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 1ekf_1_B DATA FIRST_RESID 1 DATA SEQUENCE ASSSFKAADL QLEMTQKPHK KPGPGEPLVF GKTFTDHMLM VEWNDKGWGQ DATA SEQUENCE PRIQPFQNLT LHPASSSLHY SLQLFEGMKA FKGKDQQVRL FRPWLNMDRM DATA SEQUENCE LRSAMRLCLP SFDKLELLEC IRRLIEVDKD WVPDAAGTSL YVRPVLIGNE DATA SEQUENCE PSLGVSQPRR ALLFVILCPV GAYFPGGSVT PVSLLADPAF IRAWVGGVGN DATA SEQUENCE YKLGGNYGPT VLVQQEALKR GCEQVLWLYG PDHQLTEVGT MNIFVYWTHE DATA SEQUENCE DGVLELVTPP LNGVILPGVV RQSLLDMAQT WGEFRVVERT ITMKQLLRAL DATA SEQUENCE EEGRVREVFG SGTACQVCPV HRILYKDRNL HIPTMENGPE LILRFQKELK DATA SEQUENCE EIQYGIRAHE WMFPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.597 177.584 0.022 0.000 1.274 1 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 1 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 2 S N 0.292 116.021 115.700 0.048 0.000 2.290 2 S HA 0.235 4.705 4.470 -0.000 0.000 0.266 2 S C 0.599 175.283 174.600 0.141 0.000 0.995 2 S CA 0.663 58.918 58.200 0.092 0.000 1.482 2 S CB -0.432 62.831 63.200 0.106 0.000 1.176 2 S HN 2.598 nan 8.310 nan 0.000 0.599 3 S N 1.687 117.467 115.700 0.134 0.000 3.229 3 S HA 0.051 4.521 4.470 -0.000 0.000 0.717 3 S C 0.024 174.794 174.600 0.283 0.000 2.619 3 S CA 0.520 58.818 58.200 0.163 0.000 2.726 3 S CB -1.090 62.158 63.200 0.080 0.000 0.300 3 S HN 1.598 nan 8.310 nan 0.000 1.474 4 S N -0.522 115.324 115.700 0.244 0.000 2.479 4 S HA 0.381 4.851 4.470 -0.000 0.000 0.284 4 S C -0.934 173.780 174.600 0.190 0.000 0.893 4 S CA 0.363 58.751 58.200 0.314 0.000 1.215 4 S CB -0.977 62.588 63.200 0.608 0.000 1.511 4 S HN 2.670 nan 8.310 nan 0.000 0.442 5 F N 0.921 120.918 119.950 0.080 0.000 2.111 5 F HA -0.008 4.519 4.527 0.000 0.000 0.433 5 F C -1.347 174.403 175.800 -0.083 0.000 1.193 5 F CA 1.025 58.976 58.000 -0.082 0.000 1.413 5 F CB -1.333 37.350 39.000 -0.528 0.000 2.218 5 F HN 0.622 nan 8.300 nan 0.000 0.736 6 K N 5.056 125.495 120.400 0.064 0.000 2.203 6 K HA 0.846 5.166 4.320 -0.000 0.000 0.251 6 K C 0.831 177.446 176.600 0.024 0.000 0.944 6 K CA -0.353 55.903 56.287 -0.053 0.000 0.829 6 K CB 1.707 34.210 32.500 0.005 0.000 1.125 6 K HN 0.598 nan 8.250 nan 0.000 0.430 7 A N 1.736 124.535 122.820 -0.035 0.000 1.968 7 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 7 A C 1.784 179.393 177.584 0.041 0.000 1.169 7 A CA 1.678 53.729 52.037 0.023 0.000 0.638 7 A CB -0.526 18.472 19.000 -0.003 0.000 0.812 7 A HN 0.745 nan 8.150 nan 0.000 0.446 8 A N -0.595 122.243 122.820 0.030 0.000 2.264 8 A HA 0.028 4.348 4.320 -0.000 0.000 0.207 8 A C 0.858 178.468 177.584 0.044 0.000 1.196 8 A CA 1.135 53.192 52.037 0.034 0.000 0.778 8 A CB -0.262 18.754 19.000 0.027 0.000 0.779 8 A HN 0.388 nan 8.150 nan 0.000 0.483 9 D N -0.591 119.845 120.400 0.060 0.000 2.440 9 D HA 0.191 4.831 4.640 -0.000 0.000 0.216 9 D C 0.012 176.353 176.300 0.068 0.000 1.150 9 D CA -0.107 53.933 54.000 0.067 0.000 0.832 9 D CB 0.181 41.033 40.800 0.087 0.000 0.992 9 D HN 0.352 nan 8.370 nan 0.000 0.502 10 L N 1.966 123.227 121.223 0.064 0.000 2.559 10 L HA -0.055 4.285 4.340 -0.000 0.000 0.274 10 L C 0.708 177.606 176.870 0.046 0.000 1.205 10 L CA 0.399 55.274 54.840 0.058 0.000 0.907 10 L CB 0.379 42.470 42.059 0.052 0.000 1.153 10 L HN -0.230 nan 8.230 nan 0.000 0.490 11 Q N 4.466 124.292 119.800 0.043 0.000 2.222 11 Q HA 0.582 4.922 4.340 -0.000 0.000 0.252 11 Q C -0.679 175.343 176.000 0.037 0.000 0.926 11 Q CA -0.442 55.383 55.803 0.037 0.000 0.899 11 Q CB 2.714 31.473 28.738 0.034 0.000 1.250 11 Q HN 0.522 nan 8.270 nan 0.000 0.441 12 L N 1.135 122.380 121.223 0.036 0.000 2.438 12 L HA 0.409 4.749 4.340 -0.000 0.000 0.270 12 L C -0.991 175.909 176.870 0.050 0.000 0.972 12 L CA -0.256 54.609 54.840 0.041 0.000 0.831 12 L CB 1.827 43.904 42.059 0.029 0.000 1.273 12 L HN 0.670 nan 8.230 nan 0.000 0.405 13 E N 5.831 126.075 120.200 0.073 0.000 2.402 13 E HA 0.274 4.624 4.350 -0.000 0.000 0.244 13 E C -0.904 175.782 176.600 0.143 0.000 0.945 13 E CA -0.835 55.615 56.400 0.082 0.000 0.774 13 E CB 1.008 30.745 29.700 0.061 0.000 1.296 13 E HN 0.516 nan 8.360 nan 0.000 0.414 14 M N 1.959 121.643 119.600 0.141 0.000 2.250 14 M HA 0.045 4.525 4.480 -0.000 0.000 0.325 14 M C 1.111 177.551 176.300 0.234 0.000 1.084 14 M CA 0.405 55.850 55.300 0.242 0.000 1.161 14 M CB 0.293 32.983 32.600 0.149 0.000 1.481 14 M HN 0.530 nan 8.290 nan 0.000 0.449 15 T N 0.644 115.404 114.554 0.343 0.000 2.600 15 T HA -0.078 4.272 4.350 -0.000 0.000 0.369 15 T C 0.845 175.577 174.700 0.054 0.000 1.055 15 T CA 0.993 63.120 62.100 0.046 0.000 1.051 15 T CB 0.477 69.304 68.868 -0.068 0.000 1.106 15 T HN 0.750 nan 8.240 nan 0.000 0.524 16 Q N -1.059 118.742 119.800 0.002 0.000 2.046 16 Q HA 0.307 4.647 4.340 -0.000 0.000 0.226 16 Q C -0.356 175.629 176.000 -0.025 0.000 0.755 16 Q CA -0.158 55.645 55.803 0.001 0.000 0.924 16 Q CB 0.570 29.306 28.738 -0.003 0.000 1.188 16 Q HN 0.391 nan 8.270 nan 0.000 0.450 17 K N 1.353 121.713 120.400 -0.066 0.000 3.088 17 K HA 0.285 4.605 4.320 -0.000 0.000 0.193 17 K C -2.961 173.527 176.600 -0.188 0.000 1.176 17 K CA -1.617 54.605 56.287 -0.109 0.000 0.907 17 K CB 1.116 33.539 32.500 -0.128 0.000 1.139 17 K HN -0.036 nan 8.250 nan 0.000 0.597 18 P HA -0.050 nan 4.420 nan 0.000 0.260 18 P C -0.351 176.939 177.300 -0.017 0.000 1.172 18 P CA 0.439 63.551 63.100 0.021 0.000 0.760 18 P CB 0.241 31.998 31.700 0.095 0.000 0.773 19 H N 2.256 121.472 119.070 0.244 0.000 2.615 19 H HA 0.174 4.730 4.556 -0.000 0.000 0.363 19 H C 0.630 176.078 175.328 0.200 0.000 1.148 19 H CA 0.141 56.330 56.048 0.235 0.000 1.401 19 H CB 0.779 30.712 29.762 0.285 0.000 1.461 19 H HN 0.304 nan 8.280 nan 0.000 0.588 20 K N 2.412 122.936 120.400 0.207 0.000 2.297 20 K HA 0.100 4.420 4.320 -0.000 0.000 0.286 20 K C 0.229 176.765 176.600 -0.106 0.000 1.053 20 K CA -0.569 55.716 56.287 -0.003 0.000 0.940 20 K CB 0.907 33.407 32.500 0.001 0.000 1.019 20 K HN 0.284 nan 8.250 nan 0.000 0.475 21 K N 2.841 122.953 120.400 -0.481 0.000 2.455 21 K HA 0.012 4.332 4.320 -0.000 0.000 0.269 21 K C -2.208 174.292 176.600 -0.167 0.000 0.972 21 K CA -0.686 55.230 56.287 -0.619 0.000 0.938 21 K CB -0.355 31.724 32.500 -0.703 0.000 0.931 21 K HN 0.344 nan 8.250 nan 0.000 0.507 22 P HA 0.022 nan 4.420 nan 0.000 0.271 22 P C -0.423 176.861 177.300 -0.026 0.000 1.233 22 P CA -0.119 62.985 63.100 0.006 0.000 0.795 22 P CB 0.444 32.168 31.700 0.040 0.000 0.936 23 G N 0.655 109.447 108.800 -0.014 0.000 2.319 23 G HA2 0.432 4.392 3.960 -0.000 0.000 0.308 23 G HA3 0.432 4.392 3.960 -0.000 0.000 0.308 23 G C -2.637 172.255 174.900 -0.012 0.000 1.117 23 G CA -1.241 43.848 45.100 -0.018 0.000 0.903 23 G HN 0.270 nan 8.290 nan 0.000 0.436 24 P HA 0.159 nan 4.420 nan 0.000 0.257 24 P C 1.112 178.409 177.300 -0.005 0.000 1.189 24 P CA 1.676 64.771 63.100 -0.008 0.000 0.780 24 P CB 0.777 32.470 31.700 -0.012 0.000 0.772 25 G N 2.598 111.398 108.800 -0.001 0.000 2.232 25 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.226 25 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.226 25 G C 0.008 174.907 174.900 -0.001 0.000 0.996 25 G CA -0.479 44.621 45.100 0.000 0.000 0.626 25 G HN 0.507 nan 8.290 nan 0.000 0.509 26 E N 2.241 122.439 120.200 -0.003 0.000 2.046 26 E HA 0.399 4.749 4.350 -0.000 0.000 0.279 26 E C -2.263 174.334 176.600 -0.006 0.000 0.989 26 E CA -1.632 54.764 56.400 -0.005 0.000 0.798 26 E CB 1.257 30.953 29.700 -0.007 0.000 1.086 26 E HN 0.232 nan 8.360 nan 0.000 0.399 27 P HA -0.074 nan 4.420 nan 0.000 0.268 27 P C -0.605 176.684 177.300 -0.018 0.000 1.189 27 P CA 0.543 63.636 63.100 -0.012 0.000 0.771 27 P CB 0.454 32.144 31.700 -0.017 0.000 0.822 28 L N 1.450 122.661 121.223 -0.021 0.000 2.349 28 L HA 0.390 4.730 4.340 -0.000 0.000 0.278 28 L C -0.401 176.442 176.870 -0.046 0.000 0.996 28 L CA -1.262 53.556 54.840 -0.037 0.000 0.825 28 L CB 1.783 43.825 42.059 -0.027 0.000 1.243 28 L HN 0.025 nan 8.230 nan 0.000 0.412 29 V N 3.483 123.354 119.914 -0.071 0.000 2.439 29 V HA 0.023 4.143 4.120 -0.000 0.000 0.271 29 V C 0.243 176.282 176.094 -0.092 0.000 1.040 29 V CA -0.191 62.072 62.300 -0.063 0.000 1.002 29 V CB 0.459 32.240 31.823 -0.071 0.000 1.000 29 V HN 0.522 nan 8.190 nan 0.000 0.477 30 F N 5.409 125.269 119.950 -0.151 0.000 2.635 30 F HA 0.350 4.877 4.527 -0.000 0.000 0.379 30 F C 1.340 177.020 175.800 -0.199 0.000 1.094 30 F CA 1.104 59.002 58.000 -0.170 0.000 1.300 30 F CB 0.239 39.149 39.000 -0.151 0.000 1.035 30 F HN 0.844 nan 8.300 nan 0.000 0.581 31 G N 4.377 112.278 108.800 -1.498 0.000 2.166 31 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 31 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 31 G C 0.959 175.406 174.900 -0.755 0.000 0.986 31 G CA 0.543 44.885 45.100 -1.264 0.000 0.683 31 G HN 0.641 nan 8.290 nan 0.000 0.527 32 K N -0.405 119.600 120.400 -0.659 0.000 2.370 32 K HA 0.140 4.460 4.320 -0.000 0.000 0.194 32 K C 0.686 176.870 176.600 -0.694 0.000 1.070 32 K CA 0.704 56.704 56.287 -0.477 0.000 0.998 32 K CB 0.596 32.948 32.500 -0.246 0.000 0.911 32 K HN 0.367 nan 8.250 nan 0.000 0.533 33 T N 1.895 115.948 114.554 -0.836 0.000 2.771 33 T HA 0.539 4.889 4.350 -0.000 0.000 0.281 33 T C -0.475 173.583 174.700 -1.070 0.000 0.982 33 T CA -0.406 61.265 62.100 -0.716 0.000 0.978 33 T CB 0.584 69.256 68.868 -0.327 0.000 0.930 33 T HN -0.185 nan 8.240 nan 0.000 0.447 34 F N 1.208 120.849 119.950 -0.514 0.000 2.556 34 F HA 0.571 5.098 4.527 -0.000 0.000 0.327 34 F C 1.323 176.513 175.800 -1.017 0.000 1.059 34 F CA -1.115 56.448 58.000 -0.728 0.000 0.953 34 F CB 1.401 39.718 39.000 -1.139 0.000 1.227 34 F HN 0.554 nan 8.300 nan 0.000 0.478 35 T N -3.017 111.014 114.554 -0.871 0.000 2.771 35 T HA 0.153 4.503 4.350 -0.000 0.000 0.290 35 T C 0.638 174.823 174.700 -0.858 0.000 1.005 35 T CA -0.546 60.624 62.100 -1.550 0.000 0.944 35 T CB 0.663 68.813 68.868 -1.197 0.000 1.147 35 T HN 0.511 nan 8.240 nan 0.000 0.534 36 D N 0.108 120.171 120.400 -0.562 0.000 2.183 36 D HA 0.028 4.668 4.640 -0.000 0.000 0.203 36 D C 0.450 176.605 176.300 -0.241 0.000 0.969 36 D CA 1.404 55.338 54.000 -0.110 0.000 0.842 36 D CB -0.093 40.802 40.800 0.159 0.000 0.957 36 D HN 0.627 nan 8.370 nan 0.000 0.484 37 H N -1.262 117.839 119.070 0.052 0.000 2.754 37 H HA 0.606 5.163 4.556 0.000 0.000 0.352 37 H C 0.268 175.672 175.328 0.127 0.000 1.213 37 H CA -0.854 55.256 56.048 0.102 0.000 1.244 37 H CB 1.561 31.370 29.762 0.078 0.000 1.843 37 H HN -0.161 nan 8.280 nan 0.000 0.587 38 M N 0.287 120.012 119.600 0.210 0.000 2.644 38 M HA 0.485 4.965 4.480 -0.000 0.000 0.273 38 M C -1.956 174.397 176.300 0.088 0.000 1.253 38 M CA -1.212 54.167 55.300 0.132 0.000 0.852 38 M CB 2.426 35.040 32.600 0.023 0.000 1.708 38 M HN 0.412 nan 8.290 nan 0.000 0.471 39 L N 2.482 123.750 121.223 0.074 0.000 2.334 39 L HA 0.863 5.203 4.340 -0.000 0.000 0.275 39 L C -1.247 175.648 176.870 0.041 0.000 1.036 39 L CA -0.168 54.696 54.840 0.041 0.000 0.807 39 L CB 1.842 43.909 42.059 0.014 0.000 1.231 39 L HN 0.938 nan 8.230 nan 0.000 0.438 40 M N 5.234 124.836 119.600 0.002 0.000 2.238 40 M HA 0.661 5.141 4.480 -0.000 0.000 0.278 40 M C -2.094 174.182 176.300 -0.040 0.000 1.040 40 M CA -0.264 55.039 55.300 0.005 0.000 0.969 40 M CB 1.810 34.396 32.600 -0.023 0.000 1.694 40 M HN 0.202 nan 8.290 nan 0.000 0.472 41 V N 4.029 123.916 119.914 -0.045 0.000 2.623 41 V HA 0.587 4.707 4.120 -0.000 0.000 0.304 41 V C -0.703 175.487 176.094 0.160 0.000 1.054 41 V CA -0.784 61.475 62.300 -0.068 0.000 0.882 41 V CB 1.971 33.505 31.823 -0.481 0.000 1.002 41 V HN 0.823 nan 8.190 nan 0.000 0.424 42 E N 2.463 122.781 120.200 0.198 0.000 2.214 42 E HA 0.469 4.819 4.350 -0.000 0.000 0.274 42 E C -1.540 175.216 176.600 0.259 0.000 0.977 42 E CA -0.610 55.913 56.400 0.205 0.000 0.827 42 E CB 2.875 32.628 29.700 0.089 0.000 1.130 42 E HN 0.677 nan 8.360 nan 0.000 0.394 43 W N 3.370 124.570 121.300 -0.167 0.000 2.883 43 W HA 0.268 4.928 4.660 -0.000 0.000 0.335 43 W C -0.930 175.413 176.519 -0.294 0.000 1.083 43 W CA -0.205 56.864 57.345 -0.460 0.000 1.233 43 W CB 1.015 29.756 29.460 -1.198 0.000 1.412 43 W HN 0.695 nan 8.180 nan 0.000 0.490 44 N N 1.219 119.300 118.700 -1.031 0.000 3.574 44 N HA 0.248 4.988 4.740 -0.000 0.000 0.340 44 N C 0.447 175.221 175.510 -1.227 0.000 1.650 44 N CA 0.118 52.585 53.050 -0.972 0.000 0.762 44 N CB 0.115 38.340 38.487 -0.436 0.000 2.206 44 N HN 0.318 nan 8.380 nan 0.000 0.621 45 D N -0.255 119.731 120.400 -0.689 0.000 2.218 45 D HA -0.148 4.492 4.640 -0.000 0.000 0.204 45 D C 0.555 176.617 176.300 -0.396 0.000 0.976 45 D CA 1.347 55.046 54.000 -0.501 0.000 0.853 45 D CB -0.237 40.392 40.800 -0.284 0.000 0.939 45 D HN 0.615 nan 8.370 nan 0.000 0.481 46 K N 0.224 120.408 120.400 -0.361 0.000 2.505 46 K HA 0.323 4.643 4.320 -0.000 0.000 0.192 46 K C 1.063 177.534 176.600 -0.214 0.000 1.025 46 K CA 0.315 56.470 56.287 -0.220 0.000 1.086 46 K CB 0.306 32.717 32.500 -0.149 0.000 0.840 46 K HN 0.333 nan 8.250 nan 0.000 0.514 47 G N 1.086 109.624 108.800 -0.437 0.000 2.584 47 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.229 47 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.229 47 G C -1.148 173.639 174.900 -0.188 0.000 1.320 47 G CA -0.647 44.273 45.100 -0.301 0.000 0.891 47 G HN 0.281 nan 8.290 nan 0.000 0.573 48 W N 1.198 122.654 121.300 0.258 0.000 2.238 48 W HA 0.512 5.172 4.660 -0.000 0.000 0.321 48 W C 1.182 177.769 176.519 0.115 0.000 1.293 48 W CA 0.444 57.948 57.345 0.265 0.000 1.204 48 W CB 0.912 30.584 29.460 0.354 0.000 1.167 48 W HN 0.891 nan 8.180 nan 0.000 0.553 49 G N 1.261 110.272 108.800 0.352 0.000 2.510 49 G HA2 0.270 4.230 3.960 -0.000 0.000 0.280 49 G HA3 0.270 4.230 3.960 -0.000 0.000 0.280 49 G C -0.816 174.191 174.900 0.178 0.000 1.386 49 G CA -0.791 44.423 45.100 0.189 0.000 1.047 49 G HN 0.489 nan 8.290 nan 0.000 0.527 50 Q N 0.353 120.220 119.800 0.112 0.000 2.293 50 Q HA 0.242 4.582 4.340 -0.000 0.000 0.251 50 Q C -2.190 173.842 176.000 0.053 0.000 0.930 50 Q CA -1.288 54.573 55.803 0.097 0.000 0.893 50 Q CB 1.243 30.026 28.738 0.075 0.000 1.215 50 Q HN 0.215 nan 8.270 nan 0.000 0.425 51 P HA 0.103 nan 4.420 nan 0.000 0.272 51 P C -1.123 176.187 177.300 0.018 0.000 1.223 51 P CA -0.088 63.008 63.100 -0.006 0.000 0.784 51 P CB 0.603 32.361 31.700 0.096 0.000 0.923 52 R N 2.317 122.817 120.500 0.000 0.000 2.548 52 R HA 0.526 4.866 4.340 -0.000 0.000 0.280 52 R C -1.489 174.827 176.300 0.027 0.000 1.061 52 R CA -0.567 55.544 56.100 0.019 0.000 0.915 52 R CB 1.045 31.354 30.300 0.014 0.000 1.210 52 R HN 0.359 nan 8.270 nan 0.000 0.442 53 I N 5.232 125.830 120.570 0.046 0.000 2.321 53 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 53 I C -0.193 175.986 176.117 0.103 0.000 0.998 53 I CA -0.351 60.992 61.300 0.072 0.000 1.227 53 I CB 1.626 39.661 38.000 0.058 0.000 1.368 53 I HN 0.674 nan 8.210 nan 0.000 0.466 54 Q N 6.684 126.554 119.800 0.116 0.000 2.553 54 Q HA 0.626 4.966 4.340 -0.000 0.000 0.293 54 Q C -2.938 173.111 176.000 0.083 0.000 1.038 54 Q CA -2.373 53.489 55.803 0.099 0.000 0.777 54 Q CB 1.923 30.673 28.738 0.020 0.000 1.487 54 Q HN 0.170 nan 8.270 nan 0.000 0.426 55 P HA 0.007 nan 4.420 nan 0.000 0.268 55 P C -0.970 176.310 177.300 -0.033 0.000 1.205 55 P CA -0.016 63.022 63.100 -0.104 0.000 0.771 55 P CB 0.143 31.799 31.700 -0.072 0.000 0.858 56 F N 4.049 123.906 119.950 -0.156 0.000 2.623 56 F HA 0.035 4.562 4.527 -0.000 0.000 0.383 56 F C 0.830 176.555 175.800 -0.124 0.000 1.077 56 F CA 1.269 59.189 58.000 -0.134 0.000 1.268 56 F CB 0.193 39.112 39.000 -0.135 0.000 1.053 56 F HN 0.332 nan 8.300 nan 0.000 0.571 57 Q N 3.821 123.327 119.800 -0.489 0.000 2.578 57 Q HA 0.351 4.691 4.340 -0.000 0.000 0.284 57 Q C -1.564 174.164 176.000 -0.454 0.000 0.960 57 Q CA -1.356 54.261 55.803 -0.309 0.000 0.809 57 Q CB 0.884 29.508 28.738 -0.190 0.000 1.462 57 Q HN 0.497 nan 8.270 nan 0.000 0.392 58 N N 0.655 119.178 118.700 -0.295 0.000 2.415 58 N HA 0.286 5.026 4.740 -0.000 0.000 0.248 58 N C -0.456 174.870 175.510 -0.307 0.000 1.271 58 N CA 0.149 53.021 53.050 -0.297 0.000 0.913 58 N CB 0.431 38.808 38.487 -0.182 0.000 1.129 58 N HN 0.441 nan 8.380 nan 0.000 0.444 59 L N 0.522 121.556 121.223 -0.315 0.000 2.360 59 L HA 0.348 4.688 4.340 -0.000 0.000 0.271 59 L C 0.422 177.184 176.870 -0.179 0.000 1.057 59 L CA -0.396 54.270 54.840 -0.290 0.000 0.803 59 L CB 1.161 43.011 42.059 -0.349 0.000 1.207 59 L HN 0.342 nan 8.230 nan 0.000 0.445 60 T N 3.821 118.293 114.554 -0.137 0.000 2.809 60 T HA 0.605 4.955 4.350 -0.000 0.000 0.296 60 T C -0.356 174.310 174.700 -0.057 0.000 1.015 60 T CA -0.394 61.653 62.100 -0.089 0.000 0.954 60 T CB 0.609 69.433 68.868 -0.073 0.000 0.950 60 T HN 0.254 nan 8.240 nan 0.000 0.450 61 L N 2.626 123.826 121.223 -0.038 0.000 2.362 61 L HA 0.476 4.816 4.340 -0.000 0.000 0.271 61 L C 0.362 177.260 176.870 0.046 0.000 1.002 61 L CA -1.301 53.546 54.840 0.011 0.000 0.818 61 L CB 1.683 43.748 42.059 0.010 0.000 1.298 61 L HN 0.606 nan 8.230 nan 0.000 0.420 62 H N 3.776 122.838 119.070 -0.012 0.000 2.897 62 H HA 0.066 4.623 4.556 0.000 0.000 0.347 62 H C -1.956 173.380 175.328 0.013 0.000 1.068 62 H CA -1.012 55.032 56.048 -0.006 0.000 1.426 62 H CB 1.770 31.527 29.762 -0.008 0.000 1.410 62 H HN 0.332 nan 8.280 nan 0.000 0.597 63 P HA -0.044 nan 4.420 nan 0.000 0.222 63 P C 0.400 177.889 177.300 0.314 0.000 1.147 63 P CA 1.511 64.672 63.100 0.102 0.000 0.790 63 P CB 0.253 31.939 31.700 -0.024 0.000 0.780 64 A N -1.202 121.880 122.820 0.436 0.000 2.345 64 A HA 0.167 4.487 4.320 -0.000 0.000 0.225 64 A C 0.982 178.566 177.584 0.001 0.000 1.243 64 A CA -0.059 52.016 52.037 0.063 0.000 0.875 64 A CB -0.789 18.194 19.000 -0.027 0.000 0.929 64 A HN 0.109 nan 8.150 nan 0.000 0.502 65 S N 1.117 116.917 115.700 0.167 0.000 2.673 65 S HA 0.042 4.512 4.470 -0.000 0.000 0.308 65 S C 1.621 176.287 174.600 0.110 0.000 1.246 65 S CA 0.432 58.693 58.200 0.102 0.000 1.077 65 S CB 0.180 63.447 63.200 0.112 0.000 0.814 65 S HN 0.815 nan 8.310 nan 0.000 0.503 66 S N 3.767 119.504 115.700 0.062 0.000 2.465 66 S HA -0.145 4.325 4.470 -0.000 0.000 0.241 66 S C 1.981 176.634 174.600 0.088 0.000 1.000 66 S CA 1.079 59.332 58.200 0.088 0.000 0.964 66 S CB -0.759 62.542 63.200 0.168 0.000 0.763 66 S HN 0.985 nan 8.310 nan 0.000 0.512 67 S N 1.965 117.715 115.700 0.083 0.000 2.423 67 S HA 0.095 4.565 4.470 -0.000 0.000 0.231 67 S C 1.635 176.258 174.600 0.039 0.000 1.014 67 S CA 0.823 59.068 58.200 0.075 0.000 0.965 67 S CB -0.651 62.598 63.200 0.083 0.000 0.785 67 S HN 0.583 nan 8.310 nan 0.000 0.495 68 L N -0.470 120.762 121.223 0.014 0.000 2.556 68 L HA 0.281 4.621 4.340 -0.000 0.000 0.226 68 L C 2.530 179.245 176.870 -0.257 0.000 1.089 68 L CA 0.406 55.191 54.840 -0.091 0.000 0.864 68 L CB -0.288 41.707 42.059 -0.107 0.000 1.067 68 L HN 0.369 nan 8.230 nan 0.000 0.477 69 H N -1.311 117.580 119.070 -0.298 0.000 2.439 69 H HA 0.107 4.663 4.556 -0.000 0.000 0.299 69 H C 0.564 175.490 175.328 -0.669 0.000 1.033 69 H CA 0.973 56.655 56.048 -0.610 0.000 1.348 69 H CB 0.760 29.893 29.762 -1.048 0.000 1.449 69 H HN 0.221 nan 8.280 nan 0.000 0.544 70 Y N 0.058 120.445 120.300 0.146 0.000 2.716 70 Y HA 0.261 4.811 4.550 0.000 0.000 0.260 70 Y C 0.915 176.851 175.900 0.060 0.000 1.141 70 Y CA -0.709 57.440 58.100 0.083 0.000 1.168 70 Y CB 0.527 39.027 38.460 0.066 0.000 1.189 70 Y HN -0.082 nan 8.280 nan 0.000 0.549 71 S N 0.910 116.688 115.700 0.130 0.000 3.614 71 S HA -0.205 4.265 4.470 -0.000 0.000 0.360 71 S C -0.047 174.621 174.600 0.114 0.000 1.023 71 S CA 0.107 58.372 58.200 0.108 0.000 1.114 71 S CB -1.392 61.871 63.200 0.107 0.000 0.907 71 S HN 0.484 nan 8.310 nan 0.000 0.470 72 L N 2.387 123.680 121.223 0.117 0.000 2.395 72 L HA 0.308 4.648 4.340 -0.000 0.000 0.268 72 L C 0.560 177.484 176.870 0.089 0.000 1.223 72 L CA 0.144 55.041 54.840 0.095 0.000 1.093 72 L CB -0.173 41.944 42.059 0.097 0.000 1.349 72 L HN 0.535 nan 8.230 nan 0.000 0.427 73 Q N 4.190 124.047 119.800 0.096 0.000 2.353 73 Q HA 0.749 5.089 4.340 -0.000 0.000 0.275 73 Q C -1.613 174.472 176.000 0.142 0.000 1.029 73 Q CA -1.049 54.821 55.803 0.111 0.000 0.848 73 Q CB 2.789 31.599 28.738 0.120 0.000 1.390 73 Q HN 0.303 nan 8.270 nan 0.000 0.401 74 L N -0.547 120.763 121.223 0.144 0.000 2.469 74 L HA 0.860 5.200 4.340 -0.000 0.000 0.256 74 L C -1.626 175.370 176.870 0.209 0.000 1.006 74 L CA -0.906 54.034 54.840 0.166 0.000 0.832 74 L CB 1.759 43.857 42.059 0.065 0.000 1.421 74 L HN 0.906 nan 8.230 nan 0.000 0.410 75 F N -1.174 118.765 119.950 -0.018 0.000 2.715 75 F HA 0.937 5.464 4.527 0.000 0.000 0.318 75 F C -0.837 174.936 175.800 -0.044 0.000 1.141 75 F CA -0.614 57.345 58.000 -0.068 0.000 0.950 75 F CB 1.313 40.266 39.000 -0.079 0.000 1.374 75 F HN 0.563 nan 8.300 nan 0.000 0.477 76 E N -0.380 119.842 120.200 0.038 0.000 2.445 76 E HA 0.709 5.059 4.350 -0.000 0.000 0.273 76 E C -1.333 175.301 176.600 0.055 0.000 0.961 76 E CA -0.972 55.381 56.400 -0.079 0.000 0.807 76 E CB 2.137 31.781 29.700 -0.092 0.000 1.362 76 E HN 1.082 nan 8.360 nan 0.000 0.453 77 G N 1.050 109.829 108.800 -0.035 0.000 2.711 77 G HA2 0.593 4.553 3.960 -0.000 0.000 0.288 77 G HA3 0.593 4.553 3.960 -0.000 0.000 0.288 77 G C -0.634 174.165 174.900 -0.170 0.000 1.451 77 G CA -0.523 44.496 45.100 -0.135 0.000 1.186 77 G HN 0.315 nan 8.290 nan 0.000 0.560 78 M N 0.367 119.752 119.600 -0.359 0.000 2.721 78 M HA 0.736 5.216 4.480 -0.000 0.000 0.271 78 M C -1.709 174.474 176.300 -0.195 0.000 1.259 78 M CA -1.117 54.088 55.300 -0.158 0.000 0.835 78 M CB 2.341 34.867 32.600 -0.124 0.000 1.689 78 M HN 0.221 nan 8.290 nan 0.000 0.470 79 K N 0.644 121.003 120.400 -0.068 0.000 2.267 79 K HA 0.878 5.198 4.320 -0.000 0.000 0.246 79 K C -1.375 175.091 176.600 -0.223 0.000 0.954 79 K CA -0.818 55.337 56.287 -0.219 0.000 0.824 79 K CB 2.605 34.836 32.500 -0.449 0.000 1.167 79 K HN 0.810 nan 8.250 nan 0.000 0.431 80 A N 2.568 125.187 122.820 -0.335 0.000 2.331 80 A HA 0.712 5.032 4.320 -0.000 0.000 0.320 80 A C -1.347 176.039 177.584 -0.331 0.000 1.138 80 A CA -0.585 51.366 52.037 -0.143 0.000 0.790 80 A CB 0.208 19.186 19.000 -0.038 0.000 1.206 80 A HN 0.529 nan 8.150 nan 0.000 0.470 81 F N 1.190 121.103 119.950 -0.061 0.000 2.495 81 F HA 0.522 5.049 4.527 0.000 0.000 0.327 81 F C 0.470 176.249 175.800 -0.035 0.000 1.103 81 F CA -0.594 57.314 58.000 -0.154 0.000 0.949 81 F CB 2.190 40.852 39.000 -0.564 0.000 1.142 81 F HN 0.546 nan 8.300 nan 0.000 0.457 82 K N 2.049 122.589 120.400 0.234 0.000 2.240 82 K HA 0.603 4.923 4.320 -0.000 0.000 0.271 82 K C 0.414 177.196 176.600 0.303 0.000 1.018 82 K CA -0.381 56.034 56.287 0.213 0.000 0.874 82 K CB 0.917 33.518 32.500 0.167 0.000 1.098 82 K HN 0.863 nan 8.250 nan 0.000 0.458 83 G N 2.667 111.611 108.800 0.241 0.000 2.486 83 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.272 83 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.272 83 G C 0.633 175.642 174.900 0.180 0.000 1.426 83 G CA -0.294 44.961 45.100 0.258 0.000 1.058 83 G HN 0.753 nan 8.290 nan 0.000 0.531 84 K N 0.195 120.675 120.400 0.133 0.000 2.044 84 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 84 K C 1.439 178.081 176.600 0.070 0.000 1.049 84 K CA 1.613 57.950 56.287 0.084 0.000 0.945 84 K CB -0.776 31.761 32.500 0.061 0.000 0.724 84 K HN 0.493 nan 8.250 nan 0.000 0.440 85 D N 1.082 121.524 120.400 0.069 0.000 2.400 85 D HA -0.134 4.506 4.640 -0.000 0.000 0.242 85 D C 0.304 176.637 176.300 0.055 0.000 1.077 85 D CA 0.398 54.430 54.000 0.054 0.000 0.943 85 D CB -0.123 40.708 40.800 0.051 0.000 0.882 85 D HN 0.208 nan 8.370 nan 0.000 0.529 86 Q N -1.699 118.142 119.800 0.068 0.000 2.416 86 Q HA -0.252 4.088 4.340 -0.000 0.000 0.235 86 Q C -0.650 175.391 176.000 0.068 0.000 0.773 86 Q CA 0.896 56.739 55.803 0.066 0.000 1.286 86 Q CB -2.002 26.763 28.738 0.045 0.000 1.556 86 Q HN 0.543 nan 8.270 nan 0.000 0.650 87 Q N -0.529 119.315 119.800 0.074 0.000 2.267 87 Q HA 0.575 4.915 4.340 -0.000 0.000 0.255 87 Q C -0.945 175.106 176.000 0.086 0.000 0.923 87 Q CA -0.165 55.677 55.803 0.066 0.000 0.925 87 Q CB 1.392 30.165 28.738 0.059 0.000 1.195 87 Q HN 0.158 nan 8.270 nan 0.000 0.417 88 V N 4.613 124.570 119.914 0.072 0.000 2.483 88 V HA 0.597 4.717 4.120 -0.000 0.000 0.295 88 V C -0.255 175.888 176.094 0.082 0.000 1.035 88 V CA -0.620 61.733 62.300 0.088 0.000 0.896 88 V CB 1.617 33.486 31.823 0.077 0.000 0.986 88 V HN 0.721 nan 8.190 nan 0.000 0.447 89 R N 3.977 124.555 120.500 0.130 0.000 2.673 89 R HA 0.660 5.000 4.340 -0.000 0.000 0.281 89 R C -1.567 174.875 176.300 0.236 0.000 0.991 89 R CA -0.832 55.358 56.100 0.151 0.000 0.896 89 R CB 2.332 32.720 30.300 0.147 0.000 1.201 89 R HN 0.529 nan 8.270 nan 0.000 0.457 90 L N 2.462 123.829 121.223 0.240 0.000 2.307 90 L HA 0.426 4.766 4.340 -0.000 0.000 0.282 90 L C -0.516 176.501 176.870 0.245 0.000 1.051 90 L CA -0.684 54.286 54.840 0.216 0.000 0.804 90 L CB 0.843 42.965 42.059 0.105 0.000 1.197 90 L HN 0.476 nan 8.230 nan 0.000 0.431 91 F N 3.967 123.999 119.950 0.137 0.000 2.421 91 F HA 0.299 4.826 4.527 -0.000 0.000 0.358 91 F C 0.847 176.622 175.800 -0.043 0.000 1.115 91 F CA -0.669 57.382 58.000 0.084 0.000 1.160 91 F CB 0.076 39.165 39.000 0.148 0.000 1.123 91 F HN 0.463 nan 8.300 nan 0.000 0.508 92 R N 4.210 124.398 120.500 -0.519 0.000 3.266 92 R HA -0.210 4.130 4.340 -0.000 0.000 0.245 92 R C -2.095 173.995 176.300 -0.351 0.000 0.941 92 R CA 0.449 56.304 56.100 -0.408 0.000 0.638 92 R CB -1.645 28.155 30.300 -0.832 0.000 1.019 92 R HN 0.509 nan 8.270 nan 0.000 0.462 93 P HA -0.215 nan 4.420 nan 0.000 0.216 93 P C 1.173 178.189 177.300 -0.473 0.000 1.150 93 P CA 1.218 63.954 63.100 -0.608 0.000 0.843 93 P CB -0.179 30.959 31.700 -0.937 0.000 0.787 94 W N -0.447 120.713 121.300 -0.232 0.000 2.321 94 W HA -0.127 4.533 4.660 0.000 0.000 0.306 94 W C 2.041 178.466 176.519 -0.157 0.000 1.217 94 W CA 0.818 58.051 57.345 -0.187 0.000 1.257 94 W CB -1.468 27.899 29.460 -0.155 0.000 1.145 94 W HN 0.014 nan 8.180 nan 0.000 0.509 95 L N 0.364 121.625 121.223 0.064 0.000 2.083 95 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 95 L C 2.236 179.072 176.870 -0.057 0.000 1.083 95 L CA 1.223 56.048 54.840 -0.025 0.000 0.752 95 L CB -1.027 40.975 42.059 -0.095 0.000 0.899 95 L HN 0.035 nan 8.230 nan 0.000 0.433 96 N N -0.180 118.466 118.700 -0.089 0.000 2.188 96 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 96 N C 1.878 177.357 175.510 -0.052 0.000 1.018 96 N CA 1.226 54.223 53.050 -0.087 0.000 0.858 96 N CB -0.049 38.367 38.487 -0.119 0.000 0.989 96 N HN 0.298 nan 8.380 nan 0.000 0.426 97 M N 1.133 120.706 119.600 -0.046 0.000 2.132 97 M HA -0.082 4.397 4.480 -0.000 0.000 0.263 97 M C 1.281 177.591 176.300 0.016 0.000 1.065 97 M CA 1.183 56.497 55.300 0.024 0.000 1.122 97 M CB -1.031 31.576 32.600 0.013 0.000 1.365 97 M HN -0.012 nan 8.290 nan 0.000 0.411 98 D N 0.011 120.405 120.400 -0.010 0.000 2.104 98 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 98 D C 2.120 178.401 176.300 -0.032 0.000 0.994 98 D CA 1.231 55.212 54.000 -0.031 0.000 0.830 98 D CB -0.325 40.459 40.800 -0.026 0.000 0.959 98 D HN 0.322 nan 8.370 nan 0.000 0.452 99 R N 0.010 120.492 120.500 -0.030 0.000 2.096 99 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 99 R C 2.339 178.642 176.300 0.004 0.000 1.127 99 R CA 0.967 57.051 56.100 -0.027 0.000 0.968 99 R CB -0.223 30.043 30.300 -0.057 0.000 0.861 99 R HN 0.150 nan 8.270 nan 0.000 0.440 100 M N 0.153 119.763 119.600 0.018 0.000 2.117 100 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 100 M C 1.903 178.257 176.300 0.089 0.000 1.065 100 M CA 1.465 56.811 55.300 0.077 0.000 1.114 100 M CB -0.024 32.674 32.600 0.163 0.000 1.361 100 M HN 0.286 nan 8.290 nan 0.000 0.408 101 L N 0.335 121.552 121.223 -0.010 0.000 2.093 101 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 101 L C 2.391 179.214 176.870 -0.079 0.000 1.085 101 L CA 1.702 56.433 54.840 -0.182 0.000 0.755 101 L CB -0.486 41.362 42.059 -0.353 0.000 0.904 101 L HN 0.237 nan 8.230 nan 0.000 0.435 102 R N -1.396 119.099 120.500 -0.008 0.000 2.081 102 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 102 R C 2.301 178.659 176.300 0.095 0.000 1.131 102 R CA 1.525 57.670 56.100 0.075 0.000 0.960 102 R CB -0.428 29.957 30.300 0.142 0.000 0.856 102 R HN 0.354 nan 8.270 nan 0.000 0.436 103 S N 0.727 116.494 115.700 0.111 0.000 2.368 103 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 103 S C 2.078 176.641 174.600 -0.061 0.000 1.030 103 S CA 1.246 59.468 58.200 0.038 0.000 0.999 103 S CB -0.214 63.023 63.200 0.061 0.000 0.844 103 S HN 0.480 nan 8.310 nan 0.000 0.459 104 A N 1.195 124.010 122.820 -0.009 0.000 1.892 104 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 104 A C 2.130 179.666 177.584 -0.080 0.000 1.188 104 A CA 1.944 53.974 52.037 -0.012 0.000 0.631 104 A CB -0.631 18.401 19.000 0.052 0.000 0.822 104 A HN 0.417 nan 8.150 nan 0.000 0.447 105 M N -1.302 118.240 119.600 -0.097 0.000 2.229 105 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 105 M C 2.050 178.259 176.300 -0.152 0.000 1.063 105 M CA 1.506 56.741 55.300 -0.110 0.000 1.114 105 M CB -0.359 32.190 32.600 -0.086 0.000 1.387 105 M HN 0.402 nan 8.290 nan 0.000 0.420 106 R N 0.144 120.494 120.500 -0.251 0.000 2.120 106 R HA 0.012 4.352 4.340 -0.000 0.000 0.234 106 R C 1.148 177.299 176.300 -0.248 0.000 1.123 106 R CA 1.504 57.373 56.100 -0.385 0.000 0.975 106 R CB -0.671 29.057 30.300 -0.953 0.000 0.866 106 R HN 0.418 nan 8.270 nan 0.000 0.446 107 L N -0.597 120.517 121.223 -0.182 0.000 2.653 107 L HA 0.134 4.474 4.340 -0.000 0.000 0.231 107 L C 0.076 176.898 176.870 -0.080 0.000 1.153 107 L CA -0.279 54.498 54.840 -0.105 0.000 0.933 107 L CB -0.012 42.008 42.059 -0.065 0.000 1.175 107 L HN 0.213 nan 8.230 nan 0.000 0.473 108 C N 0.572 119.816 119.300 -0.095 0.000 4.274 108 C HA -0.193 4.267 4.460 -0.000 0.000 0.297 108 C C 0.928 175.848 174.990 -0.117 0.000 1.446 108 C CA 0.045 59.010 59.018 -0.088 0.000 2.016 108 C CB -3.162 24.543 27.740 -0.060 0.000 1.273 108 C HN 0.388 nan 8.230 nan 0.000 0.782 109 L N 0.348 121.492 121.223 -0.131 0.000 2.375 109 L HA 0.469 4.809 4.340 -0.000 0.000 0.268 109 L C -1.786 174.905 176.870 -0.298 0.000 1.058 109 L CA -1.849 52.873 54.840 -0.195 0.000 0.803 109 L CB 0.608 42.614 42.059 -0.088 0.000 1.212 109 L HN -0.128 nan 8.230 nan 0.000 0.451 110 P HA -0.023 nan 4.420 nan 0.000 0.263 110 P C -0.523 176.760 177.300 -0.029 0.000 1.195 110 P CA 0.145 62.819 63.100 -0.710 0.000 0.762 110 P CB 0.648 31.264 31.700 -1.807 0.000 0.799 111 S N 3.206 118.904 115.700 -0.004 0.000 2.593 111 S HA 0.642 5.111 4.470 -0.000 0.000 0.269 111 S C -0.452 174.353 174.600 0.341 0.000 1.334 111 S CA -0.328 57.890 58.200 0.029 0.000 1.015 111 S CB -0.374 62.799 63.200 -0.044 0.000 0.912 111 S HN 0.340 nan 8.310 nan 0.000 0.541 112 F N 0.178 120.240 119.950 0.187 0.000 2.715 112 F HA 0.543 5.070 4.527 -0.000 0.000 0.318 112 F C -0.834 174.923 175.800 -0.071 0.000 1.141 112 F CA -1.392 56.666 58.000 0.097 0.000 0.950 112 F CB 0.593 39.616 39.000 0.038 0.000 1.374 112 F HN 0.393 nan 8.300 nan 0.000 0.477 113 D N 1.566 121.967 120.400 0.001 0.000 2.316 113 D HA 0.181 4.821 4.640 -0.000 0.000 0.245 113 D C 0.519 176.812 176.300 -0.012 0.000 1.171 113 D CA 0.006 53.941 54.000 -0.108 0.000 0.856 113 D CB 1.486 42.166 40.800 -0.201 0.000 1.090 113 D HN 0.675 nan 8.370 nan 0.000 0.476 114 K N 2.832 123.218 120.400 -0.023 0.000 2.103 114 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 114 K C 1.877 178.476 176.600 -0.001 0.000 1.048 114 K CA 0.970 57.290 56.287 0.056 0.000 0.930 114 K CB 0.222 32.717 32.500 -0.008 0.000 0.716 114 K HN 0.494 nan 8.250 nan 0.000 0.444 115 L N 0.842 122.043 121.223 -0.037 0.000 2.179 115 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 115 L C 2.322 179.131 176.870 -0.100 0.000 1.096 115 L CA 0.726 55.543 54.840 -0.038 0.000 0.779 115 L CB -0.256 41.807 42.059 0.007 0.000 0.922 115 L HN 0.133 nan 8.230 nan 0.000 0.443 116 E N 0.233 120.314 120.200 -0.199 0.000 2.072 116 E HA -0.217 4.132 4.350 -0.000 0.000 0.191 116 E C 2.133 178.535 176.600 -0.331 0.000 0.985 116 E CA 1.048 57.247 56.400 -0.335 0.000 0.801 116 E CB -0.313 29.001 29.700 -0.643 0.000 0.750 116 E HN 0.266 nan 8.360 nan 0.000 0.452 117 L N 1.143 122.176 121.223 -0.318 0.000 2.017 117 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 117 L C 2.321 179.134 176.870 -0.094 0.000 1.073 117 L CA 1.264 56.036 54.840 -0.115 0.000 0.745 117 L CB -0.752 41.245 42.059 -0.104 0.000 0.894 117 L HN 0.106 nan 8.230 nan 0.000 0.432 118 L N -0.421 120.719 121.223 -0.137 0.000 2.079 118 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 118 L C 2.467 179.279 176.870 -0.098 0.000 1.081 118 L CA 1.771 56.480 54.840 -0.219 0.000 0.752 118 L CB -0.963 40.850 42.059 -0.410 0.000 0.896 118 L HN 0.346 nan 8.230 nan 0.000 0.433 119 E N -0.538 119.645 120.200 -0.028 0.000 2.051 119 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 119 E C 2.318 178.947 176.600 0.048 0.000 0.991 119 E CA 1.632 58.066 56.400 0.058 0.000 0.799 119 E CB -0.676 29.046 29.700 0.036 0.000 0.748 119 E HN 0.625 nan 8.360 nan 0.000 0.449 120 C N 0.365 119.682 119.300 0.028 0.000 2.413 120 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 120 C C 2.783 177.792 174.990 0.032 0.000 1.265 120 C CA 0.367 59.415 59.018 0.050 0.000 1.752 120 C CB -1.053 26.746 27.740 0.099 0.000 1.998 120 C HN 0.399 nan 8.230 nan 0.000 0.489 121 I N 0.251 120.824 120.570 0.005 0.000 2.252 121 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 121 I C 2.891 179.029 176.117 0.034 0.000 1.102 121 I CA 1.321 62.617 61.300 -0.007 0.000 1.385 121 I CB -0.559 37.403 38.000 -0.063 0.000 1.064 121 I HN 0.327 nan 8.210 nan 0.000 0.414 122 R N 0.945 121.492 120.500 0.080 0.000 2.081 122 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 122 R C 2.488 178.835 176.300 0.078 0.000 1.131 122 R CA 1.330 57.514 56.100 0.140 0.000 0.960 122 R CB -0.045 30.406 30.300 0.253 0.000 0.856 122 R HN 0.224 nan 8.270 nan 0.000 0.436 123 R N 0.581 121.117 120.500 0.061 0.000 2.081 123 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 123 R C 2.335 178.650 176.300 0.026 0.000 1.131 123 R CA 0.973 57.096 56.100 0.038 0.000 0.960 123 R CB -0.938 29.384 30.300 0.036 0.000 0.856 123 R HN 0.268 nan 8.270 nan 0.000 0.436 124 L N 1.192 122.434 121.223 0.032 0.000 1.994 124 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 124 L C 2.237 179.129 176.870 0.038 0.000 1.071 124 L CA 1.619 56.478 54.840 0.032 0.000 0.745 124 L CB -0.417 41.668 42.059 0.043 0.000 0.892 124 L HN 0.043 nan 8.230 nan 0.000 0.431 125 I N -0.469 120.129 120.570 0.046 0.000 2.286 125 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 125 I C 2.517 178.671 176.117 0.061 0.000 1.115 125 I CA 1.571 62.907 61.300 0.059 0.000 1.392 125 I CB -0.458 37.576 38.000 0.057 0.000 1.065 125 I HN 0.485 nan 8.210 nan 0.000 0.418 126 E N 1.086 121.313 120.200 0.045 0.000 2.058 126 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 126 E C 2.293 178.908 176.600 0.026 0.000 0.997 126 E CA 1.698 58.118 56.400 0.034 0.000 0.801 126 E CB 0.118 29.831 29.700 0.022 0.000 0.746 126 E HN 0.264 nan 8.360 nan 0.000 0.450 127 V N 1.399 121.311 119.914 -0.003 0.000 2.407 127 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 127 V C 1.412 177.508 176.094 0.004 0.000 1.055 127 V CA 1.932 64.197 62.300 -0.059 0.000 1.049 127 V CB -0.281 31.432 31.823 -0.183 0.000 0.662 127 V HN 0.264 nan 8.190 nan 0.000 0.455 128 D N -0.847 119.606 120.400 0.089 0.000 2.358 128 D HA 0.062 4.702 4.640 -0.000 0.000 0.224 128 D C 1.847 178.313 176.300 0.276 0.000 1.123 128 D CA -0.016 54.144 54.000 0.267 0.000 0.833 128 D CB 0.146 41.089 40.800 0.237 0.000 0.946 128 D HN 0.327 nan 8.370 nan 0.000 0.505 129 K N 0.639 121.132 120.400 0.155 0.000 2.097 129 K HA -0.226 4.094 4.320 -0.000 0.000 0.214 129 K C 1.474 178.149 176.600 0.126 0.000 1.052 129 K CA 1.257 57.616 56.287 0.120 0.000 0.932 129 K CB 0.053 32.597 32.500 0.073 0.000 0.716 129 K HN 0.187 nan 8.250 nan 0.000 0.455 130 D N -0.777 119.686 120.400 0.105 0.000 2.221 130 D HA -0.167 4.473 4.640 -0.000 0.000 0.204 130 D C 1.568 177.854 176.300 -0.023 0.000 0.982 130 D CA 0.936 54.939 54.000 0.006 0.000 0.857 130 D CB -0.046 40.709 40.800 -0.075 0.000 0.934 130 D HN 0.323 nan 8.370 nan 0.000 0.475 131 W N 0.809 122.133 121.300 0.040 0.000 2.519 131 W HA -0.014 4.646 4.660 -0.000 0.000 0.266 131 W C 0.770 177.304 176.519 0.025 0.000 1.253 131 W CA -0.012 57.352 57.345 0.032 0.000 1.274 131 W CB -0.191 29.292 29.460 0.039 0.000 1.114 131 W HN -0.268 nan 8.180 nan 0.000 0.596 132 V N 3.415 123.460 119.914 0.218 0.000 2.450 132 V HA 0.023 4.143 4.120 -0.000 0.000 0.281 132 V C -1.677 174.483 176.094 0.111 0.000 1.019 132 V CA -1.571 60.816 62.300 0.144 0.000 1.062 132 V CB -0.439 31.452 31.823 0.114 0.000 0.979 132 V HN -0.268 nan 8.190 nan 0.000 0.477 133 P HA 0.232 nan 4.420 nan 0.000 0.273 133 P C -0.224 177.150 177.300 0.123 0.000 1.250 133 P CA -0.176 62.981 63.100 0.095 0.000 0.793 133 P CB 0.501 32.258 31.700 0.095 0.000 1.011 134 D N -2.066 118.397 120.400 0.105 0.000 2.562 134 D HA 0.272 4.912 4.640 -0.000 0.000 0.246 134 D C 0.042 176.389 176.300 0.079 0.000 1.347 134 D CA -0.347 53.728 54.000 0.126 0.000 0.800 134 D CB -0.544 40.318 40.800 0.103 0.000 1.111 134 D HN 0.290 nan 8.370 nan 0.000 0.508 135 A N 0.645 123.503 122.820 0.063 0.000 2.332 135 A HA 0.696 5.016 4.320 -0.000 0.000 0.258 135 A C 0.769 178.356 177.584 0.005 0.000 1.087 135 A CA -0.149 51.903 52.037 0.026 0.000 0.802 135 A CB 0.277 19.294 19.000 0.029 0.000 1.042 135 A HN 0.444 nan 8.150 nan 0.000 0.489 136 A N -0.094 122.700 122.820 -0.043 0.000 2.540 136 A HA 0.458 4.778 4.320 -0.000 0.000 0.239 136 A C 1.616 179.195 177.584 -0.007 0.000 1.061 136 A CA 0.866 52.843 52.037 -0.100 0.000 0.758 136 A CB -0.936 18.017 19.000 -0.080 0.000 0.991 136 A HN 2.749 nan 8.150 nan 0.000 0.502 137 G N 1.590 110.399 108.800 0.016 0.000 2.184 137 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.264 137 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.264 137 G C 0.603 175.632 174.900 0.216 0.000 0.975 137 G CA 1.380 46.576 45.100 0.161 0.000 0.642 137 G HN 2.186 nan 8.290 nan 0.000 0.536 138 T N -1.490 113.195 114.554 0.219 0.000 2.927 138 T HA 0.856 5.206 4.350 -0.000 0.000 0.281 138 T C 0.152 174.987 174.700 0.225 0.000 0.998 138 T CA 0.746 62.958 62.100 0.187 0.000 1.019 138 T CB 2.327 71.275 68.868 0.132 0.000 1.061 138 T HN 1.937 nan 8.240 nan 0.000 0.518 139 S N 0.702 116.452 115.700 0.085 0.000 2.656 139 S HA 0.555 5.025 4.470 -0.000 0.000 0.265 139 S C -1.852 172.717 174.600 -0.052 0.000 1.132 139 S CA -1.133 57.016 58.200 -0.085 0.000 0.819 139 S CB 0.939 63.864 63.200 -0.459 0.000 1.119 139 S HN 0.970 nan 8.310 nan 0.000 0.476 140 L N 1.819 122.972 121.223 -0.117 0.000 2.296 140 L HA 0.658 4.998 4.340 -0.000 0.000 0.286 140 L C -1.319 175.551 176.870 -0.000 0.000 1.023 140 L CA -0.503 54.330 54.840 -0.012 0.000 0.812 140 L CB 1.159 43.222 42.059 0.007 0.000 1.223 140 L HN 0.806 nan 8.230 nan 0.000 0.421 141 Y N 4.853 125.132 120.300 -0.034 0.000 2.327 141 Y HA 0.561 5.111 4.550 -0.000 0.000 0.336 141 Y C -0.673 175.237 175.900 0.018 0.000 1.035 141 Y CA -0.418 57.691 58.100 0.015 0.000 1.165 141 Y CB 1.154 39.700 38.460 0.144 0.000 1.181 141 Y HN 0.368 nan 8.280 nan 0.000 0.494 142 V N 7.553 127.203 119.914 -0.440 0.000 2.394 142 V HA 0.425 4.545 4.120 -0.000 0.000 0.282 142 V C -0.496 175.332 176.094 -0.444 0.000 1.031 142 V CA -0.816 61.300 62.300 -0.307 0.000 0.881 142 V CB 1.233 32.924 31.823 -0.221 0.000 0.982 142 V HN 0.596 nan 8.190 nan 0.000 0.451 143 R N 7.027 127.421 120.500 -0.176 0.000 2.402 143 R HA 0.512 4.852 4.340 -0.000 0.000 0.290 143 R C -3.048 173.205 176.300 -0.077 0.000 1.321 143 R CA -2.125 53.928 56.100 -0.079 0.000 1.283 143 R CB 1.131 31.505 30.300 0.123 0.000 1.111 143 R HN 0.385 nan 8.270 nan 0.000 0.578 144 P HA 0.294 nan 4.420 nan 0.000 0.277 144 P C -1.101 176.063 177.300 -0.227 0.000 1.240 144 P CA -0.487 62.503 63.100 -0.184 0.000 0.798 144 P CB 1.383 32.991 31.700 -0.154 0.000 0.979 145 V N 2.168 121.821 119.914 -0.435 0.000 2.969 145 V HA 0.408 4.528 4.120 -0.000 0.000 0.304 145 V C -1.141 174.708 176.094 -0.409 0.000 1.192 145 V CA -0.545 61.471 62.300 -0.474 0.000 0.962 145 V CB 2.207 33.448 31.823 -0.970 0.000 1.045 145 V HN 0.314 nan 8.190 nan 0.000 0.428 146 L N 6.218 127.349 121.223 -0.154 0.000 2.409 146 L HA 0.840 5.180 4.340 -0.000 0.000 0.272 146 L C -0.795 176.094 176.870 0.032 0.000 0.980 146 L CA -0.217 54.605 54.840 -0.030 0.000 0.826 146 L CB 1.599 43.688 42.059 0.051 0.000 1.268 146 L HN 0.709 nan 8.230 nan 0.000 0.407 147 I N 1.092 121.711 120.570 0.082 0.000 2.730 147 I HA 0.869 5.039 4.170 -0.000 0.000 0.298 147 I C 0.317 176.490 176.117 0.094 0.000 1.089 147 I CA -0.877 60.483 61.300 0.100 0.000 1.041 147 I CB 2.146 40.231 38.000 0.142 0.000 1.235 147 I HN 0.685 nan 8.210 nan 0.000 0.423 148 G N 1.957 110.806 108.800 0.081 0.000 2.527 148 G HA2 0.242 4.202 3.960 -0.000 0.000 0.248 148 G HA3 0.242 4.202 3.960 -0.000 0.000 0.248 148 G C -0.260 174.692 174.900 0.088 0.000 1.231 148 G CA -0.186 44.961 45.100 0.078 0.000 0.838 148 G HN 0.795 nan 8.290 nan 0.000 0.570 149 N N -0.528 118.222 118.700 0.084 0.000 2.622 149 N HA 0.069 4.809 4.740 -0.000 0.000 0.293 149 N C -0.718 174.809 175.510 0.028 0.000 1.788 149 N CA -0.440 52.649 53.050 0.064 0.000 0.860 149 N CB 0.752 39.282 38.487 0.071 0.000 1.388 149 N HN 0.498 nan 8.380 nan 0.000 0.496 150 E N 0.654 120.867 120.200 0.021 0.000 2.259 150 E HA 0.354 4.704 4.350 -0.000 0.000 0.281 150 E C -2.305 174.227 176.600 -0.114 0.000 1.037 150 E CA -2.115 54.267 56.400 -0.029 0.000 0.854 150 E CB 1.027 30.732 29.700 0.008 0.000 1.051 150 E HN 0.132 nan 8.360 nan 0.000 0.409 151 P HA 0.149 nan 4.420 nan 0.000 0.218 151 P C -1.475 175.602 177.300 -0.372 0.000 1.793 151 P CA -0.064 62.685 63.100 -0.585 0.000 0.941 151 P CB 0.315 31.509 31.700 -0.843 0.000 1.919 152 S N 0.260 115.840 115.700 -0.199 0.000 2.543 152 S HA 0.322 4.792 4.470 -0.000 0.000 0.271 152 S C 0.286 174.851 174.600 -0.057 0.000 1.148 152 S CA -0.671 57.462 58.200 -0.111 0.000 0.914 152 S CB 0.851 64.011 63.200 -0.067 0.000 1.096 152 S HN 0.009 nan 8.310 nan 0.000 0.471 153 L N 3.171 124.369 121.223 -0.042 0.000 2.599 153 L HA 0.275 4.615 4.340 -0.000 0.000 0.230 153 L C 1.541 178.524 176.870 0.189 0.000 1.141 153 L CA 0.192 55.062 54.840 0.049 0.000 0.877 153 L CB -0.763 41.293 42.059 -0.005 0.000 1.009 153 L HN 0.795 nan 8.230 nan 0.000 0.447 154 G N 0.300 109.146 108.800 0.077 0.000 2.403 154 G HA2 0.319 4.279 3.960 -0.000 0.000 0.259 154 G HA3 0.319 4.279 3.960 -0.000 0.000 0.259 154 G C -0.194 174.664 174.900 -0.070 0.000 1.244 154 G CA -0.312 44.784 45.100 -0.006 0.000 0.849 154 G HN -0.094 nan 8.290 nan 0.000 0.532 155 V N 2.947 122.684 119.914 -0.295 0.000 2.381 155 V HA 0.431 4.551 4.120 -0.000 0.000 0.257 155 V C 0.462 176.445 176.094 -0.185 0.000 1.057 155 V CA 0.500 62.522 62.300 -0.463 0.000 1.013 155 V CB -0.703 30.761 31.823 -0.598 0.000 1.069 155 V HN 1.078 nan 8.190 nan 0.000 0.484 156 S N 3.061 118.713 115.700 -0.081 0.000 2.655 156 S HA 0.388 4.858 4.470 -0.000 0.000 0.266 156 S C -0.843 173.756 174.600 -0.000 0.000 1.149 156 S CA -0.974 57.202 58.200 -0.041 0.000 0.818 156 S CB 1.471 64.652 63.200 -0.033 0.000 1.130 156 S HN 0.549 nan 8.310 nan 0.000 0.476 157 Q N 1.396 121.197 119.800 0.002 0.000 2.255 157 Q HA 0.298 4.638 4.340 -0.000 0.000 0.280 157 Q C -2.323 173.709 176.000 0.054 0.000 1.068 157 Q CA -1.137 54.678 55.803 0.019 0.000 0.911 157 Q CB -0.076 28.672 28.738 0.017 0.000 1.157 157 Q HN 0.383 nan 8.270 nan 0.000 0.380 158 P HA 0.040 nan 4.420 nan 0.000 0.272 158 P C -0.675 176.765 177.300 0.233 0.000 1.223 158 P CA 0.065 63.235 63.100 0.117 0.000 0.784 158 P CB 0.652 32.418 31.700 0.110 0.000 0.923 159 R N 0.989 121.594 120.500 0.176 0.000 2.472 159 R HA 0.239 4.579 4.340 -0.000 0.000 0.279 159 R C 0.600 176.878 176.300 -0.038 0.000 0.953 159 R CA -0.076 56.091 56.100 0.111 0.000 1.088 159 R CB 0.599 30.875 30.300 -0.039 0.000 1.197 159 R HN 0.409 nan 8.270 nan 0.000 0.536 160 R N 0.417 121.024 120.500 0.177 0.000 2.626 160 R HA 0.623 4.963 4.340 -0.000 0.000 0.274 160 R C -2.023 174.436 176.300 0.266 0.000 1.031 160 R CA -0.376 55.801 56.100 0.129 0.000 0.898 160 R CB 2.047 32.345 30.300 -0.004 0.000 1.222 160 R HN 0.080 nan 8.270 nan 0.000 0.455 161 A N 3.531 126.518 122.820 0.279 0.000 2.602 161 A HA 0.671 4.991 4.320 -0.000 0.000 0.290 161 A C -2.113 175.560 177.584 0.148 0.000 1.114 161 A CA -0.736 51.398 52.037 0.162 0.000 0.683 161 A CB 2.153 21.175 19.000 0.037 0.000 1.281 161 A HN 0.494 nan 8.150 nan 0.000 0.416 162 L N 1.257 122.575 121.223 0.159 0.000 2.438 162 L HA 0.629 4.969 4.340 -0.000 0.000 0.270 162 L C -1.825 175.189 176.870 0.239 0.000 0.972 162 L CA -0.465 54.498 54.840 0.205 0.000 0.831 162 L CB 1.488 43.654 42.059 0.179 0.000 1.273 162 L HN 0.841 nan 8.230 nan 0.000 0.405 163 L N 6.135 127.498 121.223 0.233 0.000 2.325 163 L HA 0.634 4.974 4.340 -0.000 0.000 0.281 163 L C -1.312 175.604 176.870 0.077 0.000 1.004 163 L CA -0.507 54.372 54.840 0.066 0.000 0.823 163 L CB 1.479 43.492 42.059 -0.077 0.000 1.236 163 L HN 0.593 nan 8.230 nan 0.000 0.415 164 F N 3.555 123.452 119.950 -0.088 0.000 2.643 164 F HA 0.874 5.401 4.527 0.000 0.000 0.314 164 F C -1.614 174.136 175.800 -0.084 0.000 1.096 164 F CA -1.089 56.851 58.000 -0.100 0.000 0.953 164 F CB 1.517 40.453 39.000 -0.105 0.000 1.345 164 F HN 0.020 nan 8.300 nan 0.000 0.468 165 V N 3.000 122.978 119.914 0.107 0.000 2.686 165 V HA 0.617 4.737 4.120 -0.000 0.000 0.306 165 V C -0.307 175.875 176.094 0.146 0.000 1.065 165 V CA -0.729 61.588 62.300 0.029 0.000 0.894 165 V CB 1.662 33.470 31.823 -0.025 0.000 1.004 165 V HN 0.918 nan 8.190 nan 0.000 0.424 166 I N 2.376 123.047 120.570 0.169 0.000 2.846 166 I HA 0.814 4.984 4.170 -0.000 0.000 0.307 166 I C -1.257 174.982 176.117 0.204 0.000 1.053 166 I CA -1.048 60.409 61.300 0.261 0.000 1.050 166 I CB 2.318 40.553 38.000 0.393 0.000 1.239 166 I HN 0.399 nan 8.210 nan 0.000 0.439 167 L N 3.483 124.821 121.223 0.193 0.000 2.362 167 L HA 0.684 5.024 4.340 -0.000 0.000 0.271 167 L C -1.159 175.721 176.870 0.016 0.000 1.002 167 L CA -0.553 54.338 54.840 0.084 0.000 0.818 167 L CB 2.097 44.166 42.059 0.016 0.000 1.298 167 L HN 0.680 nan 8.230 nan 0.000 0.420 168 C N 2.268 121.568 119.300 0.001 0.000 2.431 168 C HA 0.527 4.987 4.460 -0.000 0.000 0.321 168 C C -2.547 172.421 174.990 -0.037 0.000 1.202 168 C CA -1.432 57.494 59.018 -0.153 0.000 1.398 168 C CB 2.173 29.744 27.740 -0.281 0.000 2.047 168 C HN 0.437 nan 8.230 nan 0.000 0.465 169 P HA 0.410 nan 4.420 nan 0.000 0.280 169 P C -0.905 176.416 177.300 0.034 0.000 1.244 169 P CA -0.053 63.088 63.100 0.068 0.000 0.784 169 P CB 0.782 32.579 31.700 0.160 0.000 0.913 170 V N 2.714 122.675 119.914 0.078 0.000 2.715 170 V HA 0.510 4.630 4.120 -0.000 0.000 0.310 170 V C 1.367 177.515 176.094 0.091 0.000 1.054 170 V CA -0.176 62.187 62.300 0.105 0.000 0.928 170 V CB 1.469 33.413 31.823 0.201 0.000 1.007 170 V HN 0.705 nan 8.190 nan 0.000 0.437 171 G N 1.904 110.751 108.800 0.079 0.000 2.679 171 G HA2 0.413 4.373 3.960 -0.000 0.000 0.214 171 G HA3 0.413 4.373 3.960 -0.000 0.000 0.214 171 G C 0.311 175.259 174.900 0.080 0.000 1.315 171 G CA 0.769 45.906 45.100 0.062 0.000 0.836 171 G HN 1.732 nan 8.290 nan 0.000 0.580 172 A N -3.232 119.632 122.820 0.073 0.000 1.985 172 A HA 0.379 4.699 4.320 -0.000 0.000 0.278 172 A C -0.015 177.594 177.584 0.041 0.000 0.983 172 A CA -0.350 51.741 52.037 0.090 0.000 0.910 172 A CB -0.743 18.316 19.000 0.099 0.000 0.978 172 A HN 0.313 nan 8.150 nan 0.000 0.336 173 Y N 1.507 121.671 120.300 -0.227 0.000 2.173 173 Y HA -0.149 4.401 4.550 -0.000 0.000 0.282 173 Y C 0.748 176.403 175.900 -0.409 0.000 1.192 173 Y CA 2.671 60.514 58.100 -0.428 0.000 1.176 173 Y CB -0.130 37.884 38.460 -0.743 0.000 0.969 173 Y HN 0.609 nan 8.280 nan 0.000 0.519 174 F N 0.352 120.387 119.950 0.141 0.000 2.332 174 F HA 0.246 4.773 4.527 -0.000 0.000 0.368 174 F C -1.278 174.546 175.800 0.039 0.000 1.110 174 F CA -2.518 55.526 58.000 0.073 0.000 1.087 174 F CB 1.075 40.122 39.000 0.078 0.000 1.235 174 F HN -0.152 nan 8.300 nan 0.000 0.470 175 P HA -0.244 nan 4.420 nan 0.000 0.228 175 P C 0.649 178.002 177.300 0.088 0.000 1.153 175 P CA 1.757 64.917 63.100 0.100 0.000 0.897 175 P CB 0.174 31.922 31.700 0.080 0.000 0.782 176 G N -3.683 105.180 108.800 0.105 0.000 4.485 176 G HA2 0.419 4.379 3.960 -0.000 0.000 0.238 176 G HA3 0.419 4.379 3.960 -0.000 0.000 0.238 176 G C 0.478 175.422 174.900 0.074 0.000 1.216 176 G CA 0.156 45.298 45.100 0.071 0.000 0.611 176 G HN 0.336 nan 8.290 nan 0.000 0.422 177 G N 0.529 109.404 108.800 0.126 0.000 2.203 177 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.263 177 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.263 177 G C 1.592 176.514 174.900 0.038 0.000 1.012 177 G CA 1.147 46.314 45.100 0.111 0.000 0.749 177 G HN 1.028 nan 8.290 nan 0.000 0.512 178 S N -0.461 115.275 115.700 0.060 0.000 2.404 178 S HA -0.114 4.356 4.470 -0.000 0.000 0.230 178 S C 1.593 175.957 174.600 -0.393 0.000 1.046 178 S CA 1.483 59.631 58.200 -0.087 0.000 1.135 178 S CB -0.365 62.850 63.200 0.025 0.000 1.056 178 S HN 1.581 nan 8.310 nan 0.000 0.426 179 V N 2.040 121.285 119.914 -1.115 0.000 6.177 179 V HA -0.161 3.959 4.120 -0.000 0.000 0.277 179 V C 0.256 175.783 176.094 -0.945 0.000 0.580 179 V CA 0.555 61.825 62.300 -1.716 0.000 0.697 179 V CB -2.627 28.794 31.823 -0.671 0.000 0.575 179 V HN 0.790 nan 8.190 nan 0.000 0.569 180 T N 1.941 115.974 114.554 -0.867 0.000 2.867 180 T HA 0.781 5.131 4.350 -0.000 0.000 0.282 180 T C -1.667 173.010 174.700 -0.039 0.000 1.000 180 T CA -1.721 60.230 62.100 -0.248 0.000 1.042 180 T CB 2.729 71.563 68.868 -0.056 0.000 0.973 180 T HN 0.462 nan 8.240 nan 0.000 0.465 181 P HA 0.426 nan 4.420 nan 0.000 0.276 181 P C -0.465 177.018 177.300 0.306 0.000 1.252 181 P CA -0.569 62.638 63.100 0.177 0.000 0.802 181 P CB 1.181 32.987 31.700 0.178 0.000 1.035 182 V N -1.769 118.349 119.914 0.340 0.000 2.919 182 V HA 0.761 4.881 4.120 -0.000 0.000 0.316 182 V C -0.063 176.110 176.094 0.131 0.000 1.077 182 V CA -0.931 61.528 62.300 0.266 0.000 0.977 182 V CB 1.355 33.291 31.823 0.189 0.000 1.039 182 V HN 0.721 nan 8.190 nan 0.000 0.441 183 S N 3.275 118.998 115.700 0.038 0.000 2.565 183 S HA 0.868 5.338 4.470 -0.000 0.000 0.290 183 S C -0.686 173.878 174.600 -0.060 0.000 1.150 183 S CA -0.801 57.307 58.200 -0.152 0.000 1.058 183 S CB 1.266 64.389 63.200 -0.129 0.000 1.032 183 S HN 0.830 nan 8.310 nan 0.000 0.510 184 L N 1.729 122.904 121.223 -0.081 0.000 2.370 184 L HA 0.604 4.944 4.340 -0.000 0.000 0.266 184 L C -1.065 175.774 176.870 -0.051 0.000 1.002 184 L CA -1.157 53.646 54.840 -0.062 0.000 0.818 184 L CB 1.806 43.825 42.059 -0.066 0.000 1.325 184 L HN 0.599 nan 8.230 nan 0.000 0.418 185 L N 2.464 123.652 121.223 -0.058 0.000 2.282 185 L HA 0.737 5.077 4.340 -0.000 0.000 0.288 185 L C -0.211 176.649 176.870 -0.017 0.000 1.033 185 L CA -0.123 54.709 54.840 -0.014 0.000 0.807 185 L CB 1.268 43.329 42.059 0.002 0.000 1.209 185 L HN 0.675 nan 8.230 nan 0.000 0.423 186 A N 4.277 127.119 122.820 0.037 0.000 2.536 186 A HA 0.523 4.843 4.320 -0.000 0.000 0.329 186 A C -1.052 176.585 177.584 0.089 0.000 1.321 186 A CA -0.533 51.531 52.037 0.045 0.000 0.804 186 A CB -0.046 18.971 19.000 0.029 0.000 1.126 186 A HN 0.652 nan 8.150 nan 0.000 0.480 187 D N 3.666 124.060 120.400 -0.010 0.000 2.481 187 D HA 0.411 5.051 4.640 -0.000 0.000 0.246 187 D C -2.131 173.957 176.300 -0.353 0.000 1.109 187 D CA -1.830 52.036 54.000 -0.225 0.000 0.845 187 D CB 2.285 42.830 40.800 -0.425 0.000 1.160 187 D HN 0.137 nan 8.370 nan 0.000 0.534 188 P HA -0.038 nan 4.420 nan 0.000 0.226 188 P C 0.854 178.021 177.300 -0.221 0.000 1.146 188 P CA 0.608 63.523 63.100 -0.308 0.000 0.773 188 P CB 0.270 31.668 31.700 -0.503 0.000 0.772 189 A N -1.775 120.793 122.820 -0.420 0.000 2.066 189 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 189 A C 1.783 179.275 177.584 -0.154 0.000 1.157 189 A CA 0.802 52.633 52.037 -0.343 0.000 0.670 189 A CB -1.425 17.289 19.000 -0.478 0.000 0.804 189 A HN 0.148 nan 8.150 nan 0.000 0.453 190 F N -0.548 119.480 119.950 0.130 0.000 2.074 190 F HA 0.207 4.734 4.527 -0.000 0.000 0.290 190 F C 0.574 176.594 175.800 0.367 0.000 1.118 190 F CA 0.480 58.624 58.000 0.240 0.000 1.199 190 F CB -0.277 38.835 39.000 0.186 0.000 1.012 190 F HN -0.069 nan 8.300 nan 0.000 0.472 191 I N 1.181 122.122 120.570 0.618 0.000 8.182 191 I HA -0.308 3.862 4.170 -0.000 0.000 0.126 191 I C 1.092 177.397 176.117 0.313 0.000 1.835 191 I CA 0.161 61.760 61.300 0.498 0.000 2.072 191 I CB -0.418 37.855 38.000 0.455 0.000 3.753 191 I HN 0.351 nan 8.210 nan 0.000 0.180 192 R N 3.954 124.480 120.500 0.044 0.000 2.127 192 R HA 0.386 4.726 4.340 -0.000 0.000 0.217 192 R C 0.693 176.841 176.300 -0.253 0.000 1.074 192 R CA 1.473 57.253 56.100 -0.532 0.000 0.991 192 R CB 0.378 29.883 30.300 -1.325 0.000 0.895 192 R HN 0.793 nan 8.270 nan 0.000 0.450 193 A N -0.898 121.879 122.820 -0.071 0.000 2.610 193 A HA 0.411 4.731 4.320 -0.000 0.000 0.291 193 A C -2.166 175.478 177.584 0.101 0.000 1.086 193 A CA -0.748 51.277 52.037 -0.020 0.000 0.677 193 A CB 0.850 19.750 19.000 -0.167 0.000 1.278 193 A HN 0.275 nan 8.150 nan 0.000 0.414 194 W N 1.457 122.709 121.300 -0.079 0.000 2.844 194 W HA 0.543 5.203 4.660 0.000 0.000 0.340 194 W C -1.020 175.455 176.519 -0.074 0.000 1.093 194 W CA -0.511 56.843 57.345 0.015 0.000 1.212 194 W CB 1.936 31.475 29.460 0.132 0.000 1.422 194 W HN 0.602 nan 8.180 nan 0.000 0.515 195 V N 4.319 124.134 119.914 -0.165 0.000 2.540 195 V HA 0.232 4.352 4.120 -0.000 0.000 0.297 195 V C 1.094 177.295 176.094 0.177 0.000 1.024 195 V CA 2.483 64.748 62.300 -0.059 0.000 1.105 195 V CB 0.342 32.116 31.823 -0.082 0.000 0.938 195 V HN 0.988 nan 8.190 nan 0.000 0.482 196 G N 3.568 112.438 108.800 0.117 0.000 2.194 196 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.236 196 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.236 196 G C 0.533 175.521 174.900 0.145 0.000 0.987 196 G CA 0.176 45.361 45.100 0.143 0.000 0.635 196 G HN 1.247 nan 8.290 nan 0.000 0.520 197 G N -0.740 108.155 108.800 0.158 0.000 2.714 197 G HA2 0.616 4.576 3.960 -0.000 0.000 0.197 197 G HA3 0.616 4.576 3.960 -0.000 0.000 0.197 197 G C 1.014 175.992 174.900 0.130 0.000 1.449 197 G CA 1.361 46.542 45.100 0.135 0.000 1.065 197 G HN 1.366 nan 8.290 nan 0.000 0.575 198 V N -2.618 117.369 119.914 0.122 0.000 3.078 198 V HA 0.466 4.586 4.120 -0.000 0.000 0.344 198 V C 1.701 177.884 176.094 0.149 0.000 1.409 198 V CA 0.488 62.930 62.300 0.236 0.000 1.146 198 V CB 0.233 32.160 31.823 0.173 0.000 1.126 198 V HN 0.770 nan 8.190 nan 0.000 0.513 199 G N 2.618 111.418 108.800 0.001 0.000 2.470 199 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 199 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 199 G C 1.008 175.822 174.900 -0.143 0.000 1.121 199 G CA 1.139 46.175 45.100 -0.107 0.000 0.766 199 G HN 0.883 nan 8.290 nan 0.000 0.553 200 N N -1.727 116.849 118.700 -0.207 0.000 2.370 200 N HA 0.173 4.913 4.740 -0.000 0.000 0.198 200 N C -0.567 174.628 175.510 -0.524 0.000 1.156 200 N CA -0.297 52.528 53.050 -0.375 0.000 0.839 200 N CB -0.006 38.202 38.487 -0.466 0.000 0.989 200 N HN 0.313 nan 8.380 nan 0.000 0.468 201 Y N 0.313 120.571 120.300 -0.071 0.000 2.485 201 Y HA 0.344 4.894 4.550 -0.000 0.000 0.345 201 Y C 0.080 175.942 175.900 -0.064 0.000 0.998 201 Y CA -1.284 56.776 58.100 -0.066 0.000 1.059 201 Y CB 1.656 40.088 38.460 -0.047 0.000 1.234 201 Y HN -0.192 nan 8.280 nan 0.000 0.461 202 K N 3.519 123.934 120.400 0.024 0.000 2.222 202 K HA 0.381 4.701 4.320 -0.000 0.000 0.243 202 K C -1.395 175.141 176.600 -0.107 0.000 1.160 202 K CA 0.014 56.207 56.287 -0.156 0.000 1.090 202 K CB -0.407 31.775 32.500 -0.529 0.000 1.694 202 K HN 0.542 nan 8.250 nan 0.000 0.361 203 L N 0.629 121.955 121.223 0.173 0.000 2.317 203 L HA 0.309 4.649 4.340 -0.000 0.000 0.281 203 L C 1.712 178.860 176.870 0.464 0.000 1.024 203 L CA -0.728 54.255 54.840 0.239 0.000 0.810 203 L CB 1.610 43.759 42.059 0.149 0.000 1.240 203 L HN 0.524 nan 8.230 nan 0.000 0.427 204 G N 2.069 111.152 108.800 0.471 0.000 2.503 204 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.221 204 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.221 204 G C 1.392 176.515 174.900 0.372 0.000 1.131 204 G CA 1.014 46.393 45.100 0.465 0.000 0.756 204 G HN 0.929 nan 8.290 nan 0.000 0.572 205 G N 0.500 109.434 108.800 0.224 0.000 2.499 205 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.221 205 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.221 205 G C 1.599 176.529 174.900 0.050 0.000 1.109 205 G CA 1.087 46.261 45.100 0.124 0.000 0.749 205 G HN 0.609 nan 8.290 nan 0.000 0.568 206 N N -1.143 117.556 118.700 -0.003 0.000 2.457 206 N HA 0.002 4.742 4.740 -0.000 0.000 0.180 206 N C 1.464 176.633 175.510 -0.568 0.000 1.050 206 N CA 0.592 53.446 53.050 -0.327 0.000 0.906 206 N CB -0.049 38.130 38.487 -0.512 0.000 0.968 206 N HN 0.474 nan 8.380 nan 0.000 0.445 207 Y N -0.067 120.274 120.300 0.068 0.000 2.441 207 Y HA 0.257 4.806 4.550 -0.000 0.000 0.288 207 Y C 2.558 178.492 175.900 0.057 0.000 1.118 207 Y CA 0.251 58.393 58.100 0.069 0.000 1.215 207 Y CB -0.728 37.800 38.460 0.114 0.000 1.118 207 Y HN -0.054 nan 8.280 nan 0.000 0.547 208 G N 1.699 110.599 108.800 0.167 0.000 2.529 208 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 208 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 208 G C -0.633 174.313 174.900 0.077 0.000 1.177 208 G CA 1.169 46.333 45.100 0.108 0.000 0.773 208 G HN 0.299 nan 8.290 nan 0.000 0.573 209 P HA -0.008 nan 4.420 nan 0.000 0.228 209 P C 1.949 179.300 177.300 0.085 0.000 1.151 209 P CA 1.730 64.861 63.100 0.051 0.000 0.770 209 P CB -0.119 31.597 31.700 0.026 0.000 0.786 210 T N -4.924 109.692 114.554 0.103 0.000 3.081 210 T HA 0.015 4.365 4.350 -0.000 0.000 0.255 210 T C 1.662 176.457 174.700 0.158 0.000 1.113 210 T CA 0.254 62.485 62.100 0.218 0.000 1.082 210 T CB -1.109 67.934 68.868 0.292 0.000 0.939 210 T HN -0.146 nan 8.240 nan 0.000 0.506 211 V N 1.686 121.666 119.914 0.110 0.000 2.255 211 V HA -0.123 3.997 4.120 -0.000 0.000 0.247 211 V C 2.562 178.674 176.094 0.031 0.000 1.051 211 V CA 1.854 64.199 62.300 0.075 0.000 1.018 211 V CB -0.974 30.887 31.823 0.063 0.000 0.641 211 V HN 0.452 nan 8.190 nan 0.000 0.445 212 L N -0.021 121.214 121.223 0.020 0.000 2.079 212 L HA -0.121 4.218 4.340 -0.000 0.000 0.210 212 L C 2.312 179.124 176.870 -0.095 0.000 1.081 212 L CA 1.804 56.634 54.840 -0.017 0.000 0.752 212 L CB -0.446 41.614 42.059 0.003 0.000 0.896 212 L HN 0.143 nan 8.230 nan 0.000 0.433 213 V N -0.578 119.252 119.914 -0.139 0.000 2.358 213 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 213 V C 2.556 178.448 176.094 -0.336 0.000 1.047 213 V CA 1.700 63.750 62.300 -0.417 0.000 1.035 213 V CB -0.732 30.835 31.823 -0.427 0.000 0.658 213 V HN 0.575 nan 8.190 nan 0.000 0.452 214 Q N 0.555 120.271 119.800 -0.141 0.000 2.084 214 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 214 Q C 2.170 178.121 176.000 -0.081 0.000 0.978 214 Q CA 1.898 57.646 55.803 -0.092 0.000 0.844 214 Q CB -0.462 28.283 28.738 0.011 0.000 0.898 214 Q HN 0.688 nan 8.270 nan 0.000 0.426 215 Q N -0.408 119.355 119.800 -0.062 0.000 2.124 215 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 215 Q C 1.861 177.830 176.000 -0.051 0.000 0.977 215 Q CA 1.487 57.266 55.803 -0.039 0.000 0.850 215 Q CB -0.088 28.637 28.738 -0.022 0.000 0.901 215 Q HN 0.414 nan 8.270 nan 0.000 0.429 216 E N 0.616 120.760 120.200 -0.094 0.000 2.150 216 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 216 E C 1.664 178.234 176.600 -0.051 0.000 0.985 216 E CA 1.173 57.532 56.400 -0.069 0.000 0.814 216 E CB -0.110 29.521 29.700 -0.115 0.000 0.752 216 E HN 0.338 nan 8.360 nan 0.000 0.466 217 A N 0.376 123.138 122.820 -0.097 0.000 1.898 217 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 217 A C 2.237 179.806 177.584 -0.025 0.000 1.181 217 A CA 1.211 53.211 52.037 -0.063 0.000 0.620 217 A CB -0.636 18.302 19.000 -0.104 0.000 0.819 217 A HN 0.329 nan 8.150 nan 0.000 0.442 218 L N -0.904 120.305 121.223 -0.023 0.000 2.017 218 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 218 L C 2.551 179.424 176.870 0.005 0.000 1.073 218 L CA 1.826 56.664 54.840 -0.003 0.000 0.745 218 L CB -0.453 41.605 42.059 -0.001 0.000 0.894 218 L HN 0.295 nan 8.230 nan 0.000 0.432 219 K N -0.312 120.090 120.400 0.003 0.000 2.211 219 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 219 K C 1.969 178.580 176.600 0.018 0.000 1.047 219 K CA 1.018 57.312 56.287 0.012 0.000 0.935 219 K CB 0.004 32.511 32.500 0.013 0.000 0.728 219 K HN 0.188 nan 8.250 nan 0.000 0.452 220 R N -0.713 119.799 120.500 0.020 0.000 2.310 220 R HA 0.059 4.399 4.340 -0.000 0.000 0.202 220 R C 0.681 176.996 176.300 0.024 0.000 0.933 220 R CA 0.747 56.863 56.100 0.027 0.000 1.054 220 R CB 0.673 30.996 30.300 0.039 0.000 0.985 220 R HN 0.407 nan 8.270 nan 0.000 0.489 221 G N 0.667 109.480 108.800 0.022 0.000 2.141 221 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.231 221 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.231 221 G C 0.153 175.069 174.900 0.027 0.000 0.984 221 G CA -0.153 44.963 45.100 0.027 0.000 0.660 221 G HN 0.328 nan 8.290 nan 0.000 0.525 222 C N -0.311 118.998 119.300 0.016 0.000 2.401 222 C HA 0.667 5.127 4.460 -0.000 0.000 0.356 222 C C 1.612 176.609 174.990 0.012 0.000 1.192 222 C CA -0.280 58.743 59.018 0.009 0.000 2.028 222 C CB 1.673 29.406 27.740 -0.011 0.000 2.344 222 C HN 0.541 nan 8.230 nan 0.000 0.525 223 E N -0.407 119.806 120.200 0.022 0.000 2.251 223 E HA 0.040 4.390 4.350 -0.000 0.000 0.194 223 E C 0.185 176.798 176.600 0.021 0.000 0.964 223 E CA 0.654 57.075 56.400 0.035 0.000 0.868 223 E CB 0.324 30.067 29.700 0.071 0.000 0.828 223 E HN 0.637 nan 8.360 nan 0.000 0.481 224 Q N 0.067 119.867 119.800 -0.001 0.000 2.615 224 Q HA 0.452 4.792 4.340 -0.000 0.000 0.298 224 Q C -1.164 174.772 176.000 -0.106 0.000 1.023 224 Q CA -0.766 55.023 55.803 -0.022 0.000 0.768 224 Q CB 2.819 31.573 28.738 0.025 0.000 1.500 224 Q HN -0.104 nan 8.270 nan 0.000 0.441 225 V N 1.819 121.612 119.914 -0.202 0.000 2.427 225 V HA 0.265 4.385 4.120 -0.000 0.000 0.286 225 V C -0.687 175.122 176.094 -0.475 0.000 1.034 225 V CA -0.633 61.396 62.300 -0.451 0.000 0.893 225 V CB 1.307 32.589 31.823 -0.903 0.000 0.982 225 V HN 0.499 nan 8.190 nan 0.000 0.452 226 L N 6.139 127.154 121.223 -0.348 0.000 2.259 226 L HA 0.513 4.853 4.340 -0.000 0.000 0.288 226 L C -0.826 175.921 176.870 -0.205 0.000 1.051 226 L CA -0.360 54.364 54.840 -0.193 0.000 0.824 226 L CB 0.475 42.473 42.059 -0.101 0.000 1.206 226 L HN 0.628 nan 8.230 nan 0.000 0.429 227 W N 6.568 127.897 121.300 0.048 0.000 2.419 227 W HA 0.427 5.087 4.660 -0.000 0.000 0.312 227 W C -0.353 176.199 176.519 0.055 0.000 1.323 227 W CA -0.290 57.098 57.345 0.072 0.000 1.293 227 W CB 0.287 29.778 29.460 0.053 0.000 1.324 227 W HN 0.351 nan 8.180 nan 0.000 0.512 228 L N 4.001 125.386 121.223 0.270 0.000 2.334 228 L HA 0.563 4.903 4.340 -0.000 0.000 0.275 228 L C -0.691 176.337 176.870 0.263 0.000 1.036 228 L CA -1.358 53.586 54.840 0.172 0.000 0.807 228 L CB 1.062 43.130 42.059 0.015 0.000 1.231 228 L HN 0.350 nan 8.230 nan 0.000 0.438 229 Y N 0.846 121.181 120.300 0.057 0.000 2.534 229 Y HA 0.652 5.202 4.550 -0.000 0.000 0.345 229 Y C 0.182 176.075 175.900 -0.012 0.000 1.031 229 Y CA 0.059 58.161 58.100 0.003 0.000 1.022 229 Y CB 2.092 40.513 38.460 -0.065 0.000 1.292 229 Y HN 0.767 nan 8.280 nan 0.000 0.459 230 G N 4.678 112.974 108.800 -0.840 0.000 2.795 230 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.664 230 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.664 230 G C -2.495 172.310 174.900 -0.159 0.000 1.381 230 G CA -0.515 44.235 45.100 -0.582 0.000 0.853 230 G HN 0.542 nan 8.290 nan 0.000 0.545 231 P HA 0.065 nan 4.420 nan 0.000 0.219 231 P C 1.259 178.465 177.300 -0.156 0.000 1.150 231 P CA 1.650 64.694 63.100 -0.094 0.000 0.814 231 P CB 0.028 31.674 31.700 -0.089 0.000 0.787 232 D N -2.050 118.292 120.400 -0.095 0.000 2.328 232 D HA -0.103 4.537 4.640 -0.000 0.000 0.226 232 D C -0.256 176.058 176.300 0.024 0.000 1.066 232 D CA -0.232 53.718 54.000 -0.082 0.000 0.861 232 D CB -1.652 39.130 40.800 -0.030 0.000 0.912 232 D HN 0.330 nan 8.370 nan 0.000 0.521 233 H N 0.546 119.618 119.070 0.002 0.000 2.592 233 H HA -0.170 4.386 4.556 0.000 0.000 0.323 233 H C 0.024 175.361 175.328 0.015 0.000 1.117 233 H CA 0.237 56.302 56.048 0.028 0.000 1.120 233 H CB -1.377 28.432 29.762 0.080 0.000 1.561 233 H HN 0.535 nan 8.280 nan 0.000 0.409 234 Q N 0.549 120.434 119.800 0.142 0.000 2.354 234 Q HA 0.386 4.726 4.340 -0.000 0.000 0.244 234 Q C -0.331 175.712 176.000 0.070 0.000 0.969 234 Q CA -0.740 55.115 55.803 0.087 0.000 0.885 234 Q CB 1.375 30.161 28.738 0.080 0.000 1.241 234 Q HN 0.192 nan 8.270 nan 0.000 0.461 235 L N 2.929 124.158 121.223 0.009 0.000 2.278 235 L HA 0.131 4.471 4.340 -0.000 0.000 0.287 235 L C 1.325 178.186 176.870 -0.016 0.000 1.072 235 L CA 0.415 55.247 54.840 -0.013 0.000 0.819 235 L CB 1.101 43.114 42.059 -0.076 0.000 1.176 235 L HN 1.023 nan 8.230 nan 0.000 0.435 236 T N -0.604 113.971 114.554 0.035 0.000 3.053 236 T HA 0.321 4.671 4.350 -0.000 0.000 0.236 236 T C 0.485 175.179 174.700 -0.009 0.000 0.996 236 T CA -0.006 62.090 62.100 -0.006 0.000 1.185 236 T CB 0.298 69.167 68.868 0.001 0.000 0.892 236 T HN 0.467 nan 8.240 nan 0.000 0.432 237 E N 0.156 120.419 120.200 0.104 0.000 2.445 237 E HA 0.542 4.892 4.350 -0.000 0.000 0.279 237 E C -1.737 175.017 176.600 0.257 0.000 1.018 237 E CA -1.133 55.346 56.400 0.132 0.000 0.816 237 E CB 2.932 32.697 29.700 0.109 0.000 1.356 237 E HN 0.292 nan 8.360 nan 0.000 0.462 238 V N -0.877 119.155 119.914 0.197 0.000 2.350 238 V HA 0.749 4.869 4.120 -0.000 0.000 0.285 238 V C 0.600 176.828 176.094 0.222 0.000 1.014 238 V CA 0.419 62.815 62.300 0.160 0.000 0.831 238 V CB 0.175 32.043 31.823 0.076 0.000 1.000 238 V HN 1.011 nan 8.190 nan 0.000 0.433 239 G N 5.207 114.178 108.800 0.286 0.000 2.634 239 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.318 239 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.318 239 G C 0.730 175.875 174.900 0.410 0.000 1.207 239 G CA 1.205 46.515 45.100 0.349 0.000 0.987 239 G HN 2.255 nan 8.290 nan 0.000 0.547 240 T N -1.928 112.782 114.554 0.261 0.000 3.374 240 T HA 0.731 5.081 4.350 -0.000 0.000 0.267 240 T C 0.154 174.941 174.700 0.145 0.000 0.996 240 T CA 0.277 62.520 62.100 0.238 0.000 0.977 240 T CB -0.167 68.863 68.868 0.270 0.000 1.149 240 T HN 0.606 nan 8.240 nan 0.000 0.517 241 M N 1.221 120.899 119.600 0.130 0.000 2.550 241 M HA 0.479 4.959 4.480 -0.000 0.000 0.292 241 M C -0.587 175.760 176.300 0.078 0.000 1.221 241 M CA -0.943 54.408 55.300 0.086 0.000 0.873 241 M CB 2.033 34.678 32.600 0.074 0.000 1.727 241 M HN -0.020 nan 8.290 nan 0.000 0.459 242 N N 1.285 120.023 118.700 0.064 0.000 2.424 242 N HA 0.496 5.236 4.740 -0.000 0.000 0.257 242 N C -1.278 174.239 175.510 0.013 0.000 1.250 242 N CA -0.107 52.946 53.050 0.006 0.000 0.946 242 N CB 1.496 39.977 38.487 -0.009 0.000 1.175 242 N HN 0.606 nan 8.380 nan 0.000 0.477 243 I N 0.812 121.301 120.570 -0.136 0.000 2.530 243 I HA 0.437 4.607 4.170 -0.000 0.000 0.297 243 I C -1.333 174.533 176.117 -0.419 0.000 1.011 243 I CA -0.657 60.542 61.300 -0.168 0.000 1.107 243 I CB 0.815 38.726 38.000 -0.148 0.000 1.285 243 I HN 0.252 nan 8.210 nan 0.000 0.436 244 F N 5.449 125.053 119.950 -0.576 0.000 2.563 244 F HA 0.629 5.156 4.527 -0.000 0.000 0.316 244 F C -0.542 174.839 175.800 -0.700 0.000 1.076 244 F CA -0.656 56.918 58.000 -0.709 0.000 0.921 244 F CB 2.176 40.493 39.000 -1.137 0.000 1.209 244 F HN -0.023 nan 8.300 nan 0.000 0.462 245 V N 2.660 122.358 119.914 -0.360 0.000 2.577 245 V HA 0.302 4.422 4.120 -0.000 0.000 0.303 245 V C -1.643 174.286 176.094 -0.275 0.000 1.042 245 V CA -0.945 61.088 62.300 -0.444 0.000 0.872 245 V CB 1.909 33.188 31.823 -0.906 0.000 0.998 245 V HN 0.560 nan 8.190 nan 0.000 0.423 246 Y N 7.039 127.236 120.300 -0.171 0.000 2.334 246 Y HA 0.788 5.338 4.550 -0.000 0.000 0.336 246 Y C -0.916 175.048 175.900 0.107 0.000 0.960 246 Y CA -1.342 56.752 58.100 -0.008 0.000 1.164 246 Y CB 1.212 39.741 38.460 0.115 0.000 1.155 246 Y HN 0.780 nan 8.280 nan 0.000 0.478 247 W N 2.332 123.526 121.300 -0.177 0.000 2.826 247 W HA 0.560 5.220 4.660 0.000 0.000 0.410 247 W C -1.939 174.470 176.519 -0.182 0.000 1.128 247 W CA -1.599 55.630 57.345 -0.193 0.000 1.176 247 W CB 0.289 29.717 29.460 -0.054 0.000 1.475 247 W HN 0.273 nan 8.180 nan 0.000 0.588 248 T N 2.507 117.066 114.554 0.009 0.000 2.762 248 T HA 0.195 4.545 4.350 -0.000 0.000 0.303 248 T C -0.219 174.279 174.700 -0.336 0.000 0.977 248 T CA 0.124 62.152 62.100 -0.119 0.000 0.961 248 T CB -0.533 68.278 68.868 -0.096 0.000 0.944 248 T HN 0.454 nan 8.240 nan 0.000 0.481 249 H N 2.324 121.099 119.070 -0.491 0.000 2.801 249 H HA 0.082 4.638 4.556 -0.000 0.000 0.377 249 H C 1.410 176.480 175.328 -0.430 0.000 1.304 249 H CA -0.071 55.576 56.048 -0.669 0.000 1.451 249 H CB 0.751 30.329 29.762 -0.308 0.000 1.474 249 H HN 0.661 nan 8.280 nan 0.000 0.620 250 E N 0.000 119.829 120.200 -0.619 0.000 2.333 250 E HA -0.140 4.210 4.350 -0.000 0.000 0.198 250 E C 0.715 177.078 176.600 -0.396 0.000 1.007 250 E CA 1.095 57.202 56.400 -0.489 0.000 0.845 250 E CB 0.124 29.543 29.700 -0.468 0.000 0.766 250 E HN 0.617 nan 8.360 nan 0.000 0.507 251 D N -0.535 119.596 120.400 -0.447 0.000 2.328 251 D HA 0.011 4.651 4.640 -0.000 0.000 0.221 251 D C 1.311 177.530 176.300 -0.136 0.000 1.072 251 D CA 0.676 54.531 54.000 -0.241 0.000 0.850 251 D CB 0.403 41.082 40.800 -0.201 0.000 0.922 251 D HN 0.204 nan 8.370 nan 0.000 0.516 252 G N -0.264 108.455 108.800 -0.136 0.000 2.199 252 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.254 252 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.254 252 G C 0.193 175.072 174.900 -0.035 0.000 0.982 252 G CA 0.257 45.310 45.100 -0.078 0.000 0.632 252 G HN 0.374 nan 8.290 nan 0.000 0.529 253 V N 1.805 121.715 119.914 -0.007 0.000 2.509 253 V HA 0.623 4.743 4.120 -0.000 0.000 0.284 253 V C 0.797 176.935 176.094 0.074 0.000 1.047 253 V CA -0.521 61.810 62.300 0.052 0.000 0.952 253 V CB 1.639 33.517 31.823 0.092 0.000 0.988 253 V HN 0.512 nan 8.190 nan 0.000 0.469 254 L N 5.866 127.137 121.223 0.080 0.000 2.410 254 L HA 0.452 4.791 4.340 -0.000 0.000 0.273 254 L C 0.131 177.103 176.870 0.170 0.000 1.152 254 L CA 0.778 55.648 54.840 0.050 0.000 0.855 254 L CB 0.241 42.299 42.059 -0.002 0.000 1.129 254 L HN 0.929 nan 8.230 nan 0.000 0.463 255 E N 3.941 124.262 120.200 0.203 0.000 2.430 255 E HA 0.523 4.873 4.350 -0.000 0.000 0.279 255 E C -1.751 175.088 176.600 0.397 0.000 1.003 255 E CA -1.091 55.523 56.400 0.358 0.000 0.801 255 E CB 1.462 31.388 29.700 0.378 0.000 1.313 255 E HN 0.444 nan 8.360 nan 0.000 0.459 256 L N 2.024 123.522 121.223 0.460 0.000 2.318 256 L HA 0.564 4.904 4.340 -0.000 0.000 0.277 256 L C -1.516 175.542 176.870 0.314 0.000 1.008 256 L CA -0.737 54.367 54.840 0.441 0.000 0.846 256 L CB 1.406 43.820 42.059 0.591 0.000 1.220 256 L HN 0.543 nan 8.230 nan 0.000 0.423 257 V N 4.740 124.716 119.914 0.105 0.000 2.815 257 V HA 0.829 4.949 4.120 -0.000 0.000 0.314 257 V C -0.549 175.415 176.094 -0.218 0.000 1.064 257 V CA 0.074 62.360 62.300 -0.023 0.000 0.952 257 V CB 2.293 34.088 31.823 -0.048 0.000 1.020 257 V HN 0.920 nan 8.190 nan 0.000 0.439 258 T N 5.914 120.282 114.554 -0.311 0.000 2.923 258 T HA 0.607 4.957 4.350 -0.000 0.000 0.311 258 T C -3.048 171.439 174.700 -0.355 0.000 1.183 258 T CA -1.416 60.338 62.100 -0.576 0.000 1.020 258 T CB 2.217 70.376 68.868 -1.182 0.000 1.165 258 T HN 0.569 nan 8.240 nan 0.000 0.482 259 P HA 0.271 nan 4.420 nan 0.000 0.269 259 P C -2.598 174.591 177.300 -0.186 0.000 1.209 259 P CA -0.926 62.049 63.100 -0.207 0.000 0.776 259 P CB -0.188 31.403 31.700 -0.183 0.000 0.876 260 P HA 0.076 nan 4.420 nan 0.000 0.271 260 P C -0.344 176.883 177.300 -0.122 0.000 1.218 260 P CA -0.151 62.884 63.100 -0.107 0.000 0.780 260 P CB 0.270 31.925 31.700 -0.074 0.000 0.901 261 L N 3.322 124.477 121.223 -0.114 0.000 2.436 261 L HA 0.083 4.423 4.340 -0.000 0.000 0.244 261 L C 1.033 177.830 176.870 -0.122 0.000 1.396 261 L CA 0.411 55.176 54.840 -0.126 0.000 1.217 261 L CB -2.481 39.508 42.059 -0.116 0.000 1.420 261 L HN 0.421 nan 8.230 nan 0.000 0.434 262 N N -0.563 118.059 118.700 -0.131 0.000 2.531 262 N HA 0.193 4.933 4.740 -0.000 0.000 0.301 262 N C 1.283 176.699 175.510 -0.156 0.000 1.310 262 N CA 0.017 52.994 53.050 -0.122 0.000 0.949 262 N CB -0.265 38.153 38.487 -0.115 0.000 1.111 262 N HN 0.093 nan 8.380 nan 0.000 0.565 263 G N -1.181 107.527 108.800 -0.153 0.000 2.509 263 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.218 263 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.218 263 G C 0.784 175.556 174.900 -0.215 0.000 1.124 263 G CA 0.412 45.414 45.100 -0.163 0.000 0.776 263 G HN 0.336 nan 8.290 nan 0.000 0.547 264 V N 1.404 121.145 119.914 -0.288 0.000 3.577 264 V HA 0.260 4.380 4.120 -0.000 0.000 0.294 264 V C 0.050 175.983 176.094 -0.269 0.000 1.317 264 V CA 0.144 62.238 62.300 -0.343 0.000 1.169 264 V CB -0.419 31.037 31.823 -0.613 0.000 1.011 264 V HN 0.149 nan 8.190 nan 0.000 0.426 265 I N 0.985 121.419 120.570 -0.226 0.000 2.509 265 I HA 0.364 4.534 4.170 -0.000 0.000 0.293 265 I C -0.377 175.630 176.117 -0.184 0.000 1.020 265 I CA -0.854 60.332 61.300 -0.191 0.000 1.088 265 I CB 1.930 39.823 38.000 -0.179 0.000 1.267 265 I HN -0.038 nan 8.210 nan 0.000 0.430 266 L N 8.320 129.452 121.223 -0.151 0.000 2.319 266 L HA 0.403 4.743 4.340 -0.000 0.000 0.280 266 L C -2.169 174.627 176.870 -0.123 0.000 1.099 266 L CA -1.498 53.260 54.840 -0.136 0.000 0.828 266 L CB 1.090 43.102 42.059 -0.078 0.000 1.150 266 L HN 0.248 nan 8.230 nan 0.000 0.442 267 P HA 0.108 nan 4.420 nan 0.000 0.256 267 P C 0.169 177.419 177.300 -0.084 0.000 1.688 267 P CA -0.152 62.879 63.100 -0.116 0.000 1.162 267 P CB 0.116 31.737 31.700 -0.131 0.000 1.870 268 G N 1.791 110.556 108.800 -0.057 0.000 2.432 268 G HA2 0.092 4.051 3.960 -0.000 0.000 0.239 268 G HA3 0.092 4.051 3.960 -0.000 0.000 0.239 268 G C 1.257 176.137 174.900 -0.033 0.000 1.291 268 G CA -0.475 44.608 45.100 -0.028 0.000 0.863 268 G HN 0.195 nan 8.290 nan 0.000 0.560 269 V N 2.685 122.580 119.914 -0.033 0.000 2.379 269 V HA -0.148 3.972 4.120 -0.000 0.000 0.245 269 V C 2.909 178.983 176.094 -0.034 0.000 1.044 269 V CA 1.372 63.634 62.300 -0.063 0.000 1.036 269 V CB -0.423 31.370 31.823 -0.050 0.000 0.664 269 V HN 0.544 nan 8.190 nan 0.000 0.453 270 V N 0.294 120.226 119.914 0.029 0.000 2.358 270 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 270 V C 2.569 178.649 176.094 -0.023 0.000 1.047 270 V CA 2.335 64.642 62.300 0.011 0.000 1.035 270 V CB -0.828 30.985 31.823 -0.016 0.000 0.658 270 V HN 0.526 nan 8.190 nan 0.000 0.452 271 R N 0.186 120.727 120.500 0.068 0.000 2.094 271 R HA -0.316 4.024 4.340 -0.000 0.000 0.239 271 R C 2.405 178.793 176.300 0.146 0.000 1.137 271 R CA 2.572 58.812 56.100 0.233 0.000 0.943 271 R CB -0.382 30.011 30.300 0.154 0.000 0.850 271 R HN 0.487 nan 8.270 nan 0.000 0.433 272 Q N 0.361 120.170 119.800 0.015 0.000 2.124 272 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 272 Q C 1.968 177.932 176.000 -0.060 0.000 0.977 272 Q CA 2.394 58.182 55.803 -0.025 0.000 0.850 272 Q CB -0.101 28.588 28.738 -0.082 0.000 0.901 272 Q HN 0.368 nan 8.270 nan 0.000 0.429 273 S N -0.036 115.566 115.700 -0.163 0.000 2.368 273 S HA -0.078 4.392 4.470 -0.000 0.000 0.225 273 S C 1.782 176.348 174.600 -0.056 0.000 1.030 273 S CA 1.157 59.218 58.200 -0.230 0.000 0.999 273 S CB -0.296 62.693 63.200 -0.351 0.000 0.844 273 S HN 0.380 nan 8.310 nan 0.000 0.459 274 L N 0.955 122.045 121.223 -0.222 0.000 2.046 274 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 274 L C 2.289 179.057 176.870 -0.170 0.000 1.077 274 L CA 1.075 55.603 54.840 -0.521 0.000 0.747 274 L CB -0.682 40.789 42.059 -0.980 0.000 0.896 274 L HN 0.294 nan 8.230 nan 0.000 0.432 275 L N -0.433 120.817 121.223 0.046 0.000 2.017 275 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 275 L C 2.348 179.251 176.870 0.055 0.000 1.073 275 L CA 1.227 56.147 54.840 0.132 0.000 0.745 275 L CB -0.698 41.450 42.059 0.150 0.000 0.894 275 L HN 0.268 nan 8.230 nan 0.000 0.432 276 D N -0.278 120.165 120.400 0.073 0.000 2.106 276 D HA -0.261 4.379 4.640 -0.000 0.000 0.191 276 D C 2.158 178.466 176.300 0.013 0.000 0.997 276 D CA 1.488 55.555 54.000 0.111 0.000 0.834 276 D CB -0.178 40.806 40.800 0.306 0.000 0.956 276 D HN 0.249 nan 8.370 nan 0.000 0.448 277 M N 0.428 120.027 119.600 -0.002 0.000 2.065 277 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 277 M C 2.101 177.909 176.300 -0.820 0.000 1.069 277 M CA 1.913 57.047 55.300 -0.277 0.000 1.110 277 M CB -0.029 32.502 32.600 -0.115 0.000 1.328 277 M HN 0.031 nan 8.290 nan 0.000 0.405 278 A N -0.356 122.095 122.820 -0.615 0.000 1.972 278 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 278 A C 1.875 179.224 177.584 -0.391 0.000 1.169 278 A CA 1.639 53.278 52.037 -0.663 0.000 0.635 278 A CB -0.704 18.306 19.000 0.017 0.000 0.810 278 A HN 0.713 nan 8.150 nan 0.000 0.446 279 Q N -1.205 118.472 119.800 -0.204 0.000 2.187 279 Q HA -0.083 4.257 4.340 -0.000 0.000 0.199 279 Q C 2.001 177.944 176.000 -0.095 0.000 0.957 279 Q CA 1.550 57.292 55.803 -0.101 0.000 0.857 279 Q CB -0.286 28.439 28.738 -0.023 0.000 0.929 279 Q HN 0.638 nan 8.270 nan 0.000 0.453 280 T N 0.351 114.818 114.554 -0.145 0.000 2.777 280 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 280 T C 1.198 175.929 174.700 0.051 0.000 1.040 280 T CA 0.947 63.008 62.100 -0.064 0.000 1.141 280 T CB -0.170 68.647 68.868 -0.084 0.000 0.868 280 T HN 0.400 nan 8.240 nan 0.000 0.444 281 W N 0.943 122.204 121.300 -0.066 0.000 2.342 281 W HA 0.109 4.769 4.660 -0.000 0.000 0.297 281 W C 2.049 178.494 176.519 -0.123 0.000 1.213 281 W CA 0.906 58.190 57.345 -0.102 0.000 1.251 281 W CB -1.452 27.914 29.460 -0.158 0.000 1.136 281 W HN 0.481 nan 8.180 nan 0.000 0.526 282 G N 0.460 109.298 108.800 0.062 0.000 2.221 282 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.265 282 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.265 282 G C 0.768 175.666 174.900 -0.005 0.000 1.041 282 G CA 0.672 45.775 45.100 0.004 0.000 0.807 282 G HN 0.422 nan 8.290 nan 0.000 0.502 283 E N -1.501 118.651 120.200 -0.081 0.000 2.415 283 E HA 0.381 4.731 4.350 -0.000 0.000 0.197 283 E C 0.706 177.395 176.600 0.148 0.000 1.007 283 E CA 0.728 57.137 56.400 0.014 0.000 0.890 283 E CB 0.281 30.024 29.700 0.073 0.000 0.891 283 E HN 0.843 nan 8.360 nan 0.000 0.496 284 F N -2.135 117.949 119.950 0.223 0.000 2.741 284 F HA 0.431 4.958 4.527 -0.000 0.000 0.313 284 F C -0.752 175.176 175.800 0.214 0.000 1.153 284 F CA -1.633 56.499 58.000 0.220 0.000 0.931 284 F CB 0.812 39.988 39.000 0.292 0.000 1.335 284 F HN -0.421 nan 8.300 nan 0.000 0.460 285 R N 1.588 122.389 120.500 0.501 0.000 2.489 285 R HA 0.529 4.869 4.340 -0.000 0.000 0.287 285 R C -1.667 174.919 176.300 0.478 0.000 1.053 285 R CA -0.107 56.214 56.100 0.368 0.000 1.036 285 R CB 0.753 31.229 30.300 0.293 0.000 0.966 285 R HN 0.669 nan 8.270 nan 0.000 0.432 286 V N 5.945 126.050 119.914 0.318 0.000 2.444 286 V HA 0.467 4.587 4.120 -0.000 0.000 0.294 286 V C -0.584 175.632 176.094 0.204 0.000 1.022 286 V CA -0.578 61.908 62.300 0.310 0.000 0.850 286 V CB 1.588 33.551 31.823 0.234 0.000 0.992 286 V HN 0.619 nan 8.190 nan 0.000 0.426 287 V N 4.371 124.396 119.914 0.186 0.000 3.087 287 V HA 0.605 4.725 4.120 -0.000 0.000 0.306 287 V C -1.168 174.961 176.094 0.058 0.000 1.187 287 V CA -0.419 61.950 62.300 0.115 0.000 0.999 287 V CB 2.779 34.675 31.823 0.122 0.000 1.049 287 V HN 0.957 nan 8.190 nan 0.000 0.431 288 E N 4.767 124.979 120.200 0.020 0.000 2.092 288 E HA 0.599 4.949 4.350 -0.000 0.000 0.271 288 E C -0.647 175.938 176.600 -0.024 0.000 0.919 288 E CA -0.466 55.912 56.400 -0.037 0.000 0.760 288 E CB 1.725 31.397 29.700 -0.047 0.000 1.106 288 E HN 0.526 nan 8.360 nan 0.000 0.408 289 R N 1.820 122.297 120.500 -0.038 0.000 2.739 289 R HA 0.293 4.633 4.340 -0.000 0.000 0.271 289 R C -0.725 175.556 176.300 -0.033 0.000 1.010 289 R CA -0.560 55.533 56.100 -0.012 0.000 0.897 289 R CB 2.148 32.465 30.300 0.028 0.000 1.236 289 R HN 0.494 nan 8.270 nan 0.000 0.466 290 T N 2.227 116.775 114.554 -0.010 0.000 2.926 290 T HA 0.361 4.711 4.350 -0.000 0.000 0.307 290 T C 0.055 174.760 174.700 0.010 0.000 1.059 290 T CA -0.009 62.083 62.100 -0.012 0.000 1.122 290 T CB 0.097 68.970 68.868 0.009 0.000 0.972 290 T HN 0.353 nan 8.240 nan 0.000 0.545 291 I N 4.432 124.995 120.570 -0.012 0.000 2.418 291 I HA 0.338 4.508 4.170 -0.000 0.000 0.287 291 I C 0.574 176.705 176.117 0.024 0.000 1.008 291 I CA -0.930 60.375 61.300 0.008 0.000 1.104 291 I CB 2.211 40.145 38.000 -0.109 0.000 1.264 291 I HN 0.725 nan 8.210 nan 0.000 0.438 292 T N 2.432 117.029 114.554 0.071 0.000 2.945 292 T HA 0.373 4.723 4.350 -0.000 0.000 0.286 292 T C 1.038 175.760 174.700 0.036 0.000 1.025 292 T CA -0.900 61.234 62.100 0.056 0.000 1.039 292 T CB 1.862 70.769 68.868 0.064 0.000 1.068 292 T HN 0.353 nan 8.240 nan 0.000 0.497 293 M N 0.730 120.324 119.600 -0.010 0.000 2.159 293 M HA -0.011 4.469 4.480 -0.000 0.000 0.263 293 M C 2.189 178.484 176.300 -0.008 0.000 1.063 293 M CA 1.596 56.827 55.300 -0.115 0.000 1.110 293 M CB -1.269 31.124 32.600 -0.345 0.000 1.374 293 M HN 0.889 nan 8.290 nan 0.000 0.411 294 K N 0.375 120.804 120.400 0.049 0.000 2.032 294 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 294 K C 1.916 178.564 176.600 0.080 0.000 1.048 294 K CA 1.740 58.068 56.287 0.069 0.000 0.927 294 K CB -0.034 32.498 32.500 0.053 0.000 0.712 294 K HN 0.409 nan 8.250 nan 0.000 0.441 295 Q N 0.569 120.434 119.800 0.109 0.000 2.084 295 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 295 Q C 2.260 178.400 176.000 0.233 0.000 0.978 295 Q CA 1.341 57.240 55.803 0.160 0.000 0.844 295 Q CB -0.095 28.799 28.738 0.261 0.000 0.898 295 Q HN 0.377 nan 8.270 nan 0.000 0.426 296 L N 0.601 121.962 121.223 0.231 0.000 2.012 296 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 296 L C 2.171 179.128 176.870 0.145 0.000 1.073 296 L CA 1.243 56.215 54.840 0.220 0.000 0.748 296 L CB -0.234 41.856 42.059 0.051 0.000 0.891 296 L HN 0.348 nan 8.230 nan 0.000 0.431 297 L N -0.738 120.539 121.223 0.090 0.000 2.042 297 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 297 L C 2.874 179.793 176.870 0.082 0.000 1.076 297 L CA 1.312 56.204 54.840 0.086 0.000 0.749 297 L CB -0.636 41.479 42.059 0.094 0.000 0.893 297 L HN 0.337 nan 8.230 nan 0.000 0.432 298 R N 0.302 120.845 120.500 0.071 0.000 2.062 298 R HA -0.155 4.185 4.340 -0.000 0.000 0.231 298 R C 2.340 178.662 176.300 0.036 0.000 1.136 298 R CA 1.518 57.642 56.100 0.040 0.000 0.948 298 R CB -0.325 29.982 30.300 0.012 0.000 0.845 298 R HN 0.322 nan 8.270 nan 0.000 0.430 299 A N 1.402 124.250 122.820 0.047 0.000 1.948 299 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 299 A C 2.304 179.946 177.584 0.097 0.000 1.177 299 A CA 1.395 53.459 52.037 0.045 0.000 0.636 299 A CB -0.601 18.474 19.000 0.125 0.000 0.815 299 A HN 0.358 nan 8.150 nan 0.000 0.449 300 L N -0.604 120.691 121.223 0.120 0.000 2.005 300 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 300 L C 2.608 179.526 176.870 0.079 0.000 1.072 300 L CA 1.848 56.751 54.840 0.105 0.000 0.744 300 L CB -0.542 41.577 42.059 0.100 0.000 0.895 300 L HN 0.752 nan 8.230 nan 0.000 0.433 301 E N -0.262 119.978 120.200 0.066 0.000 2.511 301 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 301 E C 1.250 177.872 176.600 0.037 0.000 1.066 301 E CA 0.626 57.057 56.400 0.052 0.000 0.871 301 E CB 0.022 29.750 29.700 0.047 0.000 0.863 301 E HN 0.472 nan 8.360 nan 0.000 0.520 302 E N 0.092 120.310 120.200 0.031 0.000 2.501 302 E HA 0.136 4.486 4.350 -0.000 0.000 0.201 302 E C 0.465 177.075 176.600 0.016 0.000 1.016 302 E CA 0.103 56.510 56.400 0.012 0.000 0.920 302 E CB 0.652 30.346 29.700 -0.011 0.000 1.023 302 E HN 0.451 nan 8.360 nan 0.000 0.474 303 G N 2.178 111.000 108.800 0.038 0.000 2.305 303 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.287 303 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.287 303 G C 0.759 175.680 174.900 0.036 0.000 1.036 303 G CA 0.708 45.834 45.100 0.044 0.000 0.887 303 G HN 0.279 nan 8.290 nan 0.000 0.505 304 R N -1.420 119.106 120.500 0.042 0.000 2.265 304 R HA 0.244 4.584 4.340 -0.000 0.000 0.194 304 R C 1.061 177.431 176.300 0.118 0.000 0.931 304 R CA 0.232 56.349 56.100 0.030 0.000 1.032 304 R CB 0.643 30.918 30.300 -0.043 0.000 0.980 304 R HN 0.333 nan 8.270 nan 0.000 0.497 305 V N 1.790 121.809 119.914 0.175 0.000 2.488 305 V HA 0.105 4.225 4.120 -0.000 0.000 0.277 305 V C 1.017 177.191 176.094 0.134 0.000 1.046 305 V CA 0.248 62.686 62.300 0.231 0.000 0.986 305 V CB 1.371 33.317 31.823 0.204 0.000 0.989 305 V HN 0.255 nan 8.190 nan 0.000 0.475 306 R N 2.516 123.086 120.500 0.117 0.000 2.102 306 R HA 0.302 4.642 4.340 -0.000 0.000 0.208 306 R C -0.051 176.353 176.300 0.173 0.000 1.131 306 R CA 0.374 56.532 56.100 0.097 0.000 1.054 306 R CB 0.490 30.783 30.300 -0.013 0.000 0.954 306 R HN 0.731 nan 8.270 nan 0.000 0.465 307 E N 0.272 120.628 120.200 0.260 0.000 2.331 307 E HA 0.394 4.744 4.350 -0.000 0.000 0.275 307 E C -1.644 175.139 176.600 0.306 0.000 0.895 307 E CA -0.611 55.967 56.400 0.296 0.000 0.753 307 E CB 3.361 33.279 29.700 0.363 0.000 1.216 307 E HN -0.190 nan 8.360 nan 0.000 0.434 308 V N 3.041 123.113 119.914 0.264 0.000 2.638 308 V HA 0.659 4.779 4.120 -0.000 0.000 0.306 308 V C -1.058 175.208 176.094 0.288 0.000 1.052 308 V CA -0.772 61.608 62.300 0.132 0.000 0.885 308 V CB 0.775 32.600 31.823 0.005 0.000 0.999 308 V HN 0.653 nan 8.190 nan 0.000 0.424 309 F N 1.541 121.546 119.950 0.092 0.000 2.713 309 F HA 0.949 5.476 4.527 -0.000 0.000 0.311 309 F C 0.081 175.965 175.800 0.140 0.000 1.141 309 F CA -0.995 57.069 58.000 0.106 0.000 0.939 309 F CB 1.274 40.334 39.000 0.100 0.000 1.325 309 F HN 0.647 nan 8.300 nan 0.000 0.453 310 G N -0.055 108.911 108.800 0.275 0.000 2.461 310 G HA2 0.603 4.563 3.960 -0.000 0.000 0.329 310 G HA3 0.603 4.563 3.960 -0.000 0.000 0.329 310 G C -1.443 173.607 174.900 0.250 0.000 1.170 310 G CA -0.568 44.644 45.100 0.186 0.000 0.935 310 G HN 1.202 nan 8.290 nan 0.000 0.492 311 S N -0.903 114.913 115.700 0.194 0.000 2.547 311 S HA 0.913 5.383 4.470 -0.000 0.000 0.281 311 S C -0.293 174.343 174.600 0.061 0.000 1.118 311 S CA -0.074 58.205 58.200 0.132 0.000 0.947 311 S CB 2.011 65.307 63.200 0.160 0.000 1.053 311 S HN 2.015 nan 8.310 nan 0.000 0.482 312 G N 0.638 109.432 108.800 -0.010 0.000 2.489 312 G HA2 0.435 4.395 3.960 -0.000 0.000 0.291 312 G HA3 0.435 4.395 3.960 -0.000 0.000 0.291 312 G C 0.111 174.970 174.900 -0.070 0.000 1.487 312 G CA -0.156 44.928 45.100 -0.027 0.000 0.795 312 G HN 0.577 nan 8.290 nan 0.000 0.513 313 T N 0.945 115.485 114.554 -0.023 0.000 2.788 313 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 313 T C 2.715 177.355 174.700 -0.100 0.000 1.044 313 T CA 2.664 64.767 62.100 0.004 0.000 1.139 313 T CB -0.265 68.679 68.868 0.126 0.000 0.867 313 T HN 0.936 nan 8.240 nan 0.000 0.454 314 A N -0.343 122.329 122.820 -0.247 0.000 1.897 314 A HA 0.051 4.371 4.320 -0.000 0.000 0.215 314 A C 1.679 178.732 177.584 -0.886 0.000 1.181 314 A CA 0.805 52.514 52.037 -0.548 0.000 0.620 314 A CB -0.423 18.159 19.000 -0.696 0.000 0.821 314 A HN 0.567 nan 8.150 nan 0.000 0.443 315 C N 0.688 119.522 119.300 -0.777 0.000 2.814 315 C HA 0.410 4.870 4.460 -0.000 0.000 0.269 315 C C 1.433 176.247 174.990 -0.292 0.000 1.090 315 C CA -0.846 57.727 59.018 -0.742 0.000 1.492 315 C CB -0.663 26.557 27.740 -0.866 0.000 1.825 315 C HN 0.638 nan 8.230 nan 0.000 0.442 316 Q N 1.942 121.629 119.800 -0.189 0.000 2.047 316 Q HA -0.164 4.176 4.340 -0.000 0.000 0.211 316 Q C 0.391 176.365 176.000 -0.043 0.000 1.005 316 Q CA 1.618 57.361 55.803 -0.101 0.000 0.866 316 Q CB -0.077 28.610 28.738 -0.084 0.000 0.938 316 Q HN 0.682 nan 8.270 nan 0.000 0.414 317 V N 0.029 119.956 119.914 0.023 0.000 2.462 317 V HA 0.198 4.318 4.120 -0.000 0.000 0.288 317 V C -0.883 175.322 176.094 0.185 0.000 1.020 317 V CA -0.900 61.447 62.300 0.079 0.000 0.857 317 V CB 1.746 33.538 31.823 -0.052 0.000 1.013 317 V HN 0.287 nan 8.190 nan 0.000 0.431 318 C N 8.142 127.596 119.300 0.256 0.000 2.271 318 C HA 0.658 5.118 4.460 -0.000 0.000 0.323 318 C C -2.430 172.750 174.990 0.318 0.000 1.245 318 C CA -1.904 57.302 59.018 0.314 0.000 1.548 318 C CB 1.057 28.938 27.740 0.235 0.000 2.214 318 C HN 0.715 nan 8.230 nan 0.000 0.477 319 P HA 0.208 nan 4.420 nan 0.000 0.268 319 P C -0.956 176.476 177.300 0.221 0.000 1.205 319 P CA 0.098 63.328 63.100 0.217 0.000 0.771 319 P CB 0.567 32.331 31.700 0.106 0.000 0.858 320 V N 3.881 123.911 119.914 0.194 0.000 2.495 320 V HA 0.236 4.356 4.120 -0.000 0.000 0.298 320 V C 1.073 177.229 176.094 0.104 0.000 1.031 320 V CA -0.178 62.201 62.300 0.131 0.000 0.871 320 V CB 1.290 33.152 31.823 0.066 0.000 0.988 320 V HN 0.779 nan 8.190 nan 0.000 0.432 321 H N 3.874 122.944 119.070 0.001 0.000 3.058 321 H HA 0.386 4.942 4.556 -0.000 0.000 0.258 321 H C 0.483 175.751 175.328 -0.100 0.000 1.015 321 H CA -0.398 55.607 56.048 -0.072 0.000 1.210 321 H CB 1.034 30.797 29.762 0.001 0.000 1.481 321 H HN 0.523 nan 8.280 nan 0.000 0.492 322 R N 0.661 120.811 120.500 -0.582 0.000 2.584 322 R HA 0.556 4.896 4.340 -0.000 0.000 0.276 322 R C -1.992 174.178 176.300 -0.217 0.000 1.046 322 R CA -0.574 55.300 56.100 -0.377 0.000 0.906 322 R CB 2.038 32.066 30.300 -0.453 0.000 1.215 322 R HN 0.124 nan 8.270 nan 0.000 0.449 323 I N 4.941 125.449 120.570 -0.104 0.000 2.468 323 I HA 0.237 4.407 4.170 -0.000 0.000 0.285 323 I C -0.965 175.156 176.117 0.007 0.000 1.039 323 I CA -1.042 60.224 61.300 -0.057 0.000 1.074 323 I CB 2.003 39.967 38.000 -0.061 0.000 1.228 323 I HN 0.436 nan 8.210 nan 0.000 0.436 324 L N 8.448 129.683 121.223 0.020 0.000 2.334 324 L HA 0.262 4.602 4.340 -0.000 0.000 0.286 324 L C -0.343 176.605 176.870 0.130 0.000 1.108 324 L CA 0.507 55.384 54.840 0.062 0.000 0.875 324 L CB -0.259 41.822 42.059 0.038 0.000 1.246 324 L HN 0.543 nan 8.230 nan 0.000 0.439 325 Y N 3.641 123.933 120.300 -0.013 0.000 2.976 325 Y HA 0.226 4.776 4.550 -0.000 0.000 0.214 325 Y C 0.568 176.458 175.900 -0.016 0.000 0.927 325 Y CA -0.500 57.590 58.100 -0.015 0.000 1.000 325 Y CB 0.473 38.936 38.460 0.004 0.000 1.069 325 Y HN 0.215 nan 8.280 nan 0.000 0.462 326 K N 2.883 123.077 120.400 -0.343 0.000 2.155 326 K HA 0.043 4.363 4.320 -0.000 0.000 0.240 326 K C -1.054 175.468 176.600 -0.130 0.000 1.193 326 K CA 0.722 56.795 56.287 -0.356 0.000 1.104 326 K CB -0.266 31.947 32.500 -0.477 0.000 1.558 326 K HN 0.589 nan 8.250 nan 0.000 0.313 327 D N -0.066 120.294 120.400 -0.067 0.000 2.921 327 D HA -0.238 4.402 4.640 -0.000 0.000 0.202 327 D C 0.177 176.478 176.300 0.002 0.000 1.082 327 D CA 1.459 55.444 54.000 -0.025 0.000 1.014 327 D CB -0.350 40.430 40.800 -0.034 0.000 1.120 327 D HN 0.489 nan 8.370 nan 0.000 0.416 328 R N 0.975 121.483 120.500 0.013 0.000 2.255 328 R HA 0.338 4.678 4.340 -0.000 0.000 0.326 328 R C -0.730 175.617 176.300 0.078 0.000 0.986 328 R CA -0.577 55.551 56.100 0.046 0.000 0.847 328 R CB 0.575 30.905 30.300 0.050 0.000 1.111 328 R HN -0.083 nan 8.270 nan 0.000 0.452 329 N N 5.085 123.825 118.700 0.067 0.000 2.470 329 N HA 0.141 4.881 4.740 -0.000 0.000 0.268 329 N C -0.801 174.761 175.510 0.086 0.000 1.136 329 N CA 0.075 53.167 53.050 0.070 0.000 0.961 329 N CB 1.107 39.632 38.487 0.064 0.000 1.067 329 N HN 0.486 nan 8.380 nan 0.000 0.468 330 L N 2.582 123.851 121.223 0.077 0.000 2.298 330 L HA 0.240 4.580 4.340 -0.000 0.000 0.284 330 L C 0.203 177.117 176.870 0.073 0.000 1.013 330 L CA -0.869 54.020 54.840 0.082 0.000 0.824 330 L CB 0.931 43.026 42.059 0.060 0.000 1.221 330 L HN 0.490 nan 8.230 nan 0.000 0.418 331 H N 4.573 123.669 119.070 0.043 0.000 2.646 331 H HA 0.359 4.915 4.556 -0.000 0.000 0.325 331 H C -0.650 174.713 175.328 0.058 0.000 1.075 331 H CA -0.236 55.844 56.048 0.053 0.000 1.421 331 H CB 0.758 30.561 29.762 0.068 0.000 1.461 331 H HN 0.288 nan 8.280 nan 0.000 0.525 332 I N 8.120 128.333 120.570 -0.595 0.000 2.328 332 I HA 0.183 4.353 4.170 -0.000 0.000 0.287 332 I C -1.949 173.889 176.117 -0.465 0.000 1.012 332 I CA -2.981 58.116 61.300 -0.337 0.000 1.195 332 I CB 1.163 39.064 38.000 -0.164 0.000 1.350 332 I HN 0.650 nan 8.210 nan 0.000 0.464 333 P HA -0.007 nan 4.420 nan 0.000 0.261 333 P C 1.274 178.611 177.300 0.061 0.000 1.297 333 P CA 0.579 63.699 63.100 0.033 0.000 0.757 333 P CB -0.131 31.642 31.700 0.122 0.000 1.149 334 T N -0.094 114.480 114.554 0.033 0.000 2.597 334 T HA -0.205 4.144 4.350 -0.000 0.000 0.267 334 T C 1.690 176.436 174.700 0.077 0.000 1.053 334 T CA 1.565 63.716 62.100 0.085 0.000 1.165 334 T CB -0.498 68.433 68.868 0.105 0.000 0.863 334 T HN 0.098 nan 8.240 nan 0.000 0.427 335 M N 0.874 120.517 119.600 0.071 0.000 2.229 335 M HA 0.021 4.501 4.480 -0.000 0.000 0.264 335 M C 2.137 178.472 176.300 0.059 0.000 1.063 335 M CA 1.280 56.610 55.300 0.050 0.000 1.114 335 M CB -1.316 31.306 32.600 0.035 0.000 1.387 335 M HN 0.181 nan 8.290 nan 0.000 0.420 336 E N 0.992 121.250 120.200 0.097 0.000 2.023 336 E HA -0.044 4.306 4.350 -0.000 0.000 0.196 336 E C 0.659 177.298 176.600 0.065 0.000 1.003 336 E CA 0.693 57.146 56.400 0.090 0.000 0.809 336 E CB -0.476 29.302 29.700 0.129 0.000 0.755 336 E HN 0.437 nan 8.360 nan 0.000 0.449 337 N N 1.957 120.701 118.700 0.074 0.000 2.423 337 N HA 0.055 4.795 4.740 -0.000 0.000 0.275 337 N C 0.045 175.586 175.510 0.051 0.000 1.283 337 N CA 0.552 53.641 53.050 0.065 0.000 0.932 337 N CB 0.495 39.033 38.487 0.085 0.000 1.185 337 N HN 0.135 nan 8.380 nan 0.000 0.483 338 G N 3.390 112.209 108.800 0.032 0.000 2.227 338 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.250 338 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.250 338 G C -1.853 173.054 174.900 0.012 0.000 0.910 338 G CA -0.666 44.441 45.100 0.013 0.000 0.922 338 G HN 0.414 nan 8.290 nan 0.000 0.385 339 P HA 0.016 nan 4.420 nan 0.000 0.272 339 P C 1.141 178.407 177.300 -0.056 0.000 1.542 339 P CA 0.162 63.248 63.100 -0.023 0.000 0.846 339 P CB 0.069 31.741 31.700 -0.046 0.000 1.782 340 E N 0.205 120.385 120.200 -0.033 0.000 2.037 340 E HA -0.246 4.104 4.350 -0.000 0.000 0.214 340 E C 1.582 178.085 176.600 -0.162 0.000 1.041 340 E CA 1.364 57.724 56.400 -0.066 0.000 0.872 340 E CB -0.517 29.180 29.700 -0.005 0.000 0.785 340 E HN 0.218 nan 8.360 nan 0.000 0.476 341 L N 1.268 122.347 121.223 -0.240 0.000 2.012 341 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 341 L C 2.223 178.820 176.870 -0.455 0.000 1.073 341 L CA 1.483 56.033 54.840 -0.483 0.000 0.748 341 L CB -0.533 41.050 42.059 -0.793 0.000 0.891 341 L HN 0.215 nan 8.230 nan 0.000 0.431 342 I N -1.081 119.255 120.570 -0.390 0.000 2.127 342 I HA -0.367 3.803 4.170 -0.000 0.000 0.241 342 I C 2.434 178.466 176.117 -0.142 0.000 1.075 342 I CA 1.563 62.654 61.300 -0.349 0.000 1.334 342 I CB -0.400 37.401 38.000 -0.332 0.000 1.040 342 I HN 0.269 nan 8.210 nan 0.000 0.405 343 L N 0.243 121.391 121.223 -0.124 0.000 2.083 343 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 343 L C 2.758 179.603 176.870 -0.042 0.000 1.083 343 L CA 1.359 56.159 54.840 -0.067 0.000 0.752 343 L CB -0.599 41.419 42.059 -0.069 0.000 0.899 343 L HN 0.263 nan 8.230 nan 0.000 0.433 344 R N 0.138 120.582 120.500 -0.094 0.000 2.075 344 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 344 R C 2.269 178.644 176.300 0.125 0.000 1.126 344 R CA 1.474 57.533 56.100 -0.069 0.000 0.963 344 R CB -0.453 29.703 30.300 -0.241 0.000 0.858 344 R HN 0.173 nan 8.270 nan 0.000 0.435 345 F N 1.000 120.994 119.950 0.073 0.000 2.134 345 F HA -0.220 4.307 4.527 0.000 0.000 0.299 345 F C 2.579 178.390 175.800 0.019 0.000 1.097 345 F CA 1.165 59.207 58.000 0.070 0.000 1.264 345 F CB -0.074 38.876 39.000 -0.083 0.000 1.001 345 F HN 0.185 nan 8.300 nan 0.000 0.479 346 Q N 0.223 120.130 119.800 0.179 0.000 2.124 346 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 346 Q C 2.079 178.136 176.000 0.095 0.000 0.977 346 Q CA 1.500 57.364 55.803 0.101 0.000 0.850 346 Q CB -0.282 28.503 28.738 0.079 0.000 0.901 346 Q HN 0.398 nan 8.270 nan 0.000 0.429 347 K N 1.142 121.598 120.400 0.093 0.000 2.025 347 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 347 K C 1.926 178.587 176.600 0.102 0.000 1.049 347 K CA 1.163 57.495 56.287 0.076 0.000 0.933 347 K CB 0.111 32.639 32.500 0.047 0.000 0.714 347 K HN 0.136 nan 8.250 nan 0.000 0.438 348 E N 0.573 120.868 120.200 0.158 0.000 2.085 348 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 348 E C 2.117 178.797 176.600 0.134 0.000 0.994 348 E CA 1.266 57.776 56.400 0.184 0.000 0.801 348 E CB -0.057 29.834 29.700 0.318 0.000 0.743 348 E HN 0.338 nan 8.360 nan 0.000 0.453 349 L N 0.651 121.938 121.223 0.106 0.000 2.056 349 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 349 L C 2.671 179.501 176.870 -0.067 0.000 1.078 349 L CA 1.149 55.980 54.840 -0.014 0.000 0.749 349 L CB -0.343 41.651 42.059 -0.109 0.000 0.901 349 L HN 0.060 nan 8.230 nan 0.000 0.433 350 K N 0.482 120.899 120.400 0.028 0.000 2.032 350 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 350 K C 1.937 178.627 176.600 0.151 0.000 1.048 350 K CA 1.645 58.010 56.287 0.130 0.000 0.927 350 K CB 0.026 32.595 32.500 0.116 0.000 0.712 350 K HN 0.320 nan 8.250 nan 0.000 0.441 351 E N 0.293 120.551 120.200 0.096 0.000 2.077 351 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 351 E C 2.090 178.741 176.600 0.085 0.000 0.989 351 E CA 1.462 57.919 56.400 0.095 0.000 0.800 351 E CB -0.104 29.646 29.700 0.083 0.000 0.746 351 E HN 0.376 nan 8.360 nan 0.000 0.452 352 I N 1.034 121.638 120.570 0.056 0.000 2.193 352 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 352 I C 2.479 178.585 176.117 -0.018 0.000 1.084 352 I CA 1.203 62.537 61.300 0.057 0.000 1.365 352 I CB -0.255 37.785 38.000 0.067 0.000 1.064 352 I HN 0.062 nan 8.210 nan 0.000 0.410 353 Q N -0.170 119.485 119.800 -0.243 0.000 2.124 353 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 353 Q C 1.280 176.928 176.000 -0.588 0.000 0.977 353 Q CA 1.581 56.973 55.803 -0.685 0.000 0.850 353 Q CB -0.094 27.630 28.738 -1.691 0.000 0.901 353 Q HN 0.561 nan 8.270 nan 0.000 0.429 354 Y N -0.819 119.398 120.300 -0.138 0.000 2.532 354 Y HA 0.251 4.801 4.550 -0.000 0.000 0.283 354 Y C 1.318 177.241 175.900 0.038 0.000 1.181 354 Y CA 0.228 58.330 58.100 0.003 0.000 1.256 354 Y CB 0.621 39.095 38.460 0.025 0.000 1.112 354 Y HN 0.191 nan 8.280 nan 0.000 0.521 355 G N 0.085 108.954 108.800 0.115 0.000 2.155 355 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 355 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 355 G C 0.959 175.922 174.900 0.104 0.000 0.983 355 G CA 0.622 45.789 45.100 0.111 0.000 0.676 355 G HN 0.318 nan 8.290 nan 0.000 0.528 356 I N -0.043 120.593 120.570 0.110 0.000 2.361 356 I HA 0.017 4.187 4.170 -0.000 0.000 0.251 356 I C 1.704 177.865 176.117 0.072 0.000 1.133 356 I CA 1.344 62.695 61.300 0.085 0.000 1.413 356 I CB -0.635 37.413 38.000 0.081 0.000 1.073 356 I HN 0.331 nan 8.210 nan 0.000 0.424 357 R N 0.152 120.702 120.500 0.084 0.000 2.532 357 R HA 0.621 4.961 4.340 -0.000 0.000 0.297 357 R C -0.357 176.003 176.300 0.100 0.000 0.984 357 R CA -0.553 55.595 56.100 0.080 0.000 0.884 357 R CB 2.110 32.462 30.300 0.086 0.000 1.182 357 R HN 0.045 nan 8.270 nan 0.000 0.442 358 A N 2.630 125.496 122.820 0.076 0.000 2.483 358 A HA 0.189 4.509 4.320 -0.000 0.000 0.238 358 A C -0.407 177.243 177.584 0.110 0.000 1.070 358 A CA 0.504 52.591 52.037 0.083 0.000 0.770 358 A CB 0.314 19.338 19.000 0.040 0.000 1.008 358 A HN 0.743 nan 8.150 nan 0.000 0.497 359 H N 0.629 119.719 119.070 0.033 0.000 3.112 359 H HA 0.149 4.705 4.556 0.000 0.000 0.347 359 H C 0.140 175.508 175.328 0.068 0.000 1.188 359 H CA -0.480 55.564 56.048 -0.007 0.000 1.240 359 H CB 1.646 31.393 29.762 -0.026 0.000 1.920 359 H HN 0.756 nan 8.280 nan 0.000 0.535 360 E N 2.880 123.143 120.200 0.106 0.000 2.333 360 E HA -0.097 4.253 4.350 -0.000 0.000 0.198 360 E C 1.027 177.942 176.600 0.525 0.000 1.007 360 E CA 0.618 57.144 56.400 0.210 0.000 0.845 360 E CB 0.045 29.756 29.700 0.018 0.000 0.766 360 E HN 0.522 nan 8.360 nan 0.000 0.507 361 W N -0.020 121.598 121.300 0.531 0.000 2.425 361 W HA -0.036 4.624 4.660 0.000 0.000 0.277 361 W C 0.715 177.411 176.519 0.294 0.000 1.231 361 W CA 0.223 57.717 57.345 0.248 0.000 1.248 361 W CB -0.346 29.034 29.460 -0.133 0.000 1.117 361 W HN 0.001 nan 8.180 nan 0.000 0.568 362 M N -0.123 119.800 119.600 0.537 0.000 2.216 362 M HA 0.164 4.644 4.480 -0.000 0.000 0.356 362 M C -0.785 175.781 176.300 0.444 0.000 1.205 362 M CA -1.127 54.415 55.300 0.404 0.000 1.122 362 M CB 0.165 32.942 32.600 0.295 0.000 1.571 362 M HN -0.187 nan 8.290 nan 0.000 0.464 363 F N 5.387 125.409 119.950 0.120 0.000 2.402 363 F HA 0.552 5.079 4.527 -0.000 0.000 0.355 363 F C -2.304 173.524 175.800 0.047 0.000 1.123 363 F CA -2.464 55.561 58.000 0.041 0.000 1.021 363 F CB 1.274 40.065 39.000 -0.347 0.000 1.160 363 F HN 0.345 nan 8.300 nan 0.000 0.451 364 P HA 0.139 nan 4.420 nan 0.000 0.265 364 P C -0.506 176.564 177.300 -0.384 0.000 1.193 364 P CA 0.607 63.524 63.100 -0.305 0.000 0.765 364 P CB 0.576 32.131 31.700 -0.242 0.000 0.823 365 V N 0.000 119.831 119.914 -0.138 0.000 2.409 365 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 365 V CA 0.000 62.263 62.300 -0.061 0.000 1.235 365 V CB 0.000 31.786 31.823 -0.062 0.000 1.184 365 V HN 0.000 nan 8.190 nan 0.000 0.556