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 3aap_1_A DATA FIRST_RESID 41 DATA SEQUENCE KHSCIAVIDA GSTGSRLHIY SYDTDDTNTP IHIEEIWNKK IKPGFASIQP DATA SEQUENCE NSVTIDAYLT MLLADAPIHN IPVYFYATAG MRLLPQSQQK KYYDELEYWF DATA SEQUENCE RQQSQWQLVE AKTITGNDEA LFDWLAVNYK LDTLKSVQNK SVGVMDMGGA DATA SEQUENCE SVQIVFPMPK NAEISKHNQV ELNIYGQNIN LYVHSFLGLG QTEMSHQFLN DATA SEQUENCE SPScFANDYP LPDGESGQGN APScKEEVTS LMNSVHKVNQ QIQPLLALNP DATA SEQUENCE VNEWYSIGGI SNLASSQLFH FENSELTNQS LLQQGDNQIc HQQWDILNGQ DATA SEQUENCE YPDDEYLYQY cLLSSYYYAL MVDGYGINPN QTIHYIPPEQ NLDWTIGVVL DATA SEQUENCE HRA 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 41 K HA 0.000 nan 4.320 nan 0.000 0.191 41 K C 0.000 176.260 176.600 -0.567 0.000 0.988 41 K CA 0.000 56.038 56.287 -0.416 0.000 0.838 41 K CB 0.000 32.175 32.500 -0.542 0.000 1.064 42 H N 0.047 119.079 119.070 -0.064 0.000 2.864 42 H HA 0.676 5.231 4.556 -0.002 0.000 0.354 42 H C -0.641 174.570 175.328 -0.195 0.000 1.208 42 H CA -0.556 55.424 56.048 -0.115 0.000 1.191 42 H CB 1.840 31.549 29.762 -0.087 0.000 1.889 42 H HN 0.288 nan 8.280 nan 0.000 0.574 43 S N 0.087 115.636 115.700 -0.251 0.000 2.592 43 S HA 0.350 4.819 4.470 -0.002 0.000 0.271 43 S C -0.055 174.301 174.600 -0.407 0.000 1.326 43 S CA -0.310 57.615 58.200 -0.457 0.000 1.024 43 S CB 0.426 63.094 63.200 -0.887 0.000 0.921 43 S HN 0.459 nan 8.310 nan 0.000 0.527 44 C N 2.105 121.340 119.300 -0.108 0.000 2.797 44 C HA 0.750 5.209 4.460 -0.002 0.000 0.306 44 C C -0.429 174.726 174.990 0.275 0.000 1.207 44 C CA -0.709 58.385 59.018 0.125 0.000 1.507 44 C CB 0.881 28.672 27.740 0.085 0.000 2.028 44 C HN 0.907 nan 8.230 nan 0.000 0.475 45 I N 1.720 122.507 120.570 0.360 0.000 2.827 45 I HA 0.706 4.875 4.170 -0.002 0.000 0.298 45 I C -0.889 175.419 176.117 0.318 0.000 1.235 45 I CA -0.163 61.338 61.300 0.335 0.000 1.021 45 I CB 1.795 39.995 38.000 0.333 0.000 1.259 45 I HN 0.810 nan 8.210 nan 0.000 0.427 46 A N 6.484 129.487 122.820 0.306 0.000 2.337 46 A HA 0.823 5.142 4.320 -0.002 0.000 0.329 46 A C -1.509 176.201 177.584 0.209 0.000 1.146 46 A CA -0.467 51.742 52.037 0.287 0.000 0.800 46 A CB 1.659 20.905 19.000 0.410 0.000 1.220 46 A HN 0.429 nan 8.150 nan 0.000 0.472 47 V N 3.339 123.332 119.914 0.132 0.000 2.525 47 V HA 0.381 4.500 4.120 -0.002 0.000 0.299 47 V C -0.591 175.488 176.094 -0.025 0.000 1.034 47 V CA -0.144 62.150 62.300 -0.009 0.000 0.863 47 V CB 1.460 33.198 31.823 -0.142 0.000 0.999 47 V HN 0.760 nan 8.190 nan 0.000 0.423 48 I N 3.710 124.218 120.570 -0.102 0.000 2.321 48 I HA 0.357 4.526 4.170 -0.002 0.000 0.291 48 I C -0.411 175.576 176.117 -0.217 0.000 0.998 48 I CA -0.238 60.961 61.300 -0.168 0.000 1.227 48 I CB 1.530 39.389 38.000 -0.236 0.000 1.368 48 I HN 0.582 nan 8.210 nan 0.000 0.466 49 D N 6.901 127.245 120.400 -0.094 0.000 2.396 49 D HA 0.350 4.989 4.640 -0.002 0.000 0.225 49 D C -0.248 176.059 176.300 0.011 0.000 1.121 49 D CA -0.328 53.733 54.000 0.101 0.000 0.853 49 D CB 1.302 42.203 40.800 0.168 0.000 1.043 49 D HN 0.555 nan 8.370 nan 0.000 0.500 50 A N 3.839 126.597 122.820 -0.103 0.000 2.774 50 A HA 0.630 4.949 4.320 -0.002 0.000 0.326 50 A C 0.746 178.386 177.584 0.094 0.000 1.478 50 A CA -0.321 51.655 52.037 -0.101 0.000 1.099 50 A CB 0.074 18.846 19.000 -0.379 0.000 1.148 50 A HN 0.555 nan 8.150 nan 0.000 0.519 51 G N 0.258 109.142 108.800 0.140 0.000 2.537 51 G HA2 0.396 4.355 3.960 -0.002 0.000 0.297 51 G HA3 0.396 4.355 3.960 -0.002 0.000 0.297 51 G C 1.202 176.179 174.900 0.128 0.000 1.310 51 G CA 0.318 45.506 45.100 0.147 0.000 1.027 51 G HN 0.972 nan 8.290 nan 0.000 0.505 52 S N -1.558 114.205 115.700 0.105 0.000 2.382 52 S HA -0.174 4.295 4.470 -0.002 0.000 0.228 52 S C 2.039 176.700 174.600 0.102 0.000 1.027 52 S CA 2.106 60.360 58.200 0.090 0.000 0.991 52 S CB -0.626 62.617 63.200 0.071 0.000 0.823 52 S HN 0.921 nan 8.310 nan 0.000 0.469 53 T N -2.509 112.110 114.554 0.110 0.000 3.060 53 T HA 0.576 4.925 4.350 -0.002 0.000 0.249 53 T C 0.728 175.505 174.700 0.129 0.000 1.079 53 T CA 0.275 62.443 62.100 0.112 0.000 1.013 53 T CB 0.293 69.223 68.868 0.103 0.000 0.975 53 T HN 0.860 nan 8.240 nan 0.000 0.518 54 G N -0.177 108.711 108.800 0.147 0.000 2.328 54 G HA2 0.463 4.422 3.960 -0.002 0.000 0.295 54 G HA3 0.463 4.422 3.960 -0.002 0.000 0.295 54 G C -1.729 173.266 174.900 0.157 0.000 1.413 54 G CA -0.793 44.404 45.100 0.161 0.000 0.817 54 G HN 0.185 nan 8.290 nan 0.000 0.546 55 S N -0.585 115.194 115.700 0.132 0.000 2.482 55 S HA 0.748 5.217 4.470 -0.002 0.000 0.303 55 S C -0.173 174.401 174.600 -0.044 0.000 1.091 55 S CA -0.679 57.554 58.200 0.056 0.000 1.057 55 S CB 1.945 65.201 63.200 0.094 0.000 1.031 55 S HN 0.699 nan 8.310 nan 0.000 0.485 56 R N 2.298 122.758 120.500 -0.067 0.000 2.439 56 R HA 0.510 4.849 4.340 -0.002 0.000 0.310 56 R C -1.448 174.708 176.300 -0.240 0.000 0.955 56 R CA -0.771 55.222 56.100 -0.179 0.000 0.853 56 R CB 0.734 30.936 30.300 -0.163 0.000 1.171 56 R HN 0.550 nan 8.270 nan 0.000 0.449 57 L N 4.236 125.292 121.223 -0.280 0.000 2.276 57 L HA 0.386 4.725 4.340 -0.002 0.000 0.286 57 L C -1.354 175.303 176.870 -0.355 0.000 1.061 57 L CA 0.043 54.771 54.840 -0.187 0.000 0.807 57 L CB 0.865 42.899 42.059 -0.042 0.000 1.177 57 L HN 0.678 nan 8.230 nan 0.000 0.429 58 H N 5.221 124.215 119.070 -0.127 0.000 2.547 58 H HA 0.591 5.147 4.556 -0.001 0.000 0.342 58 H C -0.770 174.419 175.328 -0.232 0.000 1.048 58 H CA -0.444 55.438 56.048 -0.276 0.000 1.204 58 H CB 1.470 30.964 29.762 -0.445 0.000 1.493 58 H HN 0.547 nan 8.280 nan 0.000 0.511 59 I N 3.744 124.257 120.570 -0.095 0.000 2.378 59 I HA 0.262 4.431 4.170 -0.002 0.000 0.291 59 I C -0.933 175.093 176.117 -0.152 0.000 0.992 59 I CA -0.737 60.576 61.300 0.021 0.000 1.154 59 I CB 0.982 39.101 38.000 0.198 0.000 1.315 59 I HN 0.480 nan 8.210 nan 0.000 0.448 60 Y N 3.375 123.771 120.300 0.160 0.000 2.393 60 Y HA 0.411 4.960 4.550 -0.001 0.000 0.341 60 Y C 0.480 176.496 175.900 0.192 0.000 0.988 60 Y CA -0.741 57.443 58.100 0.140 0.000 1.078 60 Y CB 2.190 40.697 38.460 0.079 0.000 1.203 60 Y HN 0.542 nan 8.280 nan 0.000 0.453 61 S N 2.758 118.645 115.700 0.311 0.000 2.608 61 S HA 0.850 5.319 4.470 -0.002 0.000 0.291 61 S C -1.248 173.501 174.600 0.247 0.000 1.146 61 S CA -0.576 57.743 58.200 0.199 0.000 1.043 61 S CB 1.227 64.478 63.200 0.084 0.000 1.037 61 S HN 0.668 nan 8.310 nan 0.000 0.520 62 Y N -1.645 118.690 120.300 0.059 0.000 2.656 62 Y HA 0.727 5.276 4.550 -0.001 0.000 0.334 62 Y C -1.512 174.445 175.900 0.094 0.000 1.179 62 Y CA -1.224 56.899 58.100 0.040 0.000 1.050 62 Y CB 0.578 39.044 38.460 0.011 0.000 1.308 62 Y HN 0.494 nan 8.280 nan 0.000 0.456 63 D N 0.413 120.946 120.400 0.222 0.000 2.449 63 D HA 0.545 5.184 4.640 -0.002 0.000 0.250 63 D C -0.996 175.470 176.300 0.277 0.000 1.050 63 D CA -0.448 53.675 54.000 0.205 0.000 1.024 63 D CB 2.154 43.128 40.800 0.291 0.000 1.218 63 D HN 0.635 nan 8.370 nan 0.000 0.566 64 T N 0.602 115.277 114.554 0.201 0.000 2.824 64 T HA 0.348 4.697 4.350 -0.002 0.000 0.282 64 T C -0.225 174.551 174.700 0.127 0.000 0.993 64 T CA -0.858 61.351 62.100 0.182 0.000 0.967 64 T CB 1.467 70.436 68.868 0.170 0.000 0.960 64 T HN 0.358 nan 8.240 nan 0.000 0.441 65 D N 1.093 121.566 120.400 0.122 0.000 2.478 65 D HA 0.116 4.755 4.640 -0.002 0.000 0.274 65 D C 0.838 177.192 176.300 0.089 0.000 1.234 65 D CA -0.606 53.458 54.000 0.107 0.000 1.069 65 D CB 0.400 41.278 40.800 0.130 0.000 1.113 65 D HN 0.469 nan 8.370 nan 0.000 0.571 66 D N -2.162 118.285 120.400 0.079 0.000 2.363 66 D HA -0.105 4.534 4.640 -0.002 0.000 0.226 66 D C 1.142 177.478 176.300 0.061 0.000 1.020 66 D CA 0.751 54.788 54.000 0.061 0.000 0.892 66 D CB -0.833 39.997 40.800 0.050 0.000 0.900 66 D HN 0.425 nan 8.370 nan 0.000 0.531 67 T N -3.736 110.866 114.554 0.079 0.000 3.145 67 T HA 0.089 4.438 4.350 -0.002 0.000 0.255 67 T C 0.735 175.453 174.700 0.030 0.000 1.039 67 T CA -0.259 61.880 62.100 0.065 0.000 0.928 67 T CB -0.439 68.493 68.868 0.106 0.000 1.029 67 T HN 0.025 nan 8.240 nan 0.000 0.554 68 N N 0.857 119.578 118.700 0.035 0.000 2.754 68 N HA -0.139 4.600 4.740 -0.002 0.000 0.248 68 N C -1.133 174.364 175.510 -0.023 0.000 1.093 68 N CA 1.068 54.128 53.050 0.017 0.000 0.699 68 N CB -1.685 36.806 38.487 0.006 0.000 1.016 68 N HN 0.643 nan 8.380 nan 0.000 0.552 69 T N 0.906 115.443 114.554 -0.030 0.000 2.824 69 T HA 0.501 4.850 4.350 -0.002 0.000 0.282 69 T C -2.640 172.031 174.700 -0.049 0.000 0.993 69 T CA -1.170 60.834 62.100 -0.161 0.000 0.967 69 T CB 2.355 70.925 68.868 -0.496 0.000 0.960 69 T HN -0.083 nan 8.240 nan 0.000 0.441 70 P HA 0.251 nan 4.420 nan 0.000 0.265 70 P C -0.543 176.831 177.300 0.124 0.000 1.193 70 P CA -0.140 62.955 63.100 -0.008 0.000 0.765 70 P CB 0.213 31.710 31.700 -0.338 0.000 0.823 71 I N -2.011 118.657 120.570 0.163 0.000 3.145 71 I HA 0.529 4.698 4.170 -0.002 0.000 0.313 71 I C -0.438 175.725 176.117 0.076 0.000 1.122 71 I CA -1.330 60.022 61.300 0.086 0.000 0.987 71 I CB 1.541 39.416 38.000 -0.208 0.000 1.236 71 I HN 0.411 nan 8.210 nan 0.000 0.453 72 H N 0.804 120.015 119.070 0.236 0.000 2.713 72 H HA -0.102 4.453 4.556 -0.001 0.000 0.311 72 H C -0.618 174.796 175.328 0.144 0.000 1.175 72 H CA 0.322 56.461 56.048 0.151 0.000 1.143 72 H CB -1.613 28.182 29.762 0.055 0.000 1.434 72 H HN 0.410 nan 8.280 nan 0.000 0.418 73 I N 1.789 122.519 120.570 0.266 0.000 2.533 73 I HA 0.036 4.205 4.170 -0.002 0.000 0.284 73 I C 0.536 176.764 176.117 0.185 0.000 1.109 73 I CA 0.678 62.051 61.300 0.121 0.000 1.412 73 I CB 0.520 38.372 38.000 -0.247 0.000 1.396 73 I HN 0.244 nan 8.210 nan 0.000 0.543 74 E N 6.106 126.444 120.200 0.230 0.000 2.275 74 E HA 0.225 4.574 4.350 -0.002 0.000 0.270 74 E C -1.011 175.757 176.600 0.280 0.000 0.882 74 E CA -0.710 55.822 56.400 0.220 0.000 0.758 74 E CB 2.279 32.052 29.700 0.122 0.000 1.195 74 E HN 0.512 nan 8.360 nan 0.000 0.419 75 E N 3.112 123.446 120.200 0.223 0.000 2.257 75 E HA 0.130 4.479 4.350 -0.002 0.000 0.278 75 E C 0.840 177.459 176.600 0.032 0.000 1.049 75 E CA -0.010 56.388 56.400 -0.004 0.000 0.876 75 E CB 0.405 30.063 29.700 -0.070 0.000 1.035 75 E HN 0.586 nan 8.360 nan 0.000 0.419 76 I N 1.774 122.371 120.570 0.045 0.000 4.057 76 I HA 0.460 4.629 4.170 -0.002 0.000 0.334 76 I C -0.269 175.985 176.117 0.227 0.000 1.308 76 I CA -0.498 60.874 61.300 0.119 0.000 1.125 76 I CB 0.397 38.472 38.000 0.126 0.000 1.034 76 I HN 0.404 nan 8.210 nan 0.000 0.401 77 W N 1.231 122.489 121.300 -0.070 0.000 3.419 77 W HA 0.492 5.151 4.660 -0.002 0.000 0.298 77 W C -1.843 174.604 176.519 -0.121 0.000 1.260 77 W CA -0.595 56.714 57.345 -0.059 0.000 1.199 77 W CB 1.171 30.624 29.460 -0.011 0.000 1.349 77 W HN -0.147 nan 8.180 nan 0.000 0.557 78 N N 3.497 121.911 118.700 -0.476 0.000 2.357 78 N HA 0.609 5.348 4.740 -0.002 0.000 0.284 78 N C -1.904 173.128 175.510 -0.797 0.000 1.236 78 N CA -0.595 52.147 53.050 -0.514 0.000 0.774 78 N CB 2.389 40.625 38.487 -0.418 0.000 1.534 78 N HN 0.374 nan 8.380 nan 0.000 0.478 79 K N 1.627 121.696 120.400 -0.551 0.000 2.561 79 K HA 0.349 4.668 4.320 -0.002 0.000 0.254 79 K C -1.895 174.523 176.600 -0.304 0.000 0.942 79 K CA -0.637 55.370 56.287 -0.466 0.000 0.818 79 K CB 1.234 33.516 32.500 -0.363 0.000 1.306 79 K HN 0.473 nan 8.250 nan 0.000 0.435 80 K N 4.369 124.626 120.400 -0.238 0.000 2.324 80 K HA 0.663 4.982 4.320 -0.002 0.000 0.253 80 K C -1.426 175.095 176.600 -0.133 0.000 0.932 80 K CA -0.693 55.495 56.287 -0.166 0.000 0.799 80 K CB 1.227 33.652 32.500 -0.126 0.000 1.154 80 K HN 0.681 nan 8.250 nan 0.000 0.425 81 I N 2.197 122.691 120.570 -0.126 0.000 2.785 81 I HA 0.499 4.668 4.170 -0.002 0.000 0.302 81 I C -1.244 174.859 176.117 -0.024 0.000 1.069 81 I CA -0.830 60.389 61.300 -0.134 0.000 1.045 81 I CB 1.773 39.571 38.000 -0.337 0.000 1.236 81 I HN 0.659 nan 8.210 nan 0.000 0.429 82 K N 6.033 126.453 120.400 0.034 0.000 2.295 82 K HA 0.606 4.925 4.320 -0.002 0.000 0.239 82 K C -2.454 174.277 176.600 0.219 0.000 0.991 82 K CA -1.483 54.883 56.287 0.131 0.000 0.845 82 K CB 1.853 34.411 32.500 0.096 0.000 1.197 82 K HN 0.418 nan 8.250 nan 0.000 0.441 83 P HA 0.141 nan 4.420 nan 0.000 0.328 83 P C -0.232 177.234 177.300 0.275 0.000 1.305 83 P CA -0.427 62.797 63.100 0.207 0.000 0.745 83 P CB 0.021 31.808 31.700 0.145 0.000 1.462 84 G N -1.027 107.885 108.800 0.187 0.000 2.491 84 G HA2 -0.015 3.944 3.960 -0.002 0.000 0.238 84 G HA3 -0.015 3.944 3.960 -0.002 0.000 0.238 84 G C 0.410 175.393 174.900 0.139 0.000 1.277 84 G CA -0.365 44.847 45.100 0.187 0.000 0.851 84 G HN 0.369 nan 8.290 nan 0.000 0.573 85 F N 2.715 122.632 119.950 -0.055 0.000 2.126 85 F HA -0.153 4.373 4.527 -0.002 0.000 0.299 85 F C 2.574 178.160 175.800 -0.357 0.000 1.096 85 F CA 1.828 59.647 58.000 -0.301 0.000 1.255 85 F CB -0.189 38.751 39.000 -0.100 0.000 0.997 85 F HN 0.435 nan 8.300 nan 0.000 0.479 86 A N -1.056 121.600 122.820 -0.273 0.000 2.216 86 A HA -0.056 4.263 4.320 -0.002 0.000 0.214 86 A C 2.144 179.613 177.584 -0.192 0.000 1.160 86 A CA 1.364 53.129 52.037 -0.453 0.000 0.725 86 A CB -1.052 17.819 19.000 -0.215 0.000 0.784 86 A HN 0.452 nan 8.150 nan 0.000 0.472 87 S N -0.491 115.151 115.700 -0.097 0.000 2.535 87 S HA 0.256 4.725 4.470 -0.002 0.000 0.214 87 S C 0.695 175.289 174.600 -0.011 0.000 0.980 87 S CA -0.012 58.178 58.200 -0.016 0.000 0.907 87 S CB -0.724 62.488 63.200 0.020 0.000 0.790 87 S HN 0.649 nan 8.310 nan 0.000 0.510 88 I N -0.370 120.168 120.570 -0.053 0.000 2.664 88 I HA 0.461 4.630 4.170 -0.002 0.000 0.308 88 I C -0.040 176.043 176.117 -0.055 0.000 0.984 88 I CA -1.034 60.230 61.300 -0.060 0.000 1.213 88 I CB 1.043 38.951 38.000 -0.153 0.000 1.379 88 I HN 0.031 nan 8.210 nan 0.000 0.501 89 Q N 5.436 125.182 119.800 -0.091 0.000 2.271 89 Q HA 0.234 4.573 4.340 -0.002 0.000 0.273 89 Q C -2.116 173.710 176.000 -0.289 0.000 1.051 89 Q CA -1.647 54.064 55.803 -0.153 0.000 0.901 89 Q CB 0.720 29.399 28.738 -0.097 0.000 1.174 89 Q HN 0.456 nan 8.270 nan 0.000 0.385 90 P HA 0.054 nan 4.420 nan 0.000 0.225 90 P C -1.549 175.521 177.300 -0.383 0.000 1.813 90 P CA -0.074 62.573 63.100 -0.754 0.000 1.013 90 P CB -0.330 30.575 31.700 -1.324 0.000 1.961 91 N N -1.326 117.237 118.700 -0.228 0.000 2.469 91 N HA 0.200 4.939 4.740 -0.002 0.000 0.286 91 N C 0.733 176.209 175.510 -0.057 0.000 1.275 91 N CA -0.929 52.044 53.050 -0.128 0.000 0.790 91 N CB 0.372 38.801 38.487 -0.096 0.000 1.446 91 N HN -0.273 nan 8.380 nan 0.000 0.501 92 S N -0.448 115.241 115.700 -0.018 0.000 2.356 92 S HA -0.144 4.325 4.470 -0.002 0.000 0.223 92 S C 1.830 176.481 174.600 0.085 0.000 1.032 92 S CA 1.740 59.974 58.200 0.056 0.000 1.005 92 S CB -0.770 62.456 63.200 0.043 0.000 0.867 92 S HN 0.592 nan 8.310 nan 0.000 0.449 93 V N 0.514 120.460 119.914 0.053 0.000 2.343 93 V HA -0.169 3.950 4.120 -0.002 0.000 0.247 93 V C 2.070 178.205 176.094 0.067 0.000 1.051 93 V CA 2.207 64.547 62.300 0.067 0.000 1.036 93 V CB -1.836 30.014 31.823 0.044 0.000 0.654 93 V HN 0.408 nan 8.190 nan 0.000 0.451 94 T N 0.968 115.542 114.554 0.034 0.000 2.812 94 T HA 0.089 4.438 4.350 -0.002 0.000 0.264 94 T C 1.947 176.686 174.700 0.065 0.000 1.042 94 T CA 1.669 63.791 62.100 0.037 0.000 1.140 94 T CB -0.243 68.615 68.868 -0.016 0.000 0.870 94 T HN 0.327 nan 8.240 nan 0.000 0.445 95 I N 1.987 122.581 120.570 0.040 0.000 2.315 95 I HA -0.088 4.081 4.170 -0.002 0.000 0.248 95 I C 2.365 178.467 176.117 -0.025 0.000 1.117 95 I CA 1.185 62.519 61.300 0.057 0.000 1.404 95 I CB -1.194 36.843 38.000 0.063 0.000 1.071 95 I HN 0.228 nan 8.210 nan 0.000 0.419 96 D N 1.082 121.518 120.400 0.059 0.000 2.097 96 D HA -0.143 4.496 4.640 -0.002 0.000 0.195 96 D C 2.191 178.542 176.300 0.085 0.000 0.989 96 D CA 1.662 55.738 54.000 0.127 0.000 0.827 96 D CB 0.165 41.157 40.800 0.321 0.000 0.966 96 D HN 0.237 nan 8.370 nan 0.000 0.456 97 A N -0.894 121.991 122.820 0.108 0.000 1.902 97 A HA -0.166 4.153 4.320 -0.002 0.000 0.217 97 A C 2.299 179.939 177.584 0.093 0.000 1.181 97 A CA 1.516 53.617 52.037 0.107 0.000 0.623 97 A CB -1.257 17.809 19.000 0.110 0.000 0.818 97 A HN 0.484 nan 8.150 nan 0.000 0.443 98 Y N 0.364 120.645 120.300 -0.031 0.000 2.133 98 Y HA -0.111 4.438 4.550 -0.002 0.000 0.287 98 Y C 2.046 177.865 175.900 -0.135 0.000 1.134 98 Y CA 1.915 60.000 58.100 -0.026 0.000 1.133 98 Y CB -0.228 38.270 38.460 0.062 0.000 0.987 98 Y HN 0.201 nan 8.280 nan 0.000 0.502 99 L N -1.101 120.010 121.223 -0.187 0.000 2.141 99 L HA -0.213 4.126 4.340 -0.002 0.000 0.209 99 L C 2.249 178.852 176.870 -0.446 0.000 1.094 99 L CA 1.626 56.108 54.840 -0.598 0.000 0.763 99 L CB -0.852 40.291 42.059 -1.526 0.000 0.908 99 L HN 0.213 nan 8.230 nan 0.000 0.437 100 T N -0.364 114.079 114.554 -0.186 0.000 2.777 100 T HA -0.244 4.105 4.350 -0.002 0.000 0.266 100 T C 1.856 176.578 174.700 0.037 0.000 1.040 100 T CA 1.477 63.628 62.100 0.085 0.000 1.141 100 T CB -0.150 68.833 68.868 0.191 0.000 0.868 100 T HN 0.260 nan 8.240 nan 0.000 0.444 101 M N 0.379 119.960 119.600 -0.031 0.000 2.159 101 M HA -0.021 4.458 4.480 -0.002 0.000 0.263 101 M C 1.999 178.263 176.300 -0.060 0.000 1.063 101 M CA 1.310 56.587 55.300 -0.039 0.000 1.110 101 M CB -0.119 32.431 32.600 -0.084 0.000 1.374 101 M HN 0.190 nan 8.290 nan 0.000 0.411 102 L N -0.103 121.028 121.223 -0.154 0.000 2.131 102 L HA -0.025 4.314 4.340 -0.002 0.000 0.206 102 L C 1.597 178.480 176.870 0.022 0.000 1.087 102 L CA 1.761 56.519 54.840 -0.137 0.000 0.767 102 L CB -0.145 41.761 42.059 -0.255 0.000 0.917 102 L HN 0.349 nan 8.230 nan 0.000 0.441 103 L N -1.834 119.405 121.223 0.025 0.000 2.575 103 L HA 0.263 4.602 4.340 -0.002 0.000 0.228 103 L C 2.382 179.477 176.870 0.375 0.000 1.075 103 L CA 0.563 55.490 54.840 0.145 0.000 0.867 103 L CB -0.489 41.480 42.059 -0.149 0.000 1.097 103 L HN 0.165 nan 8.230 nan 0.000 0.485 104 A N 0.233 123.219 122.820 0.275 0.000 1.940 104 A HA -0.201 4.118 4.320 -0.002 0.000 0.219 104 A C 1.591 179.287 177.584 0.188 0.000 1.176 104 A CA 1.863 54.051 52.037 0.252 0.000 0.631 104 A CB -0.292 18.820 19.000 0.187 0.000 0.814 104 A HN 0.323 nan 8.150 nan 0.000 0.446 105 D N -0.189 120.337 120.400 0.209 0.000 2.339 105 D HA 0.313 4.952 4.640 -0.002 0.000 0.217 105 D C 0.727 176.910 176.300 -0.196 0.000 1.050 105 D CA 0.650 54.735 54.000 0.141 0.000 0.856 105 D CB -0.172 40.814 40.800 0.310 0.000 0.922 105 D HN 0.422 nan 8.370 nan 0.000 0.518 106 A N 2.450 125.011 122.820 -0.433 0.000 2.540 106 A HA 0.158 4.477 4.320 -0.002 0.000 0.239 106 A C -1.146 176.000 177.584 -0.731 0.000 1.061 106 A CA -0.648 50.703 52.037 -1.144 0.000 0.758 106 A CB 0.356 19.162 19.000 -0.325 0.000 0.991 106 A HN -0.038 nan 8.150 nan 0.000 0.502 107 P HA 0.082 nan 4.420 nan 0.000 0.247 107 P C 0.044 177.158 177.300 -0.310 0.000 1.225 107 P CA 0.350 63.181 63.100 -0.448 0.000 0.768 107 P CB -0.013 31.450 31.700 -0.395 0.000 1.020 108 I N -0.208 120.151 120.570 -0.353 0.000 2.918 108 I HA 0.443 4.612 4.170 -0.002 0.000 0.316 108 I C -0.130 175.830 176.117 -0.262 0.000 1.001 108 I CA -0.996 60.133 61.300 -0.284 0.000 1.142 108 I CB 1.132 38.941 38.000 -0.318 0.000 1.356 108 I HN -0.129 nan 8.210 nan 0.000 0.524 109 H N 4.720 123.584 119.070 -0.343 0.000 3.026 109 H HA 0.405 4.960 4.556 -0.002 0.000 0.352 109 H C -1.171 173.990 175.328 -0.279 0.000 1.090 109 H CA -0.877 54.961 56.048 -0.350 0.000 1.268 109 H CB 0.700 30.318 29.762 -0.241 0.000 1.816 109 H HN 0.540 nan 8.280 nan 0.000 0.518 110 N N 3.014 121.287 118.700 -0.712 0.000 2.688 110 N HA -0.205 4.534 4.740 -0.002 0.000 0.261 110 N C -1.030 174.330 175.510 -0.249 0.000 1.116 110 N CA 1.023 53.782 53.050 -0.485 0.000 0.689 110 N CB -1.159 37.062 38.487 -0.444 0.000 0.882 110 N HN 0.659 nan 8.380 nan 0.000 0.554 111 I N 0.068 120.517 120.570 -0.202 0.000 2.608 111 I HA 0.485 4.654 4.170 -0.002 0.000 0.295 111 I C -2.338 173.827 176.117 0.080 0.000 1.049 111 I CA -2.214 59.059 61.300 -0.044 0.000 1.063 111 I CB 2.537 40.515 38.000 -0.037 0.000 1.248 111 I HN -0.163 nan 8.210 nan 0.000 0.424 112 P HA 0.190 nan 4.420 nan 0.000 0.271 112 P C -1.351 176.028 177.300 0.132 0.000 1.216 112 P CA -0.100 63.043 63.100 0.071 0.000 0.776 112 P CB 0.864 32.599 31.700 0.060 0.000 0.881 113 V N 3.512 123.434 119.914 0.014 0.000 2.709 113 V HA 0.381 4.500 4.120 -0.002 0.000 0.308 113 V C -0.889 175.046 176.094 -0.266 0.000 1.062 113 V CA -0.639 61.680 62.300 0.031 0.000 0.901 113 V CB 1.501 33.391 31.823 0.111 0.000 1.003 113 V HN 0.377 nan 8.190 nan 0.000 0.425 114 Y N 3.363 123.562 120.300 -0.168 0.000 2.335 114 Y HA 0.580 5.129 4.550 -0.002 0.000 0.338 114 Y C -0.486 175.231 175.900 -0.305 0.000 0.977 114 Y CA -0.523 57.361 58.100 -0.360 0.000 1.114 114 Y CB 1.923 39.967 38.460 -0.694 0.000 1.182 114 Y HN 0.669 nan 8.280 nan 0.000 0.463 115 F N 5.074 124.911 119.950 -0.188 0.000 2.347 115 F HA 0.474 5.000 4.527 -0.002 0.000 0.366 115 F C -1.732 174.210 175.800 0.236 0.000 1.107 115 F CA -0.868 57.114 58.000 -0.029 0.000 1.058 115 F CB 0.291 39.263 39.000 -0.048 0.000 1.236 115 F HN 0.330 nan 8.300 nan 0.000 0.456 116 Y N 5.005 125.285 120.300 -0.033 0.000 2.345 116 Y HA 0.631 5.180 4.550 -0.002 0.000 0.331 116 Y C 0.209 176.139 175.900 0.050 0.000 0.959 116 Y CA -1.731 56.459 58.100 0.149 0.000 1.204 116 Y CB 1.132 39.789 38.460 0.329 0.000 1.135 116 Y HN 0.688 nan 8.280 nan 0.000 0.477 117 A N 2.583 125.585 122.820 0.303 0.000 2.304 117 A HA 0.748 5.067 4.320 -0.002 0.000 0.301 117 A C 0.636 178.313 177.584 0.156 0.000 1.132 117 A CA 0.088 52.260 52.037 0.225 0.000 0.819 117 A CB 0.548 19.782 19.000 0.391 0.000 1.094 117 A HN 0.752 nan 8.150 nan 0.000 0.492 118 T N -1.597 113.018 114.554 0.102 0.000 2.664 118 T HA 0.583 4.932 4.350 -0.002 0.000 0.232 118 T C 1.592 176.303 174.700 0.019 0.000 0.958 118 T CA 0.419 62.522 62.100 0.004 0.000 1.095 118 T CB -0.089 68.737 68.868 -0.069 0.000 1.938 118 T HN 1.182 nan 8.240 nan 0.000 0.536 119 A N 0.519 123.337 122.820 -0.004 0.000 1.940 119 A HA 0.172 4.491 4.320 -0.002 0.000 0.219 119 A C 2.457 180.060 177.584 0.032 0.000 1.176 119 A CA 2.156 54.198 52.037 0.009 0.000 0.631 119 A CB -1.895 17.109 19.000 0.007 0.000 0.814 119 A HN 1.013 nan 8.150 nan 0.000 0.446 120 G N -0.781 108.045 108.800 0.044 0.000 2.446 120 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.217 120 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.217 120 G C 1.508 176.425 174.900 0.027 0.000 1.168 120 G CA 1.600 46.726 45.100 0.043 0.000 0.771 120 G HN 0.445 nan 8.290 nan 0.000 0.551 121 M N 0.412 120.038 119.600 0.043 0.000 2.254 121 M HA 0.160 4.639 4.480 -0.002 0.000 0.265 121 M C 2.497 178.831 176.300 0.056 0.000 1.066 121 M CA 0.879 56.200 55.300 0.036 0.000 1.123 121 M CB -0.167 32.506 32.600 0.122 0.000 1.388 121 M HN 0.113 nan 8.290 nan 0.000 0.425 122 R N -0.478 120.054 120.500 0.054 0.000 2.193 122 R HA -0.073 4.266 4.340 -0.002 0.000 0.229 122 R C 1.694 178.016 176.300 0.037 0.000 1.110 122 R CA 1.074 57.199 56.100 0.040 0.000 0.988 122 R CB -0.626 29.684 30.300 0.016 0.000 0.871 122 R HN 0.398 nan 8.270 nan 0.000 0.458 123 L N 0.706 121.952 121.223 0.037 0.000 2.554 123 L HA 0.110 4.449 4.340 -0.002 0.000 0.226 123 L C 0.750 177.643 176.870 0.037 0.000 1.137 123 L CA 0.094 54.958 54.840 0.039 0.000 0.863 123 L CB 0.015 42.099 42.059 0.043 0.000 0.985 123 L HN 0.054 nan 8.230 nan 0.000 0.451 124 L N 0.365 121.609 121.223 0.035 0.000 2.343 124 L HA 0.363 4.702 4.340 -0.002 0.000 0.275 124 L C -2.003 174.897 176.870 0.050 0.000 1.056 124 L CA -2.056 52.808 54.840 0.039 0.000 0.804 124 L CB 0.975 43.052 42.059 0.030 0.000 1.203 124 L HN -0.220 nan 8.230 nan 0.000 0.440 125 P HA -0.051 nan 4.420 nan 0.000 0.266 125 P C 0.044 177.385 177.300 0.068 0.000 1.193 125 P CA -0.056 63.074 63.100 0.050 0.000 0.770 125 P CB 0.586 32.311 31.700 0.042 0.000 0.836 126 Q N 3.146 122.985 119.800 0.065 0.000 2.096 126 Q HA -0.212 4.127 4.340 -0.002 0.000 0.204 126 Q C 1.790 177.848 176.000 0.096 0.000 0.982 126 Q CA 2.597 58.451 55.803 0.085 0.000 0.850 126 Q CB -0.984 27.793 28.738 0.066 0.000 0.901 126 Q HN 0.519 nan 8.270 nan 0.000 0.422 127 S N -0.844 114.897 115.700 0.069 0.000 2.419 127 S HA -0.219 4.250 4.470 -0.002 0.000 0.233 127 S C 1.906 176.546 174.600 0.067 0.000 1.016 127 S CA 1.180 59.416 58.200 0.061 0.000 0.974 127 S CB -0.349 62.874 63.200 0.038 0.000 0.786 127 S HN 0.447 nan 8.310 nan 0.000 0.492 128 Q N 1.378 121.225 119.800 0.079 0.000 2.096 128 Q HA 0.072 4.411 4.340 -0.002 0.000 0.197 128 Q C 2.301 178.411 176.000 0.183 0.000 0.964 128 Q CA 1.439 57.296 55.803 0.091 0.000 0.838 128 Q CB -0.509 28.287 28.738 0.098 0.000 0.906 128 Q HN 0.728 nan 8.270 nan 0.000 0.444 129 Q N 0.141 120.061 119.800 0.200 0.000 2.112 129 Q HA -0.236 4.103 4.340 -0.002 0.000 0.206 129 Q C 1.957 178.140 176.000 0.306 0.000 0.987 129 Q CA 1.674 57.635 55.803 0.263 0.000 0.858 129 Q CB -0.241 28.672 28.738 0.291 0.000 0.905 129 Q HN 0.298 nan 8.270 nan 0.000 0.420 130 K N 1.305 121.857 120.400 0.253 0.000 2.103 130 K HA -0.195 4.124 4.320 -0.002 0.000 0.207 130 K C 1.792 178.484 176.600 0.154 0.000 1.048 130 K CA 1.340 57.770 56.287 0.239 0.000 0.930 130 K CB 0.103 32.693 32.500 0.150 0.000 0.716 130 K HN 0.072 nan 8.250 nan 0.000 0.444 131 K N -0.480 119.949 120.400 0.048 0.000 2.063 131 K HA -0.187 4.132 4.320 -0.002 0.000 0.208 131 K C 2.123 178.630 176.600 -0.156 0.000 1.048 131 K CA 1.876 58.107 56.287 -0.094 0.000 0.928 131 K CB -0.306 32.058 32.500 -0.226 0.000 0.713 131 K HN 0.203 nan 8.250 nan 0.000 0.442 132 Y N -0.371 119.819 120.300 -0.183 0.000 2.145 132 Y HA -0.223 4.326 4.550 -0.002 0.000 0.286 132 Y C 2.201 178.012 175.900 -0.147 0.000 1.145 132 Y CA 1.373 59.286 58.100 -0.312 0.000 1.148 132 Y CB -0.458 37.615 38.460 -0.644 0.000 0.981 132 Y HN 0.049 nan 8.280 nan 0.000 0.507 133 Y N -0.137 120.339 120.300 0.293 0.000 2.314 133 Y HA -0.179 4.370 4.550 -0.002 0.000 0.293 133 Y C 2.021 178.024 175.900 0.173 0.000 1.129 133 Y CA 0.880 59.114 58.100 0.224 0.000 1.201 133 Y CB -0.606 37.971 38.460 0.195 0.000 0.999 133 Y HN 0.135 nan 8.280 nan 0.000 0.541 134 D N -0.044 120.508 120.400 0.254 0.000 2.117 134 D HA -0.140 4.499 4.640 -0.002 0.000 0.197 134 D C 1.985 178.407 176.300 0.203 0.000 0.987 134 D CA 1.195 55.310 54.000 0.191 0.000 0.829 134 D CB -0.075 40.792 40.800 0.112 0.000 0.961 134 D HN 0.334 nan 8.370 nan 0.000 0.460 135 E N 0.525 120.818 120.200 0.156 0.000 2.047 135 E HA -0.118 4.231 4.350 -0.002 0.000 0.191 135 E C 2.376 179.161 176.600 0.309 0.000 0.987 135 E CA 0.182 56.694 56.400 0.186 0.000 0.799 135 E CB -0.421 29.324 29.700 0.075 0.000 0.752 135 E HN 0.295 nan 8.360 nan 0.000 0.449 136 L N 1.305 122.699 121.223 0.285 0.000 2.046 136 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 136 L C 2.188 179.335 176.870 0.461 0.000 1.077 136 L CA 1.507 56.537 54.840 0.317 0.000 0.747 136 L CB -0.070 42.088 42.059 0.165 0.000 0.896 136 L HN 0.058 nan 8.230 nan 0.000 0.432 137 E N -1.107 119.317 120.200 0.373 0.000 2.077 137 E HA -0.296 4.053 4.350 -0.002 0.000 0.193 137 E C 1.945 178.748 176.600 0.339 0.000 0.989 137 E CA 1.738 58.335 56.400 0.327 0.000 0.800 137 E CB -0.307 29.541 29.700 0.246 0.000 0.746 137 E HN 0.618 nan 8.360 nan 0.000 0.452 138 Y N -0.293 120.147 120.300 0.232 0.000 2.200 138 Y HA -0.248 4.301 4.550 -0.002 0.000 0.290 138 Y C 2.027 178.046 175.900 0.198 0.000 1.137 138 Y CA 1.656 59.862 58.100 0.177 0.000 1.163 138 Y CB -0.378 38.163 38.460 0.136 0.000 0.988 138 Y HN 0.139 nan 8.280 nan 0.000 0.518 139 W N 0.017 121.376 121.300 0.099 0.000 2.335 139 W HA -0.275 4.384 4.660 -0.002 0.000 0.311 139 W C 1.715 178.136 176.519 -0.164 0.000 1.213 139 W CA 2.430 59.736 57.345 -0.065 0.000 1.274 139 W CB -0.716 28.707 29.460 -0.061 0.000 1.148 139 W HN 0.105 nan 8.180 nan 0.000 0.498 140 F N 0.186 120.302 119.950 0.277 0.000 2.293 140 F HA -0.061 4.465 4.527 -0.001 0.000 0.300 140 F C 2.414 178.170 175.800 -0.073 0.000 1.086 140 F CA 1.502 59.586 58.000 0.140 0.000 1.375 140 F CB -0.575 38.553 39.000 0.213 0.000 1.045 140 F HN -0.253 nan 8.300 nan 0.000 0.516 141 R N -0.172 120.346 120.500 0.031 0.000 2.237 141 R HA -0.100 4.239 4.340 -0.002 0.000 0.219 141 R C 1.430 177.590 176.300 -0.233 0.000 1.080 141 R CA 0.679 56.725 56.100 -0.090 0.000 0.995 141 R CB -0.172 30.069 30.300 -0.099 0.000 0.875 141 R HN 0.250 nan 8.270 nan 0.000 0.462 142 Q N 0.575 120.133 119.800 -0.402 0.000 2.403 142 Q HA 0.008 4.347 4.340 -0.002 0.000 0.203 142 Q C -0.049 175.737 176.000 -0.357 0.000 0.932 142 Q CA 0.522 56.071 55.803 -0.425 0.000 0.945 142 Q CB 0.540 28.948 28.738 -0.551 0.000 1.045 142 Q HN 0.417 nan 8.270 nan 0.000 0.511 143 Q N -1.771 117.838 119.800 -0.318 0.000 2.605 143 Q HA 0.575 4.914 4.340 -0.002 0.000 0.296 143 Q C 0.369 176.310 176.000 -0.099 0.000 1.056 143 Q CA -0.538 55.117 55.803 -0.246 0.000 0.778 143 Q CB 0.734 29.232 28.738 -0.399 0.000 1.497 143 Q HN -0.088 nan 8.270 nan 0.000 0.443 144 S N -1.445 114.221 115.700 -0.057 0.000 2.593 144 S HA -0.020 4.449 4.470 -0.002 0.000 0.235 144 S C 1.465 175.986 174.600 -0.131 0.000 1.059 144 S CA 0.364 58.532 58.200 -0.054 0.000 0.953 144 S CB -0.137 63.041 63.200 -0.036 0.000 0.897 144 S HN 0.670 nan 8.310 nan 0.000 0.507 145 Q N 0.275 120.003 119.800 -0.121 0.000 2.170 145 Q HA -0.037 4.302 4.340 -0.002 0.000 0.203 145 Q C -0.634 175.030 176.000 -0.561 0.000 0.976 145 Q CA 1.005 56.569 55.803 -0.398 0.000 0.858 145 Q CB 0.034 28.584 28.738 -0.314 0.000 0.907 145 Q HN 0.711 nan 8.270 nan 0.000 0.433 146 W N 0.920 122.251 121.300 0.051 0.000 2.587 146 W HA 0.394 5.052 4.660 -0.002 0.000 0.324 146 W C -1.002 175.594 176.519 0.128 0.000 1.040 146 W CA -0.880 56.559 57.345 0.157 0.000 1.222 146 W CB 1.416 31.135 29.460 0.432 0.000 1.381 146 W HN -0.072 nan 8.180 nan 0.000 0.483 147 Q N 3.379 123.329 119.800 0.250 0.000 2.465 147 Q HA 0.293 4.632 4.340 -0.002 0.000 0.237 147 Q C -0.563 175.450 176.000 0.021 0.000 1.051 147 Q CA -0.936 54.927 55.803 0.100 0.000 0.874 147 Q CB 1.147 29.893 28.738 0.013 0.000 1.207 147 Q HN 0.364 nan 8.270 nan 0.000 0.508 148 L N 3.415 124.614 121.223 -0.041 0.000 2.500 148 L HA -0.000 4.339 4.340 -0.002 0.000 0.272 148 L C 0.410 177.120 176.870 -0.267 0.000 1.149 148 L CA 0.647 55.303 54.840 -0.307 0.000 0.897 148 L CB 0.703 42.426 42.059 -0.559 0.000 1.178 148 L HN 0.498 nan 8.230 nan 0.000 0.473 149 V N 3.796 123.465 119.914 -0.409 0.000 2.426 149 V HA 0.145 4.264 4.120 -0.002 0.000 0.242 149 V C 0.664 176.575 176.094 -0.306 0.000 1.036 149 V CA 0.937 62.980 62.300 -0.428 0.000 1.044 149 V CB -0.363 30.965 31.823 -0.825 0.000 0.688 149 V HN 0.826 nan 8.190 nan 0.000 0.462 150 E N -1.261 118.745 120.200 -0.323 0.000 2.343 150 E HA 0.675 5.024 4.350 -0.002 0.000 0.278 150 E C -1.244 175.368 176.600 0.019 0.000 0.910 150 E CA -0.343 56.032 56.400 -0.043 0.000 0.757 150 E CB 2.427 32.262 29.700 0.226 0.000 1.218 150 E HN 0.269 nan 8.360 nan 0.000 0.435 151 A N 3.408 126.265 122.820 0.061 0.000 2.357 151 A HA 0.669 4.988 4.320 -0.002 0.000 0.295 151 A C -0.879 176.709 177.584 0.006 0.000 1.121 151 A CA -0.626 51.517 52.037 0.176 0.000 0.742 151 A CB 0.680 19.726 19.000 0.077 0.000 1.181 151 A HN 0.599 nan 8.150 nan 0.000 0.454 152 K N 0.134 120.627 120.400 0.154 0.000 2.607 152 K HA 0.595 4.914 4.320 -0.002 0.000 0.287 152 K C -1.221 175.448 176.600 0.115 0.000 0.996 152 K CA -0.743 55.428 56.287 -0.194 0.000 0.876 152 K CB 1.086 33.549 32.500 -0.063 0.000 1.496 152 K HN 0.230 nan 8.250 nan 0.000 0.415 153 T N 2.555 117.145 114.554 0.061 0.000 2.729 153 T HA 0.300 4.649 4.350 -0.002 0.000 0.296 153 T C 0.483 175.188 174.700 0.007 0.000 0.928 153 T CA -0.704 61.498 62.100 0.170 0.000 1.045 153 T CB -0.384 68.612 68.868 0.214 0.000 0.902 153 T HN 0.484 nan 8.240 nan 0.000 0.500 154 I N 1.550 122.087 120.570 -0.056 0.000 2.662 154 I HA 0.503 4.672 4.170 -0.002 0.000 0.291 154 I C 0.938 176.963 176.117 -0.154 0.000 1.046 154 I CA -0.939 60.252 61.300 -0.182 0.000 1.361 154 I CB 0.671 38.481 38.000 -0.316 0.000 1.429 154 I HN 0.501 nan 8.210 nan 0.000 0.558 155 T N 1.798 116.242 114.554 -0.184 0.000 2.828 155 T HA 0.301 4.650 4.350 -0.002 0.000 0.290 155 T C 1.263 175.829 174.700 -0.223 0.000 1.019 155 T CA -0.188 61.802 62.100 -0.183 0.000 1.031 155 T CB 1.233 69.982 68.868 -0.198 0.000 1.001 155 T HN 0.862 nan 8.240 nan 0.000 0.531 156 G N 0.781 109.457 108.800 -0.207 0.000 2.422 156 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.218 156 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.218 156 G C 1.482 176.220 174.900 -0.271 0.000 1.140 156 G CA 0.152 45.120 45.100 -0.219 0.000 0.775 156 G HN 0.725 nan 8.290 nan 0.000 0.545 157 N N 1.483 120.000 118.700 -0.305 0.000 2.120 157 N HA -0.091 4.648 4.740 -0.002 0.000 0.188 157 N C 1.676 176.950 175.510 -0.394 0.000 1.024 157 N CA 1.317 54.153 53.050 -0.356 0.000 0.852 157 N CB -0.314 37.956 38.487 -0.360 0.000 1.003 157 N HN 0.226 nan 8.380 nan 0.000 0.424 158 D N 0.970 121.129 120.400 -0.403 0.000 2.097 158 D HA -0.158 4.481 4.640 -0.002 0.000 0.195 158 D C 1.773 177.669 176.300 -0.673 0.000 0.989 158 D CA 0.808 54.463 54.000 -0.576 0.000 0.827 158 D CB -0.265 40.264 40.800 -0.451 0.000 0.966 158 D HN 0.463 nan 8.370 nan 0.000 0.456 159 E N 0.490 120.437 120.200 -0.422 0.000 2.085 159 E HA -0.180 4.169 4.350 -0.002 0.000 0.194 159 E C 2.006 178.462 176.600 -0.241 0.000 0.994 159 E CA 1.070 57.256 56.400 -0.356 0.000 0.801 159 E CB 0.017 29.453 29.700 -0.440 0.000 0.743 159 E HN 0.176 nan 8.360 nan 0.000 0.453 160 A N 1.101 123.773 122.820 -0.247 0.000 1.883 160 A HA -0.197 4.122 4.320 -0.002 0.000 0.217 160 A C 2.152 179.660 177.584 -0.127 0.000 1.186 160 A CA 1.472 53.420 52.037 -0.149 0.000 0.624 160 A CB -0.785 18.102 19.000 -0.189 0.000 0.822 160 A HN 0.397 nan 8.150 nan 0.000 0.444 161 L N -1.143 119.891 121.223 -0.315 0.000 2.013 161 L HA -0.161 4.178 4.340 -0.002 0.000 0.212 161 L C 2.154 178.969 176.870 -0.092 0.000 1.073 161 L CA 2.181 56.824 54.840 -0.328 0.000 0.753 161 L CB -0.899 40.772 42.059 -0.647 0.000 0.890 161 L HN 0.332 nan 8.230 nan 0.000 0.432 162 F N 0.223 120.175 119.950 0.003 0.000 2.186 162 F HA -0.149 4.377 4.527 -0.001 0.000 0.299 162 F C 2.377 178.279 175.800 0.170 0.000 1.090 162 F CA 1.117 59.188 58.000 0.117 0.000 1.307 162 F CB -1.255 37.921 39.000 0.295 0.000 1.019 162 F HN 0.197 nan 8.300 nan 0.000 0.489 163 D N -0.958 119.635 120.400 0.321 0.000 2.104 163 D HA -0.250 4.389 4.640 -0.002 0.000 0.194 163 D C 2.069 178.513 176.300 0.239 0.000 0.994 163 D CA 1.276 55.432 54.000 0.260 0.000 0.830 163 D CB -0.793 40.116 40.800 0.182 0.000 0.959 163 D HN 0.420 nan 8.370 nan 0.000 0.452 164 W N 1.365 122.695 121.300 0.051 0.000 2.381 164 W HA -0.062 4.597 4.660 -0.001 0.000 0.301 164 W C 2.160 178.698 176.519 0.031 0.000 1.205 164 W CA 0.946 58.308 57.345 0.029 0.000 1.285 164 W CB -0.338 29.111 29.460 -0.017 0.000 1.133 164 W HN -0.098 nan 8.180 nan 0.000 0.521 165 L N 0.274 121.686 121.223 0.315 0.000 2.046 165 L HA -0.195 4.144 4.340 -0.002 0.000 0.208 165 L C 2.727 179.609 176.870 0.019 0.000 1.077 165 L CA 1.412 56.346 54.840 0.156 0.000 0.747 165 L CB -1.341 40.849 42.059 0.219 0.000 0.896 165 L HN 0.077 nan 8.230 nan 0.000 0.432 166 A N -0.410 122.444 122.820 0.056 0.000 1.877 166 A HA -0.160 4.159 4.320 -0.002 0.000 0.216 166 A C 2.323 179.901 177.584 -0.011 0.000 1.186 166 A CA 1.922 53.971 52.037 0.020 0.000 0.620 166 A CB -0.829 18.207 19.000 0.059 0.000 0.822 166 A HN 0.195 nan 8.150 nan 0.000 0.443 167 V N 0.485 120.347 119.914 -0.085 0.000 2.307 167 V HA -0.248 3.871 4.120 -0.002 0.000 0.245 167 V C 2.189 178.080 176.094 -0.338 0.000 1.045 167 V CA 2.325 64.511 62.300 -0.191 0.000 1.024 167 V CB -1.106 30.594 31.823 -0.204 0.000 0.651 167 V HN 0.620 nan 8.190 nan 0.000 0.449 168 N N -0.904 117.513 118.700 -0.473 0.000 2.244 168 N HA -0.179 4.560 4.740 -0.002 0.000 0.183 168 N C 1.719 177.061 175.510 -0.280 0.000 1.016 168 N CA 1.264 53.988 53.050 -0.543 0.000 0.866 168 N CB -0.363 37.552 38.487 -0.954 0.000 0.980 168 N HN 0.627 nan 8.380 nan 0.000 0.430 169 Y N 1.491 121.645 120.300 -0.242 0.000 2.181 169 Y HA -0.237 4.312 4.550 -0.002 0.000 0.288 169 Y C 2.491 178.306 175.900 -0.143 0.000 1.146 169 Y CA 2.314 60.334 58.100 -0.132 0.000 1.164 169 Y CB -0.441 37.966 38.460 -0.088 0.000 0.982 169 Y HN 0.056 nan 8.280 nan 0.000 0.515 170 K N 0.669 121.023 120.400 -0.076 0.000 2.097 170 K HA -0.042 4.277 4.320 -0.002 0.000 0.206 170 K C 1.847 178.307 176.600 -0.235 0.000 1.049 170 K CA 1.877 58.085 56.287 -0.132 0.000 0.933 170 K CB -1.368 31.097 32.500 -0.060 0.000 0.717 170 K HN 0.575 nan 8.250 nan 0.000 0.442 171 L N 0.005 121.050 121.223 -0.297 0.000 2.554 171 L HA 0.053 4.392 4.340 -0.002 0.000 0.226 171 L C 0.466 177.167 176.870 -0.283 0.000 1.137 171 L CA 0.306 54.952 54.840 -0.322 0.000 0.863 171 L CB -0.263 41.519 42.059 -0.462 0.000 0.985 171 L HN 0.469 nan 8.230 nan 0.000 0.451 172 D N 0.816 121.029 120.400 -0.312 0.000 2.723 172 D HA -0.182 4.457 4.640 -0.002 0.000 0.236 172 D C 0.949 177.105 176.300 -0.240 0.000 1.138 172 D CA 1.121 54.939 54.000 -0.302 0.000 0.676 172 D CB -0.687 39.954 40.800 -0.264 0.000 1.069 172 D HN 0.485 nan 8.370 nan 0.000 0.430 173 T N -3.304 111.108 114.554 -0.236 0.000 3.085 173 T HA 0.320 4.669 4.350 -0.002 0.000 0.264 173 T C 1.966 176.595 174.700 -0.118 0.000 1.019 173 T CA -0.210 61.780 62.100 -0.183 0.000 0.910 173 T CB 0.021 68.755 68.868 -0.222 0.000 1.059 173 T HN 0.279 nan 8.240 nan 0.000 0.542 174 L N 0.060 121.230 121.223 -0.088 0.000 2.298 174 L HA 0.330 4.669 4.340 -0.002 0.000 0.209 174 L C 2.497 179.435 176.870 0.114 0.000 1.084 174 L CA 0.469 55.363 54.840 0.090 0.000 0.816 174 L CB -0.152 42.075 42.059 0.280 0.000 0.967 174 L HN 0.137 nan 8.230 nan 0.000 0.460 175 K N -0.425 119.877 120.400 -0.165 0.000 2.439 175 K HA 0.082 4.401 4.320 -0.002 0.000 0.197 175 K C 0.241 176.784 176.600 -0.095 0.000 1.041 175 K CA 0.285 56.390 56.287 -0.303 0.000 0.970 175 K CB 0.230 32.401 32.500 -0.548 0.000 0.773 175 K HN 0.108 nan 8.250 nan 0.000 0.479 176 S N 0.341 116.009 115.700 -0.053 0.000 2.548 176 S HA 0.281 4.750 4.470 -0.002 0.000 0.286 176 S C -0.464 174.142 174.600 0.010 0.000 1.098 176 S CA -0.864 57.322 58.200 -0.024 0.000 0.930 176 S CB 2.597 65.768 63.200 -0.049 0.000 1.070 176 S HN -0.166 nan 8.310 nan 0.000 0.480 177 V N 3.737 123.663 119.914 0.019 0.000 2.529 177 V HA 0.057 4.176 4.120 -0.002 0.000 0.292 177 V C 0.957 177.061 176.094 0.015 0.000 1.028 177 V CA 0.471 62.788 62.300 0.028 0.000 1.074 177 V CB 0.744 32.581 31.823 0.024 0.000 0.958 177 V HN 0.847 nan 8.190 nan 0.000 0.481 178 Q N 3.634 123.449 119.800 0.026 0.000 2.287 178 Q HA 0.058 4.397 4.340 -0.002 0.000 0.201 178 Q C 1.856 177.861 176.000 0.008 0.000 0.946 178 Q CA 1.342 57.152 55.803 0.012 0.000 0.868 178 Q CB -0.423 28.329 28.738 0.023 0.000 0.967 178 Q HN 1.119 nan 8.270 nan 0.000 0.516 179 N N -0.385 118.324 118.700 0.015 0.000 2.679 179 N HA -0.228 4.511 4.740 -0.002 0.000 0.208 179 N C 0.682 176.194 175.510 0.003 0.000 1.118 179 N CA 1.769 54.823 53.050 0.007 0.000 1.882 179 N CB -1.756 nan 38.487 nan 0.000 0.903 179 N HN 0.492 nan 8.380 nan 0.000 0.525 180 K N 0.843 121.244 120.400 0.002 0.000 2.205 180 K HA 0.779 5.098 4.320 -0.002 0.000 0.279 180 K C 0.455 177.060 176.600 0.009 0.000 1.027 180 K CA 0.497 56.781 56.287 -0.005 0.000 0.932 180 K CB 1.181 33.675 32.500 -0.011 0.000 1.032 180 K HN 1.586 nan 8.250 nan 0.000 0.466 181 S N 1.573 117.266 115.700 -0.012 0.000 2.452 181 S HA 0.488 4.957 4.470 -0.002 0.000 0.284 181 S C -0.496 174.085 174.600 -0.032 0.000 1.171 181 S CA -0.530 57.671 58.200 0.001 0.000 1.064 181 S CB 0.197 63.375 63.200 -0.037 0.000 0.967 181 S HN 0.491 nan 8.310 nan 0.000 0.484 182 V N 5.073 125.032 119.914 0.076 0.000 2.398 182 V HA 0.712 4.831 4.120 -0.002 0.000 0.286 182 V C 0.925 177.124 176.094 0.174 0.000 1.026 182 V CA -0.456 61.886 62.300 0.070 0.000 0.868 182 V CB 1.268 33.105 31.823 0.023 0.000 0.982 182 V HN 0.963 nan 8.190 nan 0.000 0.443 183 G N 3.161 111.910 108.800 -0.086 0.000 2.448 183 G HA2 0.683 4.642 3.960 -0.002 0.000 0.324 183 G HA3 0.683 4.642 3.960 -0.002 0.000 0.324 183 G C -1.333 173.818 174.900 0.417 0.000 1.203 183 G CA -0.551 44.535 45.100 -0.023 0.000 0.954 183 G HN 0.548 nan 8.290 nan 0.000 0.480 184 V N 1.947 122.233 119.914 0.619 0.000 2.656 184 V HA 0.584 4.703 4.120 -0.002 0.000 0.307 184 V C -0.138 176.251 176.094 0.492 0.000 1.051 184 V CA -0.552 62.066 62.300 0.530 0.000 0.893 184 V CB 1.840 33.886 31.823 0.373 0.000 0.999 184 V HN 0.759 nan 8.190 nan 0.000 0.426 185 M N 3.501 123.321 119.600 0.367 0.000 2.321 185 M HA 0.474 4.953 4.480 -0.002 0.000 0.315 185 M C -1.397 175.012 176.300 0.181 0.000 1.052 185 M CA -0.490 54.950 55.300 0.232 0.000 0.936 185 M CB 2.027 34.710 32.600 0.138 0.000 1.639 185 M HN 0.641 nan 8.290 nan 0.000 0.433 186 D N 4.040 124.536 120.400 0.160 0.000 2.349 186 D HA 0.329 4.968 4.640 -0.002 0.000 0.232 186 D C -0.850 175.526 176.300 0.126 0.000 1.071 186 D CA -0.331 53.745 54.000 0.127 0.000 0.832 186 D CB 0.985 41.845 40.800 0.101 0.000 1.086 186 D HN 0.389 nan 8.370 nan 0.000 0.504 187 M N 3.630 123.298 119.600 0.112 0.000 2.923 187 M HA 0.341 4.820 4.480 -0.002 0.000 0.311 187 M C 0.678 177.069 176.300 0.151 0.000 1.376 187 M CA -0.488 54.907 55.300 0.158 0.000 1.468 187 M CB 0.163 32.852 32.600 0.149 0.000 1.151 187 M HN 0.375 nan 8.290 nan 0.000 0.517 188 G N 0.671 109.547 108.800 0.128 0.000 2.588 188 G HA2 0.486 4.445 3.960 -0.002 0.000 0.281 188 G HA3 0.486 4.445 3.960 -0.002 0.000 0.281 188 G C 0.838 175.783 174.900 0.074 0.000 1.236 188 G CA -0.270 44.884 45.100 0.089 0.000 0.969 188 G HN 0.683 nan 8.290 nan 0.000 0.504 189 G N -0.976 107.852 108.800 0.046 0.000 2.408 189 G HA2 0.213 4.172 3.960 -0.002 0.000 0.215 189 G HA3 0.213 4.172 3.960 -0.002 0.000 0.215 189 G C 1.383 176.279 174.900 -0.007 0.000 1.156 189 G CA 1.706 46.814 45.100 0.013 0.000 0.793 189 G HN 0.941 nan 8.290 nan 0.000 0.535 190 A N -0.477 122.352 122.820 0.015 0.000 2.074 190 A HA 0.551 4.870 4.320 -0.002 0.000 0.200 190 A C 1.246 178.850 177.584 0.033 0.000 1.335 190 A CA 1.141 53.185 52.037 0.012 0.000 0.922 190 A CB 0.268 19.281 19.000 0.021 0.000 0.972 190 A HN 0.668 nan 8.150 nan 0.000 0.475 191 S N -0.593 115.131 115.700 0.040 0.000 2.599 191 S HA 0.709 5.178 4.470 -0.002 0.000 0.294 191 S C -0.589 174.066 174.600 0.091 0.000 1.094 191 S CA -0.063 58.175 58.200 0.062 0.000 0.931 191 S CB 1.478 64.694 63.200 0.026 0.000 1.093 191 S HN 1.249 nan 8.310 nan 0.000 0.488 192 V N -0.670 119.332 119.914 0.147 0.000 2.715 192 V HA 0.851 4.970 4.120 -0.002 0.000 0.310 192 V C -1.227 174.987 176.094 0.201 0.000 1.054 192 V CA -0.708 61.704 62.300 0.187 0.000 0.928 192 V CB 1.214 33.175 31.823 0.230 0.000 1.007 192 V HN 0.884 nan 8.190 nan 0.000 0.437 193 Q N 2.633 122.530 119.800 0.162 0.000 2.387 193 Q HA 0.778 5.117 4.340 -0.002 0.000 0.273 193 Q C -0.989 175.108 176.000 0.162 0.000 1.089 193 Q CA -0.358 55.514 55.803 0.115 0.000 0.824 193 Q CB 2.760 31.512 28.738 0.024 0.000 1.367 193 Q HN 0.985 nan 8.270 nan 0.000 0.443 194 I N 0.785 121.426 120.570 0.118 0.000 2.686 194 I HA 0.795 4.964 4.170 -0.002 0.000 0.295 194 I C -1.726 174.464 176.117 0.123 0.000 1.114 194 I CA -1.040 60.334 61.300 0.124 0.000 1.038 194 I CB 1.806 39.737 38.000 -0.115 0.000 1.238 194 I HN 0.482 nan 8.210 nan 0.000 0.420 195 V N 8.207 128.272 119.914 0.252 0.000 2.817 195 V HA 0.715 4.834 4.120 -0.002 0.000 0.303 195 V C -1.880 174.342 176.094 0.214 0.000 1.151 195 V CA -0.256 62.067 62.300 0.038 0.000 0.929 195 V CB 1.911 33.729 31.823 -0.008 0.000 1.030 195 V HN 0.721 nan 8.190 nan 0.000 0.427 196 F N 4.154 124.103 119.950 -0.002 0.000 2.693 196 F HA 0.910 5.435 4.527 -0.003 0.000 0.309 196 F C -3.142 172.562 175.800 -0.161 0.000 1.129 196 F CA -2.642 55.325 58.000 -0.055 0.000 0.948 196 F CB 1.190 40.171 39.000 -0.032 0.000 1.315 196 F HN 0.299 nan 8.300 nan 0.000 0.447 197 P HA 0.291 nan 4.420 nan 0.000 0.268 197 P C -0.856 176.485 177.300 0.069 0.000 1.204 197 P CA 0.016 63.079 63.100 -0.062 0.000 0.768 197 P CB 0.681 32.382 31.700 0.001 0.000 0.842 198 M N 3.952 123.535 119.600 -0.029 0.000 2.294 198 M HA 0.376 4.855 4.480 -0.002 0.000 0.280 198 M C -3.032 173.252 176.300 -0.026 0.000 1.085 198 M CA -2.194 53.120 55.300 0.022 0.000 0.969 198 M CB 2.296 34.922 32.600 0.043 0.000 1.770 198 M HN 0.070 nan 8.290 nan 0.000 0.485 199 P HA 0.056 nan 4.420 nan 0.000 0.268 199 P C -1.388 175.895 177.300 -0.028 0.000 1.208 199 P CA -0.033 63.051 63.100 -0.026 0.000 0.777 199 P CB 0.453 32.144 31.700 -0.015 0.000 0.875 200 K N 2.596 122.974 120.400 -0.038 0.000 2.511 200 K HA -0.011 4.308 4.320 -0.002 0.000 0.280 200 K C -0.034 176.552 176.600 -0.024 0.000 1.008 200 K CA 0.389 56.654 56.287 -0.038 0.000 1.050 200 K CB -0.085 32.388 32.500 -0.045 0.000 0.889 200 K HN 0.365 nan 8.250 nan 0.000 0.484 201 N N 3.186 121.875 118.700 -0.017 0.000 2.461 201 N HA 0.230 4.969 4.740 -0.002 0.000 0.284 201 N C -0.155 175.349 175.510 -0.011 0.000 1.049 201 N CA -0.231 52.814 53.050 -0.009 0.000 0.889 201 N CB 1.818 40.307 38.487 0.003 0.000 1.365 201 N HN 0.581 nan 8.380 nan 0.000 0.499 202 A N 3.213 126.025 122.820 -0.013 0.000 2.067 202 A HA -0.045 4.274 4.320 -0.002 0.000 0.219 202 A C 1.288 178.867 177.584 -0.008 0.000 1.158 202 A CA 1.197 53.225 52.037 -0.016 0.000 0.661 202 A CB -0.136 18.855 19.000 -0.016 0.000 0.801 202 A HN 0.798 nan 8.150 nan 0.000 0.452 203 E N -0.670 119.531 120.200 0.001 0.000 2.489 203 E HA 0.131 4.480 4.350 -0.002 0.000 0.193 203 E C -0.313 176.300 176.600 0.022 0.000 1.057 203 E CA -0.078 56.327 56.400 0.009 0.000 0.866 203 E CB 0.258 29.964 29.700 0.010 0.000 0.916 203 E HN 0.412 nan 8.360 nan 0.000 0.500 204 I N 0.511 121.096 120.570 0.025 0.000 2.493 204 I HA 0.117 4.286 4.170 -0.002 0.000 0.298 204 I C 0.483 176.617 176.117 0.028 0.000 0.998 204 I CA -0.835 60.498 61.300 0.055 0.000 1.137 204 I CB 1.677 39.733 38.000 0.094 0.000 1.310 204 I HN -0.119 nan 8.210 nan 0.000 0.445 205 S N 4.214 119.937 115.700 0.038 0.000 2.573 205 S HA 0.004 4.473 4.470 -0.002 0.000 0.297 205 S C 1.466 176.019 174.600 -0.078 0.000 1.280 205 S CA 0.637 58.836 58.200 -0.001 0.000 1.061 205 S CB 0.517 63.742 63.200 0.041 0.000 0.812 205 S HN 0.784 nan 8.310 nan 0.000 0.500 206 K N 3.967 124.261 120.400 -0.176 0.000 2.211 206 K HA -0.132 4.187 4.320 -0.002 0.000 0.204 206 K C 1.752 178.156 176.600 -0.326 0.000 1.047 206 K CA 2.128 58.253 56.287 -0.271 0.000 0.935 206 K CB -1.179 31.115 32.500 -0.343 0.000 0.728 206 K HN 0.927 nan 8.250 nan 0.000 0.452 207 H N -0.215 118.762 119.070 -0.154 0.000 2.495 207 H HA 0.018 4.573 4.556 -0.002 0.000 0.287 207 H C 0.865 176.012 175.328 -0.302 0.000 1.033 207 H CA 1.328 57.251 56.048 -0.208 0.000 1.307 207 H CB 0.163 29.806 29.762 -0.199 0.000 1.401 207 H HN 0.633 nan 8.280 nan 0.000 0.555 208 N N 0.600 119.164 118.700 -0.226 0.000 2.268 208 N HA 0.043 4.782 4.740 -0.002 0.000 0.204 208 N C -0.364 174.865 175.510 -0.467 0.000 1.124 208 N CA 0.015 52.790 53.050 -0.458 0.000 0.838 208 N CB 0.581 38.781 38.487 -0.478 0.000 0.994 208 N HN 0.308 nan 8.380 nan 0.000 0.489 209 Q N 0.420 120.041 119.800 -0.298 0.000 2.347 209 Q HA 0.557 4.896 4.340 -0.002 0.000 0.271 209 Q C -1.326 174.523 176.000 -0.251 0.000 1.064 209 Q CA -0.783 54.873 55.803 -0.246 0.000 0.800 209 Q CB 3.089 31.742 28.738 -0.141 0.000 1.304 209 Q HN -0.087 nan 8.270 nan 0.000 0.438 210 V N 1.435 121.188 119.914 -0.269 0.000 2.735 210 V HA 0.444 4.563 4.120 -0.002 0.000 0.310 210 V C -0.767 175.203 176.094 -0.206 0.000 1.061 210 V CA -0.813 61.339 62.300 -0.248 0.000 0.913 210 V CB 2.224 33.855 31.823 -0.319 0.000 1.005 210 V HN 0.736 nan 8.190 nan 0.000 0.428 211 E N 3.711 123.824 120.200 -0.145 0.000 2.210 211 E HA 0.760 5.109 4.350 -0.002 0.000 0.266 211 E C -1.472 175.093 176.600 -0.059 0.000 0.883 211 E CA -0.646 55.691 56.400 -0.106 0.000 0.761 211 E CB 2.372 32.026 29.700 -0.077 0.000 1.156 211 E HN 0.542 nan 8.360 nan 0.000 0.412 212 L N 0.214 121.409 121.223 -0.047 0.000 2.600 212 L HA 0.639 4.978 4.340 -0.002 0.000 0.257 212 L C -1.340 175.536 176.870 0.010 0.000 1.048 212 L CA -0.867 53.984 54.840 0.019 0.000 0.869 212 L CB 1.468 43.571 42.059 0.074 0.000 1.482 212 L HN 0.379 nan 8.230 nan 0.000 0.408 213 N N 1.352 120.066 118.700 0.023 0.000 2.399 213 N HA 0.640 5.379 4.740 -0.002 0.000 0.284 213 N C -1.884 173.628 175.510 0.003 0.000 1.025 213 N CA -0.308 52.751 53.050 0.015 0.000 0.885 213 N CB 1.676 40.166 38.487 0.004 0.000 1.339 213 N HN 0.695 nan 8.380 nan 0.000 0.487 214 I N 3.813 124.390 120.570 0.012 0.000 2.533 214 I HA 0.243 4.412 4.170 -0.002 0.000 0.290 214 I C -0.368 175.748 176.117 -0.002 0.000 1.056 214 I CA -0.361 60.893 61.300 -0.076 0.000 1.057 214 I CB 1.077 39.054 38.000 -0.039 0.000 1.240 214 I HN 0.568 nan 8.210 nan 0.000 0.423 215 Y N 4.658 124.983 120.300 0.041 0.000 3.396 215 Y HA -0.227 4.322 4.550 -0.002 0.000 0.214 215 Y C 1.513 177.427 175.900 0.022 0.000 1.203 215 Y CA 1.325 59.441 58.100 0.026 0.000 1.401 215 Y CB -1.913 36.559 38.460 0.021 0.000 1.409 215 Y HN 0.986 nan 8.280 nan 0.000 0.594 216 G N -0.873 107.990 108.800 0.104 0.000 2.179 216 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.260 216 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.260 216 G C 0.145 175.083 174.900 0.062 0.000 0.977 216 G CA 0.303 45.446 45.100 0.073 0.000 0.641 216 G HN 0.853 nan 8.290 nan 0.000 0.533 217 Q N 0.242 120.089 119.800 0.078 0.000 2.316 217 Q HA 0.664 5.003 4.340 -0.002 0.000 0.264 217 Q C -0.690 175.338 176.000 0.048 0.000 0.987 217 Q CA -1.138 54.703 55.803 0.064 0.000 0.852 217 Q CB 1.249 30.037 28.738 0.082 0.000 1.287 217 Q HN 0.089 nan 8.270 nan 0.000 0.448 218 N N 2.930 121.646 118.700 0.026 0.000 2.497 218 N HA 0.255 4.994 4.740 -0.002 0.000 0.268 218 N C -0.762 174.748 175.510 0.000 0.000 1.171 218 N CA 0.164 53.218 53.050 0.006 0.000 0.948 218 N CB 0.546 39.029 38.487 -0.005 0.000 1.069 218 N HN 0.547 nan 8.380 nan 0.000 0.460 219 I N 1.816 122.370 120.570 -0.027 0.000 2.545 219 I HA 0.323 4.492 4.170 -0.002 0.000 0.292 219 I C -0.278 175.756 176.117 -0.139 0.000 1.040 219 I CA -0.539 60.715 61.300 -0.077 0.000 1.068 219 I CB 1.749 39.699 38.000 -0.083 0.000 1.251 219 I HN 0.299 nan 8.210 nan 0.000 0.424 220 N N 6.893 125.491 118.700 -0.169 0.000 2.399 220 N HA 0.595 5.334 4.740 -0.002 0.000 0.280 220 N C -1.210 174.138 175.510 -0.269 0.000 1.008 220 N CA -0.456 52.482 53.050 -0.186 0.000 0.894 220 N CB 2.890 41.306 38.487 -0.117 0.000 1.273 220 N HN 0.384 nan 8.380 nan 0.000 0.486 221 L N 1.925 122.941 121.223 -0.345 0.000 2.354 221 L HA 0.439 4.778 4.340 -0.002 0.000 0.269 221 L C -0.733 175.914 176.870 -0.370 0.000 1.005 221 L CA -1.051 53.518 54.840 -0.452 0.000 0.819 221 L CB 1.666 43.326 42.059 -0.666 0.000 1.311 221 L HN 0.455 nan 8.230 nan 0.000 0.423 222 Y N 2.832 122.786 120.300 -0.577 0.000 2.316 222 Y HA 0.545 5.095 4.550 -0.001 0.000 0.331 222 Y C -0.348 175.186 175.900 -0.611 0.000 1.083 222 Y CA -0.662 57.070 58.100 -0.613 0.000 1.206 222 Y CB 1.245 39.166 38.460 -0.897 0.000 1.195 222 Y HN 0.263 nan 8.280 nan 0.000 0.497 223 V N 3.353 122.608 119.914 -1.098 0.000 2.735 223 V HA 0.656 4.775 4.120 -0.002 0.000 0.310 223 V C -1.436 174.152 176.094 -0.843 0.000 1.061 223 V CA -0.753 61.087 62.300 -0.767 0.000 0.913 223 V CB 1.708 33.209 31.823 -0.537 0.000 1.005 223 V HN 0.957 nan 8.190 nan 0.000 0.428 224 H N 1.143 119.886 119.070 -0.546 0.000 3.046 224 H HA 0.760 5.315 4.556 -0.002 0.000 0.363 224 H C -1.075 174.011 175.328 -0.403 0.000 1.203 224 H CA 0.014 55.772 56.048 -0.484 0.000 1.169 224 H CB 2.267 31.837 29.762 -0.321 0.000 1.851 224 H HN 1.060 nan 8.280 nan 0.000 0.546 225 S N 2.855 118.368 115.700 -0.312 0.000 2.541 225 S HA 0.549 5.018 4.470 -0.002 0.000 0.280 225 S C -1.871 172.479 174.600 -0.416 0.000 1.112 225 S CA -0.595 57.458 58.200 -0.245 0.000 0.925 225 S CB 0.606 63.693 63.200 -0.188 0.000 1.067 225 S HN 0.403 nan 8.310 nan 0.000 0.479 226 F N 3.685 123.713 119.950 0.131 0.000 2.366 226 F HA 0.457 4.983 4.527 -0.002 0.000 0.366 226 F C -0.178 175.645 175.800 0.038 0.000 1.096 226 F CA -0.770 57.289 58.000 0.097 0.000 1.060 226 F CB 1.334 40.319 39.000 -0.024 0.000 1.282 226 F HN 0.398 nan 8.300 nan 0.000 0.450 227 L N 3.545 124.891 121.223 0.205 0.000 2.360 227 L HA 0.610 4.949 4.340 -0.002 0.000 0.276 227 L C 0.921 177.923 176.870 0.220 0.000 1.121 227 L CA 0.753 55.684 54.840 0.152 0.000 0.845 227 L CB 0.420 42.543 42.059 0.106 0.000 1.143 227 L HN 0.854 nan 8.230 nan 0.000 0.452 228 G N 3.730 112.612 108.800 0.137 0.000 2.234 228 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.235 228 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.235 228 G C 0.730 175.671 174.900 0.069 0.000 0.997 228 G CA 0.294 45.476 45.100 0.138 0.000 0.623 228 G HN 0.567 nan 8.290 nan 0.000 0.514 229 L N 1.758 122.974 121.223 -0.010 0.000 2.591 229 L HA 0.323 4.662 4.340 -0.002 0.000 0.228 229 L C 2.026 178.950 176.870 0.090 0.000 1.133 229 L CA 0.324 55.141 54.840 -0.037 0.000 0.880 229 L CB -0.291 41.649 42.059 -0.198 0.000 1.033 229 L HN 0.393 nan 8.230 nan 0.000 0.450 230 G N 0.139 108.977 108.800 0.063 0.000 2.647 230 G HA2 -0.099 3.860 3.960 -0.002 0.000 0.234 230 G HA3 -0.099 3.860 3.960 -0.002 0.000 0.234 230 G C 0.930 175.775 174.900 -0.093 0.000 1.252 230 G CA -0.094 45.038 45.100 0.052 0.000 0.846 230 G HN 0.475 nan 8.290 nan 0.000 0.589 231 Q N 0.010 119.723 119.800 -0.143 0.000 2.124 231 Q HA -0.120 4.219 4.340 -0.002 0.000 0.202 231 Q C 2.040 177.838 176.000 -0.337 0.000 0.977 231 Q CA 1.977 57.516 55.803 -0.440 0.000 0.850 231 Q CB -0.433 28.098 28.738 -0.344 0.000 0.901 231 Q HN 0.449 nan 8.270 nan 0.000 0.429 232 T N 1.071 115.498 114.554 -0.211 0.000 2.732 232 T HA -0.080 4.269 4.350 -0.002 0.000 0.261 232 T C 1.603 176.023 174.700 -0.467 0.000 1.040 232 T CA 1.188 63.149 62.100 -0.232 0.000 1.145 232 T CB -0.114 68.688 68.868 -0.110 0.000 0.866 232 T HN 0.304 nan 8.240 nan 0.000 0.427 233 E N 1.577 121.577 120.200 -0.335 0.000 2.051 233 E HA -0.144 4.205 4.350 -0.002 0.000 0.192 233 E C 2.270 178.717 176.600 -0.255 0.000 0.991 233 E CA 1.313 57.506 56.400 -0.345 0.000 0.799 233 E CB -0.464 29.175 29.700 -0.102 0.000 0.748 233 E HN 0.627 nan 8.360 nan 0.000 0.449 234 M N 0.806 120.313 119.600 -0.154 0.000 2.213 234 M HA -0.085 4.394 4.480 -0.002 0.000 0.263 234 M C 2.135 178.491 176.300 0.094 0.000 1.062 234 M CA 2.294 57.592 55.300 -0.003 0.000 1.105 234 M CB -0.852 31.727 32.600 -0.036 0.000 1.385 234 M HN -0.019 nan 8.290 nan 0.000 0.417 235 S N -0.477 115.180 115.700 -0.072 0.000 2.419 235 S HA -0.198 4.271 4.470 -0.002 0.000 0.233 235 S C 1.710 176.464 174.600 0.256 0.000 1.016 235 S CA 1.383 59.640 58.200 0.094 0.000 0.974 235 S CB -1.576 61.616 63.200 -0.013 0.000 0.786 235 S HN 0.795 nan 8.310 nan 0.000 0.492 236 H N 0.724 119.847 119.070 0.088 0.000 2.545 236 H HA 0.085 4.640 4.556 -0.002 0.000 0.282 236 H C 1.752 177.070 175.328 -0.016 0.000 1.020 236 H CA 0.863 56.939 56.048 0.047 0.000 1.243 236 H CB 0.108 29.888 29.762 0.030 0.000 1.377 236 H HN 0.432 nan 8.280 nan 0.000 0.581 237 Q N -0.379 119.435 119.800 0.023 0.000 2.408 237 Q HA 0.024 4.363 4.340 -0.002 0.000 0.205 237 Q C 0.538 176.210 176.000 -0.547 0.000 0.919 237 Q CA 0.542 56.152 55.803 -0.322 0.000 0.932 237 Q CB 0.463 28.856 28.738 -0.575 0.000 1.058 237 Q HN 0.512 nan 8.270 nan 0.000 0.517 238 F N -0.700 119.308 119.950 0.097 0.000 2.706 238 F HA 0.212 4.738 4.527 -0.002 0.000 0.313 238 F C 1.555 177.508 175.800 0.254 0.000 1.096 238 F CA -0.118 57.956 58.000 0.124 0.000 1.219 238 F CB 0.208 39.241 39.000 0.056 0.000 1.051 238 F HN -0.097 nan 8.300 nan 0.000 0.568 239 L N -0.236 121.164 121.223 0.296 0.000 2.275 239 L HA -0.142 4.197 4.340 -0.002 0.000 0.215 239 L C 0.798 177.703 176.870 0.058 0.000 1.119 239 L CA 1.460 56.423 54.840 0.205 0.000 0.790 239 L CB -0.508 41.607 42.059 0.092 0.000 0.919 239 L HN 0.211 nan 8.230 nan 0.000 0.443 240 N N -1.230 117.526 118.700 0.093 0.000 2.238 240 N HA 0.065 4.804 4.740 -0.002 0.000 0.222 240 N C -0.251 175.329 175.510 0.117 0.000 1.133 240 N CA -0.258 52.823 53.050 0.051 0.000 0.854 240 N CB 0.663 39.156 38.487 0.010 0.000 1.041 240 N HN 0.001 nan 8.380 nan 0.000 0.510 241 S N 1.925 117.767 115.700 0.237 0.000 2.399 241 S HA 0.155 4.624 4.470 -0.002 0.000 0.301 241 S C -1.635 173.130 174.600 0.275 0.000 1.093 241 S CA -1.161 57.184 58.200 0.242 0.000 1.077 241 S CB 1.153 64.541 63.200 0.313 0.000 0.980 241 S HN 0.172 nan 8.310 nan 0.000 0.494 242 P HA -0.008 nan 4.420 nan 0.000 0.221 242 P C 1.018 178.400 177.300 0.137 0.000 1.150 242 P CA 0.736 63.943 63.100 0.179 0.000 0.800 242 P CB 0.083 31.846 31.700 0.104 0.000 0.787 243 S N -1.362 114.387 115.700 0.083 0.000 2.507 243 S HA -0.083 4.386 4.470 -0.002 0.000 0.235 243 S C 1.488 176.044 174.600 -0.074 0.000 0.988 243 S CA 0.807 59.008 58.200 0.001 0.000 0.944 243 S CB -0.947 62.254 63.200 0.001 0.000 0.762 243 S HN 0.258 nan 8.310 nan 0.000 0.526 244 c N 0.858 119.415 118.600 -0.071 0.000 2.791 244 c HA 0.462 5.031 4.570 -0.002 0.000 0.270 244 c C 0.143 173.692 174.090 -0.901 0.000 1.257 244 c CA -0.664 55.420 56.329 -0.408 0.000 1.699 244 c CB -1.583 40.683 42.510 -0.408 0.000 1.904 244 c HN 0.336 nan 8.230 nan 0.000 0.603 245 F N 0.006 119.897 119.950 -0.099 0.000 2.599 245 F HA 0.604 5.130 4.527 -0.001 0.000 0.311 245 F C 0.513 176.264 175.800 -0.081 0.000 1.076 245 F CA -0.833 57.069 58.000 -0.163 0.000 0.937 245 F CB 0.553 39.441 39.000 -0.187 0.000 1.282 245 F HN -0.035 nan 8.300 nan 0.000 0.460 246 A N 1.520 124.405 122.820 0.108 0.000 2.547 246 A HA 0.149 4.468 4.320 -0.002 0.000 0.233 246 A C 0.113 177.838 177.584 0.235 0.000 1.067 246 A CA -0.421 51.733 52.037 0.194 0.000 0.763 246 A CB -0.149 19.086 19.000 0.392 0.000 1.007 246 A HN 0.709 nan 8.150 nan 0.000 0.506 247 N N 1.742 120.555 118.700 0.188 0.000 2.359 247 N HA 0.066 4.805 4.740 -0.002 0.000 0.261 247 N C -0.106 175.552 175.510 0.246 0.000 1.267 247 N CA 1.074 54.229 53.050 0.175 0.000 0.864 247 N CB 0.202 38.772 38.487 0.139 0.000 1.063 247 N HN 0.577 nan 8.380 nan 0.000 0.474 248 D N -0.288 120.227 120.400 0.192 0.000 3.028 248 D HA -0.267 4.372 4.640 -0.002 0.000 0.207 248 D C -0.206 176.208 176.300 0.189 0.000 1.100 248 D CA 0.713 54.818 54.000 0.175 0.000 0.995 248 D CB -1.715 39.190 40.800 0.175 0.000 1.108 248 D HN 0.653 nan 8.370 nan 0.000 0.421 249 Y N 2.480 122.817 120.300 0.062 0.000 2.526 249 Y HA 0.279 4.828 4.550 -0.001 0.000 0.330 249 Y C -1.924 173.868 175.900 -0.180 0.000 1.156 249 Y CA -1.127 56.844 58.100 -0.214 0.000 1.419 249 Y CB 0.817 39.037 38.460 -0.400 0.000 1.250 249 Y HN -0.148 nan 8.280 nan 0.000 0.540 250 P HA 0.118 nan 4.420 nan 0.000 0.279 250 P C -0.852 176.090 177.300 -0.596 0.000 1.318 250 P CA 0.220 62.968 63.100 -0.586 0.000 0.819 250 P CB 0.452 31.860 31.700 -0.488 0.000 0.927 251 L N 6.395 127.452 121.223 -0.277 0.000 2.436 251 L HA 0.180 4.519 4.340 -0.002 0.000 0.265 251 L C -0.781 175.984 176.870 -0.175 0.000 1.168 251 L CA -1.936 52.785 54.840 -0.197 0.000 0.815 251 L CB 0.017 42.010 42.059 -0.110 0.000 1.109 251 L HN 0.152 nan 8.230 nan 0.000 0.462 252 P HA -0.183 nan 4.420 nan 0.000 0.217 252 P C 0.639 177.887 177.300 -0.088 0.000 1.148 252 P CA 1.164 64.196 63.100 -0.113 0.000 0.828 252 P CB -0.053 31.595 31.700 -0.087 0.000 0.783 253 D N -1.944 118.413 120.400 -0.072 0.000 2.349 253 D HA 0.059 4.698 4.640 -0.002 0.000 0.224 253 D C 1.470 177.738 176.300 -0.052 0.000 1.029 253 D CA 0.811 54.780 54.000 -0.052 0.000 0.879 253 D CB -0.803 39.976 40.800 -0.036 0.000 0.906 253 D HN 0.275 nan 8.370 nan 0.000 0.528 254 G N -0.496 108.263 108.800 -0.068 0.000 2.213 254 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.226 254 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.226 254 G C 0.193 175.061 174.900 -0.053 0.000 0.992 254 G CA -0.018 45.044 45.100 -0.063 0.000 0.632 254 G HN 0.348 nan 8.290 nan 0.000 0.511 255 E N 0.733 120.908 120.200 -0.042 0.000 2.376 255 E HA 0.599 4.948 4.350 -0.002 0.000 0.254 255 E C 0.083 176.667 176.600 -0.026 0.000 1.213 255 E CA 0.007 56.394 56.400 -0.022 0.000 0.945 255 E CB 0.923 30.622 29.700 -0.002 0.000 1.057 255 E HN 0.195 nan 8.360 nan 0.000 0.479 256 S N -0.382 115.321 115.700 0.005 0.000 2.509 256 S HA 0.501 4.970 4.470 -0.002 0.000 0.297 256 S C 0.158 174.803 174.600 0.074 0.000 1.118 256 S CA -0.700 57.515 58.200 0.024 0.000 1.074 256 S CB 1.601 64.822 63.200 0.036 0.000 1.038 256 S HN 0.562 nan 8.310 nan 0.000 0.498 257 G N 0.862 109.740 108.800 0.129 0.000 2.484 257 G HA2 0.284 4.243 3.960 -0.002 0.000 0.235 257 G HA3 0.284 4.243 3.960 -0.002 0.000 0.235 257 G C -0.311 174.665 174.900 0.127 0.000 1.282 257 G CA 0.029 45.246 45.100 0.194 0.000 0.857 257 G HN 0.624 nan 8.290 nan 0.000 0.571 258 Q N 1.443 121.298 119.800 0.091 0.000 3.662 258 Q HA 0.343 4.682 4.340 -0.002 0.000 0.237 258 Q C 0.333 176.302 176.000 -0.051 0.000 0.895 258 Q CA -0.586 55.236 55.803 0.031 0.000 0.767 258 Q CB 0.337 29.100 28.738 0.040 0.000 1.469 258 Q HN 0.804 nan 8.270 nan 0.000 0.424 259 G N 1.805 110.532 108.800 -0.123 0.000 2.441 259 G HA2 0.214 4.173 3.960 -0.002 0.000 0.243 259 G HA3 0.214 4.173 3.960 -0.002 0.000 0.243 259 G C -0.328 174.318 174.900 -0.423 0.000 1.281 259 G CA -0.054 44.916 45.100 -0.217 0.000 0.854 259 G HN 0.518 nan 8.290 nan 0.000 0.560 260 N N 0.171 118.727 118.700 -0.239 0.000 2.655 260 N HA 0.404 5.143 4.740 -0.002 0.000 0.277 260 N C 0.750 176.222 175.510 -0.063 0.000 1.177 260 N CA 0.156 53.131 53.050 -0.125 0.000 0.882 260 N CB 1.343 39.830 38.487 0.000 0.000 1.481 260 N HN 0.442 nan 8.380 nan 0.000 0.547 261 A N 4.426 127.221 122.820 -0.040 0.000 1.883 261 A HA -0.006 4.313 4.320 -0.002 0.000 0.217 261 A C -0.726 176.790 177.584 -0.113 0.000 1.186 261 A CA 1.666 53.650 52.037 -0.088 0.000 0.624 261 A CB -1.179 17.773 19.000 -0.079 0.000 0.822 261 A HN 0.644 nan 8.150 nan 0.000 0.444 262 P HA -0.092 nan 4.420 nan 0.000 0.216 262 P C 1.660 178.921 177.300 -0.065 0.000 1.150 262 P CA 1.763 64.801 63.100 -0.102 0.000 0.837 262 P CB -0.090 31.570 31.700 -0.068 0.000 0.786 263 S N -1.311 114.366 115.700 -0.039 0.000 2.371 263 S HA -0.163 4.306 4.470 -0.002 0.000 0.224 263 S C 2.101 176.683 174.600 -0.031 0.000 1.029 263 S CA 1.215 59.403 58.200 -0.020 0.000 0.978 263 S CB -1.433 61.765 63.200 -0.002 0.000 0.833 263 S HN 0.271 nan 8.310 nan 0.000 0.466 264 c N 2.407 120.967 118.600 -0.068 0.000 2.432 264 c HA -0.045 4.524 4.570 -0.002 0.000 0.277 264 c C 2.709 176.717 174.090 -0.136 0.000 1.249 264 c CA 1.300 57.563 56.329 -0.110 0.000 1.725 264 c CB -1.096 41.306 42.510 -0.180 0.000 2.028 264 c HN 0.603 nan 8.230 nan 0.000 0.477 265 K N 0.431 120.752 120.400 -0.131 0.000 2.044 265 K HA -0.244 4.075 4.320 -0.002 0.000 0.210 265 K C 1.905 178.465 176.600 -0.065 0.000 1.049 265 K CA 2.306 58.526 56.287 -0.113 0.000 0.927 265 K CB -0.413 32.014 32.500 -0.122 0.000 0.713 265 K HN 0.654 nan 8.250 nan 0.000 0.443 266 E N 0.302 120.479 120.200 -0.039 0.000 2.118 266 E HA -0.189 4.160 4.350 -0.002 0.000 0.195 266 E C 2.041 178.656 176.600 0.025 0.000 0.992 266 E CA 1.488 57.885 56.400 -0.005 0.000 0.804 266 E CB 0.045 29.746 29.700 0.001 0.000 0.741 266 E HN 0.428 nan 8.360 nan 0.000 0.458 267 E N 0.140 120.368 120.200 0.048 0.000 2.047 267 E HA -0.149 4.200 4.350 -0.002 0.000 0.191 267 E C 2.221 178.949 176.600 0.214 0.000 0.987 267 E CA 1.081 57.576 56.400 0.158 0.000 0.799 267 E CB 0.098 29.949 29.700 0.252 0.000 0.752 267 E HN 0.082 nan 8.360 nan 0.000 0.449 268 V N 1.149 121.070 119.914 0.010 0.000 2.343 268 V HA -0.243 3.876 4.120 -0.002 0.000 0.247 268 V C 2.310 178.416 176.094 0.019 0.000 1.051 268 V CA 2.062 64.312 62.300 -0.083 0.000 1.036 268 V CB -0.734 30.890 31.823 -0.330 0.000 0.654 268 V HN 0.322 nan 8.190 nan 0.000 0.451 269 T N -0.070 114.473 114.554 -0.019 0.000 2.759 269 T HA -0.198 4.151 4.350 -0.002 0.000 0.269 269 T C 2.129 176.838 174.700 0.014 0.000 1.042 269 T CA 1.872 63.955 62.100 -0.027 0.000 1.140 269 T CB -0.272 68.579 68.868 -0.029 0.000 0.864 269 T HN 0.527 nan 8.240 nan 0.000 0.455 270 S N 1.266 116.999 115.700 0.055 0.000 2.368 270 S HA -0.058 4.411 4.470 -0.002 0.000 0.225 270 S C 1.925 176.576 174.600 0.084 0.000 1.030 270 S CA 0.803 59.041 58.200 0.062 0.000 0.999 270 S CB -0.484 62.758 63.200 0.071 0.000 0.844 270 S HN 0.325 nan 8.310 nan 0.000 0.459 271 L N 1.542 122.852 121.223 0.145 0.000 2.046 271 L HA 0.009 4.348 4.340 -0.002 0.000 0.208 271 L C 2.126 179.105 176.870 0.183 0.000 1.077 271 L CA 1.767 56.718 54.840 0.184 0.000 0.747 271 L CB -0.599 41.641 42.059 0.301 0.000 0.896 271 L HN 0.282 nan 8.230 nan 0.000 0.432 272 M N -0.680 118.974 119.600 0.090 0.000 2.132 272 M HA -0.160 4.319 4.480 -0.002 0.000 0.263 272 M C 1.669 177.958 176.300 -0.018 0.000 1.065 272 M CA 1.668 56.958 55.300 -0.016 0.000 1.122 272 M CB -0.413 32.086 32.600 -0.169 0.000 1.365 272 M HN 0.318 nan 8.290 nan 0.000 0.411 273 N N -0.634 118.058 118.700 -0.013 0.000 2.409 273 N HA 0.047 4.786 4.740 -0.002 0.000 0.174 273 N C 1.609 177.130 175.510 0.018 0.000 1.037 273 N CA 0.869 53.911 53.050 -0.014 0.000 0.898 273 N CB 0.074 38.545 38.487 -0.027 0.000 1.010 273 N HN 0.144 nan 8.380 nan 0.000 0.445 274 S N -0.292 115.424 115.700 0.027 0.000 2.439 274 S HA 0.106 4.575 4.470 -0.002 0.000 0.224 274 S C 2.032 176.639 174.600 0.012 0.000 1.029 274 S CA 0.208 58.421 58.200 0.022 0.000 0.946 274 S CB 0.389 63.602 63.200 0.021 0.000 0.797 274 S HN 0.014 nan 8.310 nan 0.000 0.504 275 V N 0.980 120.899 119.914 0.008 0.000 2.436 275 V HA 0.025 4.144 4.120 -0.002 0.000 0.240 275 V C 1.793 177.811 176.094 -0.126 0.000 1.040 275 V CA 1.036 63.287 62.300 -0.082 0.000 1.052 275 V CB -0.471 31.273 31.823 -0.132 0.000 0.707 275 V HN 0.495 nan 8.190 nan 0.000 0.469 276 H N 0.325 119.426 119.070 0.052 0.000 2.551 276 H HA 0.172 4.727 4.556 -0.002 0.000 0.266 276 H C 0.580 175.974 175.328 0.110 0.000 0.964 276 H CA 0.228 56.338 56.048 0.105 0.000 1.180 276 H CB 0.204 29.981 29.762 0.025 0.000 1.408 276 H HN 0.390 nan 8.280 nan 0.000 0.563 277 K N 0.414 120.888 120.400 0.123 0.000 3.096 277 K HA -0.149 4.170 4.320 -0.002 0.000 0.266 277 K C 1.102 177.743 176.600 0.069 0.000 1.043 277 K CA 0.275 56.619 56.287 0.095 0.000 0.758 277 K CB -1.645 30.932 32.500 0.129 0.000 1.260 277 K HN 0.055 nan 8.250 nan 0.000 0.481 278 V N 0.677 120.530 119.914 -0.102 0.000 2.237 278 V HA -0.299 3.820 4.120 -0.002 0.000 0.245 278 V C 2.446 178.514 176.094 -0.043 0.000 1.046 278 V CA 2.330 64.469 62.300 -0.267 0.000 1.007 278 V CB -0.386 31.088 31.823 -0.583 0.000 0.638 278 V HN 0.597 nan 8.190 nan 0.000 0.445 279 N N 0.117 118.786 118.700 -0.052 0.000 2.069 279 N HA -0.249 4.490 4.740 -0.002 0.000 0.191 279 N C 1.932 177.458 175.510 0.026 0.000 1.031 279 N CA 2.036 55.080 53.050 -0.010 0.000 0.852 279 N CB -0.019 38.448 38.487 -0.033 0.000 1.018 279 N HN 0.567 nan 8.380 nan 0.000 0.423 280 Q N 0.445 120.265 119.800 0.033 0.000 2.181 280 Q HA -0.095 4.244 4.340 -0.002 0.000 0.205 280 Q C 2.084 178.128 176.000 0.073 0.000 0.980 280 Q CA 1.501 57.334 55.803 0.049 0.000 0.862 280 Q CB -0.070 28.699 28.738 0.053 0.000 0.905 280 Q HN 0.545 nan 8.270 nan 0.000 0.429 281 Q N -0.986 118.878 119.800 0.107 0.000 2.204 281 Q HA 0.036 4.375 4.340 -0.002 0.000 0.198 281 Q C 1.586 177.659 176.000 0.121 0.000 0.946 281 Q CA 0.563 56.454 55.803 0.148 0.000 0.859 281 Q CB 0.371 29.239 28.738 0.217 0.000 0.946 281 Q HN 0.326 nan 8.270 nan 0.000 0.474 282 I N 0.275 120.921 120.570 0.127 0.000 2.810 282 I HA -0.118 4.051 4.170 -0.002 0.000 0.262 282 I C 2.330 178.484 176.117 0.061 0.000 1.131 282 I CA 0.823 62.203 61.300 0.134 0.000 1.453 282 I CB -1.077 37.060 38.000 0.227 0.000 1.161 282 I HN 0.235 nan 8.210 nan 0.000 0.444 283 Q N 1.697 121.527 119.800 0.050 0.000 2.096 283 Q HA -0.163 4.176 4.340 -0.002 0.000 0.204 283 Q C -0.554 175.437 176.000 -0.015 0.000 0.982 283 Q CA 2.073 57.884 55.803 0.013 0.000 0.850 283 Q CB -1.170 27.573 28.738 0.008 0.000 0.901 283 Q HN 0.260 nan 8.270 nan 0.000 0.422 284 P HA -0.109 nan 4.420 nan 0.000 0.217 284 P C 1.463 178.741 177.300 -0.037 0.000 1.150 284 P CA 1.105 64.194 63.100 -0.019 0.000 0.832 284 P CB -0.192 31.503 31.700 -0.007 0.000 0.787 285 L N -1.636 119.558 121.223 -0.049 0.000 2.056 285 L HA -0.127 4.212 4.340 -0.002 0.000 0.207 285 L C 2.488 179.315 176.870 -0.071 0.000 1.078 285 L CA 1.186 55.991 54.840 -0.059 0.000 0.749 285 L CB -0.868 41.096 42.059 -0.159 0.000 0.901 285 L HN -0.025 nan 8.230 nan 0.000 0.433 286 L N -0.399 120.724 121.223 -0.167 0.000 2.093 286 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 286 L C 2.898 179.663 176.870 -0.175 0.000 1.085 286 L CA 1.011 55.647 54.840 -0.340 0.000 0.755 286 L CB -0.571 41.309 42.059 -0.298 0.000 0.904 286 L HN 0.252 nan 8.230 nan 0.000 0.435 287 A N 0.218 122.980 122.820 -0.096 0.000 1.903 287 A HA -0.232 4.087 4.320 -0.002 0.000 0.219 287 A C 2.092 179.642 177.584 -0.057 0.000 1.191 287 A CA 1.782 53.782 52.037 -0.061 0.000 0.638 287 A CB -0.712 18.265 19.000 -0.039 0.000 0.823 287 A HN 0.444 nan 8.150 nan 0.000 0.451 288 L N -1.008 120.183 121.223 -0.052 0.000 2.509 288 L HA 0.080 4.419 4.340 -0.002 0.000 0.222 288 L C 0.084 176.934 176.870 -0.033 0.000 1.123 288 L CA 0.184 55.003 54.840 -0.035 0.000 0.856 288 L CB -0.110 41.935 42.059 -0.023 0.000 0.985 288 L HN 0.336 nan 8.230 nan 0.000 0.456 289 N N 0.166 118.833 118.700 -0.057 0.000 2.765 289 N HA 0.258 4.997 4.740 -0.002 0.000 0.277 289 N C -2.568 172.864 175.510 -0.130 0.000 1.750 289 N CA -0.973 52.052 53.050 -0.041 0.000 0.827 289 N CB 1.115 39.647 38.487 0.074 0.000 1.200 289 N HN -0.076 nan 8.380 nan 0.000 0.494 290 P HA 0.021 nan 4.420 nan 0.000 0.265 290 P C 0.029 177.218 177.300 -0.185 0.000 1.193 290 P CA 0.039 63.054 63.100 -0.140 0.000 0.765 290 P CB 1.005 32.656 31.700 -0.083 0.000 0.823 291 V N 4.113 123.857 119.914 -0.283 0.000 2.439 291 V HA 0.126 4.245 4.120 -0.002 0.000 0.282 291 V C 1.225 177.125 176.094 -0.323 0.000 1.039 291 V CA 0.098 62.136 62.300 -0.436 0.000 0.913 291 V CB 1.027 32.233 31.823 -1.028 0.000 0.983 291 V HN 0.512 nan 8.190 nan 0.000 0.460 292 N N 2.584 121.142 118.700 -0.237 0.000 2.336 292 N HA 0.069 4.808 4.740 -0.002 0.000 0.177 292 N C 0.070 175.505 175.510 -0.125 0.000 1.018 292 N CA 0.552 53.521 53.050 -0.135 0.000 0.878 292 N CB 0.433 38.876 38.487 -0.073 0.000 0.997 292 N HN 0.702 nan 8.380 nan 0.000 0.433 293 E N -0.768 119.330 120.200 -0.171 0.000 2.275 293 E HA 0.217 4.566 4.350 -0.002 0.000 0.270 293 E C -1.492 175.022 176.600 -0.143 0.000 0.882 293 E CA -0.512 55.850 56.400 -0.063 0.000 0.758 293 E CB 1.641 31.394 29.700 0.087 0.000 1.195 293 E HN 0.108 nan 8.360 nan 0.000 0.419 294 W N 2.001 123.307 121.300 0.011 0.000 2.520 294 W HA 0.420 5.078 4.660 -0.002 0.000 0.323 294 W C -0.648 175.786 176.519 -0.141 0.000 1.062 294 W CA -0.456 56.903 57.345 0.023 0.000 1.215 294 W CB 1.061 30.505 29.460 -0.025 0.000 1.340 294 W HN 0.463 nan 8.180 nan 0.000 0.516 295 Y N 1.809 122.346 120.300 0.395 0.000 2.409 295 Y HA 0.482 5.031 4.550 -0.002 0.000 0.343 295 Y C 0.214 176.250 175.900 0.226 0.000 0.973 295 Y CA -0.909 57.338 58.100 0.245 0.000 1.064 295 Y CB 2.395 40.917 38.460 0.104 0.000 1.207 295 Y HN 0.216 nan 8.280 nan 0.000 0.452 296 S N 4.372 120.231 115.700 0.266 0.000 2.513 296 S HA 0.814 5.283 4.470 -0.002 0.000 0.299 296 S C -0.851 173.844 174.600 0.158 0.000 1.087 296 S CA -0.581 57.719 58.200 0.166 0.000 1.012 296 S CB 0.349 63.562 63.200 0.021 0.000 1.044 296 S HN 0.604 nan 8.310 nan 0.000 0.485 297 I N 1.048 121.698 120.570 0.133 0.000 3.067 297 I HA 0.986 5.155 4.170 -0.002 0.000 0.312 297 I C 0.704 176.869 176.117 0.080 0.000 1.073 297 I CA -0.583 60.789 61.300 0.119 0.000 1.016 297 I CB 1.310 39.396 38.000 0.143 0.000 1.227 297 I HN 0.932 nan 8.210 nan 0.000 0.456 298 G N 1.951 110.798 108.800 0.078 0.000 2.475 298 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.223 298 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.223 298 G C 0.559 175.468 174.900 0.015 0.000 1.201 298 G CA -0.039 45.100 45.100 0.065 0.000 0.962 298 G HN 1.325 nan 8.290 nan 0.000 0.586 299 G N -0.137 108.679 108.800 0.028 0.000 2.534 299 G HA2 0.246 4.205 3.960 -0.002 0.000 0.217 299 G HA3 0.246 4.205 3.960 -0.002 0.000 0.217 299 G C 1.838 176.677 174.900 -0.102 0.000 1.128 299 G CA 1.298 46.410 45.100 0.020 0.000 0.784 299 G HN 0.740 nan 8.290 nan 0.000 0.542 300 I N 0.768 121.138 120.570 -0.334 0.000 2.208 300 I HA -0.220 3.949 4.170 -0.002 0.000 0.245 300 I C 2.974 178.699 176.117 -0.654 0.000 1.097 300 I CA 1.341 62.225 61.300 -0.693 0.000 1.363 300 I CB -0.144 37.342 38.000 -0.857 0.000 1.051 300 I HN 0.261 nan 8.210 nan 0.000 0.413 301 S N 0.793 116.211 115.700 -0.470 0.000 2.382 301 S HA -0.205 4.264 4.470 -0.002 0.000 0.228 301 S C 1.626 176.073 174.600 -0.255 0.000 1.027 301 S CA 2.021 59.966 58.200 -0.425 0.000 0.991 301 S CB -0.530 62.656 63.200 -0.022 0.000 0.823 301 S HN 0.502 nan 8.310 nan 0.000 0.469 302 N N 0.779 119.381 118.700 -0.164 0.000 2.120 302 N HA -0.065 4.674 4.740 -0.002 0.000 0.188 302 N C 1.830 177.267 175.510 -0.121 0.000 1.024 302 N CA 1.417 54.423 53.050 -0.074 0.000 0.852 302 N CB -0.254 38.202 38.487 -0.052 0.000 1.003 302 N HN 0.357 nan 8.380 nan 0.000 0.424 303 L N 0.804 121.850 121.223 -0.296 0.000 2.005 303 L HA -0.036 4.303 4.340 -0.002 0.000 0.207 303 L C 2.201 178.734 176.870 -0.563 0.000 1.072 303 L CA 1.148 55.623 54.840 -0.609 0.000 0.744 303 L CB -0.347 41.320 42.059 -0.654 0.000 0.895 303 L HN 0.121 nan 8.230 nan 0.000 0.433 304 A N -1.189 121.296 122.820 -0.558 0.000 2.076 304 A HA -0.162 4.157 4.320 -0.002 0.000 0.220 304 A C 2.251 179.849 177.584 0.023 0.000 1.160 304 A CA 1.856 53.688 52.037 -0.341 0.000 0.653 304 A CB -0.602 17.833 19.000 -0.942 0.000 0.801 304 A HN 0.551 nan 8.150 nan 0.000 0.455 305 S N -0.359 115.329 115.700 -0.020 0.000 2.527 305 S HA 0.065 4.534 4.470 -0.002 0.000 0.222 305 S C 1.143 175.838 174.600 0.158 0.000 0.985 305 S CA 0.459 58.725 58.200 0.110 0.000 0.921 305 S CB -0.246 63.013 63.200 0.099 0.000 0.772 305 S HN 0.623 nan 8.310 nan 0.000 0.529 306 S N 1.485 117.291 115.700 0.177 0.000 2.563 306 S HA 0.001 4.470 4.470 -0.002 0.000 0.284 306 S C 1.249 175.963 174.600 0.190 0.000 1.331 306 S CA -0.340 58.009 58.200 0.247 0.000 1.047 306 S CB 0.460 63.906 63.200 0.411 0.000 0.859 306 S HN 0.188 nan 8.310 nan 0.000 0.514 307 Q N 2.838 122.697 119.800 0.099 0.000 2.364 307 Q HA 0.057 4.396 4.340 -0.002 0.000 0.207 307 Q C 1.693 177.657 176.000 -0.060 0.000 0.970 307 Q CA 0.926 56.756 55.803 0.045 0.000 0.888 307 Q CB -0.314 28.476 28.738 0.087 0.000 0.951 307 Q HN 0.717 nan 8.270 nan 0.000 0.469 308 L N -0.900 120.239 121.223 -0.140 0.000 2.341 308 L HA 0.064 4.403 4.340 -0.002 0.000 0.214 308 L C 0.196 176.836 176.870 -0.384 0.000 1.115 308 L CA 0.278 54.949 54.840 -0.283 0.000 0.820 308 L CB 0.115 41.968 42.059 -0.342 0.000 0.944 308 L HN 0.058 nan 8.230 nan 0.000 0.452 309 F N -1.811 118.098 119.950 -0.069 0.000 2.432 309 F HA 0.300 4.826 4.527 -0.002 0.000 0.329 309 F C 0.288 175.985 175.800 -0.171 0.000 1.076 309 F CA -0.621 57.276 58.000 -0.171 0.000 1.018 309 F CB 0.941 39.883 39.000 -0.097 0.000 1.201 309 F HN -0.151 nan 8.300 nan 0.000 0.489 310 H N 2.437 121.284 119.070 -0.371 0.000 2.887 310 H HA 0.512 5.067 4.556 -0.002 0.000 0.300 310 H C -1.828 173.179 175.328 -0.534 0.000 1.038 310 H CA -1.009 54.862 56.048 -0.296 0.000 1.352 310 H CB 0.194 29.838 29.762 -0.196 0.000 1.473 310 H HN 0.339 nan 8.280 nan 0.000 0.503 311 F N 2.140 122.001 119.950 -0.148 0.000 2.565 311 F HA 0.457 4.983 4.527 -0.002 0.000 0.313 311 F C 0.110 175.802 175.800 -0.180 0.000 1.091 311 F CA -0.806 57.104 58.000 -0.151 0.000 0.915 311 F CB 2.129 41.165 39.000 0.060 0.000 1.208 311 F HN 0.453 nan 8.300 nan 0.000 0.453 312 E N 0.534 120.741 120.200 0.013 0.000 2.320 312 E HA 0.438 4.787 4.350 -0.002 0.000 0.264 312 E C -0.532 176.062 176.600 -0.009 0.000 0.923 312 E CA -0.785 55.605 56.400 -0.016 0.000 0.796 312 E CB 1.063 30.726 29.700 -0.062 0.000 1.262 312 E HN 0.571 nan 8.360 nan 0.000 0.428 313 N N 0.700 119.385 118.700 -0.024 0.000 2.782 313 N HA -0.233 4.506 4.740 -0.002 0.000 0.251 313 N C -0.509 174.911 175.510 -0.149 0.000 1.101 313 N CA 1.153 54.171 53.050 -0.054 0.000 0.764 313 N CB -1.402 37.062 38.487 -0.039 0.000 1.122 313 N HN 0.522 nan 8.380 nan 0.000 0.561 314 S N -0.595 114.962 115.700 -0.238 0.000 3.614 314 S HA -0.257 4.212 4.470 -0.002 0.000 0.360 314 S C 0.086 174.040 174.600 -1.076 0.000 1.023 314 S CA 1.859 59.631 58.200 -0.713 0.000 1.114 314 S CB -0.954 61.969 63.200 -0.462 0.000 0.907 314 S HN 0.793 nan 8.310 nan 0.000 0.470 315 E N -0.412 119.430 120.200 -0.596 0.000 2.449 315 E HA 0.741 5.090 4.350 -0.002 0.000 0.278 315 E C -0.678 175.850 176.600 -0.121 0.000 0.992 315 E CA -1.210 54.950 56.400 -0.400 0.000 0.807 315 E CB 1.057 30.494 29.700 -0.438 0.000 1.350 315 E HN 0.427 nan 8.360 nan 0.000 0.462 316 L N -2.188 118.915 121.223 -0.200 0.000 2.600 316 L HA 0.768 5.107 4.340 -0.002 0.000 0.257 316 L C -0.614 176.161 176.870 -0.157 0.000 1.048 316 L CA -0.604 54.095 54.840 -0.235 0.000 0.869 316 L CB 1.611 43.194 42.059 -0.795 0.000 1.482 316 L HN 0.776 nan 8.230 nan 0.000 0.408 317 T N -3.307 111.223 114.554 -0.041 0.000 2.912 317 T HA 0.466 4.815 4.350 -0.002 0.000 0.288 317 T C 0.325 175.020 174.700 -0.009 0.000 1.030 317 T CA -0.361 61.714 62.100 -0.042 0.000 1.020 317 T CB 1.375 70.249 68.868 0.009 0.000 1.056 317 T HN 0.704 nan 8.240 nan 0.000 0.480 318 N N 0.225 118.892 118.700 -0.054 0.000 2.166 318 N HA -0.124 4.615 4.740 -0.002 0.000 0.186 318 N C 1.969 177.632 175.510 0.256 0.000 1.019 318 N CA 0.899 53.954 53.050 0.008 0.000 0.856 318 N CB -0.113 38.204 38.487 -0.283 0.000 0.993 318 N HN 0.715 nan 8.380 nan 0.000 0.426 319 Q N 0.379 120.298 119.800 0.199 0.000 2.050 319 Q HA -0.164 4.175 4.340 -0.002 0.000 0.202 319 Q C 1.951 178.062 176.000 0.185 0.000 0.980 319 Q CA 1.427 57.371 55.803 0.235 0.000 0.840 319 Q CB -0.222 28.600 28.738 0.140 0.000 0.898 319 Q HN 0.324 nan 8.270 nan 0.000 0.424 320 S N 0.131 115.943 115.700 0.186 0.000 2.383 320 S HA -0.138 4.331 4.470 -0.002 0.000 0.227 320 S C 1.962 176.751 174.600 0.314 0.000 1.026 320 S CA 1.008 59.341 58.200 0.222 0.000 0.981 320 S CB -0.299 63.061 63.200 0.267 0.000 0.818 320 S HN 0.425 nan 8.310 nan 0.000 0.472 321 L N 1.337 122.781 121.223 0.368 0.000 2.012 321 L HA 0.033 4.372 4.340 -0.002 0.000 0.210 321 L C 2.160 179.212 176.870 0.302 0.000 1.073 321 L CA 1.810 56.893 54.840 0.404 0.000 0.748 321 L CB -0.896 41.266 42.059 0.171 0.000 0.891 321 L HN 0.425 nan 8.230 nan 0.000 0.431 322 L N -0.603 120.736 121.223 0.193 0.000 2.056 322 L HA -0.218 4.121 4.340 -0.002 0.000 0.207 322 L C 2.644 179.536 176.870 0.037 0.000 1.078 322 L CA 2.051 56.907 54.840 0.026 0.000 0.749 322 L CB -0.725 41.152 42.059 -0.303 0.000 0.901 322 L HN 0.581 nan 8.230 nan 0.000 0.433 323 Q N -1.047 118.790 119.800 0.061 0.000 2.050 323 Q HA -0.260 4.079 4.340 -0.002 0.000 0.202 323 Q C 2.154 178.183 176.000 0.049 0.000 0.980 323 Q CA 1.977 57.803 55.803 0.039 0.000 0.840 323 Q CB -0.132 28.629 28.738 0.038 0.000 0.898 323 Q HN 0.655 nan 8.270 nan 0.000 0.424 324 Q N -0.673 119.184 119.800 0.095 0.000 2.084 324 Q HA -0.115 4.224 4.340 -0.002 0.000 0.202 324 Q C 2.052 178.036 176.000 -0.026 0.000 0.978 324 Q CA 1.195 57.003 55.803 0.008 0.000 0.844 324 Q CB -0.229 28.532 28.738 0.038 0.000 0.898 324 Q HN 0.549 nan 8.270 nan 0.000 0.426 325 G N 0.962 109.891 108.800 0.214 0.000 2.418 325 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.217 325 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.217 325 G C 1.004 175.949 174.900 0.075 0.000 1.158 325 G CA 1.106 46.328 45.100 0.203 0.000 0.771 325 G HN 0.273 nan 8.290 nan 0.000 0.545 326 D N 0.532 120.973 120.400 0.068 0.000 2.097 326 D HA -0.090 4.549 4.640 -0.002 0.000 0.195 326 D C 2.313 178.694 176.300 0.135 0.000 0.989 326 D CA 0.945 55.006 54.000 0.101 0.000 0.827 326 D CB -0.120 40.729 40.800 0.081 0.000 0.966 326 D HN 0.131 nan 8.370 nan 0.000 0.456 327 N N -0.372 118.359 118.700 0.052 0.000 2.207 327 N HA -0.062 4.677 4.740 -0.002 0.000 0.182 327 N C 1.687 177.206 175.510 0.014 0.000 1.020 327 N CA 0.731 53.798 53.050 0.029 0.000 0.858 327 N CB -0.089 38.386 38.487 -0.020 0.000 0.991 327 N HN 0.279 nan 8.380 nan 0.000 0.427 328 Q N -0.218 119.547 119.800 -0.058 0.000 2.354 328 Q HA 0.187 4.526 4.340 -0.002 0.000 0.203 328 Q C 1.427 177.415 176.000 -0.020 0.000 0.933 328 Q CA 0.588 56.334 55.803 -0.094 0.000 0.901 328 Q CB 0.556 29.127 28.738 -0.278 0.000 1.007 328 Q HN 0.402 nan 8.270 nan 0.000 0.495 329 I N -1.784 118.797 120.570 0.018 0.000 3.650 329 I HA -0.055 4.114 4.170 -0.002 0.000 0.261 329 I C 2.009 178.177 176.117 0.084 0.000 1.154 329 I CA 0.257 61.613 61.300 0.094 0.000 1.418 329 I CB -0.330 37.749 38.000 0.131 0.000 1.539 329 I HN -0.045 nan 8.210 nan 0.000 0.449 330 c N 0.543 119.160 118.600 0.028 0.000 2.432 330 c HA -0.144 4.425 4.570 -0.002 0.000 0.277 330 c C 2.374 176.370 174.090 -0.156 0.000 1.249 330 c CA 0.867 57.147 56.329 -0.082 0.000 1.725 330 c CB -1.223 41.205 42.510 -0.137 0.000 2.028 330 c HN 0.461 nan 8.230 nan 0.000 0.477 331 H N -0.370 118.727 119.070 0.045 0.000 2.517 331 H HA 0.158 4.713 4.556 -0.002 0.000 0.282 331 H C 0.639 176.007 175.328 0.068 0.000 1.023 331 H CA 0.265 56.343 56.048 0.050 0.000 1.169 331 H CB -0.056 29.721 29.762 0.025 0.000 1.454 331 H HN 0.484 nan 8.280 nan 0.000 0.556 332 Q N 1.425 121.317 119.800 0.154 0.000 2.235 332 Q HA 0.088 4.427 4.340 -0.002 0.000 0.250 332 Q C -0.055 176.053 176.000 0.181 0.000 0.909 332 Q CA -0.539 55.354 55.803 0.150 0.000 0.910 332 Q CB 0.992 29.814 28.738 0.141 0.000 1.223 332 Q HN 0.072 nan 8.270 nan 0.000 0.432 333 Q N 4.140 124.030 119.800 0.150 0.000 2.271 333 Q HA -0.076 4.263 4.340 -0.002 0.000 0.273 333 Q C 0.120 176.242 176.000 0.204 0.000 1.051 333 Q CA 0.256 56.158 55.803 0.164 0.000 0.901 333 Q CB 0.213 29.010 28.738 0.099 0.000 1.174 333 Q HN 1.034 nan 8.270 nan 0.000 0.385 334 W N 5.569 126.939 121.300 0.117 0.000 2.355 334 W HA -0.195 4.464 4.660 -0.002 0.000 0.309 334 W C 0.467 177.059 176.519 0.122 0.000 1.206 334 W CA 1.510 58.947 57.345 0.155 0.000 1.284 334 W CB 0.336 29.937 29.460 0.235 0.000 1.145 334 W HN 0.689 nan 8.180 nan 0.000 0.502 335 D N 0.834 121.166 120.400 -0.113 0.000 2.144 335 D HA -0.205 4.434 4.640 -0.002 0.000 0.199 335 D C 2.133 178.276 176.300 -0.262 0.000 0.984 335 D CA 1.910 55.760 54.000 -0.249 0.000 0.834 335 D CB -0.392 40.376 40.800 -0.054 0.000 0.955 335 D HN 0.306 nan 8.370 nan 0.000 0.465 336 I N 0.618 121.100 120.570 -0.147 0.000 2.252 336 I HA -0.230 3.939 4.170 -0.002 0.000 0.245 336 I C 2.455 178.479 176.117 -0.154 0.000 1.102 336 I CA 0.417 61.647 61.300 -0.117 0.000 1.385 336 I CB -0.108 37.866 38.000 -0.044 0.000 1.064 336 I HN -0.019 nan 8.210 nan 0.000 0.414 337 L N 1.390 122.512 121.223 -0.168 0.000 2.017 337 L HA -0.233 4.106 4.340 -0.002 0.000 0.208 337 L C 2.168 178.887 176.870 -0.251 0.000 1.073 337 L CA 2.072 56.849 54.840 -0.105 0.000 0.745 337 L CB -0.987 41.058 42.059 -0.023 0.000 0.894 337 L HN 0.231 nan 8.230 nan 0.000 0.432 338 N N -0.356 117.909 118.700 -0.724 0.000 2.149 338 N HA -0.141 4.598 4.740 -0.002 0.000 0.188 338 N C 1.884 177.209 175.510 -0.309 0.000 1.019 338 N CA 1.610 54.242 53.050 -0.696 0.000 0.857 338 N CB -0.620 37.185 38.487 -1.136 0.000 0.997 338 N HN 0.449 nan 8.380 nan 0.000 0.426 339 G N -0.520 108.110 108.800 -0.283 0.000 2.432 339 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.219 339 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.219 339 G C 1.397 176.178 174.900 -0.198 0.000 1.135 339 G CA 0.559 45.544 45.100 -0.191 0.000 0.767 339 G HN 0.447 nan 8.290 nan 0.000 0.550 340 Q N -1.226 118.423 119.800 -0.252 0.000 2.331 340 Q HA 0.075 4.414 4.340 -0.002 0.000 0.203 340 Q C -0.039 175.526 176.000 -0.725 0.000 0.944 340 Q CA 0.528 56.046 55.803 -0.475 0.000 0.892 340 Q CB 0.341 28.762 28.738 -0.529 0.000 0.983 340 Q HN 0.645 nan 8.270 nan 0.000 0.482 341 Y N -0.422 119.837 120.300 -0.069 0.000 2.501 341 Y HA 0.229 4.778 4.550 -0.001 0.000 0.331 341 Y C -1.855 174.030 175.900 -0.025 0.000 0.950 341 Y CA -1.916 56.170 58.100 -0.022 0.000 1.120 341 Y CB 0.938 39.407 38.460 0.014 0.000 1.154 341 Y HN 0.066 nan 8.280 nan 0.000 0.630 342 P HA -0.051 nan 4.420 nan 0.000 0.229 342 P C 0.315 177.645 177.300 0.051 0.000 1.160 342 P CA 1.235 64.345 63.100 0.018 0.000 0.777 342 P CB 0.624 32.310 31.700 -0.023 0.000 0.814 343 D N -0.648 119.796 120.400 0.074 0.000 2.346 343 D HA -0.032 4.607 4.640 -0.002 0.000 0.206 343 D C 0.491 176.835 176.300 0.074 0.000 1.001 343 D CA 0.678 54.718 54.000 0.067 0.000 0.871 343 D CB -0.345 40.498 40.800 0.072 0.000 0.943 343 D HN 0.146 nan 8.370 nan 0.000 0.518 344 D N 1.558 122.027 120.400 0.116 0.000 2.402 344 D HA -0.018 4.621 4.640 -0.002 0.000 0.235 344 D C 1.089 177.419 176.300 0.050 0.000 1.226 344 D CA -0.074 53.992 54.000 0.110 0.000 0.918 344 D CB 0.553 41.453 40.800 0.167 0.000 1.043 344 D HN 0.241 nan 8.370 nan 0.000 0.506 345 E N 2.245 122.375 120.200 -0.117 0.000 2.418 345 E HA -0.177 4.172 4.350 -0.002 0.000 0.197 345 E C 0.372 176.874 176.600 -0.164 0.000 1.026 345 E CA 0.924 57.206 56.400 -0.196 0.000 0.862 345 E CB -0.175 29.316 29.700 -0.348 0.000 0.799 345 E HN 0.472 nan 8.360 nan 0.000 0.518 346 Y N -0.162 120.211 120.300 0.122 0.000 2.458 346 Y HA 0.196 4.745 4.550 -0.001 0.000 0.254 346 Y C 1.713 177.310 175.900 -0.505 0.000 1.120 346 Y CA -0.424 57.654 58.100 -0.036 0.000 1.282 346 Y CB 0.068 38.545 38.460 0.028 0.000 1.109 346 Y HN 0.068 nan 8.280 nan 0.000 0.526 347 L N 0.717 121.735 121.223 -0.341 0.000 2.081 347 L HA -0.259 4.080 4.340 -0.002 0.000 0.212 347 L C 2.376 179.069 176.870 -0.296 0.000 1.080 347 L CA 1.929 56.389 54.840 -0.633 0.000 0.754 347 L CB -1.083 40.965 42.059 -0.019 0.000 0.893 347 L HN 0.497 nan 8.230 nan 0.000 0.433 348 Y N -1.343 118.896 120.300 -0.101 0.000 2.384 348 Y HA -0.148 4.401 4.550 -0.001 0.000 0.289 348 Y C 2.006 177.725 175.900 -0.300 0.000 1.152 348 Y CA 1.252 59.137 58.100 -0.358 0.000 1.258 348 Y CB -0.885 37.204 38.460 -0.618 0.000 0.979 348 Y HN 0.340 nan 8.280 nan 0.000 0.549 349 Q N -0.881 118.362 119.800 -0.928 0.000 2.360 349 Q HA -0.000 4.339 4.340 -0.002 0.000 0.202 349 Q C 0.721 176.562 176.000 -0.264 0.000 0.915 349 Q CA -0.078 55.303 55.803 -0.703 0.000 0.943 349 Q CB 0.034 28.370 28.738 -0.670 0.000 1.064 349 Q HN 0.572 nan 8.270 nan 0.000 0.511 350 Y N -0.694 119.494 120.300 -0.186 0.000 2.509 350 Y HA -0.172 4.378 4.550 -0.001 0.000 0.293 350 Y C 2.296 178.170 175.900 -0.042 0.000 1.133 350 Y CA -0.555 57.529 58.100 -0.027 0.000 1.283 350 Y CB -0.851 37.748 38.460 0.232 0.000 1.001 350 Y HN 0.287 nan 8.280 nan 0.000 0.555 351 c N -0.281 118.308 118.600 -0.020 0.000 2.453 351 c HA -0.141 4.428 4.570 -0.002 0.000 0.277 351 c C 2.803 176.743 174.090 -0.251 0.000 1.262 351 c CA 0.805 57.060 56.329 -0.123 0.000 1.718 351 c CB -1.362 41.017 42.510 -0.219 0.000 2.031 351 c HN 0.507 nan 8.230 nan 0.000 0.480 352 L N 0.972 121.919 121.223 -0.460 0.000 2.017 352 L HA -0.042 4.297 4.340 -0.002 0.000 0.208 352 L C 2.314 178.962 176.870 -0.370 0.000 1.073 352 L CA 2.051 56.587 54.840 -0.507 0.000 0.745 352 L CB -0.796 40.858 42.059 -0.675 0.000 0.894 352 L HN 0.413 nan 8.230 nan 0.000 0.432 353 L N -0.809 120.227 121.223 -0.311 0.000 2.072 353 L HA -0.143 4.196 4.340 -0.002 0.000 0.205 353 L C 2.696 179.363 176.870 -0.338 0.000 1.079 353 L CA 1.287 55.891 54.840 -0.393 0.000 0.752 353 L CB -0.815 41.057 42.059 -0.311 0.000 0.906 353 L HN 0.502 nan 8.230 nan 0.000 0.436 354 S N -1.123 114.510 115.700 -0.111 0.000 2.368 354 S HA -0.171 4.298 4.470 -0.002 0.000 0.225 354 S C 2.105 176.700 174.600 -0.008 0.000 1.030 354 S CA 1.416 59.626 58.200 0.017 0.000 0.999 354 S CB -0.501 62.781 63.200 0.137 0.000 0.844 354 S HN 0.304 nan 8.310 nan 0.000 0.459 355 S N 1.086 116.732 115.700 -0.090 0.000 2.368 355 S HA -0.081 4.388 4.470 -0.002 0.000 0.225 355 S C 1.589 176.121 174.600 -0.113 0.000 1.030 355 S CA 1.420 59.548 58.200 -0.121 0.000 0.999 355 S CB -0.674 62.411 63.200 -0.193 0.000 0.844 355 S HN 0.765 nan 8.310 nan 0.000 0.459 356 Y N 1.161 121.250 120.300 -0.351 0.000 2.163 356 Y HA -0.172 4.377 4.550 -0.001 0.000 0.288 356 Y C 1.954 177.679 175.900 -0.291 0.000 1.136 356 Y CA 1.273 59.130 58.100 -0.404 0.000 1.147 356 Y CB -0.661 37.467 38.460 -0.552 0.000 0.987 356 Y HN 0.166 nan 8.280 nan 0.000 0.509 357 Y N -0.818 119.269 120.300 -0.355 0.000 2.181 357 Y HA -0.263 4.286 4.550 -0.002 0.000 0.288 357 Y C 2.521 178.197 175.900 -0.373 0.000 1.146 357 Y CA 1.606 59.416 58.100 -0.482 0.000 1.164 357 Y CB -1.557 36.726 38.460 -0.295 0.000 0.982 357 Y HN 0.356 nan 8.280 nan 0.000 0.515 358 Y N 0.073 120.273 120.300 -0.167 0.000 2.145 358 Y HA -0.215 4.335 4.550 -0.001 0.000 0.286 358 Y C 2.511 178.263 175.900 -0.247 0.000 1.145 358 Y CA 1.437 59.429 58.100 -0.180 0.000 1.148 358 Y CB -0.497 37.893 38.460 -0.117 0.000 0.981 358 Y HN 0.057 nan 8.280 nan 0.000 0.507 359 A N 0.021 122.825 122.820 -0.026 0.000 1.883 359 A HA -0.242 4.077 4.320 -0.002 0.000 0.217 359 A C 2.140 179.512 177.584 -0.353 0.000 1.186 359 A CA 1.953 53.907 52.037 -0.137 0.000 0.624 359 A CB -1.230 17.674 19.000 -0.159 0.000 0.822 359 A HN 0.553 nan 8.150 nan 0.000 0.444 360 L N -0.803 120.104 121.223 -0.527 0.000 2.005 360 L HA -0.076 4.263 4.340 -0.002 0.000 0.207 360 L C 2.550 178.876 176.870 -0.907 0.000 1.072 360 L CA 2.216 56.595 54.840 -0.768 0.000 0.744 360 L CB -0.467 41.073 42.059 -0.866 0.000 0.895 360 L HN 0.445 nan 8.230 nan 0.000 0.433 361 M N -2.242 116.949 119.600 -0.681 0.000 2.193 361 M HA -0.116 4.363 4.480 -0.002 0.000 0.265 361 M C 1.976 177.999 176.300 -0.461 0.000 1.071 361 M CA 1.261 56.219 55.300 -0.570 0.000 1.140 361 M CB -0.158 32.166 32.600 -0.461 0.000 1.369 361 M HN 0.133 nan 8.290 nan 0.000 0.423 362 V N -0.203 119.397 119.914 -0.524 0.000 2.341 362 V HA -0.147 3.972 4.120 -0.002 0.000 0.240 362 V C 1.555 177.471 176.094 -0.296 0.000 1.035 362 V CA 1.558 63.570 62.300 -0.479 0.000 1.033 362 V CB -0.462 30.836 31.823 -0.874 0.000 0.678 362 V HN 0.307 nan 8.190 nan 0.000 0.464 363 D N 0.388 120.634 120.400 -0.257 0.000 2.234 363 D HA -0.001 4.637 4.640 -0.002 0.000 0.205 363 D C 1.930 178.122 176.300 -0.179 0.000 0.962 363 D CA 1.376 55.284 54.000 -0.155 0.000 0.855 363 D CB -0.087 40.658 40.800 -0.091 0.000 0.951 363 D HN 0.450 nan 8.370 nan 0.000 0.500 364 G N -0.073 108.552 108.800 -0.291 0.000 2.610 364 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.215 364 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.215 364 G C 1.097 175.920 174.900 -0.128 0.000 1.243 364 G CA 0.039 44.954 45.100 -0.307 0.000 0.847 364 G HN 0.139 nan 8.290 nan 0.000 0.560 365 Y N 1.009 121.182 120.300 -0.211 0.000 2.439 365 Y HA 0.221 4.770 4.550 -0.002 0.000 0.292 365 Y C 2.409 178.217 175.900 -0.154 0.000 1.130 365 Y CA 0.029 58.026 58.100 -0.173 0.000 1.254 365 Y CB -0.572 37.740 38.460 -0.247 0.000 1.000 365 Y HN 0.422 nan 8.280 nan 0.000 0.554 366 G N 0.123 108.901 108.800 -0.037 0.000 2.131 366 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.223 366 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.223 366 G C 0.121 174.975 174.900 -0.076 0.000 0.990 366 G CA -0.012 45.052 45.100 -0.060 0.000 0.671 366 G HN 0.283 nan 8.290 nan 0.000 0.521 367 I N 1.095 121.591 120.570 -0.124 0.000 2.648 367 I HA 0.068 4.237 4.170 -0.002 0.000 0.284 367 I C 1.052 177.078 176.117 -0.152 0.000 1.153 367 I CA -0.533 60.685 61.300 -0.137 0.000 1.426 367 I CB 0.518 38.348 38.000 -0.283 0.000 1.381 367 I HN 0.183 nan 8.210 nan 0.000 0.571 368 N N 8.055 126.704 118.700 -0.085 0.000 2.492 368 N HA 0.042 4.781 4.740 -0.002 0.000 0.262 368 N C -1.777 173.660 175.510 -0.122 0.000 1.202 368 N CA -1.158 51.843 53.050 -0.082 0.000 0.926 368 N CB 1.422 39.889 38.487 -0.033 0.000 1.078 368 N HN 0.264 nan 8.380 nan 0.000 0.454 369 P HA -0.054 nan 4.420 nan 0.000 0.221 369 P C -0.125 177.151 177.300 -0.039 0.000 1.145 369 P CA 1.415 64.450 63.100 -0.108 0.000 0.795 369 P CB 0.185 31.895 31.700 0.016 0.000 0.775 370 N N -1.799 116.885 118.700 -0.026 0.000 2.280 370 N HA 0.010 4.749 4.740 -0.002 0.000 0.192 370 N C 0.568 176.063 175.510 -0.025 0.000 1.109 370 N CA -0.213 52.831 53.050 -0.011 0.000 0.855 370 N CB -0.200 38.288 38.487 0.002 0.000 0.974 370 N HN 0.078 nan 8.380 nan 0.000 0.482 371 Q N 1.444 121.221 119.800 -0.038 0.000 2.313 371 Q HA 0.128 4.467 4.340 -0.002 0.000 0.266 371 Q C -0.588 175.377 176.000 -0.059 0.000 0.989 371 Q CA 0.226 56.016 55.803 -0.022 0.000 0.890 371 Q CB 0.488 29.239 28.738 0.020 0.000 1.200 371 Q HN 0.040 nan 8.270 nan 0.000 0.396 372 T N 5.527 120.034 114.554 -0.078 0.000 2.888 372 T HA 0.250 4.599 4.350 -0.002 0.000 0.301 372 T C -0.141 174.431 174.700 -0.214 0.000 1.001 372 T CA -0.074 61.915 62.100 -0.185 0.000 1.147 372 T CB 0.147 68.852 68.868 -0.273 0.000 0.931 372 T HN 0.424 nan 8.240 nan 0.000 0.541 373 I N 3.927 124.333 120.570 -0.273 0.000 2.382 373 I HA 0.270 4.439 4.170 -0.002 0.000 0.286 373 I C 0.191 176.104 176.117 -0.340 0.000 1.002 373 I CA -0.793 60.371 61.300 -0.227 0.000 1.135 373 I CB 0.943 38.823 38.000 -0.200 0.000 1.288 373 I HN 0.668 nan 8.210 nan 0.000 0.448 374 H N 6.157 125.049 119.070 -0.297 0.000 2.582 374 H HA 0.386 4.940 4.556 -0.002 0.000 0.345 374 H C -0.579 174.653 175.328 -0.159 0.000 1.104 374 H CA 0.192 56.018 56.048 -0.370 0.000 1.390 374 H CB 0.692 30.026 29.762 -0.714 0.000 1.461 374 H HN 0.495 nan 8.280 nan 0.000 0.551 375 Y N 0.272 120.555 120.300 -0.029 0.000 2.446 375 Y HA 0.454 5.003 4.550 -0.002 0.000 0.345 375 Y C -0.992 174.937 175.900 0.049 0.000 0.984 375 Y CA -1.627 56.459 58.100 -0.024 0.000 1.058 375 Y CB 0.800 39.167 38.460 -0.155 0.000 1.220 375 Y HN 0.335 nan 8.280 nan 0.000 0.455 376 I N 4.451 125.162 120.570 0.234 0.000 2.396 376 I HA 0.234 4.403 4.170 -0.002 0.000 0.289 376 I C -2.321 173.906 176.117 0.184 0.000 1.056 376 I CA -2.662 58.734 61.300 0.160 0.000 1.365 376 I CB 0.382 38.465 38.000 0.139 0.000 1.407 376 I HN 0.503 nan 8.210 nan 0.000 0.509 377 P HA 0.095 nan 4.420 nan 0.000 0.266 377 P C -1.943 175.431 177.300 0.124 0.000 1.195 377 P CA -0.845 62.346 63.100 0.151 0.000 0.768 377 P CB 0.005 31.757 31.700 0.088 0.000 0.838 378 P HA -0.126 nan 4.420 nan 0.000 0.221 378 P C 1.347 178.696 177.300 0.081 0.000 1.150 378 P CA 1.545 64.700 63.100 0.093 0.000 0.800 378 P CB -0.419 31.331 31.700 0.083 0.000 0.787 379 E N 0.450 120.698 120.200 0.080 0.000 2.409 379 E HA -0.199 4.150 4.350 -0.002 0.000 0.198 379 E C 1.857 178.493 176.600 0.060 0.000 1.024 379 E CA 0.931 57.371 56.400 0.067 0.000 0.861 379 E CB -1.308 nan 29.700 nan 0.000 0.788 379 E HN 0.436 nan 8.360 nan 0.000 0.521 380 Q N -1.701 118.138 119.800 0.064 0.000 2.378 380 Q HA 0.017 4.356 4.340 -0.002 0.000 0.205 380 Q C 1.268 177.305 176.000 0.062 0.000 0.954 380 Q CA 0.667 56.505 55.803 0.058 0.000 0.901 380 Q CB -0.206 28.565 28.738 0.054 0.000 0.981 380 Q HN 0.873 nan 8.270 nan 0.000 0.483 381 N N 1.054 119.794 118.700 0.067 0.000 2.727 381 N HA -0.193 4.546 4.740 -0.002 0.000 0.249 381 N C -0.193 175.362 175.510 0.075 0.000 1.048 381 N CA 0.863 53.956 53.050 0.071 0.000 0.714 381 N CB -2.388 nan 38.487 nan 0.000 0.959 381 N HN 0.342 nan 8.380 nan 0.000 0.544 382 L N -0.055 121.212 121.223 0.074 0.000 2.319 382 L HA 0.561 4.900 4.340 -0.002 0.000 0.280 382 L C 0.086 176.995 176.870 0.066 0.000 1.099 382 L CA -0.226 54.654 54.840 0.067 0.000 0.828 382 L CB 1.040 43.139 42.059 0.066 0.000 1.150 382 L HN 0.523 nan 8.230 nan 0.000 0.442 383 D N 3.540 123.950 120.400 0.016 0.000 2.619 383 D HA 0.191 4.830 4.640 -0.002 0.000 0.241 383 D C 0.652 176.892 176.300 -0.101 0.000 1.087 383 D CA -0.644 53.322 54.000 -0.056 0.000 0.851 383 D CB 0.913 41.587 40.800 -0.210 0.000 1.474 383 D HN 0.566 nan 8.370 nan 0.000 0.478 384 W N 2.915 124.193 121.300 -0.036 0.000 2.421 384 W HA -0.142 4.517 4.660 -0.002 0.000 0.270 384 W C 1.025 177.471 176.519 -0.123 0.000 1.233 384 W CA 1.416 58.751 57.345 -0.017 0.000 1.226 384 W CB -1.534 27.966 29.460 0.067 0.000 1.121 384 W HN 0.428 nan 8.180 nan 0.000 0.579 385 T N -0.422 113.530 114.554 -1.003 0.000 2.929 385 T HA -0.161 4.188 4.350 -0.002 0.000 0.271 385 T C 1.821 176.114 174.700 -0.678 0.000 1.085 385 T CA 1.452 62.922 62.100 -1.049 0.000 1.125 385 T CB -0.811 67.379 68.868 -1.131 0.000 0.874 385 T HN 0.250 nan 8.240 nan 0.000 0.494 386 I N 1.777 122.001 120.570 -0.577 0.000 2.335 386 I HA -0.093 4.076 4.170 -0.002 0.000 0.251 386 I C 2.942 178.745 176.117 -0.523 0.000 1.129 386 I CA 1.401 62.284 61.300 -0.695 0.000 1.402 386 I CB -0.766 36.950 38.000 -0.474 0.000 1.069 386 I HN 0.451 nan 8.210 nan 0.000 0.424 387 G N 0.266 108.902 108.800 -0.273 0.000 2.443 387 G HA2 -0.124 3.835 3.960 -0.002 0.000 0.219 387 G HA3 -0.124 3.835 3.960 -0.002 0.000 0.219 387 G C 1.679 176.466 174.900 -0.189 0.000 1.131 387 G CA 0.574 45.644 45.100 -0.050 0.000 0.775 387 G HN 0.258 nan 8.290 nan 0.000 0.547 388 V N 0.716 120.256 119.914 -0.624 0.000 2.343 388 V HA -0.170 3.949 4.120 -0.002 0.000 0.247 388 V C 2.983 178.763 176.094 -0.523 0.000 1.051 388 V CA 1.414 63.255 62.300 -0.766 0.000 1.036 388 V CB -0.420 30.888 31.823 -0.858 0.000 0.654 388 V HN 0.248 nan 8.190 nan 0.000 0.451 389 V N -0.135 119.438 119.914 -0.569 0.000 2.295 389 V HA -0.262 3.857 4.120 -0.002 0.000 0.246 389 V C 2.329 178.127 176.094 -0.493 0.000 1.049 389 V CA 2.038 63.983 62.300 -0.591 0.000 1.024 389 V CB -0.578 30.788 31.823 -0.763 0.000 0.648 389 V HN 0.434 nan 8.190 nan 0.000 0.447 390 L N -0.751 120.233 121.223 -0.398 0.000 2.083 390 L HA -0.201 4.138 4.340 -0.002 0.000 0.209 390 L C 2.581 179.381 176.870 -0.117 0.000 1.083 390 L CA 1.866 56.542 54.840 -0.272 0.000 0.752 390 L CB -0.634 41.307 42.059 -0.196 0.000 0.899 390 L HN 0.416 nan 8.230 nan 0.000 0.433 391 H N -0.605 118.386 119.070 -0.132 0.000 2.448 391 H HA 0.087 4.642 4.556 -0.002 0.000 0.292 391 H C 1.830 177.119 175.328 -0.065 0.000 1.035 391 H CA 1.081 57.115 56.048 -0.024 0.000 1.349 391 H CB 0.434 30.316 29.762 0.199 0.000 1.425 391 H HN -0.050 nan 8.280 nan 0.000 0.539 392 R N -0.340 120.067 120.500 -0.155 0.000 2.487 392 R HA 0.417 4.756 4.340 -0.002 0.000 0.272 392 R C 0.487 176.694 176.300 -0.154 0.000 0.928 392 R CA 0.483 56.459 56.100 -0.207 0.000 1.077 392 R CB 0.325 30.425 30.300 -0.333 0.000 1.265 392 R HN 0.206 nan 8.270 nan 0.000 0.537 393 A N 0.000 122.682 122.820 -0.229 0.000 2.254 393 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 393 A CA 0.000 51.926 52.037 -0.185 0.000 0.836 393 A CB 0.000 18.648 19.000 -0.587 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486