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 1skq_1_B DATA FIRST_RESID 4 DATA SEQUENCE KPHLNLIVIG HVDHGKSTLV GRLLMDRGFI DEKTVKEAEE AAKKLGKESE DATA SEQUENCE KFAFLLDRLK EEXXXXXXXX XXXMRFETKK YFFTIIDAPG HRDFVKNMIT DATA SEQUENCE GASQADAAIL VVSAKKGEYE AGMSVEGQTR EHIILAKTMG LDQLIVAVNK DATA SEQUENCE MDLTEPPYDE KRYKEIVDQV SKFMRSYGFN TNKVRFVPVV APSGDNITHK DATA SEQUENCE SENMKWYNGP TLEEYLDQLE LPPKPVDKPL RIPIQDVYSI SGVGTVPVGR DATA SEQUENCE VESGVLKVGD KIVFMPAGKV GEVRSIETHH TKMDKAEPGD NIGFNVRGVE DATA SEQUENCE KKDIKRGDVV GHPNNPPTVA DEFTARIIVV WHPTALANGY TPVLHVHTAS DATA SEQUENCE VACRVSELVS KLDPRTGQEA EKNPQFLKQG DVAIVKFKPI KPLCVEKYNE DATA SEQUENCE FPPLGRFAMR DMGKTVGVGI IVDVKPA 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.735 176.600 0.224 0.000 0.988 4 K CA 0.000 56.362 56.287 0.125 0.000 0.838 4 K CB 0.000 32.535 32.500 0.059 0.000 1.064 5 P HA 0.061 nan 4.420 nan 0.000 0.272 5 P C -1.250 176.194 177.300 0.241 0.000 1.230 5 P CA -0.177 63.056 63.100 0.223 0.000 0.788 5 P CB 0.358 32.221 31.700 0.271 0.000 0.949 6 H N 1.104 120.207 119.070 0.054 0.000 2.466 6 H HA 0.622 5.178 4.556 0.000 0.000 0.338 6 H C -1.180 174.056 175.328 -0.153 0.000 1.091 6 H CA -0.558 55.472 56.048 -0.030 0.000 1.207 6 H CB 0.440 30.194 29.762 -0.013 0.000 1.466 6 H HN 0.167 nan 8.280 nan 0.000 0.493 7 L N 4.093 124.765 121.223 -0.919 0.000 2.370 7 L HA 0.427 4.767 4.340 0.000 0.000 0.266 7 L C -0.511 176.106 176.870 -0.421 0.000 1.002 7 L CA -1.270 53.238 54.840 -0.553 0.000 0.818 7 L CB 2.056 43.771 42.059 -0.574 0.000 1.325 7 L HN 0.698 nan 8.230 nan 0.000 0.418 8 N N 2.536 121.194 118.700 -0.069 0.000 2.443 8 N HA 0.716 5.456 4.740 0.000 0.000 0.295 8 N C -1.051 174.521 175.510 0.104 0.000 1.076 8 N CA -0.366 52.730 53.050 0.076 0.000 0.919 8 N CB 2.249 40.819 38.487 0.137 0.000 1.176 8 N HN 0.390 nan 8.380 nan 0.000 0.487 9 L N 1.649 122.949 121.223 0.128 0.000 2.370 9 L HA 0.640 4.980 4.340 0.000 0.000 0.266 9 L C 0.008 176.939 176.870 0.102 0.000 1.002 9 L CA -1.070 53.834 54.840 0.107 0.000 0.818 9 L CB 1.936 44.047 42.059 0.087 0.000 1.325 9 L HN 0.422 nan 8.230 nan 0.000 0.418 10 I N -0.609 120.016 120.570 0.092 0.000 2.750 10 I HA 0.751 4.921 4.170 0.000 0.000 0.308 10 I C -0.810 175.340 176.117 0.056 0.000 1.016 10 I CA -1.048 60.312 61.300 0.099 0.000 1.098 10 I CB 2.130 40.228 38.000 0.164 0.000 1.279 10 I HN 0.159 nan 8.210 nan 0.000 0.454 11 V N 5.194 125.120 119.914 0.021 0.000 2.487 11 V HA 0.542 4.662 4.120 0.000 0.000 0.298 11 V C 0.076 176.134 176.094 -0.059 0.000 1.028 11 V CA -0.425 61.871 62.300 -0.006 0.000 0.860 11 V CB 1.515 33.335 31.823 -0.005 0.000 0.991 11 V HN 0.719 nan 8.190 nan 0.000 0.427 12 I N 1.627 122.171 120.570 -0.044 0.000 3.067 12 I HA 1.120 5.290 4.170 0.000 0.000 0.312 12 I C 0.251 176.405 176.117 0.063 0.000 1.073 12 I CA -0.903 60.342 61.300 -0.091 0.000 1.016 12 I CB 2.393 40.337 38.000 -0.093 0.000 1.227 12 I HN 0.830 nan 8.210 nan 0.000 0.456 13 G N 0.462 109.435 108.800 0.289 0.000 2.326 13 G HA2 0.036 3.996 3.960 0.000 0.000 0.413 13 G HA3 0.036 3.996 3.960 0.000 0.000 0.413 13 G C -1.429 173.495 174.900 0.039 0.000 1.444 13 G CA -0.876 44.337 45.100 0.188 0.000 1.002 13 G HN 1.066 nan 8.290 nan 0.000 0.649 14 H N -0.117 118.721 119.070 -0.387 0.000 2.948 14 H HA 0.247 4.804 4.556 0.000 0.000 0.351 14 H C 0.974 176.075 175.328 -0.378 0.000 1.079 14 H CA 1.038 56.741 56.048 -0.575 0.000 1.407 14 H CB 1.389 30.513 29.762 -1.062 0.000 1.373 14 H HN 0.695 nan 8.280 nan 0.000 0.605 15 V N 4.344 123.899 119.914 -0.598 0.000 2.720 15 V HA -0.150 3.970 4.120 0.000 0.000 0.307 15 V C 0.501 176.605 176.094 0.017 0.000 1.071 15 V CA 1.485 63.630 62.300 -0.258 0.000 1.199 15 V CB -0.192 31.453 31.823 -0.297 0.000 0.900 15 V HN 1.179 nan 8.190 nan 0.000 0.494 16 D N 2.461 122.896 120.400 0.058 0.000 3.028 16 D HA -0.201 4.439 4.640 0.000 0.000 0.207 16 D C 0.843 177.295 176.300 0.253 0.000 1.100 16 D CA 1.619 55.702 54.000 0.138 0.000 0.995 16 D CB -1.362 39.522 40.800 0.140 0.000 1.108 16 D HN 0.955 nan 8.370 nan 0.000 0.421 17 H N -1.075 118.034 119.070 0.065 0.000 2.551 17 H HA 0.298 4.854 4.556 0.000 0.000 0.266 17 H C 1.827 177.176 175.328 0.034 0.000 0.977 17 H CA 0.529 56.611 56.048 0.058 0.000 1.163 17 H CB 0.567 30.377 29.762 0.080 0.000 1.381 17 H HN 0.316 nan 8.280 nan 0.000 0.581 18 G N 1.089 109.974 108.800 0.141 0.000 2.145 18 G HA2 -0.212 3.748 3.960 0.000 0.000 0.145 18 G HA3 -0.212 3.748 3.960 0.000 0.000 0.145 18 G C 0.926 175.866 174.900 0.068 0.000 1.017 18 G CA 0.062 45.211 45.100 0.082 0.000 0.682 18 G HN 0.284 nan 8.290 nan 0.000 0.504 19 K N 0.892 121.331 120.400 0.064 0.000 2.002 19 K HA -0.077 4.243 4.320 0.000 0.000 0.209 19 K C 2.878 179.503 176.600 0.042 0.000 1.048 19 K CA 1.936 58.248 56.287 0.041 0.000 0.930 19 K CB -0.294 32.219 32.500 0.022 0.000 0.714 19 K HN 0.598 nan 8.250 nan 0.000 0.438 20 S N 0.458 116.189 115.700 0.053 0.000 2.423 20 S HA -0.108 4.362 4.470 0.000 0.000 0.231 20 S C 1.974 176.616 174.600 0.071 0.000 1.014 20 S CA 1.573 59.808 58.200 0.058 0.000 0.965 20 S CB -0.450 62.787 63.200 0.062 0.000 0.785 20 S HN 0.171 nan 8.310 nan 0.000 0.495 21 T N 2.383 116.998 114.554 0.103 0.000 2.812 21 T HA 0.136 4.486 4.350 0.000 0.000 0.264 21 T C 1.674 176.482 174.700 0.181 0.000 1.042 21 T CA 1.219 63.436 62.100 0.195 0.000 1.140 21 T CB -0.482 68.481 68.868 0.158 0.000 0.870 21 T HN 0.380 nan 8.240 nan 0.000 0.445 22 L N 1.120 122.390 121.223 0.078 0.000 2.093 22 L HA -0.045 4.295 4.340 0.000 0.000 0.208 22 L C 2.374 179.227 176.870 -0.028 0.000 1.085 22 L CA 1.128 55.981 54.840 0.023 0.000 0.755 22 L CB -0.303 41.752 42.059 -0.008 0.000 0.904 22 L HN 0.047 nan 8.230 nan 0.000 0.435 23 V N 0.042 119.940 119.914 -0.027 0.000 2.295 23 V HA -0.216 3.904 4.120 0.000 0.000 0.246 23 V C 2.636 178.671 176.094 -0.099 0.000 1.049 23 V CA 1.836 64.091 62.300 -0.075 0.000 1.024 23 V CB -1.504 30.306 31.823 -0.023 0.000 0.648 23 V HN 0.648 nan 8.190 nan 0.000 0.447 24 G N -0.010 108.753 108.800 -0.061 0.000 2.476 24 G HA2 -0.365 3.595 3.960 0.000 0.000 0.218 24 G HA3 -0.365 3.595 3.960 0.000 0.000 0.218 24 G C 1.662 176.452 174.900 -0.183 0.000 1.164 24 G CA 1.232 46.231 45.100 -0.168 0.000 0.768 24 G HN 0.420 nan 8.290 nan 0.000 0.560 25 R N 0.357 120.870 120.500 0.023 0.000 2.083 25 R HA 0.077 4.417 4.340 0.000 0.000 0.237 25 R C 2.596 178.849 176.300 -0.079 0.000 1.137 25 R CA 1.222 57.401 56.100 0.132 0.000 0.951 25 R CB -0.847 29.574 30.300 0.201 0.000 0.851 25 R HN 0.412 nan 8.270 nan 0.000 0.434 26 L N -0.115 120.973 121.223 -0.224 0.000 2.046 26 L HA -0.176 4.165 4.340 0.000 0.000 0.208 26 L C 2.311 178.923 176.870 -0.430 0.000 1.077 26 L CA 1.293 55.850 54.840 -0.471 0.000 0.747 26 L CB -0.416 41.118 42.059 -0.874 0.000 0.896 26 L HN 0.234 nan 8.230 nan 0.000 0.432 27 L N -1.279 119.767 121.223 -0.295 0.000 2.093 27 L HA -0.224 4.116 4.340 0.000 0.000 0.208 27 L C 2.597 179.398 176.870 -0.114 0.000 1.085 27 L CA 1.267 56.023 54.840 -0.140 0.000 0.755 27 L CB -0.382 41.638 42.059 -0.064 0.000 0.904 27 L HN 0.321 nan 8.230 nan 0.000 0.435 28 M N -0.517 119.007 119.600 -0.126 0.000 2.132 28 M HA -0.175 4.305 4.480 0.000 0.000 0.263 28 M C 1.582 177.846 176.300 -0.061 0.000 1.065 28 M CA 1.538 56.785 55.300 -0.088 0.000 1.122 28 M CB -0.283 32.262 32.600 -0.091 0.000 1.365 28 M HN 0.173 nan 8.290 nan 0.000 0.411 29 D N -0.446 119.915 120.400 -0.066 0.000 2.249 29 D HA 0.002 4.642 4.640 0.000 0.000 0.205 29 D C 1.552 177.812 176.300 -0.066 0.000 0.962 29 D CA 0.877 54.850 54.000 -0.044 0.000 0.860 29 D CB 0.122 40.908 40.800 -0.023 0.000 0.955 29 D HN 0.190 nan 8.370 nan 0.000 0.505 30 R N 0.013 120.454 120.500 -0.098 0.000 2.549 30 R HA 0.320 4.660 4.340 0.000 0.000 0.344 30 R C 0.883 177.066 176.300 -0.196 0.000 0.979 30 R CA -0.136 55.922 56.100 -0.070 0.000 1.140 30 R CB 1.017 31.375 30.300 0.097 0.000 1.377 30 R HN 0.026 nan 8.270 nan 0.000 0.541 31 G N -0.361 108.292 108.800 -0.245 0.000 2.574 31 G HA2 0.381 4.341 3.960 0.000 0.000 0.248 31 G HA3 0.381 4.341 3.960 0.000 0.000 0.248 31 G C -0.448 173.982 174.900 -0.784 0.000 1.422 31 G CA -0.330 44.540 45.100 -0.383 0.000 1.051 31 G HN 0.093 nan 8.290 nan 0.000 0.560 32 F N -0.158 119.880 119.950 0.147 0.000 2.688 32 F HA 0.406 4.933 4.527 0.000 0.000 0.376 32 F C 0.388 176.238 175.800 0.084 0.000 1.428 32 F CA -0.458 57.612 58.000 0.117 0.000 1.156 32 F CB 0.545 39.622 39.000 0.129 0.000 1.141 32 F HN -0.016 nan 8.300 nan 0.000 0.521 33 I N 1.485 122.131 120.570 0.128 0.000 2.668 33 I HA -0.109 4.061 4.170 0.000 0.000 0.285 33 I C 1.704 177.886 176.117 0.109 0.000 1.168 33 I CA 0.269 61.630 61.300 0.102 0.000 1.424 33 I CB 0.512 38.540 38.000 0.047 0.000 1.377 33 I HN 0.281 nan 8.210 nan 0.000 0.560 34 D N 5.571 126.034 120.400 0.105 0.000 2.664 34 D HA -0.293 4.348 4.640 0.000 0.000 0.195 34 D C 0.870 177.215 176.300 0.076 0.000 1.063 34 D CA 1.678 55.732 54.000 0.090 0.000 0.935 34 D CB 0.079 40.926 40.800 0.079 0.000 0.877 34 D HN 0.721 nan 8.370 nan 0.000 0.464 35 E N -1.486 118.753 120.200 0.065 0.000 8.964 35 E HA -0.425 3.925 4.350 0.000 0.000 0.468 35 E C 0.707 177.329 176.600 0.036 0.000 1.286 35 E CA 1.720 58.148 56.400 0.048 0.000 2.235 35 E CB -0.371 29.363 29.700 0.057 0.000 1.018 35 E HN 0.343 nan 8.360 nan 0.000 0.273 36 K N -0.948 119.463 120.400 0.019 0.000 3.518 36 K HA -0.298 4.022 4.320 0.000 0.000 0.287 36 K C 0.891 177.493 176.600 0.004 0.000 0.935 36 K CA 3.442 59.735 56.287 0.010 0.000 1.201 36 K CB -2.194 30.319 32.500 0.020 0.000 1.453 36 K HN 0.511 nan 8.250 nan 0.000 0.443 37 T N 0.213 114.783 114.554 0.026 0.000 3.014 37 T HA 0.123 4.474 4.350 0.000 0.000 0.263 37 T C 1.652 176.346 174.700 -0.009 0.000 1.078 37 T CA 0.966 63.096 62.100 0.049 0.000 1.135 37 T CB -0.002 68.925 68.868 0.099 0.000 0.895 37 T HN 0.200 nan 8.240 nan 0.000 0.480 38 V N 1.291 121.198 119.914 -0.012 0.000 2.548 38 V HA -0.089 4.031 4.120 0.000 0.000 0.249 38 V C 2.345 178.385 176.094 -0.090 0.000 1.055 38 V CA 1.377 63.654 62.300 -0.039 0.000 1.065 38 V CB -0.377 31.440 31.823 -0.010 0.000 0.681 38 V HN 0.291 nan 8.190 nan 0.000 0.462 39 K N 0.500 120.854 120.400 -0.076 0.000 2.057 39 K HA -0.097 4.223 4.320 0.000 0.000 0.206 39 K C 2.044 178.549 176.600 -0.159 0.000 1.050 39 K CA 1.153 57.387 56.287 -0.088 0.000 0.935 39 K CB -0.353 32.116 32.500 -0.051 0.000 0.715 39 K HN 0.533 nan 8.250 nan 0.000 0.439 40 E N 0.180 120.259 120.200 -0.202 0.000 2.085 40 E HA -0.180 4.170 4.350 0.000 0.000 0.194 40 E C 1.979 178.145 176.600 -0.723 0.000 0.994 40 E CA 1.168 57.360 56.400 -0.347 0.000 0.801 40 E CB -0.165 29.379 29.700 -0.261 0.000 0.743 40 E HN 0.348 nan 8.360 nan 0.000 0.453 41 A N 1.262 123.624 122.820 -0.763 0.000 1.898 41 A HA -0.231 4.089 4.320 0.000 0.000 0.216 41 A C 1.929 179.296 177.584 -0.362 0.000 1.181 41 A CA 1.462 53.030 52.037 -0.780 0.000 0.620 41 A CB -0.366 18.442 19.000 -0.321 0.000 0.819 41 A HN 0.142 nan 8.150 nan 0.000 0.442 42 E N -0.241 119.822 120.200 -0.228 0.000 2.110 42 E HA -0.189 4.161 4.350 0.000 0.000 0.193 42 E C 2.019 178.548 176.600 -0.118 0.000 0.988 42 E CA 1.417 57.743 56.400 -0.124 0.000 0.804 42 E CB -0.119 29.530 29.700 -0.085 0.000 0.745 42 E HN 0.744 nan 8.360 nan 0.000 0.458 43 E N 0.368 120.477 120.200 -0.153 0.000 2.072 43 E HA -0.171 4.179 4.350 0.000 0.000 0.191 43 E C 2.134 178.675 176.600 -0.098 0.000 0.985 43 E CA 0.811 57.146 56.400 -0.109 0.000 0.801 43 E CB -0.135 29.501 29.700 -0.107 0.000 0.750 43 E HN 0.228 nan 8.360 nan 0.000 0.452 44 A N 1.762 124.484 122.820 -0.164 0.000 1.908 44 A HA -0.180 4.140 4.320 0.000 0.000 0.218 44 A C 2.434 180.006 177.584 -0.019 0.000 1.181 44 A CA 1.874 53.870 52.037 -0.069 0.000 0.627 44 A CB -0.731 18.229 19.000 -0.067 0.000 0.818 44 A HN 0.298 nan 8.150 nan 0.000 0.445 45 A N -0.406 122.390 122.820 -0.040 0.000 1.972 45 A HA -0.143 4.177 4.320 0.000 0.000 0.219 45 A C 2.071 179.651 177.584 -0.006 0.000 1.169 45 A CA 1.792 53.825 52.037 -0.005 0.000 0.635 45 A CB -0.375 18.621 19.000 -0.007 0.000 0.810 45 A HN 0.597 nan 8.150 nan 0.000 0.446 46 K N -0.199 120.188 120.400 -0.021 0.000 1.985 46 K HA -0.148 4.172 4.320 0.000 0.000 0.210 46 K C 2.039 178.637 176.600 -0.004 0.000 1.047 46 K CA 1.618 57.896 56.287 -0.015 0.000 0.932 46 K CB -0.198 32.288 32.500 -0.023 0.000 0.716 46 K HN 0.185 nan 8.250 nan 0.000 0.439 47 K N 1.141 121.539 120.400 -0.002 0.000 1.971 47 K HA -0.138 4.182 4.320 0.000 0.000 0.221 47 K C 1.860 178.468 176.600 0.014 0.000 1.050 47 K CA 1.229 57.521 56.287 0.008 0.000 0.967 47 K CB -0.809 31.701 32.500 0.015 0.000 0.733 47 K HN -0.055 nan 8.250 nan 0.000 0.445 48 L N 0.262 121.498 121.223 0.022 0.000 2.450 48 L HA -0.073 4.267 4.340 0.000 0.000 0.225 48 L C 1.327 178.208 176.870 0.019 0.000 1.145 48 L CA 2.025 56.880 54.840 0.026 0.000 0.801 48 L CB -1.472 40.610 42.059 0.039 0.000 0.924 48 L HN 0.665 nan 8.230 nan 0.000 0.447 49 G N -0.367 108.441 108.800 0.013 0.000 2.180 49 G HA2 -0.348 3.612 3.960 0.000 0.000 0.263 49 G HA3 -0.348 3.612 3.960 0.000 0.000 0.263 49 G C 0.433 175.339 174.900 0.011 0.000 0.989 49 G CA 0.838 45.943 45.100 0.009 0.000 0.692 49 G HN 0.541 nan 8.290 nan 0.000 0.526 50 K N -0.719 119.691 120.400 0.017 0.000 2.345 50 K HA 0.734 5.054 4.320 0.000 0.000 0.255 50 K C 0.589 177.203 176.600 0.023 0.000 0.934 50 K CA -0.772 55.526 56.287 0.019 0.000 0.801 50 K CB 2.508 35.022 32.500 0.023 0.000 1.137 50 K HN -0.065 nan 8.250 nan 0.000 0.424 51 E N 1.451 121.661 120.200 0.017 0.000 2.048 51 E HA -0.269 4.081 4.350 0.000 0.000 0.202 51 E C 1.713 178.339 176.600 0.043 0.000 1.021 51 E CA 2.931 59.343 56.400 0.021 0.000 0.825 51 E CB -0.191 29.515 29.700 0.010 0.000 0.756 51 E HN 0.826 nan 8.360 nan 0.000 0.454 52 S N 0.402 116.124 115.700 0.036 0.000 2.441 52 S HA -0.308 4.162 4.470 0.000 0.000 0.242 52 S C 1.936 176.604 174.600 0.113 0.000 1.018 52 S CA 1.611 59.842 58.200 0.051 0.000 0.988 52 S CB -0.378 62.831 63.200 0.014 0.000 0.778 52 S HN 0.292 nan 8.310 nan 0.000 0.498 53 E N 2.200 122.459 120.200 0.098 0.000 2.153 53 E HA -0.119 4.231 4.350 0.000 0.000 0.194 53 E C 1.945 178.644 176.600 0.165 0.000 0.988 53 E CA 1.512 57.989 56.400 0.128 0.000 0.811 53 E CB -0.424 29.332 29.700 0.094 0.000 0.746 53 E HN 0.712 nan 8.360 nan 0.000 0.466 54 K N -0.642 119.832 120.400 0.124 0.000 2.032 54 K HA -0.204 4.116 4.320 0.000 0.000 0.209 54 K C 2.109 178.823 176.600 0.190 0.000 1.048 54 K CA 1.648 57.997 56.287 0.102 0.000 0.927 54 K CB -0.483 32.055 32.500 0.064 0.000 0.712 54 K HN 0.285 nan 8.250 nan 0.000 0.441 55 F N 1.042 121.028 119.950 0.061 0.000 2.134 55 F HA -0.163 4.364 4.527 0.000 0.000 0.299 55 F C 2.081 177.933 175.800 0.086 0.000 1.097 55 F CA 1.519 59.556 58.000 0.062 0.000 1.264 55 F CB -0.283 38.738 39.000 0.036 0.000 1.001 55 F HN 0.136 nan 8.300 nan 0.000 0.479 56 A N 0.156 123.217 122.820 0.402 0.000 1.908 56 A HA -0.250 4.070 4.320 0.000 0.000 0.218 56 A C 2.079 179.762 177.584 0.166 0.000 1.181 56 A CA 1.786 53.985 52.037 0.270 0.000 0.627 56 A CB -1.565 17.559 19.000 0.207 0.000 0.818 56 A HN 0.566 nan 8.150 nan 0.000 0.445 57 F N 0.477 120.449 119.950 0.036 0.000 2.075 57 F HA -0.112 4.415 4.527 0.000 0.000 0.297 57 F C 1.973 177.750 175.800 -0.038 0.000 1.113 57 F CA 1.739 59.742 58.000 0.004 0.000 1.218 57 F CB -0.408 38.599 39.000 0.012 0.000 0.984 57 F HN 0.136 nan 8.300 nan 0.000 0.472 58 L N -0.355 121.047 121.223 0.297 0.000 2.042 58 L HA -0.233 4.107 4.340 0.000 0.000 0.210 58 L C 2.445 179.258 176.870 -0.095 0.000 1.076 58 L CA 1.115 56.013 54.840 0.096 0.000 0.749 58 L CB -0.866 41.177 42.059 -0.027 0.000 0.893 58 L HN 0.286 nan 8.230 nan 0.000 0.432 59 L N -0.254 120.847 121.223 -0.204 0.000 2.083 59 L HA -0.213 4.127 4.340 0.000 0.000 0.209 59 L C 2.032 178.840 176.870 -0.104 0.000 1.083 59 L CA 1.869 56.585 54.840 -0.207 0.000 0.752 59 L CB -0.613 41.317 42.059 -0.216 0.000 0.899 59 L HN 0.210 nan 8.230 nan 0.000 0.433 60 D N -1.007 119.332 120.400 -0.102 0.000 2.183 60 D HA -0.097 4.543 4.640 0.000 0.000 0.203 60 D C 2.226 178.440 176.300 -0.144 0.000 0.969 60 D CA 0.523 54.453 54.000 -0.116 0.000 0.842 60 D CB -0.023 40.688 40.800 -0.148 0.000 0.957 60 D HN 0.247 nan 8.370 nan 0.000 0.484 61 R N 0.498 120.888 120.500 -0.183 0.000 2.075 61 R HA 0.005 4.345 4.340 0.000 0.000 0.232 61 R C 2.550 178.815 176.300 -0.058 0.000 1.126 61 R CA 0.274 56.288 56.100 -0.144 0.000 0.963 61 R CB -0.869 29.372 30.300 -0.099 0.000 0.858 61 R HN 0.287 nan 8.270 nan 0.000 0.435 62 L N 0.808 122.004 121.223 -0.046 0.000 2.017 62 L HA -0.206 4.134 4.340 0.000 0.000 0.208 62 L C 2.456 179.319 176.870 -0.011 0.000 1.073 62 L CA 1.631 56.459 54.840 -0.021 0.000 0.745 62 L CB -0.355 41.681 42.059 -0.038 0.000 0.894 62 L HN 0.141 nan 8.230 nan 0.000 0.432 63 K N -0.204 120.184 120.400 -0.021 0.000 2.026 63 K HA -0.235 4.085 4.320 0.000 0.000 0.208 63 K C 1.969 178.570 176.600 0.002 0.000 1.048 63 K CA 1.426 57.714 56.287 0.003 0.000 0.929 63 K CB -0.231 32.269 32.500 -0.000 0.000 0.713 63 K HN 0.260 nan 8.250 nan 0.000 0.439 64 E N 1.123 121.309 120.200 -0.023 0.000 2.463 64 E HA -0.139 4.211 4.350 0.000 0.000 0.201 64 E C 0.188 176.785 176.600 -0.006 0.000 1.045 64 E CA 0.638 57.025 56.400 -0.021 0.000 0.872 64 E CB 0.302 29.973 29.700 -0.048 0.000 0.797 64 E HN 0.262 nan 8.360 nan 0.000 0.538 78 R N 0.794 121.523 120.500 0.382 0.000 2.604 78 R HA 0.872 5.212 4.340 0.000 0.000 0.287 78 R C -0.731 175.950 176.300 0.635 0.000 0.970 78 R CA -0.314 56.073 56.100 0.478 0.000 0.946 78 R CB 1.654 32.224 30.300 0.451 0.000 1.127 78 R HN 0.092 nan 8.270 nan 0.000 0.473 79 F N -1.648 118.551 119.950 0.415 0.000 2.715 79 F HA 0.562 5.090 4.527 0.000 0.000 0.318 79 F C -1.120 174.880 175.800 0.334 0.000 1.141 79 F CA -1.254 56.878 58.000 0.220 0.000 0.950 79 F CB 1.604 40.640 39.000 0.060 0.000 1.374 79 F HN 0.352 nan 8.300 nan 0.000 0.477 80 E N 0.878 121.224 120.200 0.244 0.000 2.246 80 E HA 0.521 4.871 4.350 0.000 0.000 0.266 80 E C -1.188 175.467 176.600 0.090 0.000 0.880 80 E CA -0.655 55.737 56.400 -0.013 0.000 0.762 80 E CB 2.244 31.868 29.700 -0.127 0.000 1.180 80 E HN 0.926 nan 8.360 nan 0.000 0.416 81 T N 0.736 115.348 114.554 0.096 0.000 2.864 81 T HA 0.363 4.713 4.350 0.000 0.000 0.276 81 T C 1.066 175.770 174.700 0.006 0.000 1.006 81 T CA -0.594 61.602 62.100 0.160 0.000 0.970 81 T CB 0.877 69.955 68.868 0.351 0.000 1.420 81 T HN 0.407 nan 8.240 nan 0.000 0.601 82 K N 0.134 120.545 120.400 0.019 0.000 2.147 82 K HA 0.013 4.333 4.320 0.000 0.000 0.205 82 K C 1.995 178.517 176.600 -0.131 0.000 1.049 82 K CA 1.239 57.497 56.287 -0.048 0.000 0.936 82 K CB -0.050 32.435 32.500 -0.025 0.000 0.722 82 K HN 0.452 nan 8.250 nan 0.000 0.446 83 K N -1.379 118.906 120.400 -0.191 0.000 2.391 83 K HA 0.130 4.450 4.320 0.000 0.000 0.197 83 K C -0.391 175.824 176.600 -0.641 0.000 1.087 83 K CA 0.121 56.140 56.287 -0.446 0.000 1.012 83 K CB 0.710 32.824 32.500 -0.643 0.000 0.925 83 K HN -0.051 nan 8.250 nan 0.000 0.547 84 Y N -1.380 118.769 120.300 -0.252 0.000 2.677 84 Y HA 0.407 4.957 4.550 0.000 0.000 0.334 84 Y C -0.649 174.887 175.900 -0.606 0.000 1.154 84 Y CA -1.418 56.401 58.100 -0.468 0.000 1.070 84 Y CB 0.998 38.912 38.460 -0.910 0.000 1.294 84 Y HN -0.280 nan 8.280 nan 0.000 0.475 85 F N 1.012 120.811 119.950 -0.252 0.000 2.480 85 F HA 0.658 5.185 4.527 0.000 0.000 0.329 85 F C -0.995 174.422 175.800 -0.637 0.000 1.091 85 F CA -0.880 57.004 58.000 -0.194 0.000 0.972 85 F CB 1.119 40.147 39.000 0.046 0.000 1.150 85 F HN 0.163 nan 8.300 nan 0.000 0.467 86 F N 0.219 119.951 119.950 -0.364 0.000 2.576 86 F HA 0.601 5.128 4.527 0.000 0.000 0.313 86 F C -0.236 175.370 175.800 -0.324 0.000 1.078 86 F CA -0.762 56.860 58.000 -0.630 0.000 0.921 86 F CB 2.485 40.845 39.000 -1.067 0.000 1.232 86 F HN 0.160 nan 8.300 nan 0.000 0.459 87 T N 3.275 117.881 114.554 0.087 0.000 2.848 87 T HA 0.546 4.896 4.350 0.000 0.000 0.285 87 T C -0.516 174.321 174.700 0.229 0.000 0.995 87 T CA -0.415 61.842 62.100 0.262 0.000 0.970 87 T CB 1.178 70.266 68.868 0.366 0.000 0.976 87 T HN 0.263 nan 8.240 nan 0.000 0.441 88 I N 4.307 125.029 120.570 0.254 0.000 2.322 88 I HA 0.235 4.405 4.170 0.000 0.000 0.292 88 I C 1.543 177.735 176.117 0.125 0.000 1.060 88 I CA -0.157 61.257 61.300 0.189 0.000 1.309 88 I CB 0.631 38.736 38.000 0.175 0.000 1.415 88 I HN 0.706 nan 8.210 nan 0.000 0.492 89 I N 1.131 121.766 120.570 0.109 0.000 3.603 89 I HA 0.388 4.558 4.170 0.000 0.000 0.297 89 I C 0.055 176.198 176.117 0.044 0.000 1.269 89 I CA 0.515 61.863 61.300 0.081 0.000 1.361 89 I CB 0.172 38.228 38.000 0.093 0.000 1.063 89 I HN 0.435 nan 8.210 nan 0.000 0.448 90 D N 0.265 120.688 120.400 0.038 0.000 2.926 90 D HA 0.692 5.332 4.640 0.000 0.000 0.282 90 D C -1.867 174.438 176.300 0.009 0.000 1.201 90 D CA 0.117 54.132 54.000 0.026 0.000 0.735 90 D CB 1.888 42.808 40.800 0.200 0.000 1.257 90 D HN 0.279 nan 8.370 nan 0.000 0.428 91 A N 0.983 123.739 122.820 -0.107 0.000 2.604 91 A HA 0.773 5.093 4.320 0.000 0.000 0.295 91 A C -2.939 174.182 177.584 -0.770 0.000 1.067 91 A CA -1.207 50.641 52.037 -0.314 0.000 0.683 91 A CB 1.831 20.780 19.000 -0.085 0.000 1.281 91 A HN 0.276 nan 8.150 nan 0.000 0.407 92 P HA 0.417 nan 4.420 nan 0.000 0.271 92 P C 1.017 178.087 177.300 -0.383 0.000 1.218 92 P CA 1.857 64.255 63.100 -1.169 0.000 0.780 92 P CB 0.888 32.095 31.700 -0.821 0.000 0.901 93 G N 0.025 108.695 108.800 -0.217 0.000 2.218 93 G HA2 -0.155 3.805 3.960 0.000 0.000 0.216 93 G HA3 -0.155 3.805 3.960 0.000 0.000 0.216 93 G C 0.094 174.839 174.900 -0.257 0.000 0.994 93 G CA -0.372 44.603 45.100 -0.208 0.000 0.637 93 G HN 0.642 nan 8.290 nan 0.000 0.505 94 H N 1.133 120.175 119.070 -0.047 0.000 2.483 94 H HA 0.440 4.996 4.556 0.000 0.000 0.338 94 H C 1.050 176.422 175.328 0.074 0.000 1.152 94 H CA -0.111 55.947 56.048 0.017 0.000 1.264 94 H CB 0.980 30.761 29.762 0.032 0.000 1.510 94 H HN 0.617 nan 8.280 nan 0.000 0.530 95 R N 1.071 121.665 120.500 0.157 0.000 2.643 95 R HA -0.019 4.321 4.340 0.000 0.000 0.270 95 R C -0.651 175.738 176.300 0.148 0.000 1.061 95 R CA -0.184 55.987 56.100 0.120 0.000 1.107 95 R CB 0.292 30.639 30.300 0.078 0.000 0.999 95 R HN 0.616 nan 8.270 nan 0.000 0.460 96 D N 0.143 120.614 120.400 0.119 0.000 2.946 96 D HA -0.242 4.398 4.640 0.000 0.000 0.202 96 D C 0.337 176.697 176.300 0.099 0.000 1.068 96 D CA 1.324 55.377 54.000 0.088 0.000 1.011 96 D CB -1.118 39.721 40.800 0.065 0.000 1.105 96 D HN 0.654 nan 8.370 nan 0.000 0.425 97 F N 1.418 121.391 119.950 0.037 0.000 2.043 97 F HA -0.271 4.256 4.527 0.000 0.000 0.297 97 F C 2.148 177.948 175.800 0.001 0.000 1.121 97 F CA 2.269 60.283 58.000 0.024 0.000 1.199 97 F CB -0.549 38.471 39.000 0.032 0.000 0.968 97 F HN 0.027 nan 8.300 nan 0.000 0.478 98 V N 0.993 120.790 119.914 -0.196 0.000 2.307 98 V HA -0.306 3.814 4.120 0.000 0.000 0.245 98 V C 2.502 178.455 176.094 -0.236 0.000 1.045 98 V CA 2.266 64.384 62.300 -0.303 0.000 1.024 98 V CB -0.933 30.854 31.823 -0.060 0.000 0.651 98 V HN 0.397 nan 8.190 nan 0.000 0.449 99 K N 0.503 120.831 120.400 -0.119 0.000 2.044 99 K HA -0.267 4.053 4.320 0.000 0.000 0.210 99 K C 1.965 178.489 176.600 -0.127 0.000 1.049 99 K CA 2.174 58.406 56.287 -0.092 0.000 0.927 99 K CB -0.260 32.220 32.500 -0.034 0.000 0.713 99 K HN 0.419 nan 8.250 nan 0.000 0.443 100 N N 0.204 118.823 118.700 -0.136 0.000 2.289 100 N HA -0.116 4.624 4.740 0.000 0.000 0.184 100 N C 1.639 177.044 175.510 -0.175 0.000 1.016 100 N CA 1.156 54.133 53.050 -0.122 0.000 0.872 100 N CB -0.103 38.340 38.487 -0.073 0.000 0.973 100 N HN 0.282 nan 8.380 nan 0.000 0.433 101 M N 0.239 119.665 119.600 -0.290 0.000 2.156 101 M HA 0.044 4.524 4.480 0.000 0.000 0.264 101 M C 2.105 178.257 176.300 -0.248 0.000 1.067 101 M CA 0.798 55.925 55.300 -0.288 0.000 1.131 101 M CB -0.796 31.549 32.600 -0.425 0.000 1.368 101 M HN 0.076 nan 8.290 nan 0.000 0.416 102 I N 0.314 120.741 120.570 -0.239 0.000 2.202 102 I HA -0.277 3.893 4.170 0.000 0.000 0.242 102 I C 2.412 178.392 176.117 -0.227 0.000 1.091 102 I CA 1.875 63.029 61.300 -0.243 0.000 1.368 102 I CB -0.613 37.275 38.000 -0.187 0.000 1.058 102 I HN 0.382 nan 8.210 nan 0.000 0.410 103 T N -2.002 112.457 114.554 -0.159 0.000 2.995 103 T HA 0.094 4.444 4.350 0.000 0.000 0.269 103 T C 1.648 176.294 174.700 -0.090 0.000 1.091 103 T CA 0.818 62.847 62.100 -0.117 0.000 1.128 103 T CB 0.119 68.942 68.868 -0.075 0.000 0.891 103 T HN 0.579 nan 8.240 nan 0.000 0.492 104 G N 0.638 109.381 108.800 -0.094 0.000 2.175 104 G HA2 -0.186 3.774 3.960 0.000 0.000 0.244 104 G HA3 -0.186 3.774 3.960 0.000 0.000 0.244 104 G C 1.199 176.086 174.900 -0.022 0.000 0.982 104 G CA 0.340 45.416 45.100 -0.040 0.000 0.641 104 G HN 1.099 nan 8.290 nan 0.000 0.527 105 A N -0.238 122.561 122.820 -0.035 0.000 2.024 105 A HA 0.377 4.697 4.320 0.000 0.000 0.220 105 A C 1.583 179.161 177.584 -0.010 0.000 1.164 105 A CA 2.198 54.224 52.037 -0.018 0.000 0.643 105 A CB -0.095 18.892 19.000 -0.021 0.000 0.806 105 A HN 1.099 nan 8.150 nan 0.000 0.451 106 S N 0.630 116.315 115.700 -0.025 0.000 2.520 106 S HA 0.379 4.849 4.470 0.000 0.000 0.324 106 S C -0.533 174.071 174.600 0.006 0.000 1.069 106 S CA -0.460 57.738 58.200 -0.004 0.000 1.121 106 S CB 0.931 64.118 63.200 -0.022 0.000 0.971 106 S HN 0.404 nan 8.310 nan 0.000 0.463 107 Q N 2.833 122.654 119.800 0.036 0.000 2.394 107 Q HA 0.556 4.896 4.340 0.000 0.000 0.259 107 Q C -0.685 175.356 176.000 0.068 0.000 1.021 107 Q CA -0.379 55.456 55.803 0.054 0.000 0.805 107 Q CB 1.525 30.297 28.738 0.058 0.000 1.226 107 Q HN 0.777 nan 8.270 nan 0.000 0.476 108 A N 3.096 125.959 122.820 0.071 0.000 2.303 108 A HA 0.414 4.734 4.320 0.000 0.000 0.317 108 A C 0.293 177.919 177.584 0.070 0.000 1.149 108 A CA -0.381 51.703 52.037 0.078 0.000 0.822 108 A CB 0.575 19.627 19.000 0.086 0.000 1.131 108 A HN 0.682 nan 8.150 nan 0.000 0.493 109 D N 0.042 120.477 120.400 0.058 0.000 2.388 109 D HA 0.389 5.029 4.640 0.000 0.000 0.208 109 D C 0.532 176.858 176.300 0.044 0.000 1.035 109 D CA 1.464 55.486 54.000 0.036 0.000 0.875 109 D CB 0.724 41.522 40.800 -0.003 0.000 0.984 109 D HN 0.732 nan 8.370 nan 0.000 0.508 110 A N -0.017 122.840 122.820 0.061 0.000 2.564 110 A HA 0.743 5.063 4.320 0.000 0.000 0.291 110 A C -1.707 175.915 177.584 0.063 0.000 1.102 110 A CA -0.216 51.858 52.037 0.062 0.000 0.660 110 A CB 1.350 20.384 19.000 0.058 0.000 1.283 110 A HN 0.061 nan 8.150 nan 0.000 0.430 111 A N -0.212 122.637 122.820 0.049 0.000 2.556 111 A HA 0.822 5.142 4.320 0.000 0.000 0.294 111 A C -1.332 176.253 177.584 0.000 0.000 1.091 111 A CA -0.383 51.678 52.037 0.040 0.000 0.704 111 A CB 0.984 20.024 19.000 0.066 0.000 1.300 111 A HN 0.933 nan 8.150 nan 0.000 0.406 112 I N 1.735 122.302 120.570 -0.005 0.000 2.389 112 I HA 0.354 4.525 4.170 0.000 0.000 0.288 112 I C -0.703 175.406 176.117 -0.013 0.000 0.999 112 I CA -0.414 60.871 61.300 -0.026 0.000 1.129 112 I CB 1.676 39.661 38.000 -0.025 0.000 1.288 112 I HN 0.580 nan 8.210 nan 0.000 0.444 113 L N 7.766 128.973 121.223 -0.026 0.000 2.272 113 L HA 0.557 4.897 4.340 0.000 0.000 0.289 113 L C -0.963 175.928 176.870 0.036 0.000 1.032 113 L CA -0.610 54.234 54.840 0.007 0.000 0.810 113 L CB 1.524 43.571 42.059 -0.021 0.000 1.205 113 L HN 0.302 nan 8.230 nan 0.000 0.422 114 V N 6.074 126.030 119.914 0.070 0.000 2.383 114 V HA 0.297 4.417 4.120 0.000 0.000 0.275 114 V C -0.047 176.158 176.094 0.185 0.000 1.036 114 V CA -0.437 61.925 62.300 0.103 0.000 0.889 114 V CB 1.681 33.561 31.823 0.095 0.000 0.985 114 V HN 0.519 nan 8.190 nan 0.000 0.459 115 V N 4.309 124.342 119.914 0.198 0.000 2.349 115 V HA 0.295 4.415 4.120 0.000 0.000 0.284 115 V C 0.418 176.601 176.094 0.149 0.000 1.014 115 V CA -0.402 62.072 62.300 0.290 0.000 0.826 115 V CB 1.616 33.596 31.823 0.261 0.000 1.009 115 V HN 0.875 nan 8.190 nan 0.000 0.431 116 S N 3.782 119.442 115.700 -0.065 0.000 2.525 116 S HA 0.299 4.769 4.470 0.000 0.000 0.285 116 S C 1.248 175.760 174.600 -0.146 0.000 1.283 116 S CA 0.235 58.271 58.200 -0.274 0.000 1.072 116 S CB 0.968 63.759 63.200 -0.681 0.000 0.867 116 S HN 1.037 nan 8.310 nan 0.000 0.492 117 A N 4.713 127.478 122.820 -0.091 0.000 2.307 117 A HA 0.222 4.542 4.320 0.000 0.000 0.218 117 A C 0.868 178.407 177.584 -0.076 0.000 1.228 117 A CA -0.123 51.870 52.037 -0.075 0.000 0.857 117 A CB -0.161 18.811 19.000 -0.047 0.000 0.897 117 A HN 0.792 nan 8.150 nan 0.000 0.495 118 K N 0.930 121.270 120.400 -0.100 0.000 2.326 118 K HA 0.152 4.472 4.320 0.000 0.000 0.275 118 K C -0.497 176.073 176.600 -0.051 0.000 1.018 118 K CA -0.399 55.838 56.287 -0.083 0.000 0.962 118 K CB 0.344 32.786 32.500 -0.097 0.000 0.953 118 K HN -0.039 nan 8.250 nan 0.000 0.475 119 K N 1.838 122.217 120.400 -0.035 0.000 2.484 119 K HA 0.031 4.351 4.320 0.000 0.000 0.280 119 K C 0.914 177.502 176.600 -0.020 0.000 1.013 119 K CA 1.524 57.802 56.287 -0.015 0.000 1.029 119 K CB 0.334 32.824 32.500 -0.016 0.000 0.902 119 K HN 0.863 nan 8.250 nan 0.000 0.481 120 G N 2.417 111.211 108.800 -0.010 0.000 2.363 120 G HA2 -0.373 3.588 3.960 0.000 0.000 0.238 120 G HA3 -0.373 3.588 3.960 0.000 0.000 0.238 120 G C 1.221 176.088 174.900 -0.056 0.000 1.062 120 G CA 0.506 45.588 45.100 -0.031 0.000 0.629 120 G HN 0.620 nan 8.290 nan 0.000 0.514 121 E N -0.808 119.354 120.200 -0.064 0.000 2.051 121 E HA 0.047 4.397 4.350 0.000 0.000 0.189 121 E C 1.986 178.503 176.600 -0.139 0.000 0.979 121 E CA 1.068 57.398 56.400 -0.116 0.000 0.803 121 E CB -0.144 29.432 29.700 -0.207 0.000 0.761 121 E HN 0.626 nan 8.360 nan 0.000 0.451 122 Y N 2.047 122.230 120.300 -0.195 0.000 2.145 122 Y HA -0.237 4.314 4.550 0.000 0.000 0.286 122 Y C 1.788 177.642 175.900 -0.078 0.000 1.145 122 Y CA 1.950 59.979 58.100 -0.120 0.000 1.148 122 Y CB -0.205 38.195 38.460 -0.100 0.000 0.981 122 Y HN -0.024 nan 8.280 nan 0.000 0.507 123 E N 0.603 120.627 120.200 -0.293 0.000 2.085 123 E HA -0.190 4.160 4.350 0.000 0.000 0.194 123 E C 2.390 178.787 176.600 -0.338 0.000 0.994 123 E CA 1.647 57.842 56.400 -0.342 0.000 0.801 123 E CB -0.737 28.889 29.700 -0.124 0.000 0.743 123 E HN 0.561 nan 8.360 nan 0.000 0.453 124 A N 0.282 122.939 122.820 -0.272 0.000 2.015 124 A HA -0.019 4.302 4.320 0.000 0.000 0.219 124 A C 2.340 179.618 177.584 -0.510 0.000 1.163 124 A CA 1.663 53.513 52.037 -0.312 0.000 0.646 124 A CB -0.869 17.975 19.000 -0.260 0.000 0.806 124 A HN 0.344 nan 8.150 nan 0.000 0.448 125 G N -1.593 106.889 108.800 -0.529 0.000 2.411 125 G HA2 0.011 3.971 3.960 0.000 0.000 0.213 125 G HA3 0.011 3.971 3.960 0.000 0.000 0.213 125 G C 1.213 175.872 174.900 -0.401 0.000 1.166 125 G CA 0.618 45.397 45.100 -0.535 0.000 0.802 125 G HN 0.321 nan 8.290 nan 0.000 0.533 126 M N 1.698 120.997 119.600 -0.503 0.000 2.628 126 M HA 0.241 4.721 4.480 0.000 0.000 0.232 126 M C 1.437 177.511 176.300 -0.377 0.000 1.128 126 M CA -0.450 54.545 55.300 -0.508 0.000 1.040 126 M CB -0.605 31.578 32.600 -0.694 0.000 1.608 126 M HN 0.221 nan 8.290 nan 0.000 0.507 127 S N -0.384 115.128 115.700 -0.313 0.000 2.617 127 S HA 0.149 4.619 4.470 0.000 0.000 0.255 127 S C 1.345 175.848 174.600 -0.162 0.000 1.318 127 S CA -0.332 57.743 58.200 -0.207 0.000 0.978 127 S CB 1.198 64.290 63.200 -0.180 0.000 0.961 127 S HN 0.159 nan 8.310 nan 0.000 0.582 128 V N 1.226 121.081 119.914 -0.098 0.000 2.951 128 V HA 0.097 4.217 4.120 0.000 0.000 0.255 128 V C 0.962 177.021 176.094 -0.060 0.000 1.088 128 V CA 1.729 63.993 62.300 -0.059 0.000 1.109 128 V CB -0.656 31.155 31.823 -0.020 0.000 0.724 128 V HN 0.870 nan 8.190 nan 0.000 0.471 129 E N 0.214 120.374 120.200 -0.067 0.000 2.499 129 E HA 0.318 4.668 4.350 0.000 0.000 0.199 129 E C 0.531 177.101 176.600 -0.050 0.000 1.016 129 E CA 0.232 56.603 56.400 -0.049 0.000 0.933 129 E CB 0.496 30.176 29.700 -0.034 0.000 1.050 129 E HN 0.447 nan 8.360 nan 0.000 0.462 130 G N 0.823 109.563 108.800 -0.100 0.000 2.368 130 G HA2 0.122 4.082 3.960 0.000 0.000 0.320 130 G HA3 0.122 4.082 3.960 0.000 0.000 0.320 130 G C 0.468 175.298 174.900 -0.116 0.000 1.158 130 G CA -0.569 44.467 45.100 -0.107 0.000 0.912 130 G HN -0.122 nan 8.290 nan 0.000 0.456 131 Q N 1.630 121.431 119.800 0.003 0.000 2.308 131 Q HA -0.123 4.217 4.340 0.000 0.000 0.209 131 Q C 2.346 178.035 176.000 -0.518 0.000 0.985 131 Q CA 1.525 57.136 55.803 -0.320 0.000 0.881 131 Q CB -0.497 27.943 28.738 -0.496 0.000 0.917 131 Q HN 0.644 nan 8.270 nan 0.000 0.443 132 T N 1.967 116.326 114.554 -0.325 0.000 2.595 132 T HA -0.195 4.155 4.350 0.000 0.000 0.264 132 T C 1.818 176.344 174.700 -0.291 0.000 1.058 132 T CA 1.845 63.773 62.100 -0.286 0.000 1.166 132 T CB -0.285 68.448 68.868 -0.224 0.000 0.863 132 T HN 0.530 nan 8.240 nan 0.000 0.415 133 R N 1.479 121.712 120.500 -0.446 0.000 2.127 133 R HA -0.067 4.273 4.340 0.000 0.000 0.238 133 R C 2.209 178.379 176.300 -0.216 0.000 1.134 133 R CA 1.565 57.272 56.100 -0.655 0.000 0.975 133 R CB -0.468 29.101 30.300 -1.218 0.000 0.865 133 R HN 0.363 nan 8.270 nan 0.000 0.447 134 E N 0.797 120.897 120.200 -0.165 0.000 2.208 134 E HA -0.177 4.173 4.350 0.000 0.000 0.193 134 E C 1.130 177.831 176.600 0.169 0.000 0.988 134 E CA 0.998 57.395 56.400 -0.006 0.000 0.828 134 E CB -0.056 29.615 29.700 -0.048 0.000 0.763 134 E HN 0.525 nan 8.360 nan 0.000 0.478 135 H N 0.293 119.377 119.070 0.023 0.000 2.448 135 H HA 0.115 4.671 4.556 0.000 0.000 0.292 135 H C 2.190 177.578 175.328 0.101 0.000 1.035 135 H CA 0.676 56.765 56.048 0.069 0.000 1.349 135 H CB -0.104 29.672 29.762 0.024 0.000 1.425 135 H HN 0.193 nan 8.280 nan 0.000 0.539 136 I N 0.106 120.796 120.570 0.200 0.000 2.286 136 I HA -0.219 3.951 4.170 0.000 0.000 0.248 136 I C 1.898 178.222 176.117 0.345 0.000 1.115 136 I CA 1.211 62.633 61.300 0.204 0.000 1.392 136 I CB -0.137 37.989 38.000 0.210 0.000 1.065 136 I HN 0.143 nan 8.210 nan 0.000 0.418 137 I N 0.174 120.929 120.570 0.310 0.000 2.500 137 I HA -0.235 3.935 4.170 0.000 0.000 0.252 137 I C 2.451 178.717 176.117 0.249 0.000 1.142 137 I CA 0.804 62.282 61.300 0.297 0.000 1.451 137 I CB -0.065 38.079 38.000 0.240 0.000 1.093 137 I HN 0.227 nan 8.210 nan 0.000 0.430 138 L N 0.905 122.267 121.223 0.233 0.000 2.046 138 L HA -0.213 4.127 4.340 0.000 0.000 0.208 138 L C 2.745 179.732 176.870 0.195 0.000 1.077 138 L CA 1.756 56.708 54.840 0.187 0.000 0.747 138 L CB -0.303 41.873 42.059 0.194 0.000 0.896 138 L HN 0.224 nan 8.230 nan 0.000 0.432 139 A N 0.278 123.250 122.820 0.253 0.000 1.883 139 A HA -0.322 3.998 4.320 0.000 0.000 0.217 139 A C 2.275 180.041 177.584 0.303 0.000 1.186 139 A CA 2.273 54.488 52.037 0.296 0.000 0.624 139 A CB -0.674 18.547 19.000 0.367 0.000 0.822 139 A HN 0.486 nan 8.150 nan 0.000 0.444 140 K N -0.482 120.130 120.400 0.353 0.000 2.032 140 K HA -0.114 4.206 4.320 0.000 0.000 0.209 140 K C 1.887 178.531 176.600 0.072 0.000 1.048 140 K CA 2.378 58.712 56.287 0.079 0.000 0.927 140 K CB -0.977 31.599 32.500 0.128 0.000 0.712 140 K HN 0.383 nan 8.250 nan 0.000 0.441 141 T N 0.874 115.508 114.554 0.132 0.000 2.881 141 T HA -0.089 4.261 4.350 0.000 0.000 0.270 141 T C 1.114 175.912 174.700 0.163 0.000 1.068 141 T CA 1.342 63.520 62.100 0.129 0.000 1.131 141 T CB -0.088 68.850 68.868 0.117 0.000 0.871 141 T HN 0.163 nan 8.240 nan 0.000 0.479 142 M N 0.086 119.780 119.600 0.156 0.000 2.431 142 M HA 0.339 4.819 4.480 0.000 0.000 0.237 142 M C 1.725 178.146 176.300 0.201 0.000 1.130 142 M CA 0.005 55.434 55.300 0.216 0.000 1.002 142 M CB -0.930 31.748 32.600 0.131 0.000 1.524 142 M HN 0.369 nan 8.290 nan 0.000 0.482 143 G N 1.701 110.562 108.800 0.102 0.000 2.179 143 G HA2 -0.246 3.714 3.960 0.000 0.000 0.257 143 G HA3 -0.246 3.714 3.960 0.000 0.000 0.257 143 G C 0.191 175.105 174.900 0.023 0.000 1.010 143 G CA -0.069 45.035 45.100 0.007 0.000 0.736 143 G HN 0.495 nan 8.290 nan 0.000 0.513 144 L N 0.838 122.113 121.223 0.088 0.000 2.391 144 L HA 0.197 4.537 4.340 0.000 0.000 0.249 144 L C 1.745 178.733 176.870 0.196 0.000 1.308 144 L CA -0.063 54.855 54.840 0.130 0.000 1.209 144 L CB 0.386 42.541 42.059 0.161 0.000 1.401 144 L HN 0.227 nan 8.230 nan 0.000 0.416 145 D N 1.332 121.793 120.400 0.102 0.000 2.123 145 D HA -0.187 4.454 4.640 0.000 0.000 0.196 145 D C 0.778 177.186 176.300 0.181 0.000 0.992 145 D CA 1.418 55.482 54.000 0.107 0.000 0.833 145 D CB 0.327 41.134 40.800 0.011 0.000 0.954 145 D HN 0.432 nan 8.370 nan 0.000 0.455 146 Q N 0.011 119.877 119.800 0.110 0.000 2.369 146 Q HA 0.330 4.670 4.340 0.000 0.000 0.247 146 Q C -0.945 175.086 176.000 0.052 0.000 1.083 146 Q CA -0.320 55.525 55.803 0.070 0.000 0.905 146 Q CB 1.162 29.932 28.738 0.053 0.000 1.305 146 Q HN 0.218 nan 8.270 nan 0.000 0.465 147 L N 4.057 125.281 121.223 0.001 0.000 2.381 147 L HA 0.524 4.864 4.340 0.000 0.000 0.274 147 L C -1.374 175.376 176.870 -0.200 0.000 0.988 147 L CA -0.419 54.376 54.840 -0.076 0.000 0.824 147 L CB 1.465 43.455 42.059 -0.115 0.000 1.263 147 L HN 0.488 nan 8.230 nan 0.000 0.410 148 I N 5.671 126.138 120.570 -0.172 0.000 2.321 148 I HA 0.361 4.531 4.170 0.000 0.000 0.291 148 I C -0.626 175.367 176.117 -0.206 0.000 0.998 148 I CA -0.792 60.373 61.300 -0.224 0.000 1.227 148 I CB 1.730 39.663 38.000 -0.111 0.000 1.368 148 I HN 0.262 nan 8.210 nan 0.000 0.466 149 V N 6.456 126.180 119.914 -0.316 0.000 2.348 149 V HA 0.424 4.544 4.120 0.000 0.000 0.270 149 V C 0.564 176.652 176.094 -0.009 0.000 1.037 149 V CA -0.565 61.616 62.300 -0.198 0.000 0.872 149 V CB 1.135 32.740 31.823 -0.362 0.000 1.002 149 V HN 0.811 nan 8.190 nan 0.000 0.464 150 A N 5.517 128.355 122.820 0.030 0.000 2.316 150 A HA 0.606 4.926 4.320 0.000 0.000 0.311 150 A C -0.212 177.435 177.584 0.105 0.000 1.339 150 A CA -0.351 51.722 52.037 0.061 0.000 0.960 150 A CB 0.426 19.438 19.000 0.021 0.000 1.152 150 A HN 0.641 nan 8.150 nan 0.000 0.547 151 V N 4.745 124.763 119.914 0.173 0.000 2.372 151 V HA 0.076 4.196 4.120 0.000 0.000 0.261 151 V C 0.576 176.717 176.094 0.078 0.000 1.055 151 V CA -0.316 62.093 62.300 0.182 0.000 0.930 151 V CB 0.082 32.120 31.823 0.359 0.000 1.031 151 V HN 0.934 nan 8.190 nan 0.000 0.479 152 N N 3.354 122.074 118.700 0.034 0.000 2.405 152 N HA 0.269 5.009 4.740 0.000 0.000 0.269 152 N C 0.397 175.866 175.510 -0.069 0.000 1.249 152 N CA -0.446 52.590 53.050 -0.023 0.000 0.974 152 N CB 0.357 38.842 38.487 -0.004 0.000 1.204 152 N HN 0.558 nan 8.380 nan 0.000 0.565 153 K N 0.063 120.404 120.400 -0.099 0.000 3.071 153 K HA -0.195 4.125 4.320 0.000 0.000 0.262 153 K C 0.536 177.018 176.600 -0.196 0.000 0.977 153 K CA 0.193 56.396 56.287 -0.140 0.000 0.721 153 K CB -0.849 31.579 32.500 -0.119 0.000 1.293 153 K HN 0.484 nan 8.250 nan 0.000 0.475 154 M N 0.471 119.930 119.600 -0.236 0.000 2.374 154 M HA -0.127 4.353 4.480 0.000 0.000 0.264 154 M C 1.656 177.534 176.300 -0.703 0.000 1.067 154 M CA 1.712 56.822 55.300 -0.316 0.000 1.103 154 M CB -0.583 31.877 32.600 -0.233 0.000 1.402 154 M HN 0.359 nan 8.290 nan 0.000 0.444 155 D N -0.279 119.610 120.400 -0.850 0.000 2.348 155 D HA -0.109 4.531 4.640 0.000 0.000 0.216 155 D C 1.461 177.512 176.300 -0.416 0.000 0.970 155 D CA 0.651 54.036 54.000 -1.024 0.000 0.889 155 D CB -0.303 40.225 40.800 -0.455 0.000 0.912 155 D HN 0.371 nan 8.370 nan 0.000 0.524 156 L N 1.162 122.212 121.223 -0.288 0.000 2.769 156 L HA 0.149 4.489 4.340 0.000 0.000 0.240 156 L C 0.794 177.594 176.870 -0.117 0.000 1.163 156 L CA -0.201 54.545 54.840 -0.155 0.000 0.962 156 L CB 0.181 42.168 42.059 -0.120 0.000 1.258 156 L HN -0.014 nan 8.230 nan 0.000 0.513 157 T N -2.916 111.559 114.554 -0.131 0.000 2.849 157 T HA 0.285 4.635 4.350 0.000 0.000 0.284 157 T C 0.072 174.751 174.700 -0.035 0.000 1.004 157 T CA -0.592 61.466 62.100 -0.070 0.000 1.021 157 T CB 1.581 70.420 68.868 -0.049 0.000 1.013 157 T HN 0.083 nan 8.240 nan 0.000 0.527 158 E N 2.680 122.868 120.200 -0.019 0.000 2.063 158 E HA 0.306 4.656 4.350 0.000 0.000 0.265 158 E C -2.124 174.478 176.600 0.003 0.000 0.919 158 E CA -1.891 54.506 56.400 -0.005 0.000 0.756 158 E CB 1.021 30.715 29.700 -0.010 0.000 1.120 158 E HN 0.572 nan 8.360 nan 0.000 0.414 159 P HA 0.253 nan 4.420 nan 0.000 0.276 159 P C -2.686 174.659 177.300 0.074 0.000 1.252 159 P CA -1.894 61.234 63.100 0.046 0.000 0.802 159 P CB 0.334 32.068 31.700 0.057 0.000 1.035 160 P HA -0.097 nan 4.420 nan 0.000 0.264 160 P C -0.569 176.919 177.300 0.313 0.000 1.179 160 P CA 0.799 63.974 63.100 0.125 0.000 0.763 160 P CB -0.473 31.377 31.700 0.249 0.000 0.806 161 Y N -0.851 119.503 120.300 0.091 0.000 3.305 161 Y HA -0.262 4.288 4.550 0.000 0.000 0.212 161 Y C 0.644 176.760 175.900 0.360 0.000 1.248 161 Y CA 0.438 58.646 58.100 0.180 0.000 1.359 161 Y CB -2.660 35.859 38.460 0.098 0.000 1.407 161 Y HN 0.353 nan 8.280 nan 0.000 0.572 162 D N 1.297 121.864 120.400 0.278 0.000 2.346 162 D HA 0.049 4.689 4.640 0.000 0.000 0.260 162 D C 1.236 177.546 176.300 0.017 0.000 1.252 162 D CA 0.422 54.502 54.000 0.133 0.000 0.895 162 D CB 0.702 41.528 40.800 0.042 0.000 1.097 162 D HN 0.607 nan 8.370 nan 0.000 0.489 163 E N 3.634 123.608 120.200 -0.377 0.000 2.268 163 E HA -0.207 4.143 4.350 0.000 0.000 0.195 163 E C 1.328 177.658 176.600 -0.449 0.000 0.995 163 E CA 0.599 56.384 56.400 -1.026 0.000 0.836 163 E CB 0.288 28.797 29.700 -1.984 0.000 0.763 163 E HN 0.230 nan 8.360 nan 0.000 0.491 164 K N 1.070 121.307 120.400 -0.272 0.000 2.116 164 K HA -0.116 4.205 4.320 0.000 0.000 0.203 164 K C 2.164 178.682 176.600 -0.137 0.000 1.052 164 K CA 0.900 57.078 56.287 -0.183 0.000 0.952 164 K CB -0.102 32.315 32.500 -0.140 0.000 0.729 164 K HN 0.008 nan 8.250 nan 0.000 0.446 165 R N 0.104 120.546 120.500 -0.098 0.000 2.081 165 R HA -0.165 4.175 4.340 0.000 0.000 0.235 165 R C 2.216 178.455 176.300 -0.102 0.000 1.131 165 R CA 1.564 57.607 56.100 -0.095 0.000 0.960 165 R CB -1.098 29.168 30.300 -0.057 0.000 0.856 165 R HN 0.263 nan 8.270 nan 0.000 0.436 166 Y N 0.948 121.159 120.300 -0.150 0.000 2.114 166 Y HA -0.111 4.439 4.550 0.000 0.000 0.284 166 Y C 1.841 177.651 175.900 -0.151 0.000 1.143 166 Y CA 2.037 60.075 58.100 -0.103 0.000 1.135 166 Y CB -0.256 38.239 38.460 0.057 0.000 0.980 166 Y HN 0.035 nan 8.280 nan 0.000 0.499 167 K N 0.168 120.399 120.400 -0.281 0.000 2.211 167 K HA -0.238 4.082 4.320 0.000 0.000 0.204 167 K C 2.180 178.574 176.600 -0.343 0.000 1.047 167 K CA 1.545 57.616 56.287 -0.361 0.000 0.935 167 K CB -0.148 32.231 32.500 -0.201 0.000 0.728 167 K HN 0.590 nan 8.250 nan 0.000 0.452 168 E N 0.942 120.973 120.200 -0.282 0.000 2.028 168 E HA -0.180 4.170 4.350 0.000 0.000 0.190 168 E C 1.902 178.309 176.600 -0.323 0.000 0.984 168 E CA 1.018 57.272 56.400 -0.244 0.000 0.800 168 E CB -0.050 29.534 29.700 -0.193 0.000 0.758 168 E HN 0.229 nan 8.360 nan 0.000 0.448 169 I N 0.887 121.178 120.570 -0.464 0.000 2.226 169 I HA -0.256 3.914 4.170 0.000 0.000 0.245 169 I C 2.488 178.359 176.117 -0.410 0.000 1.100 169 I CA 0.724 61.657 61.300 -0.612 0.000 1.374 169 I CB -0.180 37.403 38.000 -0.695 0.000 1.057 169 I HN 0.089 nan 8.210 nan 0.000 0.413 170 V N 1.109 120.677 119.914 -0.576 0.000 2.255 170 V HA -0.380 3.740 4.120 0.000 0.000 0.247 170 V C 2.259 177.993 176.094 -0.600 0.000 1.051 170 V CA 2.558 64.358 62.300 -0.833 0.000 1.018 170 V CB -0.699 30.488 31.823 -1.060 0.000 0.641 170 V HN 0.536 nan 8.190 nan 0.000 0.445 171 D N -0.540 119.616 120.400 -0.406 0.000 2.103 171 D HA -0.262 4.378 4.640 0.000 0.000 0.190 171 D C 2.205 178.444 176.300 -0.101 0.000 0.997 171 D CA 2.008 55.871 54.000 -0.227 0.000 0.833 171 D CB -0.162 40.535 40.800 -0.172 0.000 0.961 171 D HN 0.536 nan 8.370 nan 0.000 0.447 172 Q N -0.535 119.233 119.800 -0.053 0.000 2.167 172 Q HA -0.069 4.271 4.340 0.000 0.000 0.202 172 Q C 2.429 178.519 176.000 0.151 0.000 0.970 172 Q CA 0.820 56.667 55.803 0.074 0.000 0.855 172 Q CB 0.189 29.011 28.738 0.140 0.000 0.911 172 Q HN 0.272 nan 8.270 nan 0.000 0.438 173 V N 0.331 120.319 119.914 0.124 0.000 2.379 173 V HA -0.213 3.907 4.120 0.000 0.000 0.245 173 V C 2.100 178.348 176.094 0.257 0.000 1.044 173 V CA 1.849 64.285 62.300 0.226 0.000 1.036 173 V CB -0.312 31.676 31.823 0.274 0.000 0.664 173 V HN 0.285 nan 8.190 nan 0.000 0.453 174 S N -0.565 115.221 115.700 0.143 0.000 2.399 174 S HA -0.195 4.276 4.470 0.000 0.000 0.231 174 S C 1.957 176.648 174.600 0.152 0.000 1.022 174 S CA 1.293 59.595 58.200 0.171 0.000 0.983 174 S CB -0.236 62.992 63.200 0.046 0.000 0.803 174 S HN 0.556 nan 8.310 nan 0.000 0.480 175 K N 0.468 120.944 120.400 0.127 0.000 2.026 175 K HA -0.093 4.227 4.320 0.000 0.000 0.208 175 K C 1.900 178.619 176.600 0.197 0.000 1.048 175 K CA 1.546 57.912 56.287 0.131 0.000 0.929 175 K CB -0.328 32.239 32.500 0.110 0.000 0.713 175 K HN 0.422 nan 8.250 nan 0.000 0.439 176 F N 1.501 121.526 119.950 0.125 0.000 2.186 176 F HA -0.155 4.372 4.527 0.000 0.000 0.299 176 F C 2.089 178.031 175.800 0.237 0.000 1.090 176 F CA 1.279 59.385 58.000 0.177 0.000 1.307 176 F CB -0.103 38.947 39.000 0.085 0.000 1.019 176 F HN -0.067 nan 8.300 nan 0.000 0.489 177 M N 0.199 119.913 119.600 0.190 0.000 2.065 177 M HA -0.236 4.244 4.480 0.000 0.000 0.259 177 M C 2.424 178.782 176.300 0.097 0.000 1.071 177 M CA 2.044 57.417 55.300 0.122 0.000 1.109 177 M CB -0.501 32.214 32.600 0.191 0.000 1.313 177 M HN 0.064 nan 8.290 nan 0.000 0.408 178 R N -0.050 120.513 120.500 0.105 0.000 2.080 178 R HA -0.156 4.184 4.340 0.000 0.000 0.236 178 R C 2.402 178.710 176.300 0.013 0.000 1.137 178 R CA 2.019 58.164 56.100 0.075 0.000 0.943 178 R CB -0.768 29.572 30.300 0.067 0.000 0.846 178 R HN 0.504 nan 8.270 nan 0.000 0.431 179 S N -0.335 115.359 115.700 -0.010 0.000 2.440 179 S HA -0.163 4.307 4.470 0.000 0.000 0.238 179 S C 1.355 175.805 174.600 -0.251 0.000 1.010 179 S CA 1.000 59.148 58.200 -0.087 0.000 0.972 179 S CB -0.181 63.004 63.200 -0.024 0.000 0.774 179 S HN 0.377 nan 8.310 nan 0.000 0.501 180 Y N 1.223 121.351 120.300 -0.287 0.000 2.458 180 Y HA 0.433 4.983 4.550 0.000 0.000 0.256 180 Y C 1.852 177.688 175.900 -0.107 0.000 1.159 180 Y CA -0.266 57.672 58.100 -0.270 0.000 1.261 180 Y CB 0.399 38.529 38.460 -0.551 0.000 1.119 180 Y HN 0.412 nan 8.280 nan 0.000 0.524 181 G N 0.109 108.922 108.800 0.022 0.000 2.157 181 G HA2 -0.333 3.627 3.960 0.000 0.000 0.248 181 G HA3 -0.333 3.627 3.960 0.000 0.000 0.248 181 G C 0.110 175.039 174.900 0.048 0.000 0.979 181 G CA -0.272 44.842 45.100 0.024 0.000 0.650 181 G HN 0.303 nan 8.290 nan 0.000 0.529 182 F N 1.917 121.882 119.950 0.025 0.000 2.502 182 F HA 0.350 4.877 4.527 0.000 0.000 0.371 182 F C 1.546 177.370 175.800 0.040 0.000 1.083 182 F CA 0.524 58.551 58.000 0.046 0.000 1.174 182 F CB 0.238 39.282 39.000 0.072 0.000 1.096 182 F HN 0.230 nan 8.300 nan 0.000 0.545 183 N N 2.842 121.536 118.700 -0.010 0.000 2.100 183 N HA -0.358 4.382 4.740 0.000 0.000 0.199 183 N C 1.073 176.708 175.510 0.208 0.000 1.017 183 N CA 2.951 56.048 53.050 0.078 0.000 0.890 183 N CB -0.080 38.398 38.487 -0.015 0.000 1.080 183 N HN 0.898 nan 8.380 nan 0.000 0.525 184 T N -2.734 112.023 114.554 0.339 0.000 6.514 184 T HA -0.193 4.157 4.350 0.000 0.000 0.281 184 T C 0.730 175.528 174.700 0.163 0.000 2.169 184 T CA 1.028 63.277 62.100 0.249 0.000 3.671 184 T CB -2.110 66.879 68.868 0.201 0.000 0.990 184 T HN 0.523 nan 8.240 nan 0.000 0.826 185 N N 1.095 119.872 118.700 0.128 0.000 2.166 185 N HA -0.003 4.737 4.740 0.000 0.000 0.186 185 N C 1.056 176.614 175.510 0.080 0.000 1.019 185 N CA 1.412 54.517 53.050 0.091 0.000 0.856 185 N CB 0.000 38.527 38.487 0.067 0.000 0.993 185 N HN 0.498 nan 8.380 nan 0.000 0.426 186 K N -0.194 120.257 120.400 0.086 0.000 2.576 186 K HA 0.215 4.535 4.320 0.000 0.000 0.209 186 K C -0.908 175.697 176.600 0.008 0.000 1.049 186 K CA -0.171 56.148 56.287 0.054 0.000 1.140 186 K CB 1.211 33.748 32.500 0.062 0.000 0.871 186 K HN -0.033 nan 8.250 nan 0.000 0.479 187 V N 2.221 122.129 119.914 -0.010 0.000 2.427 187 V HA 0.348 4.468 4.120 0.000 0.000 0.286 187 V C 0.003 175.933 176.094 -0.274 0.000 1.034 187 V CA -0.758 61.440 62.300 -0.170 0.000 0.893 187 V CB 1.413 33.131 31.823 -0.176 0.000 0.982 187 V HN 0.222 nan 8.190 nan 0.000 0.452 188 R N 3.433 123.628 120.500 -0.508 0.000 2.750 188 R HA 0.619 4.960 4.340 0.000 0.000 0.281 188 R C -1.516 174.414 176.300 -0.618 0.000 0.972 188 R CA -0.576 55.193 56.100 -0.551 0.000 0.912 188 R CB 2.065 31.704 30.300 -1.102 0.000 1.187 188 R HN 0.502 nan 8.270 nan 0.000 0.464 189 F N 0.100 120.029 119.950 -0.036 0.000 2.508 189 F HA 0.618 5.145 4.527 0.000 0.000 0.325 189 F C 0.077 176.080 175.800 0.338 0.000 1.090 189 F CA -1.036 57.042 58.000 0.130 0.000 0.945 189 F CB 2.136 41.211 39.000 0.124 0.000 1.156 189 F HN 0.045 nan 8.300 nan 0.000 0.463 190 V N 4.758 124.925 119.914 0.421 0.000 2.711 190 V HA 0.584 4.704 4.120 0.000 0.000 0.304 190 V C -2.626 173.441 176.094 -0.046 0.000 1.097 190 V CA -2.335 60.062 62.300 0.162 0.000 0.906 190 V CB 2.687 34.634 31.823 0.206 0.000 1.015 190 V HN 0.519 nan 8.190 nan 0.000 0.427 191 P HA 0.424 nan 4.420 nan 0.000 0.287 191 P C -0.891 176.159 177.300 -0.416 0.000 1.281 191 P CA 0.108 62.834 63.100 -0.623 0.000 0.781 191 P CB 1.523 32.469 31.700 -1.258 0.000 0.903 192 V N 1.418 121.202 119.914 -0.217 0.000 3.206 192 V HA 0.665 4.785 4.120 0.000 0.000 0.305 192 V C -1.219 174.799 176.094 -0.127 0.000 1.257 192 V CA -1.057 61.139 62.300 -0.173 0.000 1.057 192 V CB 2.238 33.982 31.823 -0.131 0.000 1.075 192 V HN 0.158 nan 8.190 nan 0.000 0.443 193 V N 2.010 121.857 119.914 -0.111 0.000 2.385 193 V HA 0.642 4.762 4.120 0.000 0.000 0.277 193 V C 1.238 177.271 176.094 -0.101 0.000 1.012 193 V CA 0.399 62.642 62.300 -0.096 0.000 0.832 193 V CB 0.433 32.229 31.823 -0.045 0.000 1.028 193 V HN 1.403 nan 8.190 nan 0.000 0.436 194 A N 6.676 129.442 122.820 -0.090 0.000 1.869 194 A HA -0.092 4.228 4.320 0.000 0.000 0.218 194 A C 0.035 177.542 177.584 -0.129 0.000 1.203 194 A CA 2.437 54.431 52.037 -0.072 0.000 0.638 194 A CB -1.445 17.540 19.000 -0.024 0.000 0.831 194 A HN 0.683 nan 8.150 nan 0.000 0.450 195 P HA -0.157 nan 4.420 nan 0.000 0.217 195 P C 1.702 178.706 177.300 -0.493 0.000 1.148 195 P CA 2.148 64.877 63.100 -0.618 0.000 0.828 195 P CB -0.102 31.315 31.700 -0.472 0.000 0.783 196 S N -3.077 112.498 115.700 -0.207 0.000 2.502 196 S HA 0.327 4.797 4.470 0.000 0.000 0.215 196 S C 1.658 176.282 174.600 0.040 0.000 1.009 196 S CA 0.529 58.694 58.200 -0.059 0.000 0.908 196 S CB -0.643 62.558 63.200 0.001 0.000 0.801 196 S HN 0.265 nan 8.310 nan 0.000 0.505 197 G N 1.165 109.919 108.800 -0.078 0.000 2.157 197 G HA2 -0.189 3.771 3.960 0.000 0.000 0.239 197 G HA3 -0.189 3.771 3.960 0.000 0.000 0.239 197 G C -0.587 173.964 174.900 -0.581 0.000 0.982 197 G CA -0.072 44.892 45.100 -0.226 0.000 0.650 197 G HN 0.531 nan 8.290 nan 0.000 0.527 198 D N 1.187 121.412 120.400 -0.292 0.000 2.451 198 D HA 0.321 4.961 4.640 0.000 0.000 0.254 198 D C 1.339 177.474 176.300 -0.274 0.000 1.204 198 D CA 0.587 54.448 54.000 -0.232 0.000 0.896 198 D CB 0.179 40.962 40.800 -0.029 0.000 1.136 198 D HN 0.259 nan 8.370 nan 0.000 0.499 199 N N 1.548 120.073 118.700 -0.291 0.000 2.713 199 N HA -0.225 4.515 4.740 0.000 0.000 0.251 199 N C 0.588 175.978 175.510 -0.200 0.000 1.117 199 N CA 0.697 53.615 53.050 -0.220 0.000 0.770 199 N CB -0.929 37.398 38.487 -0.267 0.000 1.137 199 N HN 0.517 nan 8.380 nan 0.000 0.566 200 I N -0.669 119.745 120.570 -0.261 0.000 3.098 200 I HA -0.020 4.150 4.170 0.000 0.000 0.241 200 I C 1.921 177.931 176.117 -0.177 0.000 1.081 200 I CA 1.472 62.659 61.300 -0.188 0.000 1.487 200 I CB -0.138 37.752 38.000 -0.183 0.000 1.366 200 I HN 0.173 nan 8.210 nan 0.000 0.463 201 T N -1.583 112.826 114.554 -0.241 0.000 3.054 201 T HA 0.233 4.583 4.350 0.000 0.000 0.255 201 T C 0.144 174.810 174.700 -0.056 0.000 1.035 201 T CA -0.245 61.781 62.100 -0.122 0.000 0.941 201 T CB -0.321 68.510 68.868 -0.061 0.000 1.026 201 T HN 0.456 nan 8.240 nan 0.000 0.533 202 H N -0.832 118.217 119.070 -0.035 0.000 3.068 202 H HA 0.415 4.971 4.556 0.000 0.000 0.342 202 H C -1.708 173.592 175.328 -0.046 0.000 1.284 202 H CA -1.162 54.864 56.048 -0.037 0.000 1.181 202 H CB 1.015 30.755 29.762 -0.037 0.000 1.898 202 H HN -0.045 nan 8.280 nan 0.000 0.540 203 K N 1.527 122.003 120.400 0.127 0.000 2.383 203 K HA 0.042 4.362 4.320 0.000 0.000 0.286 203 K C 1.031 177.703 176.600 0.120 0.000 1.051 203 K CA 0.197 56.520 56.287 0.060 0.000 0.974 203 K CB 1.557 34.073 32.500 0.026 0.000 0.968 203 K HN 0.604 nan 8.250 nan 0.000 0.475 204 S N 3.637 119.358 115.700 0.035 0.000 2.389 204 S HA -0.278 4.192 4.470 0.000 0.000 0.229 204 S C 0.750 175.318 174.600 -0.053 0.000 1.048 204 S CA 2.308 60.516 58.200 0.013 0.000 1.117 204 S CB -0.058 63.078 63.200 -0.108 0.000 1.020 204 S HN 0.884 nan 8.310 nan 0.000 0.430 205 E N -1.387 118.740 120.200 -0.121 0.000 4.287 205 E HA -0.143 4.207 4.350 0.000 0.000 0.324 205 E C 0.629 177.095 176.600 -0.223 0.000 0.615 205 E CA 1.017 57.330 56.400 -0.144 0.000 1.912 205 E CB -1.978 27.654 29.700 -0.113 0.000 1.832 205 E HN 0.595 nan 8.360 nan 0.000 0.494 206 N N -0.014 118.493 118.700 -0.322 0.000 2.461 206 N HA 0.056 4.796 4.740 0.000 0.000 0.188 206 N C 0.861 176.093 175.510 -0.463 0.000 1.134 206 N CA 0.765 53.494 53.050 -0.536 0.000 0.878 206 N CB 0.187 38.001 38.487 -1.122 0.000 0.972 206 N HN 0.348 nan 8.380 nan 0.000 0.456 207 M N 0.170 119.495 119.600 -0.457 0.000 3.402 207 M HA 0.213 4.693 4.480 0.000 0.000 0.372 207 M C 0.455 176.317 176.300 -0.730 0.000 1.610 207 M CA -0.293 54.498 55.300 -0.848 0.000 0.650 207 M CB 1.118 33.080 32.600 -1.062 0.000 1.421 207 M HN -0.317 nan 8.290 nan 0.000 0.493 208 K N 1.153 121.340 120.400 -0.356 0.000 2.293 208 K HA -0.153 4.167 4.320 0.000 0.000 0.204 208 K C 1.622 178.195 176.600 -0.045 0.000 1.045 208 K CA 1.564 57.760 56.287 -0.152 0.000 0.933 208 K CB -0.144 32.324 32.500 -0.053 0.000 0.736 208 K HN 0.735 nan 8.250 nan 0.000 0.463 209 W N -0.421 120.907 121.300 0.047 0.000 2.465 209 W HA -0.079 4.581 4.660 0.000 0.000 0.268 209 W C 0.663 177.234 176.519 0.087 0.000 1.242 209 W CA -0.526 56.853 57.345 0.058 0.000 1.248 209 W CB -0.951 28.549 29.460 0.066 0.000 1.118 209 W HN -0.109 nan 8.180 nan 0.000 0.587 210 Y N 4.092 124.333 120.300 -0.098 0.000 2.350 210 Y HA 0.192 4.742 4.550 0.000 0.000 0.340 210 Y C 0.047 175.916 175.900 -0.052 0.000 1.006 210 Y CA -0.181 57.893 58.100 -0.043 0.000 1.166 210 Y CB 0.385 38.617 38.460 -0.379 0.000 1.168 210 Y HN -0.119 nan 8.280 nan 0.000 0.502 211 N N 3.140 121.523 118.700 -0.527 0.000 2.351 211 N HA 0.250 4.990 4.740 0.000 0.000 0.254 211 N C 0.131 175.302 175.510 -0.565 0.000 1.241 211 N CA -0.092 52.722 53.050 -0.394 0.000 0.883 211 N CB 1.154 39.536 38.487 -0.174 0.000 1.202 211 N HN 0.706 nan 8.380 nan 0.000 0.512 212 G N 0.612 108.626 108.800 -1.310 0.000 2.535 212 G HA2 0.468 4.428 3.960 0.000 0.000 0.303 212 G HA3 0.468 4.428 3.960 0.000 0.000 0.303 212 G C -2.543 172.177 174.900 -0.299 0.000 1.237 212 G CA -1.265 43.382 45.100 -0.754 0.000 0.986 212 G HN -0.078 nan 8.290 nan 0.000 0.494 213 P HA 0.201 nan 4.420 nan 0.000 0.272 213 P C 0.538 177.719 177.300 -0.198 0.000 1.240 213 P CA -0.172 62.705 63.100 -0.371 0.000 0.791 213 P CB 0.590 31.778 31.700 -0.854 0.000 0.978 214 T N -0.737 113.728 114.554 -0.148 0.000 2.788 214 T HA 0.110 4.460 4.350 0.000 0.000 0.280 214 T C 1.168 175.831 174.700 -0.062 0.000 0.984 214 T CA -0.727 61.334 62.100 -0.064 0.000 0.972 214 T CB 0.182 69.013 68.868 -0.063 0.000 1.039 214 T HN 0.182 nan 8.240 nan 0.000 0.530 215 L N 0.485 121.715 121.223 0.012 0.000 2.012 215 L HA -0.106 4.234 4.340 0.000 0.000 0.210 215 L C 2.501 179.416 176.870 0.075 0.000 1.073 215 L CA 2.566 57.465 54.840 0.100 0.000 0.748 215 L CB -1.331 40.738 42.059 0.016 0.000 0.891 215 L HN 1.081 nan 8.230 nan 0.000 0.431 216 E N -0.041 120.168 120.200 0.015 0.000 2.118 216 E HA -0.273 4.077 4.350 0.000 0.000 0.195 216 E C 1.789 178.438 176.600 0.082 0.000 0.992 216 E CA 1.751 58.182 56.400 0.053 0.000 0.804 216 E CB -0.087 29.635 29.700 0.037 0.000 0.741 216 E HN 0.651 nan 8.360 nan 0.000 0.458 217 E N -0.671 119.535 120.200 0.010 0.000 2.208 217 E HA -0.151 4.199 4.350 0.000 0.000 0.193 217 E C 1.792 178.426 176.600 0.056 0.000 0.988 217 E CA 0.848 57.245 56.400 -0.007 0.000 0.828 217 E CB -0.134 29.499 29.700 -0.111 0.000 0.763 217 E HN 0.493 nan 8.360 nan 0.000 0.478 218 Y N 0.734 121.090 120.300 0.093 0.000 2.314 218 Y HA -0.123 4.427 4.550 0.000 0.000 0.293 218 Y C 2.177 178.150 175.900 0.122 0.000 1.129 218 Y CA 0.199 58.357 58.100 0.097 0.000 1.201 218 Y CB 0.115 38.619 38.460 0.073 0.000 0.999 218 Y HN 0.011 nan 8.280 nan 0.000 0.541 219 L N -0.332 121.056 121.223 0.276 0.000 2.046 219 L HA -0.250 4.090 4.340 0.000 0.000 0.208 219 L C 1.550 178.714 176.870 0.490 0.000 1.077 219 L CA 1.174 56.181 54.840 0.277 0.000 0.747 219 L CB -0.400 41.705 42.059 0.077 0.000 0.896 219 L HN 0.214 nan 8.230 nan 0.000 0.432 220 D N -0.452 120.181 120.400 0.389 0.000 2.348 220 D HA -0.129 4.511 4.640 0.000 0.000 0.216 220 D C 1.961 178.440 176.300 0.298 0.000 0.970 220 D CA 0.758 54.968 54.000 0.350 0.000 0.889 220 D CB 0.102 41.002 40.800 0.167 0.000 0.912 220 D HN 0.470 nan 8.370 nan 0.000 0.524 221 Q N -0.223 119.753 119.800 0.294 0.000 2.425 221 Q HA 0.032 4.372 4.340 0.000 0.000 0.204 221 Q C 0.227 176.386 176.000 0.264 0.000 0.933 221 Q CA -0.276 55.677 55.803 0.249 0.000 0.939 221 Q CB 0.606 29.497 28.738 0.255 0.000 1.044 221 Q HN 0.105 nan 8.270 nan 0.000 0.513 222 L N 1.269 122.685 121.223 0.322 0.000 2.479 222 L HA 0.016 4.356 4.340 0.000 0.000 0.270 222 L C 0.519 177.525 176.870 0.227 0.000 1.236 222 L CA 0.995 55.965 54.840 0.217 0.000 0.823 222 L CB 0.267 42.410 42.059 0.140 0.000 1.098 222 L HN 0.016 nan 8.230 nan 0.000 0.500 223 E N 1.170 121.443 120.200 0.121 0.000 2.266 223 E HA 0.368 4.718 4.350 0.000 0.000 0.268 223 E C -1.010 175.614 176.600 0.041 0.000 0.879 223 E CA -0.910 55.559 56.400 0.116 0.000 0.762 223 E CB 2.072 31.825 29.700 0.088 0.000 1.199 223 E HN 0.209 nan 8.360 nan 0.000 0.422 224 L N 2.333 123.587 121.223 0.052 0.000 2.453 224 L HA 0.255 4.595 4.340 0.000 0.000 0.272 224 L C -1.970 174.908 176.870 0.013 0.000 1.182 224 L CA -1.589 53.255 54.840 0.008 0.000 0.858 224 L CB -1.026 41.057 42.059 0.040 0.000 1.120 224 L HN 0.134 nan 8.230 nan 0.000 0.474 225 P HA 0.053 nan 4.420 nan 0.000 0.261 225 P C -2.014 175.286 177.300 -0.000 0.000 1.183 225 P CA -0.489 62.609 63.100 -0.002 0.000 0.761 225 P CB -0.172 31.524 31.700 -0.006 0.000 0.785 226 P HA 0.115 nan 4.420 nan 0.000 0.270 226 P C -0.302 176.991 177.300 -0.013 0.000 1.223 226 P CA -0.226 62.872 63.100 -0.004 0.000 0.785 226 P CB 0.734 32.429 31.700 -0.008 0.000 0.923 227 K N 2.438 122.834 120.400 -0.007 0.000 2.382 227 K HA 0.150 4.470 4.320 0.000 0.000 0.275 227 K C -1.771 174.817 176.600 -0.019 0.000 1.009 227 K CA -1.564 54.718 56.287 -0.009 0.000 0.970 227 K CB -0.216 32.282 32.500 -0.003 0.000 0.934 227 K HN 0.304 nan 8.250 nan 0.000 0.479 228 P HA 0.010 nan 4.420 nan 0.000 0.220 228 P C 0.584 177.878 177.300 -0.011 0.000 1.793 228 P CA -0.095 62.988 63.100 -0.029 0.000 0.917 228 P CB -0.187 31.493 31.700 -0.035 0.000 1.755 229 V N -1.590 118.319 119.914 -0.008 0.000 2.667 229 V HA -0.139 3.981 4.120 0.000 0.000 0.252 229 V C 1.649 177.746 176.094 0.004 0.000 1.065 229 V CA 1.808 64.107 62.300 -0.001 0.000 1.083 229 V CB -1.128 30.694 31.823 -0.002 0.000 0.692 229 V HN 0.152 nan 8.190 nan 0.000 0.468 230 D N 0.180 120.577 120.400 -0.005 0.000 2.347 230 D HA -0.012 4.628 4.640 0.000 0.000 0.213 230 D C 0.798 177.096 176.300 -0.003 0.000 0.985 230 D CA 0.177 54.175 54.000 -0.005 0.000 0.879 230 D CB 0.045 40.836 40.800 -0.015 0.000 0.919 230 D HN 0.523 nan 8.370 nan 0.000 0.526 231 K N 1.193 121.590 120.400 -0.005 0.000 2.107 231 K HA 0.358 4.678 4.320 0.000 0.000 0.251 231 K C -2.492 174.172 176.600 0.105 0.000 1.012 231 K CA -1.777 54.511 56.287 0.002 0.000 0.920 231 K CB 0.422 32.877 32.500 -0.075 0.000 1.033 231 K HN -0.125 nan 8.250 nan 0.000 0.478 232 P HA -0.088 nan 4.420 nan 0.000 0.268 232 P C -0.768 176.624 177.300 0.154 0.000 1.208 232 P CA -0.330 62.895 63.100 0.209 0.000 0.777 232 P CB 0.357 32.218 31.700 0.268 0.000 0.875 233 L N 3.696 124.923 121.223 0.007 0.000 2.453 233 L HA 0.227 4.567 4.340 0.000 0.000 0.272 233 L C 0.019 176.739 176.870 -0.251 0.000 1.182 233 L CA 0.991 55.729 54.840 -0.170 0.000 0.858 233 L CB -0.343 41.426 42.059 -0.483 0.000 1.120 233 L HN 0.260 nan 8.230 nan 0.000 0.474 234 R N 6.658 127.008 120.500 -0.249 0.000 2.522 234 R HA 0.514 4.854 4.340 0.000 0.000 0.283 234 R C -1.480 174.663 176.300 -0.262 0.000 1.074 234 R CA -0.387 55.517 56.100 -0.326 0.000 0.925 234 R CB 1.424 31.477 30.300 -0.411 0.000 1.205 234 R HN 0.695 nan 8.270 nan 0.000 0.436 235 I N 4.027 124.433 120.570 -0.274 0.000 2.542 235 I HA 0.272 4.442 4.170 0.000 0.000 0.278 235 I C -2.428 173.598 176.117 -0.151 0.000 1.069 235 I CA -2.012 59.173 61.300 -0.192 0.000 1.100 235 I CB 2.451 40.332 38.000 -0.198 0.000 1.204 235 I HN 0.080 nan 8.210 nan 0.000 0.470 236 P HA 0.147 nan 4.420 nan 0.000 0.271 236 P C -0.488 176.828 177.300 0.026 0.000 1.220 236 P CA -0.094 62.935 63.100 -0.118 0.000 0.768 236 P CB 0.548 32.191 31.700 -0.095 0.000 0.848 237 I N 3.698 124.308 120.570 0.065 0.000 2.371 237 I HA 0.105 4.275 4.170 0.000 0.000 0.290 237 I C 1.334 177.491 176.117 0.068 0.000 1.028 237 I CA 0.180 61.533 61.300 0.088 0.000 1.345 237 I CB 1.292 39.360 38.000 0.112 0.000 1.407 237 I HN 0.432 nan 8.210 nan 0.000 0.501 238 Q N 4.245 124.076 119.800 0.051 0.000 2.324 238 Q HA 0.158 4.498 4.340 0.000 0.000 0.207 238 Q C -0.335 175.655 176.000 -0.017 0.000 0.928 238 Q CA 1.398 57.222 55.803 0.034 0.000 0.890 238 Q CB 0.684 29.453 28.738 0.052 0.000 1.001 238 Q HN 0.624 nan 8.270 nan 0.000 0.517 239 D N -1.313 119.050 120.400 -0.062 0.000 2.599 239 D HA 0.373 5.013 4.640 0.000 0.000 0.252 239 D C -1.712 174.400 176.300 -0.313 0.000 1.232 239 D CA -0.476 53.395 54.000 -0.216 0.000 0.819 239 D CB 2.256 42.896 40.800 -0.267 0.000 1.401 239 D HN -0.063 nan 8.370 nan 0.000 0.429 240 V N 1.829 121.438 119.914 -0.507 0.000 2.668 240 V HA 0.529 4.649 4.120 0.000 0.000 0.304 240 V C -1.758 173.987 176.094 -0.581 0.000 1.071 240 V CA -0.260 61.793 62.300 -0.413 0.000 0.894 240 V CB 1.180 32.856 31.823 -0.245 0.000 1.008 240 V HN 0.507 nan 8.190 nan 0.000 0.425 241 Y N 2.789 123.035 120.300 -0.091 0.000 2.659 241 Y HA 0.767 5.317 4.550 -0.000 0.000 0.333 241 Y C 0.515 176.370 175.900 -0.074 0.000 1.064 241 Y CA -0.837 57.221 58.100 -0.069 0.000 1.141 241 Y CB 2.475 40.900 38.460 -0.059 0.000 1.316 241 Y HN 0.515 nan 8.280 nan 0.000 0.509 242 S N 1.885 117.669 115.700 0.139 0.000 2.532 242 S HA 0.620 5.090 4.470 0.000 0.000 0.299 242 S C -1.505 173.127 174.600 0.054 0.000 1.105 242 S CA -0.541 57.691 58.200 0.054 0.000 1.018 242 S CB 0.794 64.007 63.200 0.021 0.000 1.021 242 S HN 0.279 nan 8.310 nan 0.000 0.483 243 I N 2.209 122.795 120.570 0.026 0.000 2.406 243 I HA 0.371 4.541 4.170 0.000 0.000 0.290 243 I C 0.693 176.814 176.117 0.007 0.000 0.999 243 I CA -0.899 60.408 61.300 0.012 0.000 1.124 243 I CB 1.211 39.211 38.000 0.000 0.000 1.289 243 I HN 0.535 nan 8.210 nan 0.000 0.441 244 S N 4.087 119.790 115.700 0.006 0.000 2.544 244 S HA 0.323 4.793 4.470 0.000 0.000 0.290 244 S C 1.349 175.951 174.600 0.003 0.000 1.276 244 S CA 1.140 59.342 58.200 0.004 0.000 1.075 244 S CB -0.069 63.133 63.200 0.003 0.000 0.849 244 S HN 1.204 nan 8.310 nan 0.000 0.494 245 G N 2.863 111.665 108.800 0.003 0.000 2.205 245 G HA2 -0.243 3.717 3.960 0.000 0.000 0.261 245 G HA3 -0.243 3.717 3.960 0.000 0.000 0.261 245 G C 0.629 175.532 174.900 0.006 0.000 0.980 245 G CA 0.430 45.533 45.100 0.004 0.000 0.632 245 G HN 0.784 nan 8.290 nan 0.000 0.533 246 V N -0.509 119.409 119.914 0.006 0.000 2.854 246 V HA 0.675 4.795 4.120 0.000 0.000 0.236 246 V C 1.730 177.830 176.094 0.009 0.000 1.157 246 V CA 2.094 64.399 62.300 0.009 0.000 1.187 246 V CB 0.293 32.120 31.823 0.008 0.000 0.949 246 V HN 2.086 nan 8.190 nan 0.000 0.488 247 G N 0.033 108.835 108.800 0.004 0.000 2.306 247 G HA2 -0.061 3.899 3.960 0.000 0.000 0.262 247 G HA3 -0.061 3.899 3.960 0.000 0.000 0.262 247 G C -0.398 174.496 174.900 -0.010 0.000 1.263 247 G CA -0.261 44.838 45.100 -0.002 0.000 1.088 247 G HN 0.142 nan 8.290 nan 0.000 0.489 248 T N 0.478 115.016 114.554 -0.026 0.000 2.814 248 T HA 0.489 4.839 4.350 0.000 0.000 0.297 248 T C 0.074 174.734 174.700 -0.066 0.000 0.956 248 T CA 0.093 62.159 62.100 -0.056 0.000 1.123 248 T CB 1.446 70.256 68.868 -0.096 0.000 0.902 248 T HN 1.120 nan 8.240 nan 0.000 0.528 249 V N 7.247 127.122 119.914 -0.066 0.000 2.327 249 V HA 0.285 4.405 4.120 0.000 0.000 0.272 249 V C -2.353 173.640 176.094 -0.169 0.000 1.019 249 V CA -1.899 60.338 62.300 -0.105 0.000 0.814 249 V CB 1.009 32.831 31.823 -0.001 0.000 1.040 249 V HN 0.672 nan 8.190 nan 0.000 0.440 250 P HA 0.363 nan 4.420 nan 0.000 0.274 250 P C -0.726 176.338 177.300 -0.394 0.000 1.237 250 P CA -0.153 62.703 63.100 -0.406 0.000 0.793 250 P CB 1.253 32.651 31.700 -0.502 0.000 0.977 251 V N 1.349 121.196 119.914 -0.112 0.000 2.709 251 V HA 0.884 5.004 4.120 0.000 0.000 0.308 251 V C 0.412 176.562 176.094 0.093 0.000 1.062 251 V CA -0.082 62.240 62.300 0.036 0.000 0.901 251 V CB 1.702 33.602 31.823 0.129 0.000 1.003 251 V HN 0.887 nan 8.190 nan 0.000 0.425 252 G N 3.412 112.303 108.800 0.152 0.000 2.495 252 G HA2 0.564 4.525 3.960 0.000 0.000 0.294 252 G HA3 0.564 4.525 3.960 0.000 0.000 0.294 252 G C -1.831 173.119 174.900 0.083 0.000 1.397 252 G CA -0.929 44.242 45.100 0.119 0.000 0.790 252 G HN 0.656 nan 8.290 nan 0.000 0.486 253 R N 0.222 120.746 120.500 0.041 0.000 2.338 253 R HA 0.588 4.928 4.340 0.000 0.000 0.317 253 R C -0.498 175.786 176.300 -0.026 0.000 0.968 253 R CA -0.507 55.598 56.100 0.008 0.000 0.849 253 R CB 1.534 31.844 30.300 0.017 0.000 1.128 253 R HN 0.314 nan 8.270 nan 0.000 0.448 254 V N 5.223 125.107 119.914 -0.050 0.000 2.479 254 V HA 0.010 4.130 4.120 0.000 0.000 0.281 254 V C 0.756 176.817 176.094 -0.054 0.000 1.031 254 V CA 0.421 62.670 62.300 -0.084 0.000 1.038 254 V CB 1.260 33.024 31.823 -0.098 0.000 0.981 254 V HN 0.889 nan 8.190 nan 0.000 0.478 255 E N 2.141 122.305 120.200 -0.061 0.000 2.447 255 E HA 0.190 4.540 4.350 0.000 0.000 0.204 255 E C 0.560 177.163 176.600 0.005 0.000 0.977 255 E CA 0.258 56.642 56.400 -0.026 0.000 0.950 255 E CB 1.238 30.919 29.700 -0.033 0.000 0.975 255 E HN 0.605 nan 8.360 nan 0.000 0.496 256 S N -1.192 114.507 115.700 -0.002 0.000 2.565 256 S HA 0.552 5.022 4.470 0.000 0.000 0.269 256 S C -0.189 174.417 174.600 0.010 0.000 1.153 256 S CA 0.146 58.379 58.200 0.054 0.000 0.835 256 S CB 1.317 64.657 63.200 0.234 0.000 1.122 256 S HN 0.347 nan 8.310 nan 0.000 0.462 257 G N 0.978 109.794 108.800 0.026 0.000 2.697 257 G HA2 -0.071 3.889 3.960 0.000 0.000 0.240 257 G HA3 -0.071 3.889 3.960 0.000 0.000 0.240 257 G C -1.052 173.839 174.900 -0.014 0.000 1.346 257 G CA -0.220 44.889 45.100 0.015 0.000 0.887 257 G HN 1.606 nan 8.290 nan 0.000 0.569 258 V N -0.136 119.783 119.914 0.007 0.000 2.709 258 V HA 0.700 4.820 4.120 0.000 0.000 0.308 258 V C -0.205 175.889 176.094 0.000 0.000 1.062 258 V CA -0.552 61.745 62.300 -0.005 0.000 0.901 258 V CB 1.680 33.511 31.823 0.014 0.000 1.003 258 V HN 1.164 nan 8.190 nan 0.000 0.425 259 L N 4.835 126.013 121.223 -0.074 0.000 2.313 259 L HA 0.676 5.016 4.340 0.000 0.000 0.283 259 L C -0.431 176.402 176.870 -0.062 0.000 1.013 259 L CA 0.069 54.843 54.840 -0.109 0.000 0.816 259 L CB 1.245 43.134 42.059 -0.284 0.000 1.236 259 L HN 0.659 nan 8.230 nan 0.000 0.419 260 K N 4.151 124.543 120.400 -0.013 0.000 2.316 260 K HA 0.555 4.875 4.320 0.000 0.000 0.251 260 K C -0.992 175.603 176.600 -0.009 0.000 0.934 260 K CA -1.120 55.158 56.287 -0.014 0.000 0.802 260 K CB 2.300 34.797 32.500 -0.005 0.000 1.171 260 K HN 0.327 nan 8.250 nan 0.000 0.426 261 V N 2.046 121.958 119.914 -0.004 0.000 2.644 261 V HA 0.021 4.141 4.120 0.000 0.000 0.305 261 V C 1.422 177.524 176.094 0.013 0.000 1.053 261 V CA 1.988 64.296 62.300 0.013 0.000 1.186 261 V CB 0.168 32.002 31.823 0.017 0.000 0.895 261 V HN 1.192 nan 8.190 nan 0.000 0.490 262 G N 3.618 112.432 108.800 0.023 0.000 2.254 262 G HA2 -0.176 3.784 3.960 0.000 0.000 0.225 262 G HA3 -0.176 3.784 3.960 0.000 0.000 0.225 262 G C -0.070 174.841 174.900 0.018 0.000 1.003 262 G CA -0.014 45.098 45.100 0.019 0.000 0.622 262 G HN 0.677 nan 8.290 nan 0.000 0.507 263 D N 1.220 121.634 120.400 0.024 0.000 2.382 263 D HA 0.538 5.178 4.640 0.000 0.000 0.240 263 D C 0.623 176.958 176.300 0.060 0.000 1.146 263 D CA 0.255 54.277 54.000 0.037 0.000 0.897 263 D CB 0.782 41.659 40.800 0.128 0.000 1.197 263 D HN 0.087 nan 8.370 nan 0.000 0.432 264 K N 0.738 121.175 120.400 0.061 0.000 2.143 264 K HA 0.572 4.892 4.320 0.000 0.000 0.272 264 K C -0.248 176.422 176.600 0.115 0.000 1.001 264 K CA -0.538 55.793 56.287 0.073 0.000 0.915 264 K CB 0.671 33.199 32.500 0.047 0.000 1.047 264 K HN 0.451 nan 8.250 nan 0.000 0.458 265 I N -1.251 119.365 120.570 0.076 0.000 2.969 265 I HA 0.637 4.807 4.170 0.000 0.000 0.307 265 I C -1.023 175.089 176.117 -0.007 0.000 1.149 265 I CA -1.391 59.898 61.300 -0.017 0.000 1.008 265 I CB 2.173 40.071 38.000 -0.169 0.000 1.232 265 I HN 0.178 nan 8.210 nan 0.000 0.435 266 V N 4.120 123.978 119.914 -0.093 0.000 2.604 266 V HA 0.575 4.695 4.120 0.000 0.000 0.305 266 V C -1.328 174.702 176.094 -0.107 0.000 1.043 266 V CA -0.418 61.882 62.300 -0.001 0.000 0.888 266 V CB 2.006 33.834 31.823 0.009 0.000 0.995 266 V HN 0.584 nan 8.190 nan 0.000 0.429 267 F N 6.868 126.815 119.950 -0.005 0.000 2.415 267 F HA 0.675 5.203 4.527 0.001 0.000 0.348 267 F C 0.336 176.122 175.800 -0.023 0.000 1.119 267 F CA -0.507 57.486 58.000 -0.011 0.000 1.069 267 F CB 1.717 40.718 39.000 0.001 0.000 1.124 267 F HN 0.216 nan 8.300 nan 0.000 0.472 268 M N 4.497 124.158 119.600 0.102 0.000 2.598 268 M HA 0.365 4.845 4.480 0.000 0.000 0.317 268 M C -2.022 174.316 176.300 0.063 0.000 1.179 268 M CA -2.700 52.631 55.300 0.053 0.000 0.936 268 M CB 1.661 34.253 32.600 -0.013 0.000 1.713 268 M HN 0.152 nan 8.290 nan 0.000 0.460 269 P HA 0.175 nan 4.420 nan 0.000 0.253 269 P C 0.740 178.062 177.300 0.036 0.000 1.260 269 P CA 0.356 63.475 63.100 0.031 0.000 0.800 269 P CB 0.078 31.791 31.700 0.021 0.000 1.162 270 A N 0.529 123.380 122.820 0.052 0.000 1.930 270 A HA 0.248 4.569 4.320 0.000 0.000 0.217 270 A C 1.818 179.428 177.584 0.042 0.000 1.175 270 A CA 1.408 53.466 52.037 0.036 0.000 0.627 270 A CB -1.540 17.472 19.000 0.021 0.000 0.815 270 A HN 0.272 nan 8.150 nan 0.000 0.443 271 G N -1.292 107.550 108.800 0.069 0.000 2.142 271 G HA2 -0.178 3.782 3.960 0.000 0.000 0.225 271 G HA3 -0.178 3.782 3.960 0.000 0.000 0.225 271 G C -0.174 174.772 174.900 0.076 0.000 1.015 271 G CA 0.272 45.409 45.100 0.062 0.000 0.716 271 G HN 0.401 nan 8.290 nan 0.000 0.508 272 K N 0.217 120.688 120.400 0.118 0.000 2.156 272 K HA 0.675 4.995 4.320 0.000 0.000 0.271 272 K C 0.255 176.980 176.600 0.208 0.000 0.995 272 K CA -0.640 55.716 56.287 0.115 0.000 0.890 272 K CB 2.353 34.877 32.500 0.040 0.000 1.073 272 K HN 0.149 nan 8.250 nan 0.000 0.454 273 V N 1.239 121.241 119.914 0.147 0.000 2.547 273 V HA 0.750 4.871 4.120 0.000 0.000 0.299 273 V C 0.665 176.856 176.094 0.161 0.000 1.040 273 V CA -0.663 61.731 62.300 0.158 0.000 0.913 273 V CB 1.731 33.610 31.823 0.093 0.000 0.992 273 V HN 0.937 nan 8.190 nan 0.000 0.449 274 G N 2.465 111.384 108.800 0.199 0.000 2.788 274 G HA2 0.678 4.638 3.960 0.000 0.000 0.293 274 G HA3 0.678 4.638 3.960 0.000 0.000 0.293 274 G C -1.650 173.338 174.900 0.147 0.000 1.392 274 G CA -0.467 44.739 45.100 0.176 0.000 0.810 274 G HN 0.662 nan 8.290 nan 0.000 0.508 275 E N -0.506 119.772 120.200 0.130 0.000 2.222 275 E HA 0.530 4.880 4.350 0.000 0.000 0.267 275 E C -0.948 175.728 176.600 0.126 0.000 0.884 275 E CA -0.658 55.804 56.400 0.103 0.000 0.764 275 E CB 2.303 32.045 29.700 0.071 0.000 1.169 275 E HN 0.225 nan 8.360 nan 0.000 0.413 276 V N 5.231 125.214 119.914 0.114 0.000 2.488 276 V HA 0.138 4.258 4.120 0.000 0.000 0.277 276 V C 1.166 177.319 176.094 0.099 0.000 1.046 276 V CA 0.150 62.531 62.300 0.136 0.000 0.986 276 V CB 1.083 32.945 31.823 0.066 0.000 0.989 276 V HN 0.748 nan 8.190 nan 0.000 0.475 277 R N 3.491 124.057 120.500 0.109 0.000 2.225 277 R HA 0.174 4.514 4.340 0.000 0.000 0.194 277 R C 0.504 176.845 176.300 0.069 0.000 0.957 277 R CA 0.896 57.041 56.100 0.075 0.000 1.042 277 R CB 0.515 30.856 30.300 0.069 0.000 1.004 277 R HN 0.865 nan 8.270 nan 0.000 0.509 278 S N -1.255 114.501 115.700 0.093 0.000 2.587 278 S HA 0.512 4.982 4.470 0.000 0.000 0.269 278 S C -0.844 173.824 174.600 0.113 0.000 1.154 278 S CA -1.035 57.212 58.200 0.078 0.000 0.824 278 S CB 1.453 64.689 63.200 0.061 0.000 1.118 278 S HN 0.055 nan 8.310 nan 0.000 0.462 279 I N 0.720 121.337 120.570 0.078 0.000 2.686 279 I HA 0.588 4.758 4.170 0.000 0.000 0.295 279 I C -0.832 175.311 176.117 0.044 0.000 1.114 279 I CA -0.323 61.028 61.300 0.084 0.000 1.038 279 I CB 2.337 40.355 38.000 0.029 0.000 1.238 279 I HN 0.877 nan 8.210 nan 0.000 0.420 280 E N 3.621 123.841 120.200 0.033 0.000 2.292 280 E HA 0.596 4.946 4.350 0.000 0.000 0.272 280 E C -1.680 174.885 176.600 -0.058 0.000 0.881 280 E CA -0.461 55.931 56.400 -0.013 0.000 0.754 280 E CB 2.164 31.842 29.700 -0.038 0.000 1.201 280 E HN 0.554 nan 8.360 nan 0.000 0.425 281 T N 3.661 118.171 114.554 -0.074 0.000 2.881 281 T HA 0.253 4.603 4.350 0.000 0.000 0.291 281 T C -0.853 173.779 174.700 -0.114 0.000 0.990 281 T CA -0.613 61.385 62.100 -0.171 0.000 0.976 281 T CB 0.714 69.493 68.868 -0.148 0.000 0.970 281 T HN 0.605 nan 8.240 nan 0.000 0.438 282 H N 2.523 121.585 119.070 -0.014 0.000 2.756 282 H HA -0.166 4.390 4.556 -0.000 0.000 0.315 282 H C 0.459 175.874 175.328 0.145 0.000 1.210 282 H CA 1.112 57.200 56.048 0.066 0.000 1.150 282 H CB -2.036 27.771 29.762 0.075 0.000 1.463 282 H HN 1.091 nan 8.280 nan 0.000 0.427 283 H N -2.496 116.620 119.070 0.077 0.000 2.791 283 H HA -0.145 4.410 4.556 -0.000 0.000 0.302 283 H C -0.032 175.322 175.328 0.044 0.000 1.198 283 H CA 1.403 57.477 56.048 0.044 0.000 1.145 283 H CB -1.164 28.622 29.762 0.040 0.000 1.385 283 H HN 0.432 nan 8.280 nan 0.000 0.409 284 T N 0.299 114.909 114.554 0.093 0.000 2.841 284 T HA 0.283 4.633 4.350 0.000 0.000 0.285 284 T C 0.235 174.958 174.700 0.038 0.000 0.991 284 T CA -1.012 61.133 62.100 0.075 0.000 0.966 284 T CB 2.159 71.079 68.868 0.087 0.000 0.962 284 T HN 0.199 nan 8.240 nan 0.000 0.438 285 K N 2.849 123.271 120.400 0.036 0.000 2.412 285 K HA 0.428 4.748 4.320 0.000 0.000 0.281 285 K C -0.599 176.014 176.600 0.022 0.000 1.027 285 K CA -0.163 56.140 56.287 0.026 0.000 0.989 285 K CB 0.391 32.907 32.500 0.026 0.000 0.935 285 K HN 0.343 nan 8.250 nan 0.000 0.475 286 M N 1.824 121.435 119.600 0.017 0.000 2.631 286 M HA 0.196 4.676 4.480 0.000 0.000 0.288 286 M C -0.231 176.075 176.300 0.009 0.000 1.260 286 M CA -0.440 54.867 55.300 0.011 0.000 0.842 286 M CB 1.997 34.599 32.600 0.002 0.000 1.743 286 M HN 0.510 nan 8.290 nan 0.000 0.461 287 D N 0.517 120.919 120.400 0.005 0.000 2.366 287 D HA 0.128 4.768 4.640 0.000 0.000 0.205 287 D C -0.312 175.984 176.300 -0.007 0.000 1.022 287 D CA 0.635 54.636 54.000 0.003 0.000 0.868 287 D CB 0.587 41.389 40.800 0.003 0.000 0.953 287 D HN 0.575 nan 8.370 nan 0.000 0.514 288 K N -0.731 119.662 120.400 -0.012 0.000 2.533 288 K HA 0.763 5.083 4.320 0.000 0.000 0.272 288 K C -1.595 174.985 176.600 -0.034 0.000 0.985 288 K CA -1.128 55.145 56.287 -0.024 0.000 0.876 288 K CB 2.428 34.918 32.500 -0.017 0.000 1.452 288 K HN -0.162 nan 8.250 nan 0.000 0.439 289 A N 1.195 123.983 122.820 -0.054 0.000 2.422 289 A HA 0.582 4.902 4.320 0.000 0.000 0.302 289 A C -1.357 176.192 177.584 -0.059 0.000 1.041 289 A CA -0.720 51.280 52.037 -0.062 0.000 0.708 289 A CB 1.338 20.280 19.000 -0.097 0.000 1.257 289 A HN 0.781 nan 8.150 nan 0.000 0.414 290 E N 1.412 121.587 120.200 -0.043 0.000 2.355 290 E HA 0.490 4.840 4.350 0.000 0.000 0.261 290 E C -2.723 173.857 176.600 -0.033 0.000 0.943 290 E CA -2.361 54.019 56.400 -0.033 0.000 0.806 290 E CB 1.104 30.794 29.700 -0.016 0.000 1.286 290 E HN 0.355 nan 8.360 nan 0.000 0.424 291 P HA -0.075 nan 4.420 nan 0.000 0.261 291 P C 0.480 177.774 177.300 -0.010 0.000 1.173 291 P CA 1.533 64.622 63.100 -0.019 0.000 0.760 291 P CB 0.232 31.926 31.700 -0.011 0.000 0.783 292 G N 1.969 110.764 108.800 -0.009 0.000 2.217 292 G HA2 -0.195 3.765 3.960 0.000 0.000 0.246 292 G HA3 -0.195 3.765 3.960 0.000 0.000 0.246 292 G C -0.063 174.838 174.900 0.002 0.000 0.990 292 G CA -0.285 44.818 45.100 0.005 0.000 0.627 292 G HN 0.505 nan 8.290 nan 0.000 0.522 293 D N 0.901 121.290 120.400 -0.019 0.000 2.351 293 D HA 0.304 4.944 4.640 0.000 0.000 0.251 293 D C 0.204 176.471 176.300 -0.055 0.000 1.137 293 D CA -0.052 53.923 54.000 -0.042 0.000 0.879 293 D CB 0.670 41.438 40.800 -0.053 0.000 1.181 293 D HN 0.402 nan 8.370 nan 0.000 0.448 294 N N 3.409 122.054 118.700 -0.093 0.000 2.457 294 N HA 0.289 5.030 4.740 0.000 0.000 0.250 294 N C -0.585 174.857 175.510 -0.113 0.000 0.982 294 N CA -0.398 52.609 53.050 -0.071 0.000 0.941 294 N CB 0.588 39.043 38.487 -0.054 0.000 1.120 294 N HN 0.431 nan 8.380 nan 0.000 0.505 295 I N -0.283 120.276 120.570 -0.019 0.000 3.067 295 I HA 0.790 4.961 4.170 0.000 0.000 0.312 295 I C -0.027 176.160 176.117 0.116 0.000 1.073 295 I CA -1.145 60.166 61.300 0.018 0.000 1.016 295 I CB 2.119 40.153 38.000 0.055 0.000 1.227 295 I HN 0.328 nan 8.210 nan 0.000 0.456 296 G N 2.343 111.203 108.800 0.099 0.000 2.495 296 G HA2 0.746 4.706 3.960 0.000 0.000 0.318 296 G HA3 0.746 4.706 3.960 0.000 0.000 0.318 296 G C -1.415 173.611 174.900 0.210 0.000 1.257 296 G CA -0.581 44.565 45.100 0.076 0.000 0.962 296 G HN 0.727 nan 8.290 nan 0.000 0.483 297 F N -0.280 119.681 119.950 0.018 0.000 2.596 297 F HA 0.581 5.108 4.527 0.001 0.000 0.311 297 F C -0.927 174.902 175.800 0.048 0.000 1.116 297 F CA -1.974 56.038 58.000 0.019 0.000 0.957 297 F CB 1.594 40.600 39.000 0.010 0.000 1.250 297 F HN 0.374 nan 8.300 nan 0.000 0.444 298 N N 1.832 120.628 118.700 0.160 0.000 2.422 298 N HA 0.411 5.152 4.740 0.000 0.000 0.264 298 N C -1.536 174.072 175.510 0.164 0.000 1.063 298 N CA -0.312 52.789 53.050 0.085 0.000 0.959 298 N CB 1.545 40.071 38.487 0.065 0.000 1.087 298 N HN 0.776 nan 8.380 nan 0.000 0.483 299 V N 5.122 125.118 119.914 0.137 0.000 2.417 299 V HA 0.546 4.666 4.120 0.000 0.000 0.291 299 V C -0.673 175.485 176.094 0.107 0.000 1.024 299 V CA -0.765 61.658 62.300 0.205 0.000 0.861 299 V CB 0.767 32.792 31.823 0.337 0.000 0.985 299 V HN 0.627 nan 8.190 nan 0.000 0.436 300 R N 4.504 125.065 120.500 0.102 0.000 2.407 300 R HA 0.598 4.938 4.340 0.000 0.000 0.303 300 R C 0.909 177.245 176.300 0.059 0.000 0.981 300 R CA 0.190 56.326 56.100 0.061 0.000 0.905 300 R CB 1.438 31.769 30.300 0.052 0.000 1.099 300 R HN 1.247 nan 8.270 nan 0.000 0.459 301 G N 0.492 109.310 108.800 0.031 0.000 2.179 301 G HA2 -0.246 3.714 3.960 0.000 0.000 0.220 301 G HA3 -0.246 3.714 3.960 0.000 0.000 0.220 301 G C -0.431 174.474 174.900 0.008 0.000 0.990 301 G CA 0.042 45.157 45.100 0.026 0.000 0.646 301 G HN 0.509 nan 8.290 nan 0.000 0.517 302 V N 1.046 120.949 119.914 -0.019 0.000 2.656 302 V HA 0.644 4.764 4.120 0.000 0.000 0.307 302 V C -0.259 175.760 176.094 -0.126 0.000 1.051 302 V CA -0.878 61.367 62.300 -0.092 0.000 0.893 302 V CB 1.721 33.434 31.823 -0.184 0.000 0.999 302 V HN 0.311 nan 8.190 nan 0.000 0.426 303 E N 4.756 124.878 120.200 -0.131 0.000 2.313 303 E HA 0.188 4.538 4.350 0.000 0.000 0.276 303 E C 0.353 176.854 176.600 -0.165 0.000 1.031 303 E CA -0.439 55.889 56.400 -0.119 0.000 0.857 303 E CB 1.323 30.970 29.700 -0.089 0.000 1.040 303 E HN 0.583 nan 8.360 nan 0.000 0.408 304 K N 3.709 124.025 120.400 -0.140 0.000 2.286 304 K HA -0.222 4.098 4.320 0.000 0.000 0.203 304 K C 1.602 178.111 176.600 -0.152 0.000 1.045 304 K CA 1.554 57.748 56.287 -0.156 0.000 0.935 304 K CB 0.046 32.477 32.500 -0.114 0.000 0.737 304 K HN 0.439 nan 8.250 nan 0.000 0.460 305 K N -0.620 119.707 120.400 -0.122 0.000 2.366 305 K HA -0.067 4.253 4.320 0.000 0.000 0.198 305 K C 0.622 177.154 176.600 -0.114 0.000 1.044 305 K CA 1.241 57.467 56.287 -0.102 0.000 0.973 305 K CB 0.186 32.642 32.500 -0.074 0.000 0.767 305 K HN 0.000 nan 8.250 nan 0.000 0.475 306 D N 0.984 121.293 120.400 -0.153 0.000 2.328 306 D HA 0.171 4.812 4.640 0.000 0.000 0.226 306 D C 0.011 176.178 176.300 -0.221 0.000 1.066 306 D CA 0.365 54.269 54.000 -0.161 0.000 0.861 306 D CB 0.274 40.972 40.800 -0.169 0.000 0.912 306 D HN 0.287 nan 8.370 nan 0.000 0.521 307 I N 0.851 121.278 120.570 -0.238 0.000 2.498 307 I HA 0.278 4.448 4.170 0.000 0.000 0.290 307 I C -0.047 175.996 176.117 -0.124 0.000 1.032 307 I CA -0.663 60.498 61.300 -0.231 0.000 1.073 307 I CB 1.934 39.705 38.000 -0.380 0.000 1.251 307 I HN -0.460 nan 8.210 nan 0.000 0.426 308 K N 4.559 124.927 120.400 -0.054 0.000 2.508 308 K HA 0.428 4.748 4.320 0.000 0.000 0.260 308 K C -0.812 175.778 176.600 -0.016 0.000 0.949 308 K CA -1.045 55.213 56.287 -0.049 0.000 0.834 308 K CB 2.755 35.230 32.500 -0.041 0.000 1.365 308 K HN 0.571 nan 8.250 nan 0.000 0.437 309 R N -0.005 120.475 120.500 -0.033 0.000 2.583 309 R HA 0.054 4.394 4.340 0.000 0.000 0.274 309 R C 0.760 177.070 176.300 0.015 0.000 0.998 309 R CA 2.190 58.285 56.100 -0.009 0.000 1.081 309 R CB -0.178 30.108 30.300 -0.025 0.000 0.940 309 R HN 0.892 nan 8.270 nan 0.000 0.413 310 G N 2.714 111.549 108.800 0.059 0.000 2.254 310 G HA2 -0.229 3.731 3.960 0.000 0.000 0.225 310 G HA3 -0.229 3.731 3.960 0.000 0.000 0.225 310 G C -0.274 174.712 174.900 0.143 0.000 1.003 310 G CA 0.184 45.335 45.100 0.086 0.000 0.622 310 G HN 0.669 nan 8.290 nan 0.000 0.507 311 D N 0.059 120.518 120.400 0.100 0.000 2.360 311 D HA 0.558 5.199 4.640 0.000 0.000 0.242 311 D C 0.421 176.756 176.300 0.058 0.000 1.184 311 D CA 0.211 54.271 54.000 0.099 0.000 0.930 311 D CB 1.702 42.589 40.800 0.146 0.000 1.161 311 D HN 0.309 nan 8.370 nan 0.000 0.447 312 V N 0.973 120.880 119.914 -0.012 0.000 2.709 312 V HA 0.310 4.430 4.120 0.000 0.000 0.308 312 V C -0.031 175.949 176.094 -0.190 0.000 1.062 312 V CA -0.893 61.319 62.300 -0.146 0.000 0.901 312 V CB 2.183 33.841 31.823 -0.275 0.000 1.003 312 V HN 0.218 nan 8.190 nan 0.000 0.425 313 V N 3.191 122.931 119.914 -0.290 0.000 2.539 313 V HA 0.934 5.054 4.120 0.000 0.000 0.292 313 V C 0.701 176.554 176.094 -0.401 0.000 1.045 313 V CA 0.476 62.499 62.300 -0.462 0.000 0.945 313 V CB 1.525 33.018 31.823 -0.550 0.000 0.993 313 V HN 1.095 nan 8.190 nan 0.000 0.464 314 G N 2.308 110.878 108.800 -0.384 0.000 2.788 314 G HA2 0.503 4.463 3.960 0.000 0.000 0.293 314 G HA3 0.503 4.463 3.960 0.000 0.000 0.293 314 G C -1.432 173.279 174.900 -0.315 0.000 1.392 314 G CA -0.639 44.248 45.100 -0.354 0.000 0.810 314 G HN 0.567 nan 8.290 nan 0.000 0.508 315 H N -0.061 118.929 119.070 -0.133 0.000 2.482 315 H HA 0.292 4.848 4.556 0.000 0.000 0.344 315 H C -1.467 173.819 175.328 -0.070 0.000 1.151 315 H CA -1.729 54.260 56.048 -0.097 0.000 1.300 315 H CB 1.998 31.715 29.762 -0.074 0.000 1.494 315 H HN 0.081 nan 8.280 nan 0.000 0.542 316 P HA -0.180 nan 4.420 nan 0.000 0.217 316 P C 1.003 178.321 177.300 0.030 0.000 1.148 316 P CA 1.263 64.387 63.100 0.040 0.000 0.828 316 P CB 0.407 32.129 31.700 0.037 0.000 0.783 317 N N -1.322 117.399 118.700 0.036 0.000 2.166 317 N HA -0.117 4.623 4.740 0.000 0.000 0.186 317 N C 0.691 176.217 175.510 0.027 0.000 1.019 317 N CA 1.123 54.186 53.050 0.023 0.000 0.856 317 N CB -1.066 37.426 38.487 0.010 0.000 0.993 317 N HN 0.167 nan 8.380 nan 0.000 0.426 318 N N 1.132 119.855 118.700 0.037 0.000 2.790 318 N HA 0.241 4.981 4.740 0.000 0.000 0.256 318 N C -2.932 172.568 175.510 -0.016 0.000 1.409 318 N CA -1.212 51.854 53.050 0.027 0.000 0.799 318 N CB 1.585 40.107 38.487 0.057 0.000 1.170 318 N HN 0.039 nan 8.380 nan 0.000 0.507 319 P HA 0.317 nan 4.420 nan 0.000 0.275 319 P C -2.734 174.504 177.300 -0.103 0.000 1.228 319 P CA -1.056 62.007 63.100 -0.062 0.000 0.786 319 P CB 0.181 31.862 31.700 -0.031 0.000 0.927 320 P HA 0.022 nan 4.420 nan 0.000 0.265 320 P C -0.018 177.203 177.300 -0.131 0.000 1.187 320 P CA 0.741 63.711 63.100 -0.215 0.000 0.766 320 P CB -0.062 31.501 31.700 -0.228 0.000 0.820 321 T N 2.092 116.568 114.554 -0.130 0.000 2.919 321 T HA 0.253 4.603 4.350 0.000 0.000 0.302 321 T C 0.079 174.755 174.700 -0.040 0.000 1.031 321 T CA -0.112 61.954 62.100 -0.056 0.000 1.127 321 T CB 0.283 69.134 68.868 -0.027 0.000 0.952 321 T HN 0.027 nan 8.240 nan 0.000 0.540 322 V N 2.388 122.298 119.914 -0.007 0.000 2.444 322 V HA 0.629 4.749 4.120 0.000 0.000 0.294 322 V C 0.207 176.323 176.094 0.038 0.000 1.022 322 V CA -1.142 61.163 62.300 0.009 0.000 0.850 322 V CB 1.429 33.258 31.823 0.011 0.000 0.992 322 V HN 1.086 nan 8.190 nan 0.000 0.426 323 A N 2.676 125.533 122.820 0.062 0.000 2.320 323 A HA 0.481 4.801 4.320 0.000 0.000 0.287 323 A C 0.812 178.467 177.584 0.119 0.000 1.181 323 A CA -0.175 51.936 52.037 0.123 0.000 0.831 323 A CB 0.536 19.674 19.000 0.231 0.000 1.102 323 A HN 0.911 nan 8.150 nan 0.000 0.513 324 D N 1.562 122.022 120.400 0.099 0.000 2.240 324 D HA 0.023 4.663 4.640 0.000 0.000 0.206 324 D C 0.491 176.835 176.300 0.073 0.000 0.963 324 D CA 1.250 55.291 54.000 0.068 0.000 0.863 324 D CB 0.334 41.163 40.800 0.048 0.000 0.973 324 D HN 0.706 nan 8.370 nan 0.000 0.501 325 E N -1.468 118.797 120.200 0.108 0.000 2.390 325 E HA 0.412 4.762 4.350 0.000 0.000 0.280 325 E C -1.569 175.149 176.600 0.197 0.000 0.992 325 E CA -0.890 55.554 56.400 0.072 0.000 0.790 325 E CB 1.095 30.804 29.700 0.015 0.000 1.248 325 E HN 0.014 nan 8.360 nan 0.000 0.447 326 F N -0.865 119.137 119.950 0.087 0.000 2.643 326 F HA 0.734 5.260 4.527 -0.000 0.000 0.314 326 F C -1.149 174.744 175.800 0.154 0.000 1.096 326 F CA -0.760 57.302 58.000 0.103 0.000 0.953 326 F CB 1.771 40.818 39.000 0.078 0.000 1.345 326 F HN 0.162 nan 8.300 nan 0.000 0.468 327 T N 1.565 116.361 114.554 0.403 0.000 2.829 327 T HA 0.854 5.204 4.350 0.000 0.000 0.280 327 T C -0.713 174.264 174.700 0.462 0.000 0.999 327 T CA -0.423 61.857 62.100 0.300 0.000 0.983 327 T CB 1.465 70.448 68.868 0.193 0.000 0.968 327 T HN 1.020 nan 8.240 nan 0.000 0.446 328 A N 2.768 125.859 122.820 0.452 0.000 2.556 328 A HA 0.825 5.145 4.320 0.000 0.000 0.294 328 A C -0.887 176.895 177.584 0.330 0.000 1.091 328 A CA -1.015 51.330 52.037 0.513 0.000 0.704 328 A CB 1.439 20.993 19.000 0.923 0.000 1.300 328 A HN 0.747 nan 8.150 nan 0.000 0.406 329 R N 0.645 121.281 120.500 0.227 0.000 2.295 329 R HA 0.610 4.950 4.340 0.000 0.000 0.324 329 R C -0.615 175.737 176.300 0.087 0.000 0.968 329 R CA -0.229 55.947 56.100 0.126 0.000 0.837 329 R CB 1.209 31.543 30.300 0.056 0.000 1.133 329 R HN 0.752 nan 8.270 nan 0.000 0.450 330 I N -0.326 120.308 120.570 0.106 0.000 3.002 330 I HA 0.631 4.801 4.170 0.000 0.000 0.310 330 I C -0.938 175.204 176.117 0.042 0.000 1.087 330 I CA -1.473 59.869 61.300 0.071 0.000 1.017 330 I CB 2.015 40.145 38.000 0.216 0.000 1.226 330 I HN 0.418 nan 8.210 nan 0.000 0.443 331 I N 4.065 124.646 120.570 0.018 0.000 2.433 331 I HA 0.459 4.629 4.170 0.000 0.000 0.292 331 I C -0.928 175.231 176.117 0.070 0.000 1.001 331 I CA -0.668 60.648 61.300 0.027 0.000 1.119 331 I CB 1.823 39.820 38.000 -0.004 0.000 1.289 331 I HN 0.426 nan 8.210 nan 0.000 0.438 332 V N 8.606 128.568 119.914 0.081 0.000 2.322 332 V HA 0.095 4.215 4.120 0.000 0.000 0.258 332 V C 1.194 177.354 176.094 0.110 0.000 1.074 332 V CA 0.214 62.581 62.300 0.112 0.000 0.909 332 V CB 0.613 32.485 31.823 0.082 0.000 1.090 332 V HN 0.760 nan 8.190 nan 0.000 0.486 333 V N 1.722 121.721 119.914 0.142 0.000 2.719 333 V HA 0.155 4.275 4.120 0.000 0.000 0.252 333 V C 0.369 176.614 176.094 0.251 0.000 1.065 333 V CA 0.502 62.896 62.300 0.158 0.000 1.086 333 V CB -0.300 31.609 31.823 0.143 0.000 0.700 333 V HN 0.746 nan 8.190 nan 0.000 0.467 334 W N 0.855 122.206 121.300 0.086 0.000 3.036 334 W HA 0.684 5.344 4.660 -0.000 0.000 0.337 334 W C -1.426 175.165 176.519 0.121 0.000 1.055 334 W CA -0.585 56.807 57.345 0.078 0.000 1.248 334 W CB 0.888 30.373 29.460 0.042 0.000 1.335 334 W HN 0.182 nan 8.180 nan 0.000 0.446 335 H N 7.759 126.301 119.070 -0.880 0.000 3.042 335 H HA 0.265 4.821 4.556 0.000 0.000 0.345 335 H C -1.956 172.870 175.328 -0.837 0.000 1.052 335 H CA -1.361 54.097 56.048 -0.982 0.000 1.311 335 H CB 3.051 32.525 29.762 -0.480 0.000 1.810 335 H HN 0.316 nan 8.280 nan 0.000 0.505 336 P HA -0.079 nan 4.420 nan 0.000 0.221 336 P C 0.768 178.009 177.300 -0.099 0.000 1.150 336 P CA 1.311 64.216 63.100 -0.326 0.000 0.800 336 P CB 0.996 32.537 31.700 -0.264 0.000 0.787 337 T N -3.224 111.377 114.554 0.078 0.000 2.977 337 T HA 0.661 5.011 4.350 0.000 0.000 0.152 337 T C -0.013 174.554 174.700 -0.222 0.000 0.867 337 T CA 0.295 62.361 62.100 -0.058 0.000 0.917 337 T CB 0.150 68.969 68.868 -0.081 0.000 2.051 337 T HN 0.129 nan 8.240 nan 0.000 0.350 338 A N 0.624 123.193 122.820 -0.418 0.000 2.572 338 A HA 0.754 5.074 4.320 0.000 0.000 0.295 338 A C -1.700 175.427 177.584 -0.763 0.000 1.072 338 A CA -0.940 50.731 52.037 -0.610 0.000 0.691 338 A CB 1.387 19.987 19.000 -0.668 0.000 1.291 338 A HN 1.293 nan 8.150 nan 0.000 0.404 339 L N -0.604 120.218 121.223 -0.669 0.000 2.346 339 L HA 1.063 5.403 4.340 0.000 0.000 0.274 339 L C -0.151 176.628 176.870 -0.152 0.000 1.007 339 L CA -0.403 54.123 54.840 -0.523 0.000 0.818 339 L CB 1.594 43.260 42.059 -0.655 0.000 1.284 339 L HN 1.337 nan 8.230 nan 0.000 0.424 340 A N 1.861 124.641 122.820 -0.067 0.000 2.483 340 A HA 0.700 5.020 4.320 0.000 0.000 0.286 340 A C -0.632 176.975 177.584 0.039 0.000 1.207 340 A CA -0.986 51.063 52.037 0.020 0.000 0.764 340 A CB 0.746 19.771 19.000 0.041 0.000 1.341 340 A HN 0.787 nan 8.150 nan 0.000 0.428 341 N N -0.208 118.500 118.700 0.013 0.000 2.345 341 N HA 0.302 5.042 4.740 0.000 0.000 0.243 341 N C 1.160 176.690 175.510 0.034 0.000 1.246 341 N CA 1.956 55.004 53.050 -0.003 0.000 0.863 341 N CB 0.651 39.125 38.487 -0.021 0.000 1.096 341 N HN 1.594 nan 8.380 nan 0.000 0.446 342 G N 0.317 109.136 108.800 0.033 0.000 2.258 342 G HA2 -0.301 3.659 3.960 0.000 0.000 0.233 342 G HA3 -0.301 3.659 3.960 0.000 0.000 0.233 342 G C -0.053 174.918 174.900 0.119 0.000 1.006 342 G CA 0.146 45.279 45.100 0.054 0.000 0.620 342 G HN 0.642 nan 8.290 nan 0.000 0.511 343 Y N 2.966 123.274 120.300 0.013 0.000 2.632 343 Y HA 0.453 5.003 4.550 -0.000 0.000 0.329 343 Y C 0.322 176.270 175.900 0.080 0.000 1.174 343 Y CA 1.049 59.183 58.100 0.056 0.000 1.469 343 Y CB 0.707 39.211 38.460 0.074 0.000 1.242 343 Y HN 0.060 nan 8.280 nan 0.000 0.540 344 T N 9.389 123.815 114.554 -0.213 0.000 3.331 344 T HA 0.265 4.615 4.350 0.000 0.000 0.381 344 T C -2.575 171.901 174.700 -0.373 0.000 1.656 344 T CA -1.037 60.925 62.100 -0.229 0.000 1.453 344 T CB 0.308 69.133 68.868 -0.072 0.000 1.066 344 T HN 0.491 nan 8.240 nan 0.000 0.655 345 P HA 0.432 nan 4.420 nan 0.000 0.279 345 P C -0.383 176.840 177.300 -0.128 0.000 1.276 345 P CA -0.508 62.377 63.100 -0.360 0.000 0.801 345 P CB 1.104 32.587 31.700 -0.362 0.000 1.127 346 V N 1.308 121.203 119.914 -0.031 0.000 2.498 346 V HA 0.103 4.223 4.120 0.000 0.000 0.279 346 V C 0.577 176.679 176.094 0.014 0.000 1.048 346 V CA -0.152 62.131 62.300 -0.029 0.000 0.967 346 V CB 0.458 32.295 31.823 0.023 0.000 0.988 346 V HN 0.335 nan 8.190 nan 0.000 0.473 347 L N 5.461 126.623 121.223 -0.102 0.000 2.309 347 L HA 0.485 4.825 4.340 0.000 0.000 0.282 347 L C 0.074 176.847 176.870 -0.162 0.000 1.036 347 L CA 0.019 54.821 54.840 -0.063 0.000 0.806 347 L CB 1.158 43.068 42.059 -0.249 0.000 1.220 347 L HN 0.576 nan 8.230 nan 0.000 0.429 348 H N 3.232 122.302 119.070 0.000 0.000 2.541 348 H HA 0.567 5.123 4.556 -0.000 0.000 0.316 348 H C -1.036 174.279 175.328 -0.023 0.000 1.043 348 H CA -0.468 55.561 56.048 -0.032 0.000 1.232 348 H CB 2.259 32.020 29.762 -0.003 0.000 1.406 348 H HN 0.328 nan 8.280 nan 0.000 0.469 349 V N 6.408 126.257 119.914 -0.109 0.000 2.686 349 V HA 0.191 4.311 4.120 0.000 0.000 0.306 349 V C 0.429 176.247 176.094 -0.459 0.000 1.065 349 V CA -0.240 61.975 62.300 -0.141 0.000 0.894 349 V CB 1.029 32.747 31.823 -0.176 0.000 1.004 349 V HN 1.213 nan 8.190 nan 0.000 0.424 350 H N 3.637 122.736 119.070 0.048 0.000 1.452 350 H HA -0.298 4.259 4.556 0.000 0.000 0.090 350 H C 0.932 176.279 175.328 0.032 0.000 0.968 350 H CA 1.986 58.051 56.048 0.029 0.000 1.901 350 H CB -1.830 27.930 29.762 -0.003 0.000 2.257 350 H HN 1.035 nan 8.280 nan 0.000 0.961 351 T N -0.417 114.230 114.554 0.155 0.000 3.107 351 T HA 0.695 5.045 4.350 0.000 0.000 0.249 351 T C 0.907 175.573 174.700 -0.057 0.000 1.096 351 T CA 0.332 62.480 62.100 0.079 0.000 1.012 351 T CB -0.107 68.851 68.868 0.150 0.000 0.977 351 T HN 0.836 nan 8.240 nan 0.000 0.527 352 A N 0.909 123.540 122.820 -0.314 0.000 2.286 352 A HA 0.720 5.040 4.320 0.000 0.000 0.286 352 A C 0.178 177.584 177.584 -0.296 0.000 1.097 352 A CA -0.711 51.164 52.037 -0.270 0.000 0.821 352 A CB 0.946 19.748 19.000 -0.330 0.000 1.076 352 A HN 0.346 nan 8.150 nan 0.000 0.490 353 S N 0.746 116.272 115.700 -0.290 0.000 2.721 353 S HA 0.559 5.029 4.470 0.000 0.000 0.264 353 S C -1.437 172.981 174.600 -0.303 0.000 1.161 353 S CA -0.391 57.516 58.200 -0.488 0.000 1.113 353 S CB 0.265 63.168 63.200 -0.495 0.000 1.079 353 S HN 0.896 nan 8.310 nan 0.000 0.479 354 V N 3.519 123.268 119.914 -0.276 0.000 2.733 354 V HA 0.752 4.872 4.120 0.000 0.000 0.306 354 V C 0.321 176.332 176.094 -0.139 0.000 1.084 354 V CA -0.871 61.330 62.300 -0.164 0.000 0.905 354 V CB 1.750 33.501 31.823 -0.120 0.000 1.010 354 V HN 1.005 nan 8.190 nan 0.000 0.424 355 A N 3.079 125.842 122.820 -0.096 0.000 2.440 355 A HA 0.541 4.861 4.320 0.000 0.000 0.251 355 A C -0.117 177.431 177.584 -0.060 0.000 1.089 355 A CA 0.065 52.055 52.037 -0.078 0.000 0.779 355 A CB -0.026 18.941 19.000 -0.056 0.000 1.022 355 A HN 0.936 nan 8.150 nan 0.000 0.492 356 C N 2.215 121.483 119.300 -0.053 0.000 2.481 356 C HA 0.576 5.036 4.460 0.000 0.000 0.324 356 C C 0.389 175.422 174.990 0.071 0.000 1.170 356 C CA -0.688 58.331 59.018 0.001 0.000 1.361 356 C CB 1.065 28.776 27.740 -0.048 0.000 1.977 356 C HN 1.036 nan 8.230 nan 0.000 0.459 357 R N 2.144 122.669 120.500 0.041 0.000 2.390 357 R HA 0.517 4.857 4.340 0.000 0.000 0.291 357 R C -0.648 175.643 176.300 -0.015 0.000 1.070 357 R CA -0.219 55.891 56.100 0.017 0.000 1.014 357 R CB 0.656 30.950 30.300 -0.010 0.000 1.007 357 R HN 0.631 nan 8.270 nan 0.000 0.466 358 V N 4.866 124.739 119.914 -0.068 0.000 2.446 358 V HA -0.039 4.081 4.120 0.000 0.000 0.276 358 V C 1.184 177.158 176.094 -0.200 0.000 1.030 358 V CA 0.665 62.783 62.300 -0.303 0.000 1.033 358 V CB 1.100 32.803 31.823 -0.200 0.000 0.993 358 V HN 1.050 nan 8.190 nan 0.000 0.477 359 S N 2.938 118.489 115.700 -0.247 0.000 2.497 359 S HA 0.235 4.705 4.470 0.000 0.000 0.218 359 S C 0.402 174.922 174.600 -0.133 0.000 1.023 359 S CA -0.109 58.002 58.200 -0.148 0.000 0.913 359 S CB 0.407 63.531 63.200 -0.126 0.000 0.800 359 S HN 0.785 nan 8.310 nan 0.000 0.505 360 E N -0.015 120.078 120.200 -0.180 0.000 2.363 360 E HA 0.410 4.760 4.350 0.000 0.000 0.281 360 E C -1.965 174.546 176.600 -0.148 0.000 0.953 360 E CA -0.611 55.712 56.400 -0.129 0.000 0.778 360 E CB 1.408 31.052 29.700 -0.093 0.000 1.220 360 E HN 0.226 nan 8.360 nan 0.000 0.431 361 L N 5.253 126.413 121.223 -0.105 0.000 2.321 361 L HA 0.272 4.612 4.340 0.000 0.000 0.272 361 L C 1.001 177.830 176.870 -0.068 0.000 1.050 361 L CA -0.441 54.343 54.840 -0.094 0.000 0.893 361 L CB 1.002 43.010 42.059 -0.086 0.000 1.272 361 L HN 0.560 nan 8.230 nan 0.000 0.435 362 V N 1.062 120.944 119.914 -0.053 0.000 2.295 362 V HA -0.132 3.988 4.120 0.000 0.000 0.246 362 V C 1.027 177.106 176.094 -0.024 0.000 1.049 362 V CA 1.592 63.875 62.300 -0.028 0.000 1.024 362 V CB -0.311 31.509 31.823 -0.005 0.000 0.648 362 V HN 0.901 nan 8.190 nan 0.000 0.447 363 S N -1.857 113.830 115.700 -0.022 0.000 2.597 363 S HA 0.492 4.962 4.470 0.000 0.000 0.274 363 S C -1.195 173.392 174.600 -0.021 0.000 1.132 363 S CA -1.034 57.152 58.200 -0.023 0.000 0.835 363 S CB 2.129 65.327 63.200 -0.003 0.000 1.092 363 S HN 0.220 nan 8.310 nan 0.000 0.457 364 K N 0.487 120.868 120.400 -0.032 0.000 2.130 364 K HA 0.742 5.062 4.320 0.000 0.000 0.268 364 K C -1.401 175.196 176.600 -0.006 0.000 0.983 364 K CA -0.720 55.552 56.287 -0.026 0.000 0.893 364 K CB 0.670 33.137 32.500 -0.054 0.000 1.066 364 K HN 0.521 nan 8.250 nan 0.000 0.450 365 L N 2.103 123.331 121.223 0.009 0.000 2.330 365 L HA 0.296 4.636 4.340 0.000 0.000 0.271 365 L C -0.386 176.500 176.870 0.026 0.000 1.013 365 L CA -0.482 54.373 54.840 0.025 0.000 0.816 365 L CB 1.464 43.547 42.059 0.040 0.000 1.287 365 L HN 0.687 nan 8.230 nan 0.000 0.435 366 D N 3.765 124.186 120.400 0.035 0.000 2.371 366 D HA 0.090 4.731 4.640 0.000 0.000 0.256 366 D C -1.685 174.653 176.300 0.063 0.000 1.193 366 D CA -1.377 52.645 54.000 0.037 0.000 0.881 366 D CB 1.677 42.496 40.800 0.032 0.000 1.143 366 D HN 0.282 nan 8.370 nan 0.000 0.473 367 P HA -0.095 nan 4.420 nan 0.000 0.225 367 P C 0.967 178.341 177.300 0.124 0.000 1.148 367 P CA 0.824 63.966 63.100 0.070 0.000 0.779 367 P CB 0.483 32.214 31.700 0.051 0.000 0.780 368 R N -0.610 119.960 120.500 0.117 0.000 2.175 368 R HA 0.071 4.411 4.340 0.000 0.000 0.202 368 R C 2.085 178.486 176.300 0.168 0.000 1.018 368 R CA 1.715 57.899 56.100 0.140 0.000 1.029 368 R CB -0.277 30.050 30.300 0.046 0.000 0.959 368 R HN 0.287 nan 8.270 nan 0.000 0.480 369 T N -4.494 110.149 114.554 0.148 0.000 2.975 369 T HA 0.232 4.582 4.350 0.000 0.000 0.257 369 T C 1.376 176.260 174.700 0.307 0.000 1.003 369 T CA 0.549 62.758 62.100 0.181 0.000 0.932 369 T CB 1.202 70.110 68.868 0.066 0.000 1.087 369 T HN 0.300 nan 8.240 nan 0.000 0.512 370 G N 2.157 111.098 108.800 0.234 0.000 2.205 370 G HA2 -0.303 3.657 3.960 0.000 0.000 0.261 370 G HA3 -0.303 3.657 3.960 0.000 0.000 0.261 370 G C 0.063 175.043 174.900 0.134 0.000 0.980 370 G CA 0.312 45.535 45.100 0.205 0.000 0.632 370 G HN 1.061 nan 8.290 nan 0.000 0.533 371 Q N 0.707 120.561 119.800 0.090 0.000 2.394 371 Q HA 0.498 4.838 4.340 0.000 0.000 0.248 371 Q C 0.280 176.298 176.000 0.030 0.000 0.992 371 Q CA -0.114 55.711 55.803 0.036 0.000 0.888 371 Q CB 1.014 29.746 28.738 -0.010 0.000 1.257 371 Q HN 0.505 nan 8.270 nan 0.000 0.462 372 E N 0.701 120.914 120.200 0.022 0.000 2.480 372 E HA 0.051 4.401 4.350 0.000 0.000 0.258 372 E C -0.362 176.239 176.600 0.002 0.000 0.984 372 E CA 0.522 56.932 56.400 0.016 0.000 0.930 372 E CB 0.629 30.339 29.700 0.016 0.000 0.936 372 E HN 0.740 nan 8.360 nan 0.000 0.466 373 A N 4.671 127.489 122.820 -0.004 0.000 2.108 373 A HA 0.091 4.411 4.320 0.000 0.000 0.206 373 A C 0.591 178.159 177.584 -0.027 0.000 1.212 373 A CA 0.290 52.318 52.037 -0.015 0.000 0.843 373 A CB 0.359 19.350 19.000 -0.014 0.000 0.902 373 A HN 0.707 nan 8.150 nan 0.000 0.477 374 E N 0.253 120.432 120.200 -0.035 0.000 2.307 374 E HA 0.346 4.696 4.350 0.000 0.000 0.280 374 E C -1.496 175.075 176.600 -0.049 0.000 0.900 374 E CA -0.529 55.841 56.400 -0.051 0.000 0.790 374 E CB 1.070 30.723 29.700 -0.078 0.000 1.261 374 E HN 0.209 nan 8.360 nan 0.000 0.405 375 K N 2.358 122.733 120.400 -0.042 0.000 2.185 375 K HA 0.244 4.564 4.320 0.000 0.000 0.271 375 K C -0.349 176.220 176.600 -0.053 0.000 1.013 375 K CA -0.276 55.990 56.287 -0.036 0.000 0.943 375 K CB 0.356 32.843 32.500 -0.022 0.000 0.998 375 K HN 0.555 nan 8.250 nan 0.000 0.468 376 N N 1.535 120.205 118.700 -0.050 0.000 2.678 376 N HA -0.164 4.576 4.740 0.000 0.000 0.268 376 N C -2.542 172.912 175.510 -0.094 0.000 1.010 376 N CA 0.136 53.148 53.050 -0.063 0.000 0.784 376 N CB -1.061 37.397 38.487 -0.048 0.000 0.905 376 N HN 0.438 nan 8.380 nan 0.000 0.552 377 P HA -0.057 nan 4.420 nan 0.000 0.269 377 P C 0.059 177.229 177.300 -0.218 0.000 1.215 377 P CA 0.065 63.039 63.100 -0.210 0.000 0.780 377 P CB 0.856 32.414 31.700 -0.235 0.000 0.898 378 Q N 0.527 120.141 119.800 -0.309 0.000 2.297 378 Q HA 0.047 4.387 4.340 0.000 0.000 0.204 378 Q C 0.262 176.234 176.000 -0.048 0.000 0.962 378 Q CA 1.239 56.946 55.803 -0.160 0.000 0.879 378 Q CB -0.219 28.475 28.738 -0.073 0.000 0.947 378 Q HN 0.621 nan 8.270 nan 0.000 0.462 379 F N -3.438 116.465 119.950 -0.079 0.000 2.773 379 F HA 0.541 5.068 4.527 0.000 0.000 0.314 379 F C -1.693 174.037 175.800 -0.116 0.000 1.160 379 F CA -1.552 56.381 58.000 -0.112 0.000 0.920 379 F CB 0.929 39.849 39.000 -0.133 0.000 1.323 379 F HN -0.385 nan 8.300 nan 0.000 0.457 380 L N 2.007 123.321 121.223 0.153 0.000 2.341 380 L HA 0.649 4.989 4.340 0.000 0.000 0.267 380 L C -0.549 176.354 176.870 0.055 0.000 1.009 380 L CA -1.108 53.765 54.840 0.055 0.000 0.819 380 L CB 2.175 44.226 42.059 -0.013 0.000 1.323 380 L HN 0.579 nan 8.230 nan 0.000 0.425 381 K N 0.998 121.424 120.400 0.045 0.000 2.306 381 K HA 0.324 4.644 4.320 0.000 0.000 0.236 381 K C -0.824 175.760 176.600 -0.027 0.000 1.013 381 K CA -0.911 55.363 56.287 -0.022 0.000 0.857 381 K CB 1.795 34.322 32.500 0.044 0.000 1.214 381 K HN 0.529 nan 8.250 nan 0.000 0.449 382 Q N 0.037 119.817 119.800 -0.034 0.000 2.263 382 Q HA 0.131 4.471 4.340 0.000 0.000 0.289 382 Q C 0.527 176.542 176.000 0.025 0.000 1.061 382 Q CA 1.601 57.405 55.803 0.002 0.000 0.927 382 Q CB -0.086 28.645 28.738 -0.012 0.000 1.154 382 Q HN 0.831 nan 8.270 nan 0.000 0.378 383 G N 3.500 112.324 108.800 0.041 0.000 2.238 383 G HA2 -0.191 3.770 3.960 0.000 0.000 0.217 383 G HA3 -0.191 3.770 3.960 0.000 0.000 0.217 383 G C -0.444 174.474 174.900 0.032 0.000 0.996 383 G CA -0.034 45.089 45.100 0.039 0.000 0.632 383 G HN 0.683 nan 8.290 nan 0.000 0.503 384 D N 0.769 121.185 120.400 0.027 0.000 2.372 384 D HA 0.490 5.130 4.640 0.000 0.000 0.243 384 D C 0.822 177.137 176.300 0.026 0.000 1.121 384 D CA 0.640 54.652 54.000 0.020 0.000 0.898 384 D CB 1.821 42.626 40.800 0.009 0.000 1.202 384 D HN 0.905 nan 8.370 nan 0.000 0.428 385 V N -1.414 118.513 119.914 0.021 0.000 2.555 385 V HA 0.968 5.088 4.120 0.000 0.000 0.302 385 V C -0.288 175.821 176.094 0.025 0.000 1.038 385 V CA -0.853 61.462 62.300 0.024 0.000 0.887 385 V CB 1.193 33.025 31.823 0.016 0.000 0.991 385 V HN 0.678 nan 8.190 nan 0.000 0.434 386 A N 4.142 126.985 122.820 0.038 0.000 2.610 386 A HA 0.866 5.186 4.320 0.000 0.000 0.291 386 A C -1.231 176.388 177.584 0.058 0.000 1.086 386 A CA -0.763 51.294 52.037 0.034 0.000 0.677 386 A CB 1.464 20.473 19.000 0.016 0.000 1.278 386 A HN 0.890 nan 8.150 nan 0.000 0.414 387 I N 0.959 121.557 120.570 0.047 0.000 2.359 387 I HA 0.580 4.750 4.170 0.000 0.000 0.294 387 I C -0.792 175.344 176.117 0.032 0.000 0.987 387 I CA -0.737 60.605 61.300 0.069 0.000 1.225 387 I CB 1.627 39.664 38.000 0.063 0.000 1.366 387 I HN 0.343 nan 8.210 nan 0.000 0.466 388 V N 5.987 125.927 119.914 0.043 0.000 2.971 388 V HA 0.402 4.522 4.120 0.000 0.000 0.309 388 V C -0.493 175.507 176.094 -0.155 0.000 1.130 388 V CA -0.997 61.242 62.300 -0.103 0.000 0.964 388 V CB 2.570 34.279 31.823 -0.189 0.000 1.029 388 V HN 0.618 nan 8.190 nan 0.000 0.427 389 K N 2.385 122.612 120.400 -0.289 0.000 2.156 389 K HA 0.753 5.073 4.320 0.000 0.000 0.254 389 K C -1.661 174.602 176.600 -0.563 0.000 0.950 389 K CA -0.370 55.749 56.287 -0.281 0.000 0.849 389 K CB 1.943 34.347 32.500 -0.160 0.000 1.100 389 K HN 0.444 nan 8.250 nan 0.000 0.434 390 F N 1.159 120.770 119.950 -0.565 0.000 2.551 390 F HA 0.386 4.913 4.527 -0.000 0.000 0.316 390 F C -0.082 175.384 175.800 -0.556 0.000 1.089 390 F CA -0.881 56.725 58.000 -0.657 0.000 0.915 390 F CB 1.961 40.264 39.000 -1.162 0.000 1.186 390 F HN 0.097 nan 8.300 nan 0.000 0.456 391 K N 3.790 124.119 120.400 -0.118 0.000 2.483 391 K HA 0.392 4.713 4.320 0.000 0.000 0.256 391 K C -2.796 173.796 176.600 -0.014 0.000 0.961 391 K CA -1.935 54.315 56.287 -0.063 0.000 0.873 391 K CB 1.771 34.245 32.500 -0.044 0.000 1.107 391 K HN 0.153 nan 8.250 nan 0.000 0.432 392 P HA -0.002 nan 4.420 nan 0.000 0.267 392 P C 0.727 178.034 177.300 0.011 0.000 1.205 392 P CA -0.010 63.111 63.100 0.034 0.000 0.765 392 P CB 0.404 32.150 31.700 0.077 0.000 0.828 393 I N -0.337 120.231 120.570 -0.004 0.000 3.059 393 I HA 0.119 4.289 4.170 0.000 0.000 0.270 393 I C 0.120 176.233 176.117 -0.006 0.000 1.238 393 I CA 0.974 62.270 61.300 -0.007 0.000 1.478 393 I CB -0.145 37.847 38.000 -0.013 0.000 1.097 393 I HN 0.112 nan 8.210 nan 0.000 0.455 394 K N 0.969 121.364 120.400 -0.008 0.000 2.395 394 K HA 0.576 4.896 4.320 0.000 0.000 0.247 394 K C -2.691 173.909 176.600 0.001 0.000 0.973 394 K CA -1.951 54.331 56.287 -0.008 0.000 0.828 394 K CB 1.111 33.599 32.500 -0.020 0.000 1.272 394 K HN -0.218 nan 8.250 nan 0.000 0.439 395 P HA 0.059 nan 4.420 nan 0.000 0.264 395 P C -1.411 175.896 177.300 0.011 0.000 1.193 395 P CA -0.199 62.909 63.100 0.013 0.000 0.763 395 P CB 0.408 32.114 31.700 0.010 0.000 0.810 396 L N 5.062 126.297 121.223 0.020 0.000 2.470 396 L HA 0.412 4.752 4.340 0.000 0.000 0.268 396 L C -1.370 175.509 176.870 0.016 0.000 0.964 396 L CA -0.560 54.288 54.840 0.012 0.000 0.839 396 L CB 1.351 43.411 42.059 0.003 0.000 1.276 396 L HN 0.339 nan 8.230 nan 0.000 0.403 397 C N 4.986 124.306 119.300 0.033 0.000 2.482 397 C HA 0.779 5.239 4.460 0.000 0.000 0.378 397 C C 0.254 175.270 174.990 0.044 0.000 1.284 397 C CA -0.432 58.597 59.018 0.017 0.000 1.826 397 C CB -0.483 27.253 27.740 -0.008 0.000 2.473 397 C HN 0.660 nan 8.230 nan 0.000 0.562 398 V N 1.673 121.553 119.914 -0.057 0.000 3.159 398 V HA 0.814 4.934 4.120 0.000 0.000 0.308 398 V C -1.074 174.963 176.094 -0.094 0.000 1.190 398 V CA -0.625 61.603 62.300 -0.120 0.000 1.037 398 V CB 2.173 33.748 31.823 -0.412 0.000 1.060 398 V HN 0.670 nan 8.190 nan 0.000 0.437 399 E N 0.046 120.219 120.200 -0.046 0.000 2.429 399 E HA 0.496 4.846 4.350 0.000 0.000 0.276 399 E C -1.413 175.251 176.600 0.107 0.000 0.953 399 E CA -1.032 55.402 56.400 0.056 0.000 0.787 399 E CB 2.523 32.309 29.700 0.143 0.000 1.307 399 E HN 0.744 nan 8.360 nan 0.000 0.458 400 K N 0.643 121.134 120.400 0.152 0.000 2.382 400 K HA 0.009 4.329 4.320 0.000 0.000 0.275 400 K C 0.769 177.472 176.600 0.172 0.000 1.009 400 K CA 0.125 56.507 56.287 0.158 0.000 0.970 400 K CB 0.344 32.919 32.500 0.125 0.000 0.934 400 K HN 0.459 nan 8.250 nan 0.000 0.479 401 Y N 3.176 123.522 120.300 0.077 0.000 2.207 401 Y HA -0.272 4.277 4.550 -0.000 0.000 0.287 401 Y C 1.518 177.431 175.900 0.020 0.000 1.156 401 Y CA 2.176 60.311 58.100 0.059 0.000 1.182 401 Y CB -0.048 38.444 38.460 0.053 0.000 0.979 401 Y HN 0.760 nan 8.280 nan 0.000 0.521 402 N N -0.279 118.463 118.700 0.070 0.000 2.515 402 N HA -0.072 4.668 4.740 0.000 0.000 0.191 402 N C 0.784 176.186 175.510 -0.179 0.000 1.182 402 N CA 1.150 54.163 53.050 -0.062 0.000 0.879 402 N CB -0.316 38.173 38.487 0.003 0.000 0.984 402 N HN 0.568 nan 8.380 nan 0.000 0.453 403 E N -1.015 119.066 120.200 -0.198 0.000 2.306 403 E HA 0.188 4.538 4.350 0.000 0.000 0.201 403 E C -0.669 175.485 176.600 -0.743 0.000 0.874 403 E CA 0.368 56.502 56.400 -0.444 0.000 0.972 403 E CB 0.361 29.872 29.700 -0.315 0.000 0.957 403 E HN 0.263 nan 8.360 nan 0.000 0.492 404 F N 1.676 121.545 119.950 -0.135 0.000 2.931 404 F HA 0.217 4.744 4.527 0.001 0.000 0.375 404 F C -1.973 173.713 175.800 -0.191 0.000 1.243 404 F CA -1.743 56.170 58.000 -0.144 0.000 1.206 404 F CB 1.688 40.624 39.000 -0.107 0.000 1.643 404 F HN -0.105 nan 8.300 nan 0.000 0.593 405 P HA -0.146 nan 4.420 nan 0.000 0.216 405 P C -1.511 175.747 177.300 -0.069 0.000 1.150 405 P CA 1.884 64.710 63.100 -0.456 0.000 0.843 405 P CB -0.710 30.558 31.700 -0.720 0.000 0.787 406 P HA 0.011 nan 4.420 nan 0.000 0.230 406 P C 0.999 178.371 177.300 0.120 0.000 1.158 406 P CA 0.855 63.998 63.100 0.071 0.000 0.769 406 P CB -0.329 31.399 31.700 0.047 0.000 0.807 407 L N -2.099 119.189 121.223 0.110 0.000 2.769 407 L HA 0.392 4.732 4.340 0.000 0.000 0.240 407 L C 1.616 178.583 176.870 0.161 0.000 1.163 407 L CA 0.449 55.379 54.840 0.148 0.000 0.962 407 L CB -0.379 41.661 42.059 -0.031 0.000 1.258 407 L HN -0.068 nan 8.230 nan 0.000 0.513 408 G N -0.877 108.046 108.800 0.204 0.000 3.528 408 G HA2 0.174 4.134 3.960 0.000 0.000 0.266 408 G HA3 0.174 4.134 3.960 0.000 0.000 0.266 408 G C 0.361 175.483 174.900 0.370 0.000 1.004 408 G CA -0.307 44.954 45.100 0.268 0.000 0.853 408 G HN 0.138 nan 8.290 nan 0.000 0.501 409 R N 0.393 121.081 120.500 0.314 0.000 2.494 409 R HA 0.667 5.007 4.340 0.000 0.000 0.305 409 R C -1.282 175.110 176.300 0.154 0.000 0.959 409 R CA -0.756 55.433 56.100 0.150 0.000 0.864 409 R CB 1.047 31.429 30.300 0.136 0.000 1.159 409 R HN 0.077 nan 8.270 nan 0.000 0.446 410 F N 1.079 121.035 119.950 0.010 0.000 2.643 410 F HA 0.860 5.387 4.527 0.000 0.000 0.314 410 F C -1.529 174.280 175.800 0.015 0.000 1.096 410 F CA -1.269 56.726 58.000 -0.009 0.000 0.953 410 F CB 1.479 40.436 39.000 -0.072 0.000 1.345 410 F HN 0.528 nan 8.300 nan 0.000 0.468 411 A N 2.721 125.686 122.820 0.241 0.000 2.350 411 A HA 0.796 5.117 4.320 0.000 0.000 0.324 411 A C -1.007 176.771 177.584 0.323 0.000 1.118 411 A CA -0.896 51.243 52.037 0.170 0.000 0.783 411 A CB 1.112 20.160 19.000 0.081 0.000 1.236 411 A HN 0.847 nan 8.150 nan 0.000 0.457 412 M N 2.936 122.716 119.600 0.299 0.000 2.157 412 M HA 0.425 4.905 4.480 0.000 0.000 0.354 412 M C 0.004 176.457 176.300 0.256 0.000 1.170 412 M CA -0.048 55.431 55.300 0.298 0.000 1.060 412 M CB 1.154 33.974 32.600 0.366 0.000 1.615 412 M HN 0.594 nan 8.290 nan 0.000 0.460 413 R N 1.780 122.422 120.500 0.238 0.000 2.740 413 R HA 0.670 5.010 4.340 0.000 0.000 0.282 413 R C -1.440 174.985 176.300 0.208 0.000 0.969 413 R CA -0.791 55.425 56.100 0.194 0.000 0.918 413 R CB 2.045 32.424 30.300 0.131 0.000 1.175 413 R HN 0.568 nan 8.270 nan 0.000 0.464 414 D N 1.427 121.964 120.400 0.228 0.000 2.769 414 D HA 0.192 4.832 4.640 0.000 0.000 0.219 414 D C -0.006 176.429 176.300 0.224 0.000 1.245 414 D CA -0.358 53.788 54.000 0.242 0.000 0.801 414 D CB 1.083 42.092 40.800 0.349 0.000 1.598 414 D HN 0.546 nan 8.370 nan 0.000 0.485 415 M N 1.887 121.581 119.600 0.157 0.000 2.503 415 M HA -0.236 4.244 4.480 0.000 0.000 0.199 415 M C 0.935 177.239 176.300 0.006 0.000 0.466 415 M CA 1.197 56.559 55.300 0.102 0.000 0.510 415 M CB -1.803 30.902 32.600 0.175 0.000 1.858 415 M HN 0.812 nan 8.290 nan 0.000 0.799 416 G N -0.228 108.574 108.800 0.004 0.000 2.148 416 G HA2 -0.262 3.698 3.960 0.000 0.000 0.254 416 G HA3 -0.262 3.698 3.960 0.000 0.000 0.254 416 G C -0.026 174.807 174.900 -0.111 0.000 0.981 416 G CA 0.849 45.918 45.100 -0.052 0.000 0.670 416 G HN 0.523 nan 8.290 nan 0.000 0.528 417 K N -0.630 119.709 120.400 -0.102 0.000 2.466 417 K HA 0.580 4.901 4.320 0.000 0.000 0.260 417 K C -0.762 175.842 176.600 0.007 0.000 1.011 417 K CA -0.812 55.379 56.287 -0.160 0.000 0.871 417 K CB 1.381 33.596 32.500 -0.475 0.000 1.404 417 K HN 0.020 nan 8.250 nan 0.000 0.450 418 T N 1.246 115.810 114.554 0.017 0.000 2.749 418 T HA 0.107 4.457 4.350 0.000 0.000 0.295 418 T C 1.261 176.135 174.700 0.291 0.000 0.936 418 T CA -0.298 61.874 62.100 0.121 0.000 1.060 418 T CB 0.855 69.759 68.868 0.061 0.000 0.904 418 T HN 0.267 nan 8.240 nan 0.000 0.500 419 V N 2.755 122.883 119.914 0.356 0.000 2.599 419 V HA 0.326 4.446 4.120 0.000 0.000 0.245 419 V C 1.318 177.597 176.094 0.309 0.000 1.046 419 V CA 1.120 63.673 62.300 0.421 0.000 1.065 419 V CB -0.134 31.955 31.823 0.444 0.000 0.703 419 V HN 0.985 nan 8.190 nan 0.000 0.464 420 G N -1.190 107.766 108.800 0.261 0.000 2.677 420 G HA2 0.576 4.536 3.960 0.000 0.000 0.291 420 G HA3 0.576 4.536 3.960 0.000 0.000 0.291 420 G C -2.053 172.899 174.900 0.087 0.000 1.435 420 G CA -0.320 44.895 45.100 0.192 0.000 0.826 420 G HN -0.120 nan 8.290 nan 0.000 0.491 421 V N -0.333 119.563 119.914 -0.030 0.000 2.735 421 V HA 0.953 5.073 4.120 0.000 0.000 0.310 421 V C 0.552 176.400 176.094 -0.411 0.000 1.061 421 V CA 0.080 62.250 62.300 -0.216 0.000 0.913 421 V CB 1.824 33.560 31.823 -0.145 0.000 1.005 421 V HN 1.340 nan 8.190 nan 0.000 0.428 422 G N 2.486 110.713 108.800 -0.955 0.000 2.672 422 G HA2 0.757 4.717 3.960 0.000 0.000 0.292 422 G HA3 0.757 4.717 3.960 0.000 0.000 0.292 422 G C -2.114 172.355 174.900 -0.718 0.000 1.375 422 G CA -0.602 43.947 45.100 -0.919 0.000 0.890 422 G HN 0.440 nan 8.290 nan 0.000 0.476 423 I N 0.407 120.829 120.570 -0.247 0.000 2.433 423 I HA 0.437 4.607 4.170 0.000 0.000 0.292 423 I C -0.046 176.186 176.117 0.191 0.000 1.001 423 I CA -0.937 60.294 61.300 -0.115 0.000 1.119 423 I CB 1.837 39.635 38.000 -0.336 0.000 1.289 423 I HN 0.325 nan 8.210 nan 0.000 0.438 424 I N 7.202 127.950 120.570 0.297 0.000 2.416 424 I HA 0.134 4.304 4.170 0.000 0.000 0.288 424 I C 1.040 177.315 176.117 0.264 0.000 1.051 424 I CA -0.182 61.316 61.300 0.330 0.000 1.375 424 I CB 1.024 39.122 38.000 0.164 0.000 1.407 424 I HN 0.506 nan 8.210 nan 0.000 0.516 425 V N 0.763 120.835 119.914 0.263 0.000 3.645 425 V HA 0.373 4.493 4.120 0.000 0.000 0.275 425 V C -0.019 176.183 176.094 0.181 0.000 1.356 425 V CA 0.326 62.748 62.300 0.202 0.000 1.051 425 V CB 0.254 32.183 31.823 0.177 0.000 0.828 425 V HN 0.803 nan 8.190 nan 0.000 0.441 426 D N -1.031 119.494 120.400 0.209 0.000 2.769 426 D HA 0.573 5.213 4.640 0.000 0.000 0.219 426 D C -1.586 174.843 176.300 0.216 0.000 1.245 426 D CA -0.177 53.929 54.000 0.177 0.000 0.801 426 D CB 2.601 43.492 40.800 0.151 0.000 1.598 426 D HN 0.005 nan 8.370 nan 0.000 0.485 427 V N 2.984 123.000 119.914 0.169 0.000 2.588 427 V HA 0.448 4.568 4.120 0.000 0.000 0.304 427 V C -0.396 175.778 176.094 0.134 0.000 1.042 427 V CA -0.940 61.469 62.300 0.181 0.000 0.877 427 V CB 1.816 33.715 31.823 0.127 0.000 0.996 427 V HN 0.531 nan 8.190 nan 0.000 0.425 428 K N 6.158 126.640 120.400 0.137 0.000 2.268 428 K HA 0.456 4.776 4.320 0.000 0.000 0.276 428 K C -2.668 173.983 176.600 0.084 0.000 1.080 428 K CA -1.743 54.598 56.287 0.091 0.000 0.910 428 K CB 1.390 33.936 32.500 0.075 0.000 1.163 428 K HN 0.352 nan 8.250 nan 0.000 0.465 429 P HA -0.003 nan 4.420 nan 0.000 0.269 429 P C -0.949 176.377 177.300 0.044 0.000 1.215 429 P CA -0.140 62.991 63.100 0.053 0.000 0.780 429 P CB 1.086 32.811 31.700 0.040 0.000 0.898 430 A N 0.000 122.843 122.820 0.039 0.000 2.254 430 A HA 0.000 4.320 4.320 0.000 0.000 0.244 430 A CA 0.000 52.056 52.037 0.032 0.000 0.836 430 A CB 0.000 19.018 19.000 0.031 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486