195 E HA -0.236 4.116 4.350 0.003 0.000 0.197 195 E C 2.099 178.686 176.600 -0.022 0.000 1.004 195 E CA 1.660 58.021 56.400 -0.066 0.000 0.805 195 E CB -0.227 29.501 29.700 0.046 0.000 0.744 195 E HN 0.666 nan 8.360 nan 0.000 0.451 196 M N -0.066 119.562 119.600 0.047 0.000 2.108 196 M HA -0.185 4.297 4.480 0.003 0.000 0.261 196 M C 2.323 178.641 176.300 0.030 0.000 1.066 196 M CA 1.163 56.520 55.300 0.096 0.000 1.107 196 M CB -0.095 32.639 32.600 0.223 0.000 1.356 196 M HN 0.114 nan 8.290 nan 0.000 0.406 197 V N -0.033 119.852 119.914 -0.048 0.000 2.407 197 V HA -0.215 3.907 4.120 0.003 0.000 0.248 197 V C 2.380 178.400 176.094 -0.124 0.000 1.055 197 V CA 2.262 64.495 62.300 -0.112 0.000 1.049 197 V CB -0.936 30.721 31.823 -0.277 0.000 0.662 197 V HN 0.673 nan 8.190 nan 0.000 0.455 198 T N -3.115 111.351 114.554 -0.147 0.000 2.985 198 T HA 0.187 4.539 4.350 0.003 0.000 0.254 198 T C 1.334 175.965 174.700 -0.116 0.000 1.021 198 T CA 0.617 62.627 62.100 -0.149 0.000 0.957 198 T CB 0.398 69.144 68.868 -0.203 0.000 1.047 198 T HN 0.466 nan 8.240 nan 0.000 0.511 199 R N 0.903 121.350 120.500 -0.089 0.000 2.998 199 R HA -0.188 4.154 4.340 0.003 0.000 0.389 199 R C -0.255 176.008 176.300 -0.061 0.000 0.394 199 R CA 1.398 57.458 56.100 -0.068 0.000 1.436 199 R CB -1.884 28.372 30.300 -0.073 0.000 1.864 199 R HN 0.666 nan 8.270 nan 0.000 0.282 200 R N 0.839 121.281 120.500 -0.096 0.000 2.854 200 R HA 0.843 5.185 4.340 0.003 0.000 0.271 200 R C -0.507 175.703 176.300 -0.150 0.000 0.996 200 R CA -0.614 55.419 56.100 -0.111 0.000 0.961 200 R CB 1.560 31.772 30.300 -0.147 0.000 1.182 200 R HN 0.241 nan 8.270 nan 0.000 0.479 201 A N 1.980 124.698 122.820 -0.171 0.000 2.540 201 A HA 0.031 4.353 4.320 0.003 0.000 0.239 201 A C 0.847 178.182 177.584 -0.415 0.000 1.061 201 A CA -0.459 51.419 52.037 -0.266 0.000 0.758 201 A CB 0.137 18.837 19.000 -0.499 0.000 0.991 201 A HN 0.794 nan 8.150 nan 0.000 0.502 202 L N 2.040 122.971 121.223 -0.487 0.000 2.027 202 L HA 0.145 4.487 4.340 0.003 0.000 0.206 202 L C 0.164 176.524 176.870 -0.850 0.000 1.074 202 L CA 1.880 56.260 54.840 -0.767 0.000 0.745 202 L CB -0.317 41.133 42.059 -1.014 0.000 0.898 202 L HN 0.596 nan 8.230 nan 0.000 0.433 203 F N 1.004 120.731 119.950 -0.372 0.000 2.660 203 F HA 0.407 4.936 4.527 0.003 0.000 0.352 203 F C -2.144 173.276 175.800 -0.633 0.000 1.257 203 F CA -2.704 55.075 58.000 -0.369 0.000 1.200 203 F CB 0.297 39.186 39.000 -0.185 0.000 1.473 203 F HN 0.013 nan 8.300 nan 0.000 0.561 204 P HA 0.168 nan 4.420 nan 0.000 0.220 204 P C 0.681 177.559 177.300 -0.704 0.000 1.806 204 P CA 0.183 62.337 63.100 -1.576 0.000 0.976 204 P CB 0.352 31.122 31.700 -1.549 0.000 1.952 205 G N 1.970 110.590 108.800 -0.300 0.000 2.614 205 G HA2 0.079 4.041 3.960 0.003 0.000 0.239 205 G HA3 0.079 4.041 3.960 0.003 0.000 0.239 205 G C 0.420 175.430 174.900 0.182 0.000 1.240 205 G CA -0.316 44.772 45.100 -0.022 0.000 0.842 205 G HN 0.333 nan 8.290 nan 0.000 0.584 206 D N -2.452 118.006 120.400 0.098 0.000 2.433 206 D HA 0.203 4.845 4.640 0.003 0.000 0.211 206 D C 0.855 177.188 176.300 0.054 0.000 1.114 206 D CA 0.426 54.496 54.000 0.117 0.000 0.837 206 D CB 0.526 41.377 40.800 0.085 0.000 0.984 206 D HN 0.529 nan 8.370 nan 0.000 0.505 207 S N -1.460 114.249 115.700 0.014 0.000 2.643 207 S HA 0.296 4.768 4.470 0.003 0.000 0.270 207 S C 0.300 174.868 174.600 -0.054 0.000 1.166 207 S CA -0.886 57.301 58.200 -0.020 0.000 0.815 207 S CB 1.253 64.428 63.200 -0.042 0.000 1.139 207 S HN -0.110 nan 8.310 nan 0.000 0.472 208 E N -0.251 119.910 120.200 -0.064 0.000 2.150 208 E HA -0.073 4.279 4.350 0.003 0.000 0.193 208 E C 1.556 178.049 176.600 -0.179 0.000 0.985 208 E CA 1.296 57.646 56.400 -0.084 0.000 0.814 208 E CB -0.234 29.441 29.700 -0.040 0.000 0.752 208 E HN 0.554 nan 8.360 nan 0.000 0.466 209 I N 1.150 121.577 120.570 -0.239 0.000 2.480 209 I HA -0.159 4.013 4.170 0.003 0.000 0.251 209 I C 1.784 177.543 176.117 -0.597 0.000 1.124 209 I CA 1.277 62.295 61.300 -0.471 0.000 1.444 209 I CB 0.044 37.773 38.000 -0.453 0.000 1.098 209 I HN -0.076 nan 8.210 nan 0.000 0.428 210 D N -0.324 119.874 120.400 -0.337 0.000 2.117 210 D HA -0.279 4.363 4.640 0.003 0.000 0.197 210 D C 2.146 178.334 176.300 -0.188 0.000 0.987 210 D CA 1.308 55.175 54.000 -0.222 0.000 0.829 210 D CB -0.051 40.684 40.800 -0.108 0.000 0.961 210 D HN 0.337 nan 8.370 nan 0.000 0.460 211 Q N 0.031 119.728 119.800 -0.171 0.000 2.030 211 Q HA -0.096 4.246 4.340 0.003 0.000 0.204 211 Q C 2.262 178.093 176.000 -0.280 0.000 0.986 211 Q CA 1.374 57.082 55.803 -0.159 0.000 0.843 211 Q CB -0.521 28.165 28.738 -0.087 0.000 0.904 211 Q HN 0.416 nan 8.270 nan 0.000 0.420 212 L N -0.727 120.272 121.223 -0.373 0.000 2.042 212 L HA -0.197 4.145 4.340 0.003 0.000 0.210 212 L C 2.081 178.538 176.870 -0.687 0.000 1.076 212 L CA 1.058 55.527 54.840 -0.619 0.000 0.749 212 L CB -0.409 41.210 42.059 -0.733 0.000 0.893 212 L HN 0.291 nan 8.230 nan 0.000 0.432 213 F N 0.018 119.596 119.950 -0.621 0.000 2.206 213 F HA -0.112 4.417 4.527 0.003 0.000 0.298 213 F C 2.662 178.209 175.800 -0.422 0.000 1.090 213 F CA 0.903 58.656 58.000 -0.412 0.000 1.323 213 F CB -0.881 38.032 39.000 -0.145 0.000 1.028 213 F HN -0.021 nan 8.300 nan 0.000 0.492 214 R N 0.158 120.565 120.500 -0.154 0.000 2.105 214 R HA -0.149 4.193 4.340 0.003 0.000 0.239 214 R C 2.232 178.421 176.300 -0.185 0.000 1.135 214 R CA 1.476 57.492 56.100 -0.141 0.000 0.967 214 R CB -0.429 29.836 30.300 -0.057 0.000 0.861 214 R HN 0.266 nan 8.270 nan 0.000 0.442 215 I N -0.316 119.982 120.570 -0.453 0.000 2.233 215 I HA -0.235 3.937 4.170 0.003 0.000 0.243 215 I C 1.679 177.857 176.117 0.102 0.000 1.093 215 I CA 0.990 61.934 61.300 -0.594 0.000 1.380 215 I CB -0.316 37.350 38.000 -0.556 0.000 1.067 215 I HN 0.039 nan 8.210 nan 0.000 0.413 216 F N 1.553 121.533 119.950 0.050 0.000 2.161 216 F HA -0.143 4.386 4.527 0.003 0.000 0.300 216 F C 2.662 178.501 175.800 0.067 0.000 1.089 216 F CA 1.161 59.273 58.000 0.187 0.000 1.282 216 F CB -1.241 37.931 39.000 0.287 0.000 1.010 216 F HN 0.017 nan 8.300 nan 0.000 0.485 217 R N -0.745 119.679 120.500 -0.126 0.000 2.148 217 R HA -0.091 4.251 4.340 0.003 0.000 0.227 217 R C 2.006 178.271 176.300 -0.059 0.000 1.103 217 R CA 1.675 57.535 56.100 -0.400 0.000 0.983 217 R CB -0.556 29.313 30.300 -0.718 0.000 0.874 217 R HN 0.233 nan 8.270 nan 0.000 0.451 218 T N 0.621 115.230 114.554 0.092 0.000 2.866 218 T HA 0.085 4.437 4.350 0.003 0.000 0.250 218 T C 1.573 176.418 174.700 0.242 0.000 1.033 218 T CA 0.726 62.934 62.100 0.179 0.000 1.145 218 T CB 0.157 69.221 68.868 0.326 0.000 0.866 218 T HN 0.096 nan 8.240 nan 0.000 0.434 219 L N 0.456 121.863 121.223 0.307 0.000 2.640 219 L HA 0.424 4.766 4.340 0.003 0.000 0.230 219 L C 1.037 178.132 176.870 0.374 0.000 1.123 219 L CA -0.322 54.706 54.840 0.312 0.000 0.900 219 L CB -0.223 41.950 42.059 0.189 0.000 1.146 219 L HN 0.408 nan 8.230 nan 0.000 0.484 220 G N 0.286 109.302 108.800 0.360 0.000 2.777 220 G HA2 -0.191 3.771 3.960 0.003 0.000 0.686 220 G HA3 -0.191 3.771 3.960 0.003 0.000 0.686 220 G C -0.230 174.813 174.900 0.237 0.000 1.177 220 G CA -0.793 44.484 45.100 0.296 0.000 0.775 220 G HN -0.044 nan 8.290 nan 0.000 0.613 221 T N 4.765 119.343 114.554 0.039 0.000 2.829 221 T HA 0.424 4.777 4.350 0.003 0.000 0.293 221 T C -1.297 173.173 174.700 -0.383 0.000 0.970 221 T CA 0.327 62.161 62.100 -0.443 0.000 1.168 221 T CB 0.944 69.601 68.868 -0.352 0.000 0.911 221 T HN 0.650 nan 8.240 nan 0.000 0.535 222 P HA 0.245 nan 4.420 nan 0.000 0.271 222 P C -0.797 176.372 177.300 -0.218 0.000 1.216 222 P CA -0.383 62.437 63.100 -0.467 0.000 0.771 222 P CB 0.824 32.100 31.700 -0.707 0.000 0.864 223 D N 0.748 121.083 120.400 -0.108 0.000 2.689 223 D HA 0.165 4.807 4.640 0.003 0.000 0.255 223 D C 0.915 177.179 176.300 -0.060 0.000 1.113 223 D CA -0.606 53.338 54.000 -0.092 0.000 1.115 223 D CB 0.265 41.032 40.800 -0.055 0.000 1.334 223 D HN 0.144 nan 8.370 nan 0.000 0.621 224 E N -0.556 119.599 120.200 -0.075 0.000 2.204 224 E HA -0.055 4.297 4.350 0.003 0.000 0.195 224 E C 1.972 178.589 176.600 0.028 0.000 0.990 224 E CA 0.593 56.966 56.400 -0.044 0.000 0.821 224 E CB -0.098 29.562 29.700 -0.068 0.000 0.750 224 E HN 0.312 nan 8.360 nan 0.000 0.477 225 V N 0.673 120.607 119.914 0.033 0.000 2.407 225 V HA -0.160 3.962 4.120 0.003 0.000 0.245 225 V C 2.471 178.629 176.094 0.105 0.000 1.041 225 V CA 0.963 63.297 62.300 0.058 0.000 1.040 225 V CB -0.290 31.556 31.823 0.039 0.000 0.671 225 V HN 0.057 nan 8.190 nan 0.000 0.455 226 V N -1.903 118.081 119.914 0.117 0.000 2.307 226 V HA -0.127 3.995 4.120 0.003 0.000 0.245 226 V C 0.784 177.061 176.094 0.306 0.000 1.045 226 V CA 1.364 63.768 62.300 0.174 0.000 1.024 226 V CB -0.108 31.799 31.823 0.140 0.000 0.651 226 V HN 0.720 nan 8.190 nan 0.000 0.449 227 W N 1.695 123.016 121.300 0.035 0.000 2.451 227 W HA 0.446 5.108 4.660 0.004 0.000 0.285 227 W C -3.125 173.394 176.519 -0.001 0.000 1.024 227 W CA -3.561 53.816 57.345 0.053 0.000 1.421 227 W CB 0.572 30.051 29.460 0.031 0.000 1.319 227 W HN 0.092 nan 8.180 nan 0.000 0.366 228 P HA 0.185 nan 4.420 nan 0.000 0.260 228 P C 0.881 178.181 177.300 -0.001 0.000 1.185 228 P CA 2.356 65.520 63.100 0.107 0.000 0.763 228 P CB 0.481 32.257 31.700 0.126 0.000 0.776 229 G N 1.871 110.583 108.800 -0.147 0.000 2.176 229 G HA2 -0.301 3.661 3.960 0.003 0.000 0.232 229 G HA3 -0.301 3.661 3.960 0.003 0.000 0.232 229 G C 0.857 175.479 174.900 -0.465 0.000 0.986 229 G CA 0.152 45.111 45.100 -0.236 0.000 0.643 229 G HN 0.387 nan 8.290 nan 0.000 0.522 230 V N 0.220 119.717 119.914 -0.695 0.000 2.332 230 V HA -0.125 3.997 4.120 0.003 0.000 0.248 230 V C 3.018 178.571 176.094 -0.901 0.000 1.055 230 V CA 3.102 64.832 62.300 -0.951 0.000 1.038 230 V CB -1.826 29.466 31.823 -0.886 0.000 0.651 230 V HN 0.964 nan 8.190 nan 0.000 0.450 231 T N -2.150 111.871 114.554 -0.889 0.000 3.007 231 T HA -0.063 4.289 4.350 0.003 0.000 0.270 231 T C 1.651 176.049 174.700 -0.503 0.000 1.107 231 T CA 1.417 62.858 62.100 -1.099 0.000 1.118 231 T CB -0.386 68.084 68.868 -0.664 0.000 0.889 231 T HN 0.489 nan 8.240 nan 0.000 0.506 232 S N 0.812 116.303 115.700 -0.349 0.000 2.575 232 S HA 0.385 4.857 4.470 0.003 0.000 0.215 232 S C 0.687 175.203 174.600 -0.140 0.000 0.966 232 S CA -0.281 57.809 58.200 -0.185 0.000 0.911 232 S CB -0.321 62.787 63.200 -0.153 0.000 0.780 232 S HN 0.518 nan 8.310 nan 0.000 0.514 233 M N 1.905 121.404 119.600 -0.168 0.000 2.243 233 M HA 0.144 4.626 4.480 0.003 0.000 0.341 233 M C -1.668 174.626 176.300 -0.010 0.000 1.130 233 M CA -1.705 53.538 55.300 -0.095 0.000 1.162 233 M CB -0.096 32.425 32.600 -0.132 0.000 1.497 233 M HN -0.149 nan 8.290 nan 0.000 0.456 234 P HA -0.194 nan 4.420 nan 0.000 0.216 234 P C 0.225 177.527 177.300 0.003 0.000 1.154 234 P CA 1.501 64.585 63.100 -0.027 0.000 0.865 234 P CB 0.184 31.848 31.700 -0.060 0.000 0.789 235 D N -3.731 116.699 120.400 0.049 0.000 2.462 235 D HA 0.056 4.698 4.640 0.003 0.000 0.221 235 D C 0.023 176.413 176.300 0.149 0.000 1.173 235 D CA -0.324 53.722 54.000 0.078 0.000 0.831 235 D CB -0.100 40.753 40.800 0.088 0.000 1.001 235 D HN 0.201 nan 8.370 nan 0.000 0.499 236 Y N 1.921 122.226 120.300 0.009 0.000 2.411 236 Y HA 0.182 4.734 4.550 0.003 0.000 0.333 236 Y C -0.132 175.553 175.900 -0.357 0.000 1.186 236 Y CA 0.158 58.236 58.100 -0.036 0.000 1.381 236 Y CB 0.566 38.990 38.460 -0.060 0.000 1.273 236 Y HN -0.375 nan 8.280 nan 0.000 0.546 237 K N 7.592 126.972 120.400 -1.700 0.000 2.426 237 K HA 0.297 4.619 4.320 0.003 0.000 0.254 237 K C -2.178 173.671 176.600 -1.251 0.000 0.936 237 K CA -1.921 53.611 56.287 -1.258 0.000 0.801 237 K CB 1.924 33.765 32.500 -1.098 0.000 1.139 237 K HN 0.335 nan 8.250 nan 0.000 0.424 238 P HA -0.158 nan 4.420 nan 0.000 0.228 238 P C 0.482 177.652 177.300 -0.217 0.000 1.151 238 P CA 0.960 63.952 63.100 -0.181 0.000 0.770 238 P CB 0.189 31.869 31.700 -0.033 0.000 0.786 239 S N -2.625 112.901 115.700 -0.290 0.000 2.593 239 S HA 0.063 4.535 4.470 0.003 0.000 0.217 239 S C 0.591 175.165 174.600 -0.042 0.000 0.966 239 S CA -0.461 57.650 58.200 -0.148 0.000 0.914 239 S CB -0.995 62.144 63.200 -0.101 0.000 0.776 239 S HN -0.179 nan 8.310 nan 0.000 0.523 240 F N 3.807 123.670 119.950 -0.145 0.000 2.629 240 F HA 0.289 4.818 4.527 0.003 0.000 0.377 240 F C -2.050 173.557 175.800 -0.322 0.000 1.101 240 F CA -2.417 55.510 58.000 -0.122 0.000 1.301 240 F CB -0.725 38.236 39.000 -0.065 0.000 1.062 240 F HN 0.085 nan 8.300 nan 0.000 0.583 241 P HA 0.041 nan 4.420 nan 0.000 0.269 241 P C -0.707 176.152 177.300 -0.736 0.000 1.209 241 P CA -0.159 62.459 63.100 -0.804 0.000 0.776 241 P CB 0.462 31.221 31.700 -1.569 0.000 0.876 242 K N 2.784 122.838 120.400 -0.577 0.000 2.356 242 K HA 0.205 4.527 4.320 0.003 0.000 0.243 242 K C -0.357 176.078 176.600 -0.275 0.000 1.072 242 K CA -0.203 55.896 56.287 -0.314 0.000 1.014 242 K CB 0.505 32.895 32.500 -0.184 0.000 1.523 242 K HN 0.514 nan 8.250 nan 0.000 0.455 243 W N 0.806 122.070 121.300 -0.060 0.000 2.183 243 W HA 0.382 5.044 4.660 0.003 0.000 0.348 243 W C 0.549 177.068 176.519 0.001 0.000 1.257 243 W CA -0.761 56.573 57.345 -0.018 0.000 1.324 243 W CB 0.924 30.390 29.460 0.010 0.000 1.144 243 W HN 0.372 nan 8.180 nan 0.000 0.622 244 A N 1.780 124.764 122.820 0.274 0.000 2.294 244 A HA 0.555 4.877 4.320 0.003 0.000 0.330 244 A C -0.106 177.581 177.584 0.172 0.000 1.133 244 A CA -0.881 51.256 52.037 0.167 0.000 0.836 244 A CB 0.756 19.825 19.000 0.116 0.000 1.190 244 A HN 0.640 nan 8.150 nan 0.000 0.492 245 R N 1.071 121.653 120.500 0.137 0.000 2.370 245 R HA 0.116 4.458 4.340 0.003 0.000 0.309 245 R C -0.273 176.094 176.300 0.112 0.000 1.059 245 R CA 0.139 56.320 56.100 0.135 0.000 0.981 245 R CB 0.107 30.466 30.300 0.098 0.000 0.972 245 R HN 0.819 nan 8.270 nan 0.000 0.437 246 Q N 2.346 122.223 119.800 0.128 0.000 2.364 246 Q HA -0.011 4.331 4.340 0.003 0.000 0.267 246 Q C -0.701 175.386 176.000 0.146 0.000 0.999 246 Q CA 0.034 55.903 55.803 0.109 0.000 0.886 246 Q CB 0.818 29.606 28.738 0.082 0.000 1.243 246 Q HN 0.492 nan 8.270 nan 0.000 0.415 247 D N 1.617 122.081 120.400 0.106 0.000 2.390 247 D HA 0.000 4.642 4.640 0.003 0.000 0.249 247 D C 0.419 176.846 176.300 0.212 0.000 1.144 247 D CA 0.215 54.283 54.000 0.113 0.000 0.880 247 D CB 0.526 41.360 40.800 0.056 0.000 1.182 247 D HN 0.533 nan 8.370 nan 0.000 0.451 248 F N 0.901 120.817 119.950 -0.057 0.000 2.236 248 F HA -0.273 4.256 4.527 0.003 0.000 0.302 248 F C 2.476 178.218 175.800 -0.097 0.000 1.073 248 F CA 0.547 58.492 58.000 -0.091 0.000 1.336 248 F CB 0.122 39.058 39.000 -0.105 0.000 1.040 248 F HN 0.343 nan 8.300 nan 0.000 0.507 249 S N -0.147 115.614 115.700 0.101 0.000 2.400 249 S HA -0.257 4.215 4.470 0.003 0.000 0.232 249 S C 1.753 176.340 174.600 -0.022 0.000 1.025 249 S CA 1.345 59.557 58.200 0.020 0.000 0.993 249 S CB -0.341 62.871 63.200 0.021 0.000 0.808 249 S HN 0.458 nan 8.310 nan 0.000 0.478 250 K N 1.032 121.423 120.400 -0.015 0.000 2.202 250 K HA 0.132 4.454 4.320 0.003 0.000 0.201 250 K C 1.932 178.474 176.600 -0.097 0.000 1.051 250 K CA 0.607 56.867 56.287 -0.045 0.000 0.977 250 K CB -0.092 32.395 32.500 -0.023 0.000 0.792 250 K HN 0.240 nan 8.250 nan 0.000 0.469 251 V N 0.753 120.596 119.914 -0.119 0.000 2.295 251 V HA -0.131 3.991 4.120 0.003 0.000 0.246 251 V C 1.321 177.215 176.094 -0.334 0.000 1.049 251 V CA 1.351 63.505 62.300 -0.244 0.000 1.024 251 V CB 0.299 31.916 31.823 -0.344 0.000 0.648 251 V HN 0.194 nan 8.190 nan 0.000 0.447 252 V N 1.252 120.963 119.914 -0.338 0.000 2.384 252 V HA 0.331 4.453 4.120 0.003 0.000 0.257 252 V C -1.796 174.163 176.094 -0.225 0.000 0.969 252 V CA -1.169 60.923 62.300 -0.348 0.000 0.910 252 V CB 1.298 32.804 31.823 -0.528 0.000 1.150 252 V HN 0.318 nan 8.190 nan 0.000 0.481 253 P HA -0.033 nan 4.420 nan 0.000 0.215 253 P C -1.330 175.917 177.300 -0.089 0.000 1.157 253 P CA 1.441 64.478 63.100 -0.106 0.000 0.868 253 P CB -0.676 30.969 31.700 -0.092 0.000 0.788 254 P HA -0.046 nan 4.420 nan 0.000 0.229 254 P C 0.103 177.372 177.300 -0.052 0.000 1.150 254 P CA 0.633 63.692 63.100 -0.069 0.000 0.765 254 P CB -0.164 31.492 31.700 -0.072 0.000 0.783 255 L N 0.799 121.972 121.223 -0.084 0.000 2.334 255 L HA 0.240 4.582 4.340 0.003 0.000 0.277 255 L C 0.386 177.250 176.870 -0.010 0.000 1.075 255 L CA -0.998 53.802 54.840 -0.066 0.000 0.804 255 L CB 0.639 42.584 42.059 -0.190 0.000 1.174 255 L HN -0.075 nan 8.230 nan 0.000 0.438 256 D N 1.215 121.647 120.400 0.053 0.000 2.348 256 D HA 0.070 4.712 4.640 0.003 0.000 0.249 256 D C 0.883 177.226 176.300 0.072 0.000 1.110 256 D CA -0.310 53.733 54.000 0.072 0.000 0.967 256 D CB 0.512 41.378 40.800 0.111 0.000 1.139 256 D HN 0.682 nan 8.370 nan 0.000 0.466 257 E N 0.119 120.360 120.200 0.068 0.000 2.136 257 E HA -0.368 3.984 4.350 0.003 0.000 0.202 257 E C 0.780 177.439 176.600 0.099 0.000 1.019 257 E CA 1.832 58.273 56.400 0.068 0.000 0.819 257 E CB -0.035 29.699 29.700 0.057 0.000 0.739 257 E HN 0.544 nan 8.360 nan 0.000 0.458 258 D N -0.916 119.577 120.400 0.156 0.000 2.149 258 D HA -0.054 4.588 4.640 0.003 0.000 0.201 258 D C 1.819 178.200 176.300 0.136 0.000 0.972 258 D CA 1.213 55.373 54.000 0.266 0.000 0.835 258 D CB -0.485 40.523 40.800 0.346 0.000 0.966 258 D HN 0.376 nan 8.370 nan 0.000 0.476 259 G N 0.639 109.428 108.800 -0.017 0.000 2.402 259 G HA2 -0.234 3.728 3.960 0.003 0.000 0.216 259 G HA3 -0.234 3.728 3.960 0.003 0.000 0.216 259 G C 1.736 176.481 174.900 -0.258 0.000 1.162 259 G CA 0.144 44.937 45.100 -0.513 0.000 0.777 259 G HN 0.187 nan 8.290 nan 0.000 0.539 260 R N 0.328 120.782 120.500 -0.076 0.000 2.096 260 R HA -0.065 4.277 4.340 0.003 0.000 0.235 260 R C 2.903 179.247 176.300 0.074 0.000 1.127 260 R CA 1.410 57.545 56.100 0.057 0.000 0.968 260 R CB -0.412 29.946 30.300 0.097 0.000 0.861 260 R HN 0.441 nan 8.270 nan 0.000 0.440 261 S N 0.913 116.630 115.700 0.028 0.000 2.355 261 S HA -0.126 4.346 4.470 0.003 0.000 0.222 261 S C 1.944 176.517 174.600 -0.044 0.000 1.031 261 S CA 0.915 59.150 58.200 0.058 0.000 0.993 261 S CB -0.156 63.180 63.200 0.227 0.000 0.859 261 S HN 0.208 nan 8.310 nan 0.000 0.453 262 L N 1.435 122.455 121.223 -0.339 0.000 1.994 262 L HA 0.057 4.399 4.340 0.003 0.000 0.208 262 L C 2.288 179.092 176.870 -0.111 0.000 1.071 262 L CA 1.887 56.441 54.840 -0.476 0.000 0.745 262 L CB -1.036 40.555 42.059 -0.780 0.000 0.892 262 L HN 0.477 nan 8.230 nan 0.000 0.431 263 L N -0.612 120.613 121.223 0.002 0.000 2.042 263 L HA -0.220 4.122 4.340 0.003 0.000 0.210 263 L C 2.767 179.742 176.870 0.175 0.000 1.076 263 L CA 2.230 57.123 54.840 0.089 0.000 0.749 263 L CB -0.873 41.134 42.059 -0.086 0.000 0.893 263 L HN 0.617 nan 8.230 nan 0.000 0.432 264 S N -1.598 114.244 115.700 0.236 0.000 2.402 264 S HA -0.239 4.233 4.470 0.003 0.000 0.229 264 S C 1.876 176.507 174.600 0.052 0.000 1.021 264 S CA 1.219 59.470 58.200 0.084 0.000 0.974 264 S CB -0.573 62.458 63.200 -0.282 0.000 0.800 264 S HN 0.696 nan 8.310 nan 0.000 0.484 265 Q N 0.399 120.243 119.800 0.072 0.000 2.123 265 Q HA 0.130 4.473 4.340 0.003 0.000 0.199 265 Q C 2.266 178.338 176.000 0.121 0.000 0.966 265 Q CA 1.459 57.335 55.803 0.122 0.000 0.845 265 Q CB -0.356 28.446 28.738 0.107 0.000 0.907 265 Q HN 0.630 nan 8.270 nan 0.000 0.439 266 M N -0.090 119.555 119.600 0.076 0.000 2.374 266 M HA -0.092 4.390 4.480 0.003 0.000 0.264 266 M C 1.076 177.392 176.300 0.026 0.000 1.067 266 M CA 1.126 56.465 55.300 0.064 0.000 1.103 266 M CB 0.219 32.841 32.600 0.036 0.000 1.402 266 M HN 0.145 nan 8.290 nan 0.000 0.444 267 L N -1.510 119.697 121.223 -0.027 0.000 3.066 267 L HA 0.212 4.554 4.340 0.003 0.000 0.265 267 L C 0.152 177.048 176.870 0.044 0.000 1.232 267 L CA -0.425 54.274 54.840 -0.235 0.000 1.031 267 L CB -0.363 41.471 42.059 -0.374 0.000 1.379 267 L HN 0.168 nan 8.230 nan 0.000 0.563 268 H N -1.099 118.007 119.070 0.059 0.000 2.964 268 H HA -0.040 4.518 4.556 0.004 0.000 0.328 268 H C 0.824 176.183 175.328 0.052 0.000 1.030 268 H CA 0.606 56.677 56.048 0.039 0.000 1.445 268 H CB 0.636 30.416 29.762 0.031 0.000 1.449 268 H HN 0.077 nan 8.280 nan 0.000 0.581 269 Y N 1.568 121.916 120.300 0.079 0.000 2.097 269 Y HA -0.239 4.313 4.550 0.003 0.000 0.282 269 Y C 1.421 176.799 175.900 -0.870 0.000 1.152 269 Y CA 1.265 59.210 58.100 -0.259 0.000 1.136 269 Y CB 0.096 38.472 38.460 -0.139 0.000 0.975 269 Y HN 0.656 nan 8.280 nan 0.000 0.498 270 D N 0.243 120.422 120.400 -0.370 0.000 2.358 270 D HA 0.029 4.671 4.640 0.003 0.000 0.258 270 D C -1.974 174.165 176.300 -0.267 0.000 1.223 270 D CA -2.056 51.570 54.000 -0.623 0.000 0.886 270 D CB 1.205 41.922 40.800 -0.139 0.000 1.120 270 D HN 0.016 nan 8.370 nan 0.000 0.482 271 P HA -0.073 nan 4.420 nan 0.000 0.220 271 P C 0.465 177.755 177.300 -0.016 0.000 1.148 271 P CA 1.016 64.093 63.100 -0.039 0.000 0.803 271 P CB 0.221 31.952 31.700 0.052 0.000 0.782 272 N N -0.720 117.973 118.700 -0.012 0.000 2.396 272 N HA -0.061 4.681 4.740 0.003 0.000 0.180 272 N C 1.459 176.924 175.510 -0.074 0.000 1.028 272 N CA 0.795 53.838 53.050 -0.012 0.000 0.893 272 N CB -0.190 38.314 38.487 0.028 0.000 0.967 272 N HN 0.195 nan 8.380 nan 0.000 0.440 273 K N 0.141 120.430 120.400 -0.185 0.000 2.348 273 K HA 0.130 4.452 4.320 0.003 0.000 0.194 273 K C 0.364 176.745 176.600 -0.364 0.000 1.052 273 K CA -0.261 55.806 56.287 -0.368 0.000 1.004 273 K CB 0.453 32.550 32.500 -0.672 0.000 0.873 273 K HN 0.030 nan 8.250 nan 0.000 0.523 274 R N 2.216 122.597 120.500 -0.198 0.000 2.583 274 R HA -0.004 4.338 4.340 0.003 0.000 0.274 274 R C -0.025 176.288 176.300 0.021 0.000 0.998 274 R CA 0.045 56.145 56.100 -0.001 0.000 1.081 274 R CB 0.143 30.503 30.300 0.101 0.000 0.940 274 R HN 0.124 nan 8.270 nan 0.000 0.413 275 I N 3.295 123.904 120.570 0.065 0.000 2.813 275 I HA -0.060 4.112 4.170 0.003 0.000 0.287 275 I C 0.367 176.544 176.117 0.100 0.000 1.196 275 I CA 0.437 61.786 61.300 0.083 0.000 1.421 275 I CB 0.775 38.841 38.000 0.110 0.000 1.365 275 I HN 0.842 nan 8.210 nan 0.000 0.591 276 S N 5.619 121.381 115.700 0.104 0.000 2.645 276 S HA 0.443 4.916 4.470 0.003 0.000 0.266 276 S C 1.033 175.709 174.600 0.127 0.000 1.258 276 S CA -0.192 58.084 58.200 0.127 0.000 0.990 276 S CB 1.582 64.854 63.200 0.120 0.000 0.967 276 S HN 0.815 nan 8.310 nan 0.000 0.556 277 A N 0.936 123.835 122.820 0.133 0.000 1.933 277 A HA -0.070 4.252 4.320 0.003 0.000 0.218 277 A C 2.162 179.772 177.584 0.043 0.000 1.175 277 A CA 1.591 53.663 52.037 0.059 0.000 0.628 277 A CB -0.825 18.160 19.000 -0.024 0.000 0.814 277 A HN 0.893 nan 8.150 nan 0.000 0.444 278 K N -0.366 120.076 120.400 0.070 0.000 2.097 278 K HA -0.030 4.292 4.320 0.003 0.000 0.205 278 K C 2.068 178.718 176.600 0.084 0.000 1.050 278 K CA 1.119 57.442 56.287 0.060 0.000 0.938 278 K CB -0.243 32.301 32.500 0.073 0.000 0.718 278 K HN 0.379 nan 8.250 nan 0.000 0.442 279 A N 0.741 123.625 122.820 0.106 0.000 2.016 279 A HA 0.057 4.379 4.320 0.003 0.000 0.217 279 A C 2.187 179.886 177.584 0.192 0.000 1.162 279 A CA 1.316 53.432 52.037 0.132 0.000 0.662 279 A CB -0.362 18.710 19.000 0.120 0.000 0.812 279 A HN 0.414 nan 8.150 nan 0.000 0.450 280 A N 0.145 123.081 122.820 0.192 0.000 1.933 280 A HA -0.028 4.294 4.320 0.003 0.000 0.218 280 A C 2.040 179.865 177.584 0.402 0.000 1.175 280 A CA 1.353 53.560 52.037 0.284 0.000 0.628 280 A CB -0.598 18.528 19.000 0.210 0.000 0.814 280 A HN 0.469 nan 8.150 nan 0.000 0.444 281 L N -0.898 120.432 121.223 0.178 0.000 2.187 281 L HA -0.194 4.148 4.340 0.003 0.000 0.213 281 L C 2.770 179.832 176.870 0.319 0.000 1.100 281 L CA 0.975 55.878 54.840 0.105 0.000 0.765 281 L CB -0.388 41.626 42.059 -0.075 0.000 0.904 281 L HN 0.440 nan 8.230 nan 0.000 0.437 282 A N -2.272 120.720 122.820 0.286 0.000 2.178 282 A HA -0.067 4.255 4.320 0.003 0.000 0.211 282 A C 1.057 178.812 177.584 0.285 0.000 1.157 282 A CA -0.046 52.142 52.037 0.251 0.000 0.780 282 A CB -0.561 18.537 19.000 0.165 0.000 0.828 282 A HN 0.319 nan 8.150 nan 0.000 0.476 283 H N 1.120 120.379 119.070 0.314 0.000 2.928 283 H HA 0.058 4.616 4.556 0.003 0.000 0.338 283 H C -1.461 174.005 175.328 0.229 0.000 1.047 283 H CA -0.894 55.307 56.048 0.255 0.000 1.435 283 H CB 1.167 31.083 29.762 0.257 0.000 1.428 283 H HN 0.090 nan 8.280 nan 0.000 0.590 284 P HA -0.210 nan 4.420 nan 0.000 0.218 284 P C 1.573 178.960 177.300 0.145 0.000 1.146 284 P CA 0.866 63.968 63.100 0.003 0.000 0.813 284 P CB -0.238 31.399 31.700 -0.105 0.000 0.778 285 F N 0.582 120.647 119.950 0.193 0.000 2.147 285 F HA -0.191 4.338 4.527 0.003 0.000 0.301 285 F C 1.492 177.140 175.800 -0.253 0.000 1.084 285 F CA 1.525 59.474 58.000 -0.086 0.000 1.268 285 F CB -0.791 38.033 39.000 -0.292 0.000 1.009 285 F HN -0.240 nan 8.300 nan 0.000 0.486 286 F N 0.912 120.886 119.950 0.041 0.000 2.732 286 F HA 0.084 4.614 4.527 0.004 0.000 0.303 286 F C 2.270 177.935 175.800 -0.224 0.000 1.110 286 F CA 0.340 58.228 58.000 -0.187 0.000 1.355 286 F CB -1.172 37.830 39.000 0.002 0.000 1.081 286 F HN 0.193 nan 8.300 nan 0.000 0.565 287 Q N 0.902 120.699 119.800 -0.004 0.000 2.170 287 Q HA -0.231 4.111 4.340 0.003 0.000 0.203 287 Q C 0.508 176.455 176.000 -0.089 0.000 0.976 287 Q CA 2.268 58.054 55.803 -0.028 0.000 0.858 287 Q CB -0.746 27.985 28.738 -0.011 0.000 0.907 287 Q HN 0.500 nan 8.270 nan 0.000 0.433 288 D N 0.331 120.651 120.400 -0.133 0.000 2.349 288 D HA 0.085 4.727 4.640 0.003 0.000 0.214 288 D C 0.418 176.620 176.300 -0.164 0.000 1.063 288 D CA -0.254 53.667 54.000 -0.131 0.000 0.847 288 D CB 0.360 41.088 40.800 -0.120 0.000 0.933 288 D HN 0.092 nan 8.370 nan 0.000 0.513 289 V N 1.609 121.387 119.914 -0.228 0.000 2.644 289 V HA 0.143 4.265 4.120 0.003 0.000 0.305 289 V C 0.472 176.435 176.094 -0.220 0.000 1.053 289 V CA 1.087 63.222 62.300 -0.275 0.000 1.186 289 V CB 0.382 31.913 31.823 -0.487 0.000 0.895 289 V HN 0.570 nan 8.190 nan 0.000 0.490 290 T N 3.500 117.962 114.554 -0.152 0.000 2.858 290 T HA 0.493 4.845 4.350 0.003 0.000 0.285 290 T C -0.414 174.248 174.700 -0.064 0.000 1.052 290 T CA -0.858 61.184 62.100 -0.096 0.000 1.009 290 T CB 1.605 70.431 68.868 -0.070 0.000 1.241 290 T HN 0.640 nan 8.240 nan 0.000 0.542 291 K N 1.946 122.325 120.400 -0.035 0.000 2.533 291 K HA 0.424 4.746 4.320 0.003 0.000 0.207 291 K C -2.573 174.015 176.600 -0.020 0.000 1.052 291 K CA -1.855 54.425 56.287 -0.012 0.000 1.030 291 K CB 0.236 32.744 32.500 0.013 0.000 1.522 291 K HN 0.419 nan 8.250 nan 0.000 0.543 292 P HA 0.048 nan 4.420 nan 0.000 0.272 292 P C -0.826 176.458 177.300 -0.026 0.000 1.230 292 P CA -0.585 62.500 63.100 -0.026 0.000 0.788 292 P CB 0.975 32.657 31.700 -0.030 0.000 0.949 293 V N 4.295 124.206 119.914 -0.004 0.000 2.407 293 V HA 0.284 4.406 4.120 0.003 0.000 0.278 293 V C -1.821 174.290 176.094 0.028 0.000 1.037 293 V CA -1.603 60.688 62.300 -0.014 0.000 0.900 293 V CB 0.978 32.773 31.823 -0.047 0.000 0.983 293 V HN 0.644 nan 8.190 nan 0.000 0.459 294 P HA 0.148 nan 4.420 nan 0.000 0.269 294 P C -0.332 177.093 177.300 0.208 0.000 1.209 294 P CA -0.055 63.137 63.100 0.153 0.000 0.776 294 P CB 0.793 32.453 31.700 -0.067 0.000 0.876 295 H N 0.900 120.093 119.070 0.204 0.000 2.539 295 H HA 0.244 4.802 4.556 0.003 0.000 0.269 295 H C 0.325 175.781 175.328 0.213 0.000 0.980 295 H CA 0.020 56.163 56.048 0.157 0.000 1.152 295 H CB -0.272 29.558 29.762 0.114 0.000 1.407 295 H HN 0.133 nan 8.280 nan 0.000 0.564 296 L N -1.882 119.638 121.223 0.496 0.000 0.636 296 L HA -0.004 4.338 4.340 0.003 0.000 0.356 296 L C 0.437 177.533 176.870 0.377 0.000 0.982 296 L CA 1.392 56.538 54.840 0.509 0.000 1.223 296 L CB -1.218 41.041 42.059 0.332 0.000 0.091 296 L HN 0.537 nan 8.230 nan 0.000 0.099 297 R N 0.000 120.664 120.500 0.274 0.000 2.786 297 R HA 0.000 4.342 4.340 0.003 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