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 2zym_1_A DATA FIRST_RESID 17 DATA SEQUENCE KPDKLVVWEN ADDGVQLNNT KKWAGEFTKK TGIQVEVVPV ALLKQQEKLT DATA SEQUENCE LDGPAGKGAD LVTWPHDRLG EAVTKGLLQP IQVDNSVKNQ FDDVAMKALT DATA SEQUENCE YGGKLYGLPK AIESVALIYN KKLMGQVPAT YDELFQYAKA NNKPDEQKYG DATA SEQUENCE VLFEANNFYY TYFLFAAKGA AVFKEQDGTL DPNEIGLNSP EAVQGMNEVQ DATA SEQUENCE KWFTEARLPQ SLKADTVNGL FKSGKVAAVI NGPWAIKDYQ AAGINVGVAP DATA SEQUENCE LPKIDGKDAQ TFIGVKGWYL SAYSKYPKYA TELMQFLTSK EALASRFKET DATA SEQUENCE GEIPPQKELL NDPMIKNNPV VNGFAKQASK GVPMPSIPEM GVVWEPINNA DATA SEQUENCE HTFVAQGKQT PEQALNDAVK IMKEKIQTMK Q 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.597 176.600 -0.004 0.000 0.988 17 K CA 0.000 56.295 56.287 0.013 0.000 0.838 17 K CB 0.000 32.520 32.500 0.034 0.000 1.064 18 P HA 0.208 nan 4.420 nan 0.000 0.271 18 P C -0.945 176.297 177.300 -0.096 0.000 1.218 18 P CA -0.293 62.772 63.100 -0.058 0.000 0.780 18 P CB 0.493 32.156 31.700 -0.061 0.000 0.901 19 D N 2.003 122.316 120.400 -0.146 0.000 2.450 19 D HA 0.048 4.693 4.640 0.008 0.000 0.247 19 D C 0.097 176.252 176.300 -0.242 0.000 1.162 19 D CA 0.704 54.555 54.000 -0.250 0.000 0.879 19 D CB 0.736 41.349 40.800 -0.311 0.000 1.163 19 D HN 0.271 nan 8.370 nan 0.000 0.472 20 K N 3.104 123.331 120.400 -0.289 0.000 2.427 20 K HA 0.462 4.787 4.320 0.008 0.000 0.252 20 K C -1.211 175.278 176.600 -0.185 0.000 0.931 20 K CA -0.671 55.510 56.287 -0.177 0.000 0.793 20 K CB 1.258 33.706 32.500 -0.087 0.000 1.211 20 K HN 0.308 nan 8.250 nan 0.000 0.426 21 L N 3.111 124.276 121.223 -0.098 0.000 2.342 21 L HA 0.588 4.933 4.340 0.008 0.000 0.271 21 L C -0.742 176.106 176.870 -0.038 0.000 1.008 21 L CA -1.314 53.495 54.840 -0.052 0.000 0.818 21 L CB 2.123 44.140 42.059 -0.070 0.000 1.296 21 L HN 0.299 nan 8.230 nan 0.000 0.427 22 V N 2.619 122.510 119.914 -0.039 0.000 2.495 22 V HA 0.510 4.635 4.120 0.008 0.000 0.298 22 V C -0.328 175.693 176.094 -0.122 0.000 1.031 22 V CA -0.643 61.631 62.300 -0.043 0.000 0.871 22 V CB 2.174 33.987 31.823 -0.018 0.000 0.988 22 V HN 0.409 nan 8.190 nan 0.000 0.432 23 V N 3.393 123.275 119.914 -0.053 0.000 2.540 23 V HA 0.492 4.617 4.120 0.008 0.000 0.302 23 V C -1.175 175.060 176.094 0.236 0.000 1.035 23 V CA -0.665 61.599 62.300 -0.059 0.000 0.873 23 V CB 2.205 33.925 31.823 -0.172 0.000 0.992 23 V HN 0.833 nan 8.190 nan 0.000 0.428 24 W N 3.057 124.444 121.300 0.145 0.000 2.314 24 W HA 0.680 5.347 4.660 0.012 0.000 0.310 24 W C 0.124 176.817 176.519 0.291 0.000 1.075 24 W CA -0.919 56.539 57.345 0.189 0.000 1.253 24 W CB 1.143 30.711 29.460 0.180 0.000 1.238 24 W HN 0.568 nan 8.180 nan 0.000 0.440 25 E N 2.094 122.550 120.200 0.427 0.000 2.244 25 E HA 0.239 4.594 4.350 0.008 0.000 0.266 25 E C -0.269 176.416 176.600 0.142 0.000 0.914 25 E CA -0.865 55.718 56.400 0.304 0.000 0.794 25 E CB 0.837 30.727 29.700 0.316 0.000 1.210 25 E HN 0.234 nan 8.360 nan 0.000 0.414 26 N N 1.697 120.428 118.700 0.051 0.000 2.292 26 N HA -0.028 4.717 4.740 0.008 0.000 0.258 26 N C -0.847 174.663 175.510 -0.001 0.000 1.261 26 N CA 0.784 53.830 53.050 -0.006 0.000 0.845 26 N CB 0.599 39.050 38.487 -0.059 0.000 1.064 26 N HN 0.499 nan 8.380 nan 0.000 0.471 27 A N 3.246 126.051 122.820 -0.026 0.000 3.077 27 A HA 0.050 4.375 4.320 0.008 0.000 0.255 27 A C 0.669 178.238 177.584 -0.025 0.000 1.728 27 A CA -0.328 51.694 52.037 -0.025 0.000 1.383 27 A CB -0.592 18.379 19.000 -0.049 0.000 1.097 27 A HN 0.788 nan 8.150 nan 0.000 0.634 28 D N -0.064 120.328 120.400 -0.013 0.000 2.340 28 D HA -0.069 4.576 4.640 0.008 0.000 0.220 28 D C 0.328 176.631 176.300 0.004 0.000 1.039 28 D CA 0.363 54.357 54.000 -0.010 0.000 0.866 28 D CB -0.250 40.545 40.800 -0.008 0.000 0.913 28 D HN 0.399 nan 8.370 nan 0.000 0.523 29 D N -0.854 119.550 120.400 0.007 0.000 2.782 29 D HA -0.157 4.488 4.640 0.008 0.000 0.231 29 D C 0.477 176.788 176.300 0.018 0.000 1.163 29 D CA 1.496 55.504 54.000 0.013 0.000 0.680 29 D CB -0.971 39.834 40.800 0.008 0.000 1.062 29 D HN 0.537 nan 8.370 nan 0.000 0.425 30 G N -2.342 106.471 108.800 0.022 0.000 3.008 30 G HA2 0.336 4.301 3.960 0.008 0.000 0.148 30 G HA3 0.336 4.301 3.960 0.008 0.000 0.148 30 G C 1.041 175.958 174.900 0.029 0.000 1.184 30 G CA 0.149 45.263 45.100 0.023 0.000 1.087 30 G HN 0.668 nan 8.290 nan 0.000 0.602 31 V N -1.075 118.854 119.914 0.024 0.000 2.343 31 V HA -0.098 4.027 4.120 0.008 0.000 0.247 31 V C 2.369 178.489 176.094 0.043 0.000 1.051 31 V CA 2.766 65.082 62.300 0.027 0.000 1.036 31 V CB -1.135 30.692 31.823 0.007 0.000 0.654 31 V HN 0.607 nan 8.190 nan 0.000 0.451 32 Q N -0.015 119.805 119.800 0.035 0.000 2.046 32 Q HA -0.088 4.257 4.340 0.008 0.000 0.200 32 Q C 2.282 178.330 176.000 0.080 0.000 0.975 32 Q CA 1.919 57.747 55.803 0.043 0.000 0.836 32 Q CB -0.371 28.372 28.738 0.008 0.000 0.896 32 Q HN 0.612 nan 8.270 nan 0.000 0.428 33 L N 1.257 122.522 121.223 0.072 0.000 2.017 33 L HA -0.204 4.142 4.340 0.008 0.000 0.208 33 L C 1.884 178.818 176.870 0.108 0.000 1.073 33 L CA 2.000 56.897 54.840 0.094 0.000 0.745 33 L CB -0.603 41.497 42.059 0.068 0.000 0.894 33 L HN 0.162 nan 8.230 nan 0.000 0.432 34 N N -0.362 118.390 118.700 0.087 0.000 2.120 34 N HA -0.251 4.494 4.740 0.008 0.000 0.188 34 N C 1.847 177.431 175.510 0.122 0.000 1.024 34 N CA 1.591 54.692 53.050 0.086 0.000 0.852 34 N CB -0.373 38.150 38.487 0.061 0.000 1.003 34 N HN 0.467 nan 8.380 nan 0.000 0.424 35 N N -0.746 118.045 118.700 0.151 0.000 2.120 35 N HA -0.120 4.625 4.740 0.008 0.000 0.188 35 N C 1.029 176.745 175.510 0.343 0.000 1.024 35 N CA 1.668 54.864 53.050 0.244 0.000 0.852 35 N CB -0.213 38.407 38.487 0.222 0.000 1.003 35 N HN 0.267 nan 8.380 nan 0.000 0.424 36 T N 1.261 115.987 114.554 0.287 0.000 2.821 36 T HA -0.036 4.319 4.350 0.008 0.000 0.267 36 T C 1.858 176.715 174.700 0.261 0.000 1.046 36 T CA 0.890 63.188 62.100 0.331 0.000 1.139 36 T CB -0.001 69.090 68.868 0.370 0.000 0.871 36 T HN 0.305 nan 8.240 nan 0.000 0.454 37 K N 0.887 121.400 120.400 0.188 0.000 2.063 37 K HA -0.111 4.214 4.320 0.008 0.000 0.208 37 K C 2.446 179.112 176.600 0.110 0.000 1.048 37 K CA 0.920 57.284 56.287 0.129 0.000 0.928 37 K CB -0.087 32.468 32.500 0.092 0.000 0.713 37 K HN 0.023 nan 8.250 nan 0.000 0.442 38 K N 0.634 121.097 120.400 0.104 0.000 1.978 38 K HA -0.182 4.143 4.320 0.008 0.000 0.214 38 K C 1.839 178.422 176.600 -0.029 0.000 1.049 38 K CA 1.753 58.029 56.287 -0.020 0.000 0.939 38 K CB -0.491 31.952 32.500 -0.094 0.000 0.721 38 K HN 0.241 nan 8.250 nan 0.000 0.441 39 W N 0.801 122.196 121.300 0.158 0.000 2.425 39 W HA -0.016 4.648 4.660 0.007 0.000 0.277 39 W C 2.357 179.063 176.519 0.311 0.000 1.231 39 W CA 1.151 58.649 57.345 0.255 0.000 1.248 39 W CB -0.404 29.182 29.460 0.211 0.000 1.117 39 W HN 0.238 nan 8.180 nan 0.000 0.568 40 A N 0.432 123.459 122.820 0.345 0.000 1.902 40 A HA -0.052 4.273 4.320 0.008 0.000 0.217 40 A C 2.282 179.955 177.584 0.149 0.000 1.181 40 A CA 1.878 54.031 52.037 0.194 0.000 0.623 40 A CB -1.469 17.585 19.000 0.089 0.000 0.818 40 A HN 0.301 nan 8.150 nan 0.000 0.443 41 G N -0.386 108.474 108.800 0.100 0.000 2.442 41 G HA2 -0.210 3.755 3.960 0.008 0.000 0.219 41 G HA3 -0.210 3.755 3.960 0.008 0.000 0.219 41 G C 1.361 176.267 174.900 0.009 0.000 1.141 41 G CA 1.018 46.136 45.100 0.030 0.000 0.763 41 G HN 0.504 nan 8.290 nan 0.000 0.554 42 E N -0.066 120.171 120.200 0.062 0.000 2.152 42 E HA -0.055 4.300 4.350 0.008 0.000 0.192 42 E C 2.019 178.568 176.600 -0.085 0.000 0.983 42 E CA 0.282 56.731 56.400 0.082 0.000 0.818 42 E CB -0.342 29.498 29.700 0.233 0.000 0.758 42 E HN 0.539 nan 8.360 nan 0.000 0.467 43 F N 2.058 121.760 119.950 -0.413 0.000 2.146 43 F HA -0.180 4.352 4.527 0.008 0.000 0.298 43 F C 2.309 177.844 175.800 -0.441 0.000 1.096 43 F CA 1.630 59.111 58.000 -0.865 0.000 1.275 43 F CB -0.183 38.388 39.000 -0.715 0.000 1.008 43 F HN -0.094 nan 8.300 nan 0.000 0.480 44 T N 0.295 114.741 114.554 -0.179 0.000 2.746 44 T HA -0.237 4.118 4.350 0.008 0.000 0.267 44 T C 1.965 176.515 174.700 -0.250 0.000 1.039 44 T CA 1.667 63.642 62.100 -0.208 0.000 1.142 44 T CB -0.321 68.502 68.868 -0.076 0.000 0.866 44 T HN 0.205 nan 8.240 nan 0.000 0.444 45 K N 0.851 121.136 120.400 -0.191 0.000 2.103 45 K HA -0.119 4.206 4.320 0.008 0.000 0.207 45 K C 2.381 178.863 176.600 -0.196 0.000 1.048 45 K CA 1.261 57.455 56.287 -0.155 0.000 0.930 45 K CB -0.023 32.418 32.500 -0.099 0.000 0.716 45 K HN 0.202 nan 8.250 nan 0.000 0.444 46 K N -0.411 119.815 120.400 -0.291 0.000 2.067 46 K HA -0.073 4.252 4.320 0.008 0.000 0.203 46 K C 1.802 178.177 176.600 -0.374 0.000 1.048 46 K CA 1.717 57.825 56.287 -0.298 0.000 0.954 46 K CB 0.125 32.426 32.500 -0.332 0.000 0.737 46 K HN 0.273 nan 8.250 nan 0.000 0.444 47 T N -4.186 110.019 114.554 -0.582 0.000 3.015 47 T HA 0.225 4.580 4.350 0.008 0.000 0.250 47 T C 1.352 175.794 174.700 -0.429 0.000 1.057 47 T CA 0.676 62.420 62.100 -0.593 0.000 1.066 47 T CB 0.613 68.866 68.868 -1.025 0.000 0.959 47 T HN 0.377 nan 8.240 nan 0.000 0.488 48 G N 1.540 110.121 108.800 -0.364 0.000 2.205 48 G HA2 -0.217 3.748 3.960 0.008 0.000 0.261 48 G HA3 -0.217 3.748 3.960 0.008 0.000 0.261 48 G C -0.018 174.728 174.900 -0.256 0.000 0.980 48 G CA 0.092 45.037 45.100 -0.258 0.000 0.632 48 G HN 0.639 nan 8.290 nan 0.000 0.533 49 I N 2.321 122.694 120.570 -0.328 0.000 2.379 49 I HA 0.244 4.419 4.170 0.008 0.000 0.290 49 I C 0.649 176.690 176.117 -0.127 0.000 1.063 49 I CA -0.408 60.742 61.300 -0.250 0.000 1.351 49 I CB 1.010 38.857 38.000 -0.255 0.000 1.410 49 I HN 0.040 nan 8.210 nan 0.000 0.505 50 Q N 5.547 125.281 119.800 -0.111 0.000 2.337 50 Q HA 0.284 4.629 4.340 0.008 0.000 0.270 50 Q C -0.575 175.406 176.000 -0.033 0.000 1.002 50 Q CA -0.005 55.760 55.803 -0.063 0.000 0.888 50 Q CB 1.329 30.030 28.738 -0.061 0.000 1.222 50 Q HN 0.396 nan 8.270 nan 0.000 0.400 51 V N 2.027 121.938 119.914 -0.005 0.000 2.483 51 V HA 0.254 4.379 4.120 0.008 0.000 0.297 51 V C -0.148 175.949 176.094 0.005 0.000 1.027 51 V CA -0.776 61.521 62.300 -0.005 0.000 0.855 51 V CB 1.925 33.749 31.823 0.002 0.000 0.995 51 V HN 0.701 nan 8.190 nan 0.000 0.424 52 E N 3.439 123.646 120.200 0.010 0.000 2.134 52 E HA 0.516 4.871 4.350 0.008 0.000 0.278 52 E C -1.307 175.332 176.600 0.064 0.000 0.959 52 E CA -0.477 55.948 56.400 0.041 0.000 0.783 52 E CB 1.830 31.562 29.700 0.053 0.000 1.095 52 E HN 0.522 nan 8.360 nan 0.000 0.399 53 V N 5.611 125.574 119.914 0.080 0.000 2.348 53 V HA 0.182 4.307 4.120 0.008 0.000 0.270 53 V C -0.122 176.061 176.094 0.148 0.000 1.037 53 V CA -0.619 61.753 62.300 0.120 0.000 0.872 53 V CB 1.196 33.090 31.823 0.118 0.000 1.002 53 V HN 0.448 nan 8.190 nan 0.000 0.464 54 V N 8.382 128.429 119.914 0.222 0.000 2.370 54 V HA 0.374 4.499 4.120 0.008 0.000 0.283 54 V C -2.124 174.055 176.094 0.142 0.000 1.023 54 V CA -2.002 60.414 62.300 0.193 0.000 0.857 54 V CB 1.949 33.939 31.823 0.278 0.000 0.985 54 V HN 0.705 nan 8.190 nan 0.000 0.443 55 P HA 0.244 nan 4.420 nan 0.000 0.276 55 P C -0.876 176.375 177.300 -0.081 0.000 1.264 55 P CA 0.038 63.149 63.100 0.019 0.000 0.769 55 P CB 1.087 32.794 31.700 0.011 0.000 0.840 56 V N 3.431 123.282 119.914 -0.105 0.000 2.577 56 V HA 0.478 4.603 4.120 0.008 0.000 0.303 56 V C 0.486 176.512 176.094 -0.113 0.000 1.042 56 V CA -1.284 60.882 62.300 -0.223 0.000 0.872 56 V CB 1.706 33.206 31.823 -0.538 0.000 0.998 56 V HN 0.659 nan 8.190 nan 0.000 0.423 57 A N 3.623 126.371 122.820 -0.121 0.000 2.580 57 A HA 0.168 4.493 4.320 0.008 0.000 0.244 57 A C 1.220 178.758 177.584 -0.077 0.000 1.045 57 A CA 0.164 52.142 52.037 -0.098 0.000 0.761 57 A CB -0.059 18.874 19.000 -0.112 0.000 0.962 57 A HN 1.025 nan 8.150 nan 0.000 0.512 58 L N 2.729 123.909 121.223 -0.070 0.000 2.043 58 L HA -0.179 4.166 4.340 0.008 0.000 0.212 58 L C 1.981 178.835 176.870 -0.028 0.000 1.075 58 L CA 1.925 56.749 54.840 -0.027 0.000 0.752 58 L CB -0.245 41.754 42.059 -0.099 0.000 0.891 58 L HN 0.779 nan 8.230 nan 0.000 0.432 59 L N -1.250 119.898 121.223 -0.126 0.000 2.599 59 L HA -0.037 4.308 4.340 0.008 0.000 0.230 59 L C 1.788 178.557 176.870 -0.167 0.000 1.141 59 L CA 0.366 55.100 54.840 -0.177 0.000 0.877 59 L CB -0.371 41.545 42.059 -0.239 0.000 1.009 59 L HN 0.237 nan 8.230 nan 0.000 0.447 60 K N -0.820 119.503 120.400 -0.128 0.000 2.360 60 K HA 0.077 4.402 4.320 0.008 0.000 0.196 60 K C 1.669 178.201 176.600 -0.114 0.000 1.049 60 K CA -0.088 56.117 56.287 -0.137 0.000 1.049 60 K CB 0.460 32.873 32.500 -0.144 0.000 0.881 60 K HN 0.277 nan 8.250 nan 0.000 0.542 61 Q N 1.032 120.824 119.800 -0.013 0.000 2.124 61 Q HA -0.208 4.137 4.340 0.008 0.000 0.202 61 Q C 2.070 178.182 176.000 0.185 0.000 0.977 61 Q CA 1.478 57.404 55.803 0.205 0.000 0.850 61 Q CB 0.096 29.166 28.738 0.554 0.000 0.901 61 Q HN 0.325 nan 8.270 nan 0.000 0.429 62 Q N 0.517 120.131 119.800 -0.310 0.000 2.079 62 Q HA -0.213 4.132 4.340 0.008 0.000 0.200 62 Q C 1.830 177.668 176.000 -0.269 0.000 0.974 62 Q CA 1.276 56.643 55.803 -0.726 0.000 0.840 62 Q CB 0.138 28.073 28.738 -1.338 0.000 0.898 62 Q HN 0.128 nan 8.270 nan 0.000 0.430 63 E N 0.787 120.862 120.200 -0.209 0.000 2.106 63 E HA -0.182 4.173 4.350 0.008 0.000 0.192 63 E C 1.649 178.223 176.600 -0.043 0.000 0.984 63 E CA 1.323 57.651 56.400 -0.120 0.000 0.806 63 E CB -0.016 29.610 29.700 -0.124 0.000 0.750 63 E HN 0.245 nan 8.360 nan 0.000 0.458 64 K N -0.488 119.903 120.400 -0.015 0.000 2.097 64 K HA -0.103 4.222 4.320 0.008 0.000 0.205 64 K C 2.008 178.752 176.600 0.240 0.000 1.050 64 K CA 1.034 57.339 56.287 0.031 0.000 0.938 64 K CB -0.168 32.223 32.500 -0.182 0.000 0.718 64 K HN 0.185 nan 8.250 nan 0.000 0.442 65 L N 1.124 122.574 121.223 0.378 0.000 2.201 65 L HA -0.090 4.255 4.340 0.008 0.000 0.212 65 L C 1.857 178.801 176.870 0.123 0.000 1.105 65 L CA 1.711 56.755 54.840 0.341 0.000 0.775 65 L CB -0.508 41.797 42.059 0.410 0.000 0.913 65 L HN 0.142 nan 8.230 nan 0.000 0.440 66 T N -0.457 114.140 114.554 0.071 0.000 2.759 66 T HA -0.139 4.216 4.350 0.008 0.000 0.269 66 T C 1.755 176.444 174.700 -0.019 0.000 1.042 66 T CA 1.358 63.468 62.100 0.017 0.000 1.140 66 T CB -0.057 68.801 68.868 -0.017 0.000 0.864 66 T HN 0.121 nan 8.240 nan 0.000 0.455 67 L N 0.617 121.836 121.223 -0.006 0.000 2.189 67 L HA 0.124 4.470 4.340 0.008 0.000 0.199 67 L C 2.093 178.939 176.870 -0.040 0.000 1.074 67 L CA 1.544 56.370 54.840 -0.023 0.000 0.783 67 L CB -1.103 40.952 42.059 -0.008 0.000 0.955 67 L HN 0.138 nan 8.230 nan 0.000 0.460 68 D N -0.029 120.386 120.400 0.025 0.000 2.183 68 D HA -0.078 4.567 4.640 0.008 0.000 0.203 68 D C 2.069 178.306 176.300 -0.105 0.000 0.969 68 D CA 1.084 55.108 54.000 0.040 0.000 0.842 68 D CB -0.193 40.748 40.800 0.234 0.000 0.957 68 D HN 0.287 nan 8.370 nan 0.000 0.484 69 G N 1.994 110.652 108.800 -0.236 0.000 2.639 69 G HA2 -0.225 3.740 3.960 0.008 0.000 0.216 69 G HA3 -0.225 3.740 3.960 0.008 0.000 0.216 69 G C -0.673 173.554 174.900 -1.122 0.000 1.267 69 G CA 1.010 45.675 45.100 -0.726 0.000 0.801 69 G HN 0.279 nan 8.290 nan 0.000 0.592 70 P HA -0.068 nan 4.420 nan 0.000 0.218 70 P C 1.685 178.856 177.300 -0.215 0.000 1.146 70 P CA 1.891 64.697 63.100 -0.491 0.000 0.813 70 P CB -0.207 31.369 31.700 -0.208 0.000 0.778 71 A N -0.466 122.243 122.820 -0.184 0.000 2.209 71 A HA 0.319 4.644 4.320 0.008 0.000 0.212 71 A C 1.759 179.310 177.584 -0.056 0.000 1.158 71 A CA 0.952 52.940 52.037 -0.082 0.000 0.742 71 A CB -1.437 17.534 19.000 -0.048 0.000 0.790 71 A HN 0.275 nan 8.150 nan 0.000 0.472 72 G N -0.878 107.870 108.800 -0.087 0.000 2.160 72 G HA2 -0.245 3.720 3.960 0.008 0.000 0.251 72 G HA3 -0.245 3.720 3.960 0.008 0.000 0.251 72 G C 0.653 175.551 174.900 -0.004 0.000 1.008 72 G CA 0.672 45.753 45.100 -0.032 0.000 0.724 72 G HN 0.404 nan 8.290 nan 0.000 0.514 73 K N 0.060 120.459 120.400 -0.001 0.000 2.402 73 K HA 0.250 4.575 4.320 0.008 0.000 0.204 73 K C 1.492 178.147 176.600 0.091 0.000 1.056 73 K CA 0.427 56.748 56.287 0.057 0.000 1.069 73 K CB 0.891 33.437 32.500 0.077 0.000 0.888 73 K HN 0.474 nan 8.250 nan 0.000 0.546 74 G N 1.095 109.898 108.800 0.006 0.000 2.606 74 G HA2 0.405 4.370 3.960 0.008 0.000 0.252 74 G HA3 0.405 4.370 3.960 0.008 0.000 0.252 74 G C -0.138 174.575 174.900 -0.311 0.000 1.206 74 G CA -0.273 44.755 45.100 -0.121 0.000 0.861 74 G HN 0.187 nan 8.290 nan 0.000 0.561 75 A N 0.179 122.459 122.820 -0.899 0.000 2.346 75 A HA 0.331 4.656 4.320 0.008 0.000 0.252 75 A C 1.157 178.496 177.584 -0.409 0.000 1.089 75 A CA -0.072 51.491 52.037 -0.791 0.000 0.797 75 A CB 0.361 18.465 19.000 -1.494 0.000 1.047 75 A HN 0.680 nan 8.150 nan 0.000 0.494 76 D N -0.166 120.091 120.400 -0.238 0.000 2.120 76 D HA 0.036 4.681 4.640 0.008 0.000 0.202 76 D C 0.198 176.413 176.300 -0.142 0.000 0.972 76 D CA 1.175 55.103 54.000 -0.120 0.000 0.837 76 D CB 0.035 40.811 40.800 -0.040 0.000 0.989 76 D HN 0.402 nan 8.370 nan 0.000 0.469 77 L N 1.547 122.649 121.223 -0.202 0.000 2.322 77 L HA 0.376 4.721 4.340 0.008 0.000 0.281 77 L C -0.035 176.815 176.870 -0.034 0.000 1.014 77 L CA -0.796 53.950 54.840 -0.157 0.000 0.815 77 L CB 2.205 44.040 42.059 -0.374 0.000 1.247 77 L HN -0.174 nan 8.230 nan 0.000 0.421 78 V N -0.361 119.618 119.914 0.109 0.000 3.155 78 V HA 0.867 4.992 4.120 0.008 0.000 0.313 78 V C -0.577 175.582 176.094 0.108 0.000 1.162 78 V CA -0.573 61.862 62.300 0.226 0.000 1.048 78 V CB 2.120 34.083 31.823 0.233 0.000 1.092 78 V HN 0.766 nan 8.190 nan 0.000 0.447 79 T N 1.478 116.048 114.554 0.028 0.000 3.041 79 T HA 0.729 5.084 4.350 0.008 0.000 0.321 79 T C -1.936 172.776 174.700 0.020 0.000 1.184 79 T CA -0.049 61.850 62.100 -0.334 0.000 1.050 79 T CB 1.189 69.684 68.868 -0.622 0.000 1.159 79 T HN 1.761 nan 8.240 nan 0.000 0.469 80 W N 2.445 123.818 121.300 0.122 0.000 3.059 80 W HA 0.692 5.356 4.660 0.007 0.000 0.329 80 W C -3.370 173.195 176.519 0.077 0.000 1.246 80 W CA -2.170 55.209 57.345 0.055 0.000 1.190 80 W CB -0.637 28.858 29.460 0.058 0.000 1.423 80 W HN 0.524 nan 8.180 nan 0.000 0.571 81 P HA 0.035 nan 4.420 nan 0.000 0.266 81 P C 0.691 178.126 177.300 0.225 0.000 1.195 81 P CA 0.590 63.764 63.100 0.123 0.000 0.768 81 P CB 0.353 31.992 31.700 -0.102 0.000 0.838 82 H N 1.403 120.560 119.070 0.145 0.000 2.518 82 H HA -0.150 4.411 4.556 0.008 0.000 0.289 82 H C 1.152 176.535 175.328 0.093 0.000 1.051 82 H CA 1.335 57.464 56.048 0.135 0.000 1.280 82 H CB -0.589 29.231 29.762 0.096 0.000 1.380 82 H HN 0.373 nan 8.280 nan 0.000 0.566 83 D N 1.648 121.754 120.400 -0.490 0.000 2.182 83 D HA -0.212 4.433 4.640 0.008 0.000 0.201 83 D C 1.462 177.715 176.300 -0.078 0.000 0.986 83 D CA 0.890 54.695 54.000 -0.324 0.000 0.847 83 D CB -0.330 40.371 40.800 -0.165 0.000 0.942 83 D HN 0.502 nan 8.370 nan 0.000 0.467 84 R N -0.229 120.258 120.500 -0.023 0.000 2.426 84 R HA 0.184 4.529 4.340 0.008 0.000 0.263 84 R C 1.694 177.965 176.300 -0.049 0.000 0.961 84 R CA -0.375 55.691 56.100 -0.055 0.000 1.086 84 R CB 0.125 30.328 30.300 -0.161 0.000 1.186 84 R HN 0.103 nan 8.270 nan 0.000 0.537 85 L N 0.156 121.343 121.223 -0.060 0.000 1.994 85 L HA 0.004 4.349 4.340 0.008 0.000 0.208 85 L C 2.058 178.671 176.870 -0.429 0.000 1.071 85 L CA 2.129 56.847 54.840 -0.203 0.000 0.745 85 L CB -0.900 41.039 42.059 -0.199 0.000 0.892 85 L HN 0.177 nan 8.230 nan 0.000 0.431 86 G N -1.136 107.327 108.800 -0.562 0.000 2.440 86 G HA2 -0.333 3.632 3.960 0.008 0.000 0.218 86 G HA3 -0.333 3.632 3.960 0.008 0.000 0.218 86 G C 1.483 176.013 174.900 -0.618 0.000 1.154 86 G CA 0.815 45.282 45.100 -1.055 0.000 0.767 86 G HN 0.568 nan 8.290 nan 0.000 0.552 87 E N 0.578 120.569 120.200 -0.348 0.000 2.038 87 E HA -0.149 4.206 4.350 0.008 0.000 0.195 87 E C 2.819 179.301 176.600 -0.197 0.000 1.000 87 E CA 1.197 57.465 56.400 -0.220 0.000 0.803 87 E CB -0.292 29.313 29.700 -0.158 0.000 0.750 87 E HN 0.326 nan 8.360 nan 0.000 0.448 88 A N 0.592 123.300 122.820 -0.187 0.000 1.908 88 A HA -0.162 4.163 4.320 0.008 0.000 0.218 88 A C 2.446 179.946 177.584 -0.139 0.000 1.181 88 A CA 1.704 53.683 52.037 -0.097 0.000 0.627 88 A CB -0.771 18.280 19.000 0.086 0.000 0.818 88 A HN 0.243 nan 8.150 nan 0.000 0.445 89 V N -0.284 119.451 119.914 -0.298 0.000 2.295 89 V HA -0.231 3.894 4.120 0.008 0.000 0.246 89 V C 2.740 178.759 176.094 -0.126 0.000 1.049 89 V CA 2.480 64.602 62.300 -0.297 0.000 1.024 89 V CB -1.347 30.174 31.823 -0.502 0.000 0.648 89 V HN 0.615 nan 8.190 nan 0.000 0.447 90 T N -0.336 114.132 114.554 -0.143 0.000 2.759 90 T HA -0.216 4.139 4.350 0.008 0.000 0.269 90 T C 1.747 176.426 174.700 -0.035 0.000 1.042 90 T CA 1.405 63.470 62.100 -0.058 0.000 1.140 90 T CB -0.246 68.578 68.868 -0.073 0.000 0.864 90 T HN 0.474 nan 8.240 nan 0.000 0.455 91 K N 0.349 120.721 120.400 -0.047 0.000 2.486 91 K HA 0.223 4.548 4.320 0.008 0.000 0.194 91 K C 1.349 177.963 176.600 0.023 0.000 1.033 91 K CA 0.364 56.645 56.287 -0.010 0.000 1.004 91 K CB 0.144 32.635 32.500 -0.016 0.000 0.798 91 K HN 0.404 nan 8.250 nan 0.000 0.495 92 G N 1.485 110.287 108.800 0.003 0.000 2.160 92 G HA2 -0.257 3.708 3.960 0.008 0.000 0.244 92 G HA3 -0.257 3.708 3.960 0.008 0.000 0.244 92 G C 0.519 175.413 174.900 -0.011 0.000 1.022 92 G CA -0.018 45.075 45.100 -0.011 0.000 0.741 92 G HN 0.253 nan 8.290 nan 0.000 0.508 93 L N -1.376 119.886 121.223 0.066 0.000 2.209 93 L HA 0.362 4.707 4.340 0.008 0.000 0.207 93 L C 1.401 178.351 176.870 0.133 0.000 1.094 93 L CA 0.858 55.810 54.840 0.187 0.000 0.790 93 L CB -0.049 42.154 42.059 0.240 0.000 0.932 93 L HN 0.293 nan 8.230 nan 0.000 0.447 94 L N -0.655 120.613 121.223 0.076 0.000 2.354 94 L HA 0.400 4.745 4.340 0.008 0.000 0.264 94 L C -0.744 176.247 176.870 0.202 0.000 1.008 94 L CA -0.714 54.199 54.840 0.122 0.000 0.819 94 L CB 1.948 44.067 42.059 0.100 0.000 1.339 94 L HN 0.027 nan 8.230 nan 0.000 0.420 95 Q N 1.025 120.946 119.800 0.202 0.000 2.345 95 Q HA 0.622 4.967 4.340 0.008 0.000 0.268 95 Q C -2.771 173.247 176.000 0.030 0.000 1.054 95 Q CA -2.207 53.687 55.803 0.151 0.000 0.835 95 Q CB 2.014 30.759 28.738 0.013 0.000 1.339 95 Q HN 0.226 nan 8.270 nan 0.000 0.447 96 P HA 0.045 nan 4.420 nan 0.000 0.269 96 P C -0.577 176.581 177.300 -0.237 0.000 1.215 96 P CA -0.046 62.705 63.100 -0.582 0.000 0.780 96 P CB 0.404 31.774 31.700 -0.549 0.000 0.898 97 I N -0.887 119.567 120.570 -0.193 0.000 2.437 97 I HA 0.414 4.589 4.170 0.008 0.000 0.298 97 I C -0.187 175.887 176.117 -0.072 0.000 0.984 97 I CA -0.769 60.479 61.300 -0.086 0.000 1.214 97 I CB 1.124 39.102 38.000 -0.038 0.000 1.365 97 I HN 0.023 nan 8.210 nan 0.000 0.469 98 Q N 6.233 126.007 119.800 -0.043 0.000 2.431 98 Q HA 0.582 4.927 4.340 0.008 0.000 0.249 98 Q C -0.556 175.442 176.000 -0.003 0.000 1.025 98 Q CA -0.587 55.199 55.803 -0.029 0.000 0.835 98 Q CB 1.601 30.321 28.738 -0.029 0.000 1.207 98 Q HN 0.742 nan 8.270 nan 0.000 0.490 99 V N -1.550 118.367 119.914 0.005 0.000 3.007 99 V HA 0.587 4.712 4.120 0.008 0.000 0.311 99 V C -0.345 175.766 176.094 0.028 0.000 1.120 99 V CA -1.193 61.125 62.300 0.029 0.000 0.980 99 V CB 2.330 34.183 31.823 0.051 0.000 1.033 99 V HN 0.324 nan 8.190 nan 0.000 0.429 100 D N 1.926 122.347 120.400 0.035 0.000 2.368 100 D HA 0.124 4.769 4.640 0.008 0.000 0.240 100 D C 1.038 177.356 176.300 0.031 0.000 1.169 100 D CA 0.426 54.443 54.000 0.028 0.000 0.906 100 D CB 0.704 41.520 40.800 0.027 0.000 1.187 100 D HN 0.862 nan 8.370 nan 0.000 0.435 101 N N 0.189 118.901 118.700 0.021 0.000 2.205 101 N HA -0.200 4.545 4.740 0.008 0.000 0.186 101 N C 1.492 177.013 175.510 0.018 0.000 1.015 101 N CA 1.759 54.820 53.050 0.020 0.000 0.862 101 N CB 0.072 38.566 38.487 0.011 0.000 0.986 101 N HN 0.317 nan 8.380 nan 0.000 0.429 102 S N -1.140 114.566 115.700 0.010 0.000 2.382 102 S HA -0.079 4.396 4.470 0.008 0.000 0.228 102 S C 2.028 176.621 174.600 -0.013 0.000 1.027 102 S CA 1.218 59.414 58.200 -0.006 0.000 0.991 102 S CB -0.703 62.493 63.200 -0.007 0.000 0.823 102 S HN 0.103 nan 8.310 nan 0.000 0.469 103 V N 2.257 122.184 119.914 0.023 0.000 2.379 103 V HA -0.093 4.032 4.120 0.008 0.000 0.245 103 V C 2.661 178.832 176.094 0.129 0.000 1.044 103 V CA 1.815 64.149 62.300 0.057 0.000 1.036 103 V CB -0.661 31.227 31.823 0.108 0.000 0.664 103 V HN 0.483 nan 8.190 nan 0.000 0.453 104 K N 0.397 120.879 120.400 0.137 0.000 2.057 104 K HA -0.155 4.170 4.320 0.008 0.000 0.207 104 K C 1.846 178.529 176.600 0.137 0.000 1.049 104 K CA 1.746 58.146 56.287 0.189 0.000 0.931 104 K CB -0.362 32.201 32.500 0.105 0.000 0.714 104 K HN 0.526 nan 8.250 nan 0.000 0.440 105 N N 0.909 119.630 118.700 0.036 0.000 2.519 105 N HA -0.142 4.603 4.740 0.008 0.000 0.186 105 N C 1.386 176.849 175.510 -0.079 0.000 1.062 105 N CA 0.407 53.452 53.050 -0.008 0.000 0.910 105 N CB 0.132 38.607 38.487 -0.020 0.000 0.958 105 N HN 0.275 nan 8.380 nan 0.000 0.445 106 Q N -0.604 119.076 119.800 -0.200 0.000 2.432 106 Q HA 0.054 4.399 4.340 0.008 0.000 0.205 106 Q C -0.484 175.201 176.000 -0.525 0.000 0.945 106 Q CA 0.483 56.032 55.803 -0.423 0.000 0.924 106 Q CB 0.372 28.731 28.738 -0.633 0.000 1.016 106 Q HN 0.220 nan 8.270 nan 0.000 0.503 107 F N 0.339 120.272 119.950 -0.028 0.000 2.470 107 F HA 0.201 4.733 4.527 0.008 0.000 0.329 107 F C 0.309 176.093 175.800 -0.027 0.000 1.072 107 F CA -1.877 56.104 58.000 -0.032 0.000 0.989 107 F CB 0.811 39.793 39.000 -0.030 0.000 1.193 107 F HN -0.178 nan 8.300 nan 0.000 0.481 108 D N 1.009 121.513 120.400 0.173 0.000 2.443 108 D HA -0.005 4.640 4.640 0.008 0.000 0.239 108 D C 0.551 176.894 176.300 0.072 0.000 1.136 108 D CA 0.319 54.368 54.000 0.082 0.000 0.879 108 D CB 0.779 41.611 40.800 0.054 0.000 1.195 108 D HN 0.530 nan 8.370 nan 0.000 0.443 109 D N 1.902 122.330 120.400 0.046 0.000 2.092 109 D HA -0.170 4.475 4.640 0.008 0.000 0.193 109 D C 1.994 178.309 176.300 0.025 0.000 0.994 109 D CA 1.130 55.152 54.000 0.037 0.000 0.828 109 D CB -0.058 40.758 40.800 0.027 0.000 0.963 109 D HN 0.248 nan 8.370 nan 0.000 0.450 110 V N 0.807 120.731 119.914 0.017 0.000 2.392 110 V HA -0.258 3.867 4.120 0.008 0.000 0.249 110 V C 2.326 178.401 176.094 -0.032 0.000 1.059 110 V CA 1.866 64.166 62.300 -0.000 0.000 1.051 110 V CB -0.790 31.036 31.823 0.006 0.000 0.658 110 V HN 0.265 nan 8.190 nan 0.000 0.455 111 A N -0.870 121.934 122.820 -0.025 0.000 1.929 111 A HA -0.135 4.190 4.320 0.008 0.000 0.216 111 A C 2.200 179.751 177.584 -0.056 0.000 1.176 111 A CA 1.606 53.606 52.037 -0.060 0.000 0.628 111 A CB -0.374 18.603 19.000 -0.039 0.000 0.816 111 A HN 0.391 nan 8.150 nan 0.000 0.444 112 M N 0.388 119.981 119.600 -0.010 0.000 2.175 112 M HA -0.088 4.397 4.480 0.008 0.000 0.264 112 M C 2.135 178.446 176.300 0.019 0.000 1.063 112 M CA 1.782 57.084 55.300 0.004 0.000 1.119 112 M CB -0.908 31.720 32.600 0.046 0.000 1.377 112 M HN 0.605 nan 8.290 nan 0.000 0.415 113 K N 0.864 121.275 120.400 0.018 0.000 2.228 113 K HA 0.042 4.367 4.320 0.008 0.000 0.202 113 K C 1.645 178.269 176.600 0.041 0.000 1.051 113 K CA 1.482 57.790 56.287 0.035 0.000 0.960 113 K CB -0.524 31.995 32.500 0.032 0.000 0.743 113 K HN 0.168 nan 8.250 nan 0.000 0.458 114 A N 1.616 124.422 122.820 -0.023 0.000 2.015 114 A HA 0.033 4.358 4.320 0.008 0.000 0.219 114 A C 2.048 179.665 177.584 0.055 0.000 1.163 114 A CA 0.839 52.826 52.037 -0.084 0.000 0.646 114 A CB -0.320 18.415 19.000 -0.441 0.000 0.806 114 A HN 0.321 nan 8.150 nan 0.000 0.448 115 L N -0.155 121.113 121.223 0.075 0.000 2.700 115 L HA 0.135 4.480 4.340 0.008 0.000 0.234 115 L C -0.221 176.778 176.870 0.215 0.000 1.156 115 L CA -0.109 54.830 54.840 0.165 0.000 0.946 115 L CB 0.025 42.168 42.059 0.140 0.000 1.216 115 L HN 0.082 nan 8.230 nan 0.000 0.493 116 T N -0.291 114.377 114.554 0.190 0.000 2.779 116 T HA 0.424 4.779 4.350 0.008 0.000 0.280 116 T C -1.405 173.469 174.700 0.290 0.000 0.987 116 T CA -0.215 62.019 62.100 0.224 0.000 0.966 116 T CB 1.550 70.489 68.868 0.119 0.000 0.933 116 T HN -0.017 nan 8.240 nan 0.000 0.442 117 Y N 0.947 121.383 120.300 0.227 0.000 2.421 117 Y HA 0.492 5.047 4.550 0.009 0.000 0.339 117 Y C 0.675 176.679 175.900 0.174 0.000 0.996 117 Y CA -0.332 57.847 58.100 0.132 0.000 1.046 117 Y CB 1.491 39.943 38.460 -0.014 0.000 1.226 117 Y HN 0.860 nan 8.280 nan 0.000 0.445 118 G N 3.057 111.467 108.800 -0.650 0.000 2.249 118 G HA2 -0.004 3.961 3.960 0.008 0.000 0.273 118 G HA3 -0.004 3.961 3.960 0.008 0.000 0.273 118 G C 1.024 175.839 174.900 -0.141 0.000 1.036 118 G CA 0.945 45.778 45.100 -0.445 0.000 0.824 118 G HN 2.176 nan 8.290 nan 0.000 0.504 119 G N -1.790 106.960 108.800 -0.082 0.000 2.162 119 G HA2 -0.255 3.710 3.960 0.008 0.000 0.260 119 G HA3 -0.255 3.710 3.960 0.008 0.000 0.260 119 G C 0.220 175.114 174.900 -0.011 0.000 0.976 119 G CA 1.206 46.286 45.100 -0.034 0.000 0.655 119 G HN 1.088 nan 8.290 nan 0.000 0.533 120 K N -0.547 119.871 120.400 0.031 0.000 2.259 120 K HA 0.679 5.004 4.320 0.008 0.000 0.252 120 K C -0.595 175.976 176.600 -0.048 0.000 0.936 120 K CA -1.090 55.163 56.287 -0.055 0.000 0.810 120 K CB 2.353 34.772 32.500 -0.135 0.000 1.143 120 K HN 0.092 nan 8.250 nan 0.000 0.427 121 L N 2.923 124.058 121.223 -0.147 0.000 2.290 121 L HA 0.224 4.569 4.340 0.008 0.000 0.284 121 L C -0.609 176.137 176.870 -0.207 0.000 1.078 121 L CA 0.415 55.215 54.840 -0.067 0.000 0.815 121 L CB 0.306 42.343 42.059 -0.036 0.000 1.162 121 L HN 0.668 nan 8.230 nan 0.000 0.435 122 Y N 3.690 124.029 120.300 0.065 0.000 2.445 122 Y HA 0.573 5.128 4.550 0.008 0.000 0.247 122 Y C 1.104 177.108 175.900 0.173 0.000 1.129 122 Y CA 0.227 58.377 58.100 0.082 0.000 1.251 122 Y CB 0.955 39.433 38.460 0.029 0.000 1.176 122 Y HN 0.699 nan 8.280 nan 0.000 0.522 123 G N -0.511 108.426 108.800 0.229 0.000 2.550 123 G HA2 0.518 4.483 3.960 0.008 0.000 0.293 123 G HA3 0.518 4.483 3.960 0.008 0.000 0.293 123 G C -2.157 172.704 174.900 -0.066 0.000 1.402 123 G CA -0.894 44.277 45.100 0.118 0.000 0.784 123 G HN -0.091 nan 8.290 nan 0.000 0.482 124 L N 1.533 122.649 121.223 -0.179 0.000 2.346 124 L HA 0.521 4.866 4.340 0.008 0.000 0.276 124 L C -2.175 174.401 176.870 -0.491 0.000 1.006 124 L CA -2.063 52.516 54.840 -0.436 0.000 0.817 124 L CB 2.801 44.631 42.059 -0.382 0.000 1.272 124 L HN 0.306 nan 8.230 nan 0.000 0.421 125 P HA 0.227 nan 4.420 nan 0.000 0.278 125 P C -0.733 176.365 177.300 -0.336 0.000 1.238 125 P CA -0.426 62.417 63.100 -0.427 0.000 0.794 125 P CB 1.616 33.123 31.700 -0.322 0.000 0.955 126 K N 0.983 121.200 120.400 -0.305 0.000 2.329 126 K HA 0.438 4.763 4.320 0.008 0.000 0.198 126 K C 0.490 177.006 176.600 -0.140 0.000 1.085 126 K CA 0.249 56.392 56.287 -0.240 0.000 0.961 126 K CB 0.697 32.947 32.500 -0.416 0.000 0.971 126 K HN 0.537 nan 8.250 nan 0.000 0.502 127 A N 1.430 124.166 122.820 -0.140 0.000 2.547 127 A HA 0.592 4.917 4.320 0.008 0.000 0.297 127 A C -1.769 175.789 177.584 -0.044 0.000 1.056 127 A CA -0.644 51.352 52.037 -0.069 0.000 0.688 127 A CB 1.296 20.258 19.000 -0.063 0.000 1.282 127 A HN 0.195 nan 8.150 nan 0.000 0.400 128 I N 1.655 122.218 120.570 -0.012 0.000 2.433 128 I HA 0.655 4.830 4.170 0.008 0.000 0.292 128 I C -0.533 175.604 176.117 0.034 0.000 1.001 128 I CA -0.207 61.100 61.300 0.011 0.000 1.119 128 I CB 1.418 39.422 38.000 0.006 0.000 1.289 128 I HN 0.843 nan 8.210 nan 0.000 0.438 129 E N 5.061 125.312 120.200 0.085 0.000 2.331 129 E HA 0.576 4.931 4.350 0.008 0.000 0.275 129 E C -1.677 175.027 176.600 0.174 0.000 0.895 129 E CA -0.909 55.557 56.400 0.110 0.000 0.753 129 E CB 2.067 31.901 29.700 0.224 0.000 1.216 129 E HN 0.386 nan 8.360 nan 0.000 0.434 130 S N 1.625 117.400 115.700 0.125 0.000 2.546 130 S HA 0.444 4.919 4.470 0.008 0.000 0.274 130 S C -0.371 174.305 174.600 0.126 0.000 1.121 130 S CA -0.547 57.747 58.200 0.157 0.000 0.887 130 S CB 1.512 64.795 63.200 0.138 0.000 1.094 130 S HN 0.807 nan 8.310 nan 0.000 0.474 131 V N 2.284 122.250 119.914 0.086 0.000 2.963 131 V HA 0.870 4.995 4.120 0.008 0.000 0.306 131 V C 0.507 176.643 176.094 0.071 0.000 1.077 131 V CA 0.399 62.736 62.300 0.061 0.000 1.124 131 V CB 0.142 31.980 31.823 0.024 0.000 0.987 131 V HN 1.290 nan 8.190 nan 0.000 0.487 132 A N 3.366 126.223 122.820 0.060 0.000 2.535 132 A HA 0.803 5.129 4.320 0.008 0.000 0.296 132 A C -0.951 176.539 177.584 -0.156 0.000 1.248 132 A CA -0.872 51.093 52.037 -0.120 0.000 0.686 132 A CB 1.185 19.999 19.000 -0.310 0.000 1.315 132 A HN 1.329 nan 8.150 nan 0.000 0.460 133 L N 0.994 122.107 121.223 -0.182 0.000 2.283 133 L HA 0.563 4.908 4.340 0.008 0.000 0.287 133 L C -1.310 175.524 176.870 -0.060 0.000 1.073 133 L CA 0.010 54.787 54.840 -0.106 0.000 0.822 133 L CB -0.059 41.952 42.059 -0.078 0.000 1.186 133 L HN 0.412 nan 8.230 nan 0.000 0.436 134 I N 6.878 127.403 120.570 -0.076 0.000 2.312 134 I HA 0.322 4.497 4.170 0.008 0.000 0.290 134 I C -0.476 175.631 176.117 -0.017 0.000 1.008 134 I CA -0.159 61.077 61.300 -0.107 0.000 1.226 134 I CB 0.680 38.605 38.000 -0.125 0.000 1.371 134 I HN 0.500 nan 8.210 nan 0.000 0.468 135 Y N 3.772 124.085 120.300 0.023 0.000 2.562 135 Y HA 0.610 5.166 4.550 0.009 0.000 0.343 135 Y C -0.227 175.852 175.900 0.298 0.000 1.025 135 Y CA -1.385 56.816 58.100 0.167 0.000 1.082 135 Y CB 0.910 39.398 38.460 0.046 0.000 1.264 135 Y HN 0.466 nan 8.280 nan 0.000 0.478 136 N N 2.542 121.481 118.700 0.398 0.000 2.415 136 N HA 0.107 4.852 4.740 0.008 0.000 0.246 136 N C 0.218 175.822 175.510 0.156 0.000 1.078 136 N CA -0.044 53.068 53.050 0.104 0.000 0.942 136 N CB 0.926 39.332 38.487 -0.135 0.000 1.140 136 N HN 0.860 nan 8.380 nan 0.000 0.501 137 K N 2.405 122.853 120.400 0.079 0.000 2.281 137 K HA -0.107 4.218 4.320 0.008 0.000 0.203 137 K C 1.045 177.704 176.600 0.099 0.000 1.046 137 K CA 1.093 57.462 56.287 0.137 0.000 0.938 137 K CB 0.318 32.846 32.500 0.047 0.000 0.737 137 K HN 0.523 nan 8.250 nan 0.000 0.458 138 K N 0.062 120.490 120.400 0.046 0.000 2.296 138 K HA 0.003 4.328 4.320 0.008 0.000 0.200 138 K C 1.692 178.318 176.600 0.042 0.000 1.048 138 K CA 0.467 56.771 56.287 0.028 0.000 0.966 138 K CB 0.239 32.735 32.500 -0.006 0.000 0.754 138 K HN 0.047 nan 8.250 nan 0.000 0.466 139 L N -0.307 120.955 121.223 0.065 0.000 2.425 139 L HA 0.244 4.589 4.340 0.008 0.000 0.215 139 L C 0.615 177.563 176.870 0.129 0.000 1.065 139 L CA 0.656 55.550 54.840 0.090 0.000 0.842 139 L CB 0.168 42.283 42.059 0.092 0.000 1.033 139 L HN 0.175 nan 8.230 nan 0.000 0.474 140 M N -0.811 118.873 119.600 0.139 0.000 2.053 140 M HA 0.361 4.846 4.480 0.008 0.000 0.297 140 M C 0.860 177.194 176.300 0.057 0.000 0.921 140 M CA -0.341 54.996 55.300 0.063 0.000 0.918 140 M CB 1.574 34.166 32.600 -0.014 0.000 1.499 140 M HN 0.022 nan 8.290 nan 0.000 0.422 141 G N 3.123 111.931 108.800 0.014 0.000 2.394 141 G HA2 -0.078 3.887 3.960 0.008 0.000 0.214 141 G HA3 -0.078 3.887 3.960 0.008 0.000 0.214 141 G C 0.246 175.122 174.900 -0.041 0.000 1.176 141 G CA 0.461 45.573 45.100 0.021 0.000 0.786 141 G HN 0.617 nan 8.290 nan 0.000 0.533 142 Q N 0.015 119.737 119.800 -0.130 0.000 2.347 142 Q HA 0.477 4.822 4.340 0.008 0.000 0.271 142 Q C -0.260 175.540 176.000 -0.333 0.000 1.064 142 Q CA -0.893 54.793 55.803 -0.195 0.000 0.800 142 Q CB 2.590 31.259 28.738 -0.114 0.000 1.304 142 Q HN 0.197 nan 8.270 nan 0.000 0.438 143 V N 1.778 121.432 119.914 -0.433 0.000 2.843 143 V HA 0.450 4.575 4.120 0.008 0.000 0.305 143 V C -2.122 173.802 176.094 -0.283 0.000 1.065 143 V CA -1.316 60.710 62.300 -0.456 0.000 1.116 143 V CB -0.189 31.369 31.823 -0.442 0.000 0.968 143 V HN 0.752 nan 8.190 nan 0.000 0.487 144 P HA 0.202 nan 4.420 nan 0.000 0.268 144 P C 0.510 177.750 177.300 -0.100 0.000 1.205 144 P CA 0.270 63.273 63.100 -0.162 0.000 0.771 144 P CB 1.277 32.891 31.700 -0.144 0.000 0.858 145 A N 3.157 125.940 122.820 -0.061 0.000 2.014 145 A HA 0.044 4.369 4.320 0.008 0.000 0.218 145 A C 1.123 178.704 177.584 -0.004 0.000 1.163 145 A CA 1.642 53.657 52.037 -0.036 0.000 0.652 145 A CB -0.744 18.241 19.000 -0.025 0.000 0.808 145 A HN 0.706 nan 8.150 nan 0.000 0.449 146 T N -6.671 107.894 114.554 0.018 0.000 2.887 146 T HA 0.436 4.791 4.350 0.008 0.000 0.292 146 T C 0.441 175.215 174.700 0.124 0.000 1.087 146 T CA -0.088 62.055 62.100 0.072 0.000 1.009 146 T CB 0.830 69.741 68.868 0.072 0.000 1.203 146 T HN 0.228 nan 8.240 nan 0.000 0.518 147 Y N 0.942 121.290 120.300 0.080 0.000 2.224 147 Y HA -0.112 4.442 4.550 0.008 0.000 0.289 147 Y C 1.909 177.909 175.900 0.168 0.000 1.146 147 Y CA 1.952 60.146 58.100 0.156 0.000 1.182 147 Y CB -0.306 38.274 38.460 0.199 0.000 0.983 147 Y HN 0.698 nan 8.280 nan 0.000 0.524 148 D N 0.392 120.839 120.400 0.079 0.000 2.104 148 D HA -0.201 4.444 4.640 0.008 0.000 0.194 148 D C 1.869 178.162 176.300 -0.011 0.000 0.994 148 D CA 1.799 55.796 54.000 -0.004 0.000 0.830 148 D CB -0.251 40.578 40.800 0.049 0.000 0.959 148 D HN 0.600 nan 8.370 nan 0.000 0.452 149 E N 0.215 120.422 120.200 0.012 0.000 2.110 149 E HA -0.154 4.201 4.350 0.008 0.000 0.193 149 E C 2.203 178.819 176.600 0.026 0.000 0.988 149 E CA 0.261 56.672 56.400 0.018 0.000 0.804 149 E CB -0.081 29.623 29.700 0.007 0.000 0.745 149 E HN 0.103 nan 8.360 nan 0.000 0.458 150 L N 0.237 121.461 121.223 0.000 0.000 2.046 150 L HA -0.156 4.190 4.340 0.008 0.000 0.208 150 L C 2.098 178.991 176.870 0.039 0.000 1.077 150 L CA 1.516 56.380 54.840 0.039 0.000 0.747 150 L CB -0.380 41.726 42.059 0.078 0.000 0.896 150 L HN 0.047 nan 8.230 nan 0.000 0.432 151 F N -0.570 119.182 119.950 -0.329 0.000 2.186 151 F HA -0.175 4.357 4.527 0.009 0.000 0.299 151 F C 2.416 178.028 175.800 -0.312 0.000 1.090 151 F CA 1.297 58.986 58.000 -0.519 0.000 1.307 151 F CB -0.096 38.453 39.000 -0.752 0.000 1.019 151 F HN 0.157 nan 8.300 nan 0.000 0.489 152 Q N -0.867 118.899 119.800 -0.056 0.000 2.167 152 Q HA -0.226 4.119 4.340 0.008 0.000 0.202 152 Q C 2.024 177.981 176.000 -0.072 0.000 0.970 152 Q CA 1.474 57.238 55.803 -0.064 0.000 0.855 152 Q CB -1.041 27.703 28.738 0.009 0.000 0.911 152 Q HN 0.609 nan 8.270 nan 0.000 0.438 153 Y N 1.118 121.346 120.300 -0.121 0.000 2.181 153 Y HA -0.209 4.346 4.550 0.008 0.000 0.288 153 Y C 2.203 178.046 175.900 -0.097 0.000 1.146 153 Y CA 1.626 59.678 58.100 -0.081 0.000 1.164 153 Y CB -0.212 38.227 38.460 -0.036 0.000 0.982 153 Y HN 0.107 nan 8.280 nan 0.000 0.515 154 A N 0.049 122.845 122.820 -0.041 0.000 1.898 154 A HA -0.203 4.122 4.320 0.008 0.000 0.216 154 A C 2.221 179.633 177.584 -0.288 0.000 1.181 154 A CA 1.848 53.813 52.037 -0.120 0.000 0.620 154 A CB -0.711 18.207 19.000 -0.136 0.000 0.819 154 A HN 0.480 nan 8.150 nan 0.000 0.442 155 K N -0.411 119.724 120.400 -0.443 0.000 2.147 155 K HA -0.047 4.278 4.320 0.008 0.000 0.205 155 K C 1.873 178.331 176.600 -0.235 0.000 1.049 155 K CA 1.252 57.315 56.287 -0.373 0.000 0.936 155 K CB -0.242 32.032 32.500 -0.377 0.000 0.722 155 K HN 0.397 nan 8.250 nan 0.000 0.446 156 A N 0.093 122.774 122.820 -0.233 0.000 2.030 156 A HA 0.023 4.348 4.320 0.008 0.000 0.215 156 A C 1.177 178.619 177.584 -0.237 0.000 1.164 156 A CA 1.108 53.021 52.037 -0.207 0.000 0.697 156 A CB -0.108 18.775 19.000 -0.195 0.000 0.827 156 A HN 0.453 nan 8.150 nan 0.000 0.457 157 N N -0.567 117.957 118.700 -0.294 0.000 2.210 157 N HA 0.056 4.801 4.740 0.008 0.000 0.203 157 N C -0.673 174.714 175.510 -0.205 0.000 1.175 157 N CA -0.271 52.606 53.050 -0.288 0.000 0.894 157 N CB 0.266 38.468 38.487 -0.474 0.000 1.041 157 N HN 0.150 nan 8.380 nan 0.000 0.506 158 N N 1.714 120.316 118.700 -0.164 0.000 2.421 158 N HA 0.107 4.852 4.740 0.008 0.000 0.260 158 N C -0.897 174.441 175.510 -0.287 0.000 1.173 158 N CA 0.389 53.337 53.050 -0.171 0.000 0.960 158 N CB 0.617 39.128 38.487 0.040 0.000 1.273 158 N HN 0.006 nan 8.380 nan 0.000 0.497 159 K N 2.953 123.093 120.400 -0.434 0.000 2.562 159 K HA 0.274 4.599 4.320 0.008 0.000 0.206 159 K C -1.683 174.670 176.600 -0.413 0.000 1.033 159 K CA -1.581 54.511 56.287 -0.326 0.000 1.029 159 K CB 1.868 34.238 32.500 -0.217 0.000 1.393 159 K HN 0.226 nan 8.250 nan 0.000 0.539 160 P HA -0.142 nan 4.420 nan 0.000 0.222 160 P C -0.088 177.154 177.300 -0.096 0.000 1.147 160 P CA 1.051 64.012 63.100 -0.232 0.000 0.790 160 P CB 0.447 32.141 31.700 -0.009 0.000 0.780 161 D N 0.106 120.452 120.400 -0.091 0.000 2.363 161 D HA -0.077 4.568 4.640 0.008 0.000 0.220 161 D C 1.428 177.695 176.300 -0.054 0.000 0.994 161 D CA 0.790 54.761 54.000 -0.050 0.000 0.890 161 D CB -0.087 40.688 40.800 -0.041 0.000 0.906 161 D HN 0.544 nan 8.370 nan 0.000 0.530 162 E N -0.248 119.900 120.200 -0.086 0.000 2.758 162 E HA 0.121 4.476 4.350 0.008 0.000 0.215 162 E C -0.367 176.192 176.600 -0.069 0.000 0.985 162 E CA -0.311 56.047 56.400 -0.069 0.000 1.102 162 E CB 0.265 29.921 29.700 -0.073 0.000 1.042 162 E HN -0.291 nan 8.360 nan 0.000 0.480 163 Q N 1.330 121.087 119.800 -0.071 0.000 2.452 163 Q HA -0.154 4.191 4.340 0.008 0.000 0.318 163 Q C -1.332 174.649 176.000 -0.032 0.000 1.386 163 Q CA 0.995 56.791 55.803 -0.012 0.000 0.872 163 Q CB -1.090 27.669 28.738 0.035 0.000 1.151 163 Q HN 0.307 nan 8.270 nan 0.000 0.417 164 K N 0.544 120.825 120.400 -0.197 0.000 2.468 164 K HA 0.627 4.952 4.320 0.008 0.000 0.252 164 K C -1.011 175.365 176.600 -0.373 0.000 0.932 164 K CA -0.621 55.573 56.287 -0.155 0.000 0.794 164 K CB 1.943 34.362 32.500 -0.135 0.000 1.241 164 K HN 0.091 nan 8.250 nan 0.000 0.428 165 Y N -1.207 119.106 120.300 0.022 0.000 2.504 165 Y HA 0.285 4.839 4.550 0.007 0.000 0.344 165 Y C 1.115 177.055 175.900 0.067 0.000 1.023 165 Y CA -0.652 57.474 58.100 0.044 0.000 1.020 165 Y CB 2.375 40.887 38.460 0.086 0.000 1.282 165 Y HN 0.777 nan 8.280 nan 0.000 0.454 166 G N 0.809 109.730 108.800 0.202 0.000 2.437 166 G HA2 0.225 4.190 3.960 0.008 0.000 0.212 166 G HA3 0.225 4.190 3.960 0.008 0.000 0.212 166 G C -0.411 174.762 174.900 0.455 0.000 1.174 166 G CA 0.424 45.660 45.100 0.225 0.000 0.811 166 G HN 0.316 nan 8.290 nan 0.000 0.537 167 V N 0.609 120.778 119.914 0.425 0.000 2.623 167 V HA 0.608 4.733 4.120 0.008 0.000 0.304 167 V C -1.382 174.942 176.094 0.383 0.000 1.054 167 V CA -0.679 61.883 62.300 0.437 0.000 0.882 167 V CB 1.947 34.111 31.823 0.567 0.000 1.002 167 V HN 0.223 nan 8.190 nan 0.000 0.424 168 L N 6.649 128.016 121.223 0.239 0.000 2.431 168 L HA 0.974 5.319 4.340 0.008 0.000 0.266 168 L C -1.135 175.816 176.870 0.135 0.000 0.978 168 L CA -0.224 54.646 54.840 0.051 0.000 0.822 168 L CB 1.803 43.751 42.059 -0.184 0.000 1.310 168 L HN 0.687 nan 8.230 nan 0.000 0.409 169 F N 0.621 120.432 119.950 -0.231 0.000 2.773 169 F HA 0.487 5.019 4.527 0.008 0.000 0.314 169 F C -0.836 174.793 175.800 -0.284 0.000 1.160 169 F CA -1.013 56.834 58.000 -0.256 0.000 0.920 169 F CB 1.010 39.883 39.000 -0.212 0.000 1.323 169 F HN 0.464 nan 8.300 nan 0.000 0.457 170 E N 1.315 121.272 120.200 -0.405 0.000 1.858 170 E HA 0.345 4.700 4.350 0.008 0.000 0.278 170 E C 0.670 177.101 176.600 -0.280 0.000 1.172 170 E CA 0.203 56.370 56.400 -0.388 0.000 1.127 170 E CB 0.498 29.906 29.700 -0.487 0.000 1.084 170 E HN 0.703 nan 8.360 nan 0.000 0.455 171 A N 3.110 125.575 122.820 -0.591 0.000 2.239 171 A HA -0.123 4.202 4.320 0.008 0.000 0.209 171 A C 1.480 179.246 177.584 0.304 0.000 1.171 171 A CA 0.470 52.270 52.037 -0.396 0.000 0.768 171 A CB -0.140 18.295 19.000 -0.942 0.000 0.790 171 A HN 0.452 nan 8.150 nan 0.000 0.478 172 N N -0.381 118.487 118.700 0.279 0.000 2.322 172 N HA 0.005 4.750 4.740 0.008 0.000 0.194 172 N C -0.357 175.194 175.510 0.067 0.000 1.126 172 N CA -0.046 53.160 53.050 0.260 0.000 0.845 172 N CB -0.253 38.335 38.487 0.167 0.000 0.976 172 N HN 0.245 nan 8.380 nan 0.000 0.475 173 N N 0.399 119.123 118.700 0.041 0.000 2.442 173 N HA 0.127 4.872 4.740 0.008 0.000 0.274 173 N C -0.338 175.273 175.510 0.169 0.000 1.002 173 N CA -0.725 52.402 53.050 0.127 0.000 0.910 173 N CB 0.647 39.320 38.487 0.311 0.000 1.244 173 N HN -0.091 nan 8.380 nan 0.000 0.492 174 F N 4.560 124.464 119.950 -0.077 0.000 2.202 174 F HA -0.170 4.362 4.527 0.008 0.000 0.301 174 F C 1.598 177.701 175.800 0.504 0.000 1.082 174 F CA 1.274 59.349 58.000 0.126 0.000 1.313 174 F CB -0.310 38.821 39.000 0.218 0.000 1.024 174 F HN 0.710 nan 8.300 nan 0.000 0.495 175 Y N -0.409 120.134 120.300 0.406 0.000 2.151 175 Y HA -0.328 4.227 4.550 0.009 0.000 0.284 175 Y C 1.840 177.826 175.900 0.143 0.000 1.166 175 Y CA 2.250 60.511 58.100 0.267 0.000 1.163 175 Y CB -0.886 37.522 38.460 -0.087 0.000 0.974 175 Y HN 0.170 nan 8.280 nan 0.000 0.511 176 Y N -0.870 119.574 120.300 0.241 0.000 2.365 176 Y HA -0.071 4.484 4.550 0.009 0.000 0.293 176 Y C 2.680 178.773 175.900 0.322 0.000 1.119 176 Y CA 1.498 59.751 58.100 0.254 0.000 1.203 176 Y CB -0.562 38.160 38.460 0.438 0.000 1.026 176 Y HN 0.208 nan 8.280 nan 0.000 0.549 177 T N -3.290 111.541 114.554 0.461 0.000 3.100 177 T HA -0.149 4.206 4.350 0.008 0.000 0.253 177 T C 1.632 176.481 174.700 0.248 0.000 1.118 177 T CA 0.268 62.629 62.100 0.436 0.000 1.058 177 T CB -0.810 68.478 68.868 0.701 0.000 0.953 177 T HN 0.360 nan 8.240 nan 0.000 0.515 178 Y N 3.142 123.333 120.300 -0.182 0.000 2.132 178 Y HA -0.302 4.253 4.550 0.008 0.000 0.280 178 Y C 1.734 177.530 175.900 -0.173 0.000 1.193 178 Y CA 1.832 59.625 58.100 -0.512 0.000 1.157 178 Y CB -0.960 36.739 38.460 -1.269 0.000 0.966 178 Y HN 0.448 nan 8.280 nan 0.000 0.511 179 F N -1.122 118.651 119.950 -0.295 0.000 2.202 179 F HA -0.166 4.366 4.527 0.008 0.000 0.301 179 F C 1.726 177.372 175.800 -0.256 0.000 1.082 179 F CA 1.430 59.235 58.000 -0.325 0.000 1.313 179 F CB -1.195 37.683 39.000 -0.203 0.000 1.024 179 F HN 0.039 nan 8.300 nan 0.000 0.495 180 L N -0.858 119.751 121.223 -1.024 0.000 2.056 180 L HA -0.141 4.205 4.340 0.008 0.000 0.207 180 L C 2.390 178.991 176.870 -0.449 0.000 1.078 180 L CA 1.199 55.563 54.840 -0.794 0.000 0.749 180 L CB -0.809 40.836 42.059 -0.690 0.000 0.901 180 L HN 0.122 nan 8.230 nan 0.000 0.433 181 F N -0.024 119.723 119.950 -0.338 0.000 2.128 181 F HA -0.119 4.413 4.527 0.008 0.000 0.295 181 F C 2.636 178.254 175.800 -0.304 0.000 1.100 181 F CA 1.108 58.982 58.000 -0.210 0.000 1.260 181 F CB -0.910 38.086 39.000 -0.008 0.000 1.009 181 F HN -0.029 nan 8.300 nan 0.000 0.476 182 A N 0.124 122.730 122.820 -0.356 0.000 1.972 182 A HA -0.065 4.260 4.320 0.008 0.000 0.219 182 A C 2.396 179.865 177.584 -0.192 0.000 1.169 182 A CA 1.607 53.424 52.037 -0.366 0.000 0.635 182 A CB -1.281 17.345 19.000 -0.624 0.000 0.810 182 A HN 0.305 nan 8.150 nan 0.000 0.446 183 A N -0.264 122.437 122.820 -0.198 0.000 1.940 183 A HA -0.148 4.177 4.320 0.008 0.000 0.219 183 A C 1.875 179.389 177.584 -0.118 0.000 1.176 183 A CA 1.752 53.703 52.037 -0.144 0.000 0.631 183 A CB -0.244 18.644 19.000 -0.186 0.000 0.814 183 A HN 0.349 nan 8.150 nan 0.000 0.446 184 K N -1.392 118.930 120.400 -0.131 0.000 2.444 184 K HA 0.188 4.513 4.320 0.008 0.000 0.193 184 K C 1.041 177.609 176.600 -0.053 0.000 1.024 184 K CA 0.743 56.972 56.287 -0.097 0.000 1.077 184 K CB -0.126 32.299 32.500 -0.125 0.000 0.833 184 K HN 0.865 nan 8.250 nan 0.000 0.517 185 G N 1.100 109.874 108.800 -0.044 0.000 2.131 185 G HA2 -0.241 3.724 3.960 0.008 0.000 0.223 185 G HA3 -0.241 3.724 3.960 0.008 0.000 0.223 185 G C 0.199 175.111 174.900 0.020 0.000 0.990 185 G CA 0.109 45.203 45.100 -0.010 0.000 0.671 185 G HN 0.509 nan 8.290 nan 0.000 0.521 186 A N -0.440 122.400 122.820 0.033 0.000 2.340 186 A HA 0.999 5.324 4.320 0.008 0.000 0.268 186 A C 0.577 178.236 177.584 0.124 0.000 1.100 186 A CA 0.793 52.890 52.037 0.100 0.000 0.803 186 A CB 1.195 20.316 19.000 0.201 0.000 1.043 186 A HN 2.137 nan 8.150 nan 0.000 0.488 187 A N 1.272 124.182 122.820 0.149 0.000 2.454 187 A HA 0.590 4.915 4.320 0.008 0.000 0.302 187 A C 0.729 178.401 177.584 0.147 0.000 1.079 187 A CA -0.313 51.844 52.037 0.201 0.000 0.731 187 A CB 0.788 19.889 19.000 0.169 0.000 1.299 187 A HN 1.023 nan 8.150 nan 0.000 0.413 188 V N 0.283 120.298 119.914 0.168 0.000 2.261 188 V HA -0.059 4.066 4.120 0.008 0.000 0.246 188 V C 0.400 176.200 176.094 -0.490 0.000 1.047 188 V CA 1.683 63.889 62.300 -0.158 0.000 1.015 188 V CB -0.835 30.905 31.823 -0.139 0.000 0.642 188 V HN 0.638 nan 8.190 nan 0.000 0.446 189 F N -0.857 119.146 119.950 0.088 0.000 2.532 189 F HA 0.501 5.033 4.527 0.008 0.000 0.321 189 F C 0.438 176.279 175.800 0.070 0.000 1.089 189 F CA -1.028 57.005 58.000 0.056 0.000 0.926 189 F CB 1.302 40.325 39.000 0.039 0.000 1.168 189 F HN -0.210 nan 8.300 nan 0.000 0.459 190 K N 0.561 121.105 120.400 0.241 0.000 2.187 190 K HA 0.098 4.423 4.320 0.008 0.000 0.247 190 K C 0.207 176.893 176.600 0.142 0.000 1.019 190 K CA -0.268 56.111 56.287 0.154 0.000 0.893 190 K CB 0.409 32.976 32.500 0.112 0.000 1.025 190 K HN 0.576 nan 8.250 nan 0.000 0.500 191 E N 0.518 120.780 120.200 0.104 0.000 2.303 191 E HA -0.031 4.324 4.350 0.008 0.000 0.211 191 E C -0.390 176.248 176.600 0.064 0.000 1.223 191 E CA -0.133 56.319 56.400 0.086 0.000 1.344 191 E CB -0.150 29.596 29.700 0.075 0.000 1.299 191 E HN 0.271 nan 8.360 nan 0.000 0.441 192 Q N 2.396 122.234 119.800 0.063 0.000 2.388 192 Q HA -0.003 4.342 4.340 0.008 0.000 0.246 192 Q C -0.624 175.395 176.000 0.032 0.000 1.246 192 Q CA 0.151 55.980 55.803 0.043 0.000 0.895 192 Q CB -0.672 28.090 28.738 0.040 0.000 1.510 192 Q HN 0.173 nan 8.270 nan 0.000 0.503 193 D N 3.562 123.980 120.400 0.030 0.000 2.697 193 D HA -0.251 4.394 4.640 0.008 0.000 0.235 193 D C 0.788 177.102 176.300 0.023 0.000 1.167 193 D CA 1.381 55.395 54.000 0.023 0.000 0.656 193 D CB -1.510 39.299 40.800 0.015 0.000 1.025 193 D HN 0.887 nan 8.370 nan 0.000 0.419 194 G N -0.406 108.415 108.800 0.035 0.000 3.675 194 G HA2 -0.274 3.691 3.960 0.008 0.000 0.275 194 G HA3 -0.274 3.691 3.960 0.008 0.000 0.275 194 G C 0.524 175.448 174.900 0.040 0.000 1.648 194 G CA 0.790 45.913 45.100 0.038 0.000 1.093 194 G HN 1.014 nan 8.290 nan 0.000 0.617 195 T N 0.191 114.753 114.554 0.014 0.000 3.967 195 T HA 0.543 4.898 4.350 0.008 0.000 0.262 195 T C -0.346 174.325 174.700 -0.050 0.000 0.966 195 T CA 0.069 62.157 62.100 -0.020 0.000 1.169 195 T CB -0.309 68.540 68.868 -0.032 0.000 1.038 195 T HN 0.581 nan 8.240 nan 0.000 0.541 196 L N 2.031 123.237 121.223 -0.028 0.000 3.073 196 L HA 0.576 4.922 4.340 0.008 0.000 0.242 196 L C -0.012 176.841 176.870 -0.028 0.000 1.317 196 L CA 0.029 54.851 54.840 -0.031 0.000 1.081 196 L CB 0.601 42.648 42.059 -0.019 0.000 1.456 196 L HN 0.354 nan 8.230 nan 0.000 0.525 197 D N -0.319 120.054 120.400 -0.044 0.000 2.452 197 D HA 0.180 4.825 4.640 0.008 0.000 0.226 197 D C -2.117 174.154 176.300 -0.047 0.000 1.366 197 D CA -0.957 53.028 54.000 -0.025 0.000 0.986 197 D CB 2.465 43.270 40.800 0.007 0.000 1.420 197 D HN -0.142 nan 8.370 nan 0.000 0.583 198 P HA -0.078 nan 4.420 nan 0.000 0.222 198 P C 0.061 177.384 177.300 0.038 0.000 1.142 198 P CA 0.802 63.873 63.100 -0.047 0.000 0.788 198 P CB 0.202 31.887 31.700 -0.026 0.000 0.767 199 N N 0.479 119.208 118.700 0.049 0.000 2.908 199 N HA 0.084 4.829 4.740 0.008 0.000 0.316 199 N C 0.006 175.573 175.510 0.096 0.000 1.619 199 N CA -0.133 52.961 53.050 0.074 0.000 1.045 199 N CB 0.355 38.868 38.487 0.043 0.000 1.357 199 N HN -0.040 nan 8.380 nan 0.000 0.501 200 E N 0.997 121.299 120.200 0.169 0.000 3.105 200 E HA 0.189 4.544 4.350 0.008 0.000 0.198 200 E C -0.090 176.652 176.600 0.237 0.000 0.976 200 E CA -0.253 56.256 56.400 0.181 0.000 1.219 200 E CB 0.956 30.756 29.700 0.166 0.000 1.081 200 E HN 0.437 nan 8.360 nan 0.000 0.464 201 I N 0.782 121.455 120.570 0.171 0.000 2.598 201 I HA 0.009 4.184 4.170 0.008 0.000 0.284 201 I C 1.450 177.542 176.117 -0.041 0.000 1.140 201 I CA 0.597 61.880 61.300 -0.028 0.000 1.420 201 I CB 0.837 38.785 38.000 -0.086 0.000 1.387 201 I HN 0.119 nan 8.210 nan 0.000 0.553 202 G N 6.393 115.143 108.800 -0.084 0.000 3.575 202 G HA2 0.246 4.211 3.960 0.008 0.000 0.273 202 G HA3 0.246 4.211 3.960 0.008 0.000 0.273 202 G C 0.911 175.788 174.900 -0.038 0.000 1.053 202 G CA -0.262 44.823 45.100 -0.025 0.000 0.803 202 G HN 0.585 nan 8.290 nan 0.000 0.528 203 L N 0.935 122.092 121.223 -0.111 0.000 2.599 203 L HA 0.104 4.449 4.340 0.008 0.000 0.230 203 L C 1.671 178.509 176.870 -0.053 0.000 1.141 203 L CA 0.301 55.063 54.840 -0.129 0.000 0.877 203 L CB 0.048 41.921 42.059 -0.310 0.000 1.009 203 L HN 0.342 nan 8.230 nan 0.000 0.447 204 N N -1.195 117.487 118.700 -0.030 0.000 2.291 204 N HA -0.017 4.728 4.740 0.008 0.000 0.244 204 N C 0.210 175.725 175.510 0.008 0.000 1.216 204 N CA -0.197 52.850 53.050 -0.006 0.000 0.879 204 N CB 0.092 38.568 38.487 -0.019 0.000 1.167 204 N HN 0.083 nan 8.380 nan 0.000 0.515 205 S N 0.299 116.011 115.700 0.019 0.000 2.584 205 S HA 0.273 4.748 4.470 0.008 0.000 0.270 205 S C -1.456 173.156 174.600 0.019 0.000 1.346 205 S CA -0.634 57.578 58.200 0.021 0.000 1.018 205 S CB 1.190 64.408 63.200 0.030 0.000 0.899 205 S HN -0.110 nan 8.310 nan 0.000 0.542 206 P HA -0.206 nan 4.420 nan 0.000 0.216 206 P C 1.629 178.924 177.300 -0.009 0.000 1.154 206 P CA 1.598 64.697 63.100 -0.002 0.000 0.865 206 P CB -0.077 31.620 31.700 -0.004 0.000 0.789 207 E N -0.030 120.169 120.200 -0.000 0.000 2.110 207 E HA -0.164 4.191 4.350 0.008 0.000 0.193 207 E C 2.009 178.605 176.600 -0.006 0.000 0.988 207 E CA 1.649 58.043 56.400 -0.011 0.000 0.804 207 E CB -1.372 28.329 29.700 0.001 0.000 0.745 207 E HN 0.174 nan 8.360 nan 0.000 0.458 208 A N 1.825 124.683 122.820 0.063 0.000 1.933 208 A HA -0.082 4.243 4.320 0.008 0.000 0.218 208 A C 2.623 180.238 177.584 0.051 0.000 1.175 208 A CA 1.565 53.711 52.037 0.182 0.000 0.628 208 A CB -0.737 18.399 19.000 0.227 0.000 0.814 208 A HN 0.155 nan 8.150 nan 0.000 0.444 209 V N -0.116 119.800 119.914 0.004 0.000 2.407 209 V HA -0.317 3.808 4.120 0.008 0.000 0.248 209 V C 2.569 178.597 176.094 -0.110 0.000 1.055 209 V CA 2.167 64.445 62.300 -0.038 0.000 1.049 209 V CB -0.989 30.822 31.823 -0.020 0.000 0.662 209 V HN 0.638 nan 8.190 nan 0.000 0.455 210 Q N 0.250 119.978 119.800 -0.119 0.000 2.096 210 Q HA -0.146 4.199 4.340 0.008 0.000 0.204 210 Q C 2.421 178.261 176.000 -0.267 0.000 0.982 210 Q CA 1.756 57.468 55.803 -0.151 0.000 0.850 210 Q CB -0.559 28.107 28.738 -0.119 0.000 0.901 210 Q HN 0.723 nan 8.270 nan 0.000 0.422 211 G N 0.756 109.296 108.800 -0.433 0.000 2.421 211 G HA2 -0.282 3.683 3.960 0.008 0.000 0.216 211 G HA3 -0.282 3.683 3.960 0.008 0.000 0.216 211 G C 1.365 175.713 174.900 -0.920 0.000 1.171 211 G CA 0.946 45.534 45.100 -0.854 0.000 0.775 211 G HN 0.219 nan 8.290 nan 0.000 0.543 212 M N 0.999 120.150 119.600 -0.747 0.000 2.296 212 M HA 0.111 4.596 4.480 0.008 0.000 0.265 212 M C 1.957 178.186 176.300 -0.117 0.000 1.064 212 M CA 1.207 56.319 55.300 -0.312 0.000 1.109 212 M CB -0.664 31.892 32.600 -0.073 0.000 1.396 212 M HN 0.228 nan 8.290 nan 0.000 0.430 213 N N -0.158 118.465 118.700 -0.127 0.000 2.166 213 N HA -0.151 4.594 4.740 0.008 0.000 0.186 213 N C 1.464 176.965 175.510 -0.016 0.000 1.019 213 N CA 1.379 54.399 53.050 -0.050 0.000 0.856 213 N CB -0.029 38.419 38.487 -0.065 0.000 0.993 213 N HN 0.350 nan 8.380 nan 0.000 0.426 214 E N 0.206 120.366 120.200 -0.068 0.000 2.072 214 E HA -0.094 4.261 4.350 0.008 0.000 0.191 214 E C 2.116 178.883 176.600 0.278 0.000 0.985 214 E CA 0.596 57.005 56.400 0.015 0.000 0.801 214 E CB -0.471 29.178 29.700 -0.085 0.000 0.750 214 E HN 0.198 nan 8.360 nan 0.000 0.452 215 V N 1.584 121.652 119.914 0.257 0.000 2.287 215 V HA -0.295 3.830 4.120 0.008 0.000 0.248 215 V C 2.688 179.124 176.094 0.569 0.000 1.053 215 V CA 2.115 64.702 62.300 0.478 0.000 1.027 215 V CB -0.616 31.464 31.823 0.428 0.000 0.646 215 V HN 0.288 nan 8.190 nan 0.000 0.447 216 Q N 0.022 120.048 119.800 0.377 0.000 2.112 216 Q HA -0.297 4.048 4.340 0.008 0.000 0.206 216 Q C 2.312 178.553 176.000 0.401 0.000 0.987 216 Q CA 2.058 58.081 55.803 0.368 0.000 0.858 216 Q CB -0.105 28.745 28.738 0.188 0.000 0.905 216 Q HN 0.618 nan 8.270 nan 0.000 0.420 217 K N -0.668 119.915 120.400 0.306 0.000 2.103 217 K HA -0.192 4.133 4.320 0.008 0.000 0.207 217 K C 1.596 178.442 176.600 0.409 0.000 1.048 217 K CA 1.609 58.061 56.287 0.274 0.000 0.930 217 K CB -0.229 32.289 32.500 0.029 0.000 0.716 217 K HN 0.366 nan 8.250 nan 0.000 0.444 218 W N -0.219 121.309 121.300 0.381 0.000 2.392 218 W HA -0.100 4.565 4.660 0.009 0.000 0.279 218 W C 1.530 177.945 176.519 -0.174 0.000 1.225 218 W CA 0.799 58.217 57.345 0.120 0.000 1.233 218 W CB -0.153 29.268 29.460 -0.066 0.000 1.122 218 W HN 0.006 nan 8.180 nan 0.000 0.561 219 F N -1.957 118.198 119.950 0.342 0.000 2.446 219 F HA 0.012 4.543 4.527 0.007 0.000 0.292 219 F C 2.221 178.113 175.800 0.153 0.000 1.096 219 F CA 1.124 59.251 58.000 0.213 0.000 1.438 219 F CB -0.771 38.335 39.000 0.177 0.000 1.107 219 F HN -0.369 nan 8.300 nan 0.000 0.546 220 T N -1.052 113.692 114.554 0.316 0.000 3.009 220 T HA -0.006 4.349 4.350 0.008 0.000 0.258 220 T C 1.506 176.285 174.700 0.132 0.000 1.063 220 T CA 1.085 63.305 62.100 0.200 0.000 1.139 220 T CB 0.021 68.994 68.868 0.174 0.000 0.890 220 T HN 0.214 nan 8.240 nan 0.000 0.471 221 E N 0.320 120.595 120.200 0.126 0.000 2.399 221 E HA 0.349 4.704 4.350 0.008 0.000 0.205 221 E C 1.683 178.214 176.600 -0.115 0.000 0.906 221 E CA 0.127 56.553 56.400 0.044 0.000 0.998 221 E CB 0.386 30.171 29.700 0.142 0.000 1.002 221 E HN 0.294 nan 8.360 nan 0.000 0.501 222 A N 1.618 124.335 122.820 -0.172 0.000 2.387 222 A HA 0.072 4.397 4.320 0.008 0.000 0.234 222 A C 0.458 178.030 177.584 -0.020 0.000 1.253 222 A CA -0.231 51.647 52.037 -0.266 0.000 0.894 222 A CB -0.541 18.134 19.000 -0.542 0.000 0.963 222 A HN 0.254 nan 8.150 nan 0.000 0.508 223 R N -0.300 120.224 120.500 0.040 0.000 3.184 223 R HA -0.181 4.164 4.340 0.008 0.000 0.242 223 R C -1.087 175.319 176.300 0.175 0.000 0.907 223 R CA 0.504 56.669 56.100 0.108 0.000 0.618 223 R CB -2.627 27.711 30.300 0.064 0.000 1.016 223 R HN 0.413 nan 8.270 nan 0.000 0.469 224 L N 0.857 122.150 121.223 0.117 0.000 2.397 224 L HA 0.324 4.669 4.340 0.008 0.000 0.271 224 L C -1.468 175.522 176.870 0.201 0.000 1.148 224 L CA -2.225 52.651 54.840 0.060 0.000 0.825 224 L CB 0.437 42.299 42.059 -0.328 0.000 1.117 224 L HN 0.058 nan 8.230 nan 0.000 0.456 225 P HA -0.003 nan 4.420 nan 0.000 0.267 225 P C -0.878 176.582 177.300 0.267 0.000 1.200 225 P CA -0.225 62.995 63.100 0.200 0.000 0.772 225 P CB 0.357 32.130 31.700 0.122 0.000 0.855 226 Q N 1.292 121.212 119.800 0.201 0.000 2.354 226 Q HA 0.174 4.519 4.340 0.008 0.000 0.244 226 Q C 0.567 176.613 176.000 0.077 0.000 0.969 226 Q CA 0.079 55.957 55.803 0.126 0.000 0.885 226 Q CB 0.256 29.027 28.738 0.056 0.000 1.241 226 Q HN 0.729 nan 8.270 nan 0.000 0.461 227 S N -0.227 115.492 115.700 0.031 0.000 3.550 227 S HA -0.201 4.274 4.470 0.008 0.000 0.372 227 S C -0.094 174.523 174.600 0.028 0.000 0.966 227 S CA 0.220 58.428 58.200 0.013 0.000 1.229 227 S CB -2.146 61.053 63.200 -0.003 0.000 0.917 227 S HN 0.524 nan 8.310 nan 0.000 0.496 228 L N 1.340 122.593 121.223 0.050 0.000 2.467 228 L HA 0.456 4.801 4.340 0.008 0.000 0.270 228 L C 0.828 177.692 176.870 -0.010 0.000 1.205 228 L CA 0.491 55.339 54.840 0.013 0.000 0.828 228 L CB 0.450 42.502 42.059 -0.012 0.000 1.101 228 L HN 0.733 nan 8.230 nan 0.000 0.479 229 K N 0.976 121.362 120.400 -0.023 0.000 2.533 229 K HA 0.608 4.933 4.320 0.008 0.000 0.272 229 K C 0.197 176.785 176.600 -0.020 0.000 0.985 229 K CA -0.389 55.885 56.287 -0.023 0.000 0.876 229 K CB 1.451 33.943 32.500 -0.014 0.000 1.452 229 K HN 0.375 nan 8.250 nan 0.000 0.439 230 A N 1.060 123.876 122.820 -0.007 0.000 1.903 230 A HA -0.258 4.067 4.320 0.008 0.000 0.219 230 A C 1.427 179.046 177.584 0.057 0.000 1.191 230 A CA 2.402 54.459 52.037 0.033 0.000 0.638 230 A CB -1.040 17.987 19.000 0.045 0.000 0.823 230 A HN 0.873 nan 8.150 nan 0.000 0.451 231 D N -0.653 119.771 120.400 0.040 0.000 2.133 231 D HA -0.109 4.536 4.640 0.008 0.000 0.195 231 D C 2.099 178.435 176.300 0.059 0.000 0.997 231 D CA 1.934 55.966 54.000 0.053 0.000 0.840 231 D CB -0.690 40.130 40.800 0.032 0.000 0.947 231 D HN 0.502 nan 8.370 nan 0.000 0.452 232 T N 0.125 114.699 114.554 0.034 0.000 2.737 232 T HA -0.074 4.281 4.350 0.008 0.000 0.265 232 T C 2.287 176.999 174.700 0.021 0.000 1.038 232 T CA 0.814 62.928 62.100 0.023 0.000 1.144 232 T CB -0.428 68.439 68.868 -0.001 0.000 0.866 232 T HN -0.023 nan 8.240 nan 0.000 0.434 233 V N 2.691 122.612 119.914 0.013 0.000 2.261 233 V HA -0.187 3.938 4.120 0.008 0.000 0.246 233 V C 2.507 178.684 176.094 0.138 0.000 1.047 233 V CA 1.609 63.924 62.300 0.025 0.000 1.015 233 V CB -0.659 31.164 31.823 0.001 0.000 0.642 233 V HN 0.425 nan 8.190 nan 0.000 0.446 234 N N 0.940 119.762 118.700 0.203 0.000 2.120 234 N HA -0.117 4.628 4.740 0.008 0.000 0.188 234 N C 1.916 177.603 175.510 0.296 0.000 1.024 234 N CA 1.719 54.984 53.050 0.357 0.000 0.852 234 N CB -0.828 37.850 38.487 0.319 0.000 1.003 234 N HN 0.521 nan 8.380 nan 0.000 0.424 235 G N 0.906 109.815 108.800 0.181 0.000 2.422 235 G HA2 -0.165 3.800 3.960 0.008 0.000 0.218 235 G HA3 -0.165 3.800 3.960 0.008 0.000 0.218 235 G C 1.520 176.489 174.900 0.115 0.000 1.146 235 G CA 0.462 45.642 45.100 0.134 0.000 0.769 235 G HN 0.151 nan 8.290 nan 0.000 0.547 236 L N -0.795 120.495 121.223 0.112 0.000 2.109 236 L HA 0.235 4.581 4.340 0.008 0.000 0.207 236 L C 2.354 179.283 176.870 0.099 0.000 1.086 236 L CA 0.816 55.716 54.840 0.100 0.000 0.760 236 L CB -0.839 41.271 42.059 0.085 0.000 0.910 236 L HN 0.248 nan 8.230 nan 0.000 0.437 237 F N 0.523 120.447 119.950 -0.044 0.000 2.146 237 F HA -0.190 4.341 4.527 0.007 0.000 0.298 237 F C 2.364 178.062 175.800 -0.170 0.000 1.096 237 F CA 1.542 59.445 58.000 -0.161 0.000 1.275 237 F CB -0.109 38.669 39.000 -0.371 0.000 1.008 237 F HN -0.054 nan 8.300 nan 0.000 0.480 238 K N -0.218 120.186 120.400 0.008 0.000 2.209 238 K HA -0.129 4.196 4.320 0.008 0.000 0.204 238 K C 2.018 178.583 176.600 -0.058 0.000 1.048 238 K CA 1.442 57.731 56.287 0.003 0.000 0.940 238 K CB -0.376 32.225 32.500 0.168 0.000 0.729 238 K HN 0.370 nan 8.250 nan 0.000 0.451 239 S N -0.576 115.101 115.700 -0.040 0.000 2.603 239 S HA 0.080 4.555 4.470 0.008 0.000 0.220 239 S C 1.286 175.839 174.600 -0.078 0.000 0.967 239 S CA 0.409 58.589 58.200 -0.033 0.000 0.920 239 S CB 0.207 63.412 63.200 0.009 0.000 0.773 239 S HN 0.421 nan 8.310 nan 0.000 0.529 240 G N 1.425 110.121 108.800 -0.172 0.000 2.136 240 G HA2 -0.273 3.692 3.960 0.008 0.000 0.242 240 G HA3 -0.273 3.692 3.960 0.008 0.000 0.242 240 G C 0.605 175.433 174.900 -0.120 0.000 0.989 240 G CA 0.495 45.474 45.100 -0.201 0.000 0.682 240 G HN 0.566 nan 8.290 nan 0.000 0.522 241 K N -0.917 119.446 120.400 -0.061 0.000 2.379 241 K HA 0.362 4.687 4.320 0.008 0.000 0.194 241 K C 0.573 177.234 176.600 0.102 0.000 1.031 241 K CA 0.573 56.879 56.287 0.032 0.000 1.037 241 K CB 0.968 33.520 32.500 0.086 0.000 0.824 241 K HN 0.293 nan 8.250 nan 0.000 0.516 242 V N 0.827 120.790 119.914 0.082 0.000 2.448 242 V HA 0.242 4.368 4.120 0.008 0.000 0.295 242 V C 0.670 176.896 176.094 0.220 0.000 1.025 242 V CA -0.494 61.942 62.300 0.226 0.000 0.859 242 V CB 1.449 33.468 31.823 0.326 0.000 0.988 242 V HN 0.114 nan 8.190 nan 0.000 0.431 243 A N 3.889 126.881 122.820 0.287 0.000 1.897 243 A HA 0.560 4.885 4.320 0.008 0.000 0.215 243 A C 1.083 178.914 177.584 0.411 0.000 1.181 243 A CA 1.390 53.613 52.037 0.311 0.000 0.620 243 A CB 0.006 19.248 19.000 0.403 0.000 0.821 243 A HN 1.340 nan 8.150 nan 0.000 0.443 244 A N -1.148 121.910 122.820 0.397 0.000 2.520 244 A HA 0.590 4.915 4.320 0.008 0.000 0.298 244 A C -0.580 177.102 177.584 0.164 0.000 1.051 244 A CA 0.074 52.285 52.037 0.290 0.000 0.690 244 A CB 1.102 20.206 19.000 0.172 0.000 1.281 244 A HN 1.385 nan 8.150 nan 0.000 0.402 245 V N -0.621 119.264 119.914 -0.048 0.000 3.001 245 V HA 0.808 4.933 4.120 0.008 0.000 0.314 245 V C -0.582 175.475 176.094 -0.061 0.000 1.099 245 V CA -0.927 61.334 62.300 -0.065 0.000 0.989 245 V CB 1.760 33.467 31.823 -0.194 0.000 1.040 245 V HN 0.713 nan 8.190 nan 0.000 0.434 246 I N 3.669 124.227 120.570 -0.020 0.000 2.306 246 I HA 0.553 4.728 4.170 0.008 0.000 0.288 246 I C -0.100 176.140 176.117 0.204 0.000 1.036 246 I CA 0.242 61.521 61.300 -0.035 0.000 1.221 246 I CB 0.540 38.369 38.000 -0.285 0.000 1.385 246 I HN 0.776 nan 8.210 nan 0.000 0.472 247 N N 3.541 122.336 118.700 0.159 0.000 2.934 247 N HA 0.624 5.369 4.740 0.008 0.000 0.253 247 N C -0.699 174.743 175.510 -0.114 0.000 1.466 247 N CA -0.402 52.773 53.050 0.209 0.000 0.858 247 N CB 2.238 40.803 38.487 0.130 0.000 1.459 247 N HN 0.499 nan 8.380 nan 0.000 0.532 248 G N -0.263 107.996 108.800 -0.901 0.000 2.601 248 G HA2 0.455 4.420 3.960 0.008 0.000 0.317 248 G HA3 0.455 4.420 3.960 0.008 0.000 0.317 248 G C -1.953 171.936 174.900 -1.684 0.000 1.246 248 G CA -1.223 42.881 45.100 -1.660 0.000 1.012 248 G HN 0.398 nan 8.290 nan 0.000 0.494 249 P HA -0.087 nan 4.420 nan 0.000 0.221 249 P C 1.289 178.237 177.300 -0.586 0.000 1.145 249 P CA 1.261 63.638 63.100 -1.205 0.000 0.795 249 P CB 0.002 31.149 31.700 -0.921 0.000 0.775 250 W N -0.123 121.016 121.300 -0.268 0.000 2.364 250 W HA 0.032 4.695 4.660 0.006 0.000 0.281 250 W C 1.722 178.109 176.519 -0.219 0.000 1.219 250 W CA 0.993 58.219 57.345 -0.197 0.000 1.220 250 W CB -1.837 27.530 29.460 -0.154 0.000 1.127 250 W HN -0.120 nan 8.180 nan 0.000 0.556 251 A N 0.125 122.679 122.820 -0.443 0.000 2.275 251 A HA 0.162 4.487 4.320 0.008 0.000 0.212 251 A C 1.658 178.835 177.584 -0.678 0.000 1.201 251 A CA 0.431 52.132 52.037 -0.560 0.000 0.843 251 A CB -0.509 17.990 19.000 -0.834 0.000 0.873 251 A HN 0.205 nan 8.150 nan 0.000 0.492 252 I N 0.368 120.723 120.570 -0.358 0.000 2.142 252 I HA -0.196 3.979 4.170 0.008 0.000 0.240 252 I C 2.213 178.294 176.117 -0.061 0.000 1.078 252 I CA 1.381 62.599 61.300 -0.136 0.000 1.343 252 I CB -0.351 37.630 38.000 -0.031 0.000 1.046 252 I HN 0.108 nan 8.210 nan 0.000 0.405 253 K N 0.155 120.506 120.400 -0.081 0.000 2.063 253 K HA -0.223 4.102 4.320 0.008 0.000 0.208 253 K C 1.896 178.499 176.600 0.004 0.000 1.048 253 K CA 1.649 57.913 56.287 -0.038 0.000 0.928 253 K CB -0.690 31.778 32.500 -0.053 0.000 0.713 253 K HN 0.322 nan 8.250 nan 0.000 0.442 254 D N -0.293 120.092 120.400 -0.025 0.000 2.097 254 D HA -0.154 4.491 4.640 0.008 0.000 0.195 254 D C 1.855 178.271 176.300 0.192 0.000 0.989 254 D CA 1.021 55.046 54.000 0.041 0.000 0.827 254 D CB -0.007 40.786 40.800 -0.012 0.000 0.966 254 D HN 0.121 nan 8.370 nan 0.000 0.456 255 Y N 0.921 121.289 120.300 0.113 0.000 2.181 255 Y HA -0.083 4.470 4.550 0.005 0.000 0.288 255 Y C 2.443 178.401 175.900 0.097 0.000 1.146 255 Y CA 0.830 59.029 58.100 0.164 0.000 1.164 255 Y CB -0.937 37.682 38.460 0.266 0.000 0.982 255 Y HN 0.159 nan 8.280 nan 0.000 0.515 256 Q N -0.782 119.155 119.800 0.228 0.000 2.167 256 Q HA -0.073 4.272 4.340 0.008 0.000 0.202 256 Q C 2.363 178.412 176.000 0.083 0.000 0.970 256 Q CA 1.174 57.051 55.803 0.122 0.000 0.855 256 Q CB -0.251 28.533 28.738 0.077 0.000 0.911 256 Q HN 0.434 nan 8.270 nan 0.000 0.438 257 A N 0.481 123.351 122.820 0.083 0.000 2.167 257 A HA 0.129 4.454 4.320 0.008 0.000 0.214 257 A C 1.873 179.495 177.584 0.065 0.000 1.151 257 A CA 1.023 53.096 52.037 0.060 0.000 0.735 257 A CB -0.118 18.913 19.000 0.051 0.000 0.802 257 A HN 0.308 nan 8.150 nan 0.000 0.467 258 A N -1.581 121.294 122.820 0.091 0.000 2.337 258 A HA 0.452 4.777 4.320 0.008 0.000 0.227 258 A C 1.595 179.196 177.584 0.029 0.000 1.259 258 A CA 0.909 52.987 52.037 0.069 0.000 0.870 258 A CB -0.875 18.188 19.000 0.104 0.000 0.927 258 A HN 1.714 nan 8.150 nan 0.000 0.497 259 G N -0.506 108.312 108.800 0.031 0.000 2.148 259 G HA2 -0.237 3.728 3.960 0.008 0.000 0.254 259 G HA3 -0.237 3.728 3.960 0.008 0.000 0.254 259 G C 0.062 174.953 174.900 -0.015 0.000 0.981 259 G CA 0.320 45.424 45.100 0.007 0.000 0.670 259 G HN 0.505 nan 8.290 nan 0.000 0.528 260 I N 0.883 121.445 120.570 -0.014 0.000 2.441 260 I HA 0.178 4.353 4.170 0.008 0.000 0.287 260 I C 0.621 176.734 176.117 -0.007 0.000 1.049 260 I CA -0.797 60.467 61.300 -0.060 0.000 1.381 260 I CB 0.926 38.842 38.000 -0.139 0.000 1.409 260 I HN 0.067 nan 8.210 nan 0.000 0.523 261 N N 7.187 125.870 118.700 -0.029 0.000 2.421 261 N HA 0.109 4.854 4.740 0.008 0.000 0.260 261 N C -0.740 174.747 175.510 -0.037 0.000 1.173 261 N CA -0.309 52.729 53.050 -0.019 0.000 0.960 261 N CB 0.451 38.927 38.487 -0.019 0.000 1.273 261 N HN 0.415 nan 8.380 nan 0.000 0.497 262 V N 1.340 121.244 119.914 -0.017 0.000 2.465 262 V HA 0.846 4.971 4.120 0.008 0.000 0.279 262 V C 0.870 176.825 176.094 -0.232 0.000 1.045 262 V CA -0.850 61.424 62.300 -0.045 0.000 0.938 262 V CB 0.912 32.800 31.823 0.108 0.000 0.986 262 V HN 0.444 nan 8.190 nan 0.000 0.467 263 G N 3.188 111.630 108.800 -0.597 0.000 2.417 263 G HA2 0.648 4.613 3.960 0.008 0.000 0.334 263 G HA3 0.648 4.613 3.960 0.008 0.000 0.334 263 G C -1.112 173.354 174.900 -0.723 0.000 1.150 263 G CA -0.781 43.759 45.100 -0.933 0.000 0.923 263 G HN 1.049 nan 8.290 nan 0.000 0.485 264 V N 0.557 120.249 119.914 -0.370 0.000 2.525 264 V HA 0.774 4.899 4.120 0.008 0.000 0.299 264 V C 0.106 176.111 176.094 -0.148 0.000 1.034 264 V CA -0.664 61.442 62.300 -0.323 0.000 0.863 264 V CB 1.085 32.554 31.823 -0.590 0.000 0.999 264 V HN 1.200 nan 8.190 nan 0.000 0.423 265 A N 6.754 129.533 122.820 -0.068 0.000 2.454 265 A HA 1.027 5.352 4.320 0.008 0.000 0.302 265 A C -2.973 174.528 177.584 -0.139 0.000 1.079 265 A CA -1.955 50.051 52.037 -0.053 0.000 0.731 265 A CB 2.054 21.072 19.000 0.030 0.000 1.299 265 A HN 0.559 nan 8.150 nan 0.000 0.413 266 P HA 0.126 nan 4.420 nan 0.000 0.267 266 P C -0.356 176.864 177.300 -0.134 0.000 1.200 266 P CA 0.172 63.198 63.100 -0.123 0.000 0.772 266 P CB 0.321 31.972 31.700 -0.082 0.000 0.855 267 L N 3.891 125.004 121.223 -0.182 0.000 2.540 267 L HA 0.039 4.384 4.340 0.008 0.000 0.276 267 L C -1.446 175.350 176.870 -0.123 0.000 1.212 267 L CA -1.425 53.281 54.840 -0.224 0.000 0.893 267 L CB -0.856 40.936 42.059 -0.445 0.000 1.138 267 L HN 0.266 nan 8.230 nan 0.000 0.491 268 P HA -0.055 nan 4.420 nan 0.000 0.263 268 P C -0.815 176.512 177.300 0.046 0.000 1.175 268 P CA -0.150 62.947 63.100 -0.003 0.000 0.761 268 P CB 0.163 31.882 31.700 0.031 0.000 0.794 269 K N 3.234 123.656 120.400 0.036 0.000 2.511 269 K HA 0.123 4.448 4.320 0.008 0.000 0.280 269 K C 0.004 176.665 176.600 0.103 0.000 1.008 269 K CA -0.115 56.200 56.287 0.047 0.000 1.050 269 K CB 0.225 32.742 32.500 0.028 0.000 0.889 269 K HN 0.314 nan 8.250 nan 0.000 0.484 270 I N 3.531 124.152 120.570 0.084 0.000 2.378 270 I HA 0.091 4.266 4.170 0.008 0.000 0.291 270 I C -0.578 175.555 176.117 0.027 0.000 0.992 270 I CA 0.061 61.408 61.300 0.078 0.000 1.154 270 I CB 0.802 38.802 38.000 -0.000 0.000 1.315 270 I HN 0.863 nan 8.210 nan 0.000 0.448 271 D N 5.894 126.317 120.400 0.037 0.000 2.751 271 D HA -0.205 4.440 4.640 0.008 0.000 0.233 271 D C 1.160 177.469 176.300 0.015 0.000 1.149 271 D CA 1.412 55.421 54.000 0.015 0.000 0.682 271 D CB -1.149 39.639 40.800 -0.020 0.000 1.068 271 D HN 1.145 nan 8.370 nan 0.000 0.429 272 G N -0.517 108.300 108.800 0.029 0.000 2.179 272 G HA2 -0.364 3.601 3.960 0.008 0.000 0.260 272 G HA3 -0.364 3.601 3.960 0.008 0.000 0.260 272 G C 0.286 175.195 174.900 0.015 0.000 0.977 272 G CA 1.085 46.197 45.100 0.021 0.000 0.641 272 G HN 0.765 nan 8.290 nan 0.000 0.533 273 K N 0.193 120.601 120.400 0.013 0.000 2.350 273 K HA 0.629 4.954 4.320 0.008 0.000 0.241 273 K C -1.002 175.603 176.600 0.009 0.000 0.994 273 K CA -1.061 55.231 56.287 0.008 0.000 0.839 273 K CB 1.740 34.241 32.500 0.002 0.000 1.244 273 K HN -0.058 nan 8.250 nan 0.000 0.443 274 D N 1.079 121.481 120.400 0.004 0.000 2.525 274 D HA 0.019 4.664 4.640 0.008 0.000 0.235 274 D C -0.032 176.268 176.300 0.000 0.000 1.137 274 D CA 0.449 54.448 54.000 -0.001 0.000 0.868 274 D CB 0.883 41.683 40.800 0.000 0.000 1.180 274 D HN 0.661 nan 8.370 nan 0.000 0.465 275 A N 2.988 125.801 122.820 -0.011 0.000 2.477 275 A HA 0.046 4.371 4.320 0.008 0.000 0.246 275 A C 0.392 177.974 177.584 -0.003 0.000 1.078 275 A CA -0.141 51.895 52.037 -0.002 0.000 0.770 275 A CB 0.348 19.288 19.000 -0.100 0.000 1.011 275 A HN 0.573 nan 8.150 nan 0.000 0.494 276 Q N 2.138 121.946 119.800 0.014 0.000 2.431 276 Q HA 0.374 4.719 4.340 0.008 0.000 0.249 276 Q C -0.013 176.024 176.000 0.061 0.000 1.025 276 Q CA -0.385 55.434 55.803 0.027 0.000 0.835 276 Q CB 0.580 29.323 28.738 0.008 0.000 1.207 276 Q HN 0.877 nan 8.270 nan 0.000 0.490 277 T N 0.087 114.687 114.554 0.077 0.000 2.881 277 T HA 0.439 4.794 4.350 0.008 0.000 0.278 277 T C 0.125 174.889 174.700 0.106 0.000 0.982 277 T CA -0.602 61.541 62.100 0.072 0.000 0.989 277 T CB 0.622 69.481 68.868 -0.014 0.000 1.058 277 T HN 0.356 nan 8.240 nan 0.000 0.529 278 F N 0.230 120.175 119.950 -0.009 0.000 2.459 278 F HA 0.413 4.945 4.527 0.008 0.000 0.346 278 F C 0.609 176.425 175.800 0.027 0.000 1.128 278 F CA -0.885 57.050 58.000 -0.109 0.000 1.268 278 F CB 0.579 39.425 39.000 -0.256 0.000 1.161 278 F HN 0.326 nan 8.300 nan 0.000 0.583 279 I N 1.983 122.759 120.570 0.342 0.000 2.354 279 I HA 0.397 4.572 4.170 0.008 0.000 0.292 279 I C 0.331 176.654 176.117 0.342 0.000 0.989 279 I CA -0.339 61.121 61.300 0.268 0.000 1.188 279 I CB 1.487 39.595 38.000 0.180 0.000 1.342 279 I HN 0.572 nan 8.210 nan 0.000 0.457 280 G N 5.253 114.243 108.800 0.316 0.000 2.416 280 G HA2 0.640 4.605 3.960 0.008 0.000 0.329 280 G HA3 0.640 4.605 3.960 0.008 0.000 0.329 280 G C -1.101 173.927 174.900 0.212 0.000 1.173 280 G CA -0.380 44.923 45.100 0.340 0.000 0.929 280 G HN 0.338 nan 8.290 nan 0.000 0.475 281 V N 2.141 122.213 119.914 0.264 0.000 2.444 281 V HA 0.413 4.538 4.120 0.008 0.000 0.294 281 V C -0.269 175.871 176.094 0.078 0.000 1.022 281 V CA -0.928 61.399 62.300 0.045 0.000 0.850 281 V CB 1.691 33.423 31.823 -0.151 0.000 0.992 281 V HN 0.687 nan 8.190 nan 0.000 0.426 282 K N 3.487 123.854 120.400 -0.054 0.000 2.265 282 K HA 0.705 5.030 4.320 0.008 0.000 0.267 282 K C 0.196 176.588 176.600 -0.348 0.000 0.994 282 K CA -0.297 55.888 56.287 -0.170 0.000 0.860 282 K CB 2.222 34.595 32.500 -0.212 0.000 1.099 282 K HN 0.863 nan 8.250 nan 0.000 0.448 283 G N 1.899 110.386 108.800 -0.522 0.000 2.685 283 G HA2 0.438 4.403 3.960 0.008 0.000 0.298 283 G HA3 0.438 4.403 3.960 0.008 0.000 0.298 283 G C -1.515 172.705 174.900 -1.132 0.000 1.277 283 G CA -0.873 43.796 45.100 -0.718 0.000 0.986 283 G HN 0.503 nan 8.290 nan 0.000 0.487 284 W N -0.052 120.818 121.300 -0.718 0.000 2.316 284 W HA 0.550 5.214 4.660 0.007 0.000 0.311 284 W C -0.761 175.322 176.519 -0.727 0.000 1.217 284 W CA -0.437 56.514 57.345 -0.656 0.000 1.199 284 W CB 1.012 30.264 29.460 -0.346 0.000 1.202 284 W HN 0.331 nan 8.180 nan 0.000 0.528 285 Y N 2.437 122.742 120.300 0.008 0.000 2.549 285 Y HA 0.541 5.096 4.550 0.008 0.000 0.339 285 Y C -0.443 175.430 175.900 -0.044 0.000 1.053 285 Y CA -1.773 56.276 58.100 -0.085 0.000 1.105 285 Y CB 0.714 39.002 38.460 -0.286 0.000 1.258 285 Y HN 0.106 nan 8.280 nan 0.000 0.478 286 L N 1.821 123.136 121.223 0.154 0.000 2.265 286 L HA 0.496 4.841 4.340 0.008 0.000 0.289 286 L C 0.218 177.136 176.870 0.079 0.000 1.033 286 L CA -0.244 54.637 54.840 0.068 0.000 0.814 286 L CB 1.002 43.084 42.059 0.037 0.000 1.203 286 L HN 0.665 nan 8.230 nan 0.000 0.423 287 S N 3.803 119.535 115.700 0.053 0.000 2.552 287 S HA 0.264 4.739 4.470 0.008 0.000 0.289 287 S C 1.508 176.125 174.600 0.028 0.000 1.304 287 S CA 0.152 58.404 58.200 0.087 0.000 1.063 287 S CB 0.834 64.086 63.200 0.087 0.000 0.848 287 S HN 0.921 nan 8.310 nan 0.000 0.499 288 A N 4.549 127.339 122.820 -0.050 0.000 2.172 288 A HA 0.043 4.368 4.320 0.008 0.000 0.216 288 A C 1.066 178.433 177.584 -0.361 0.000 1.154 288 A CA 1.024 52.915 52.037 -0.244 0.000 0.701 288 A CB -0.588 18.184 19.000 -0.380 0.000 0.789 288 A HN 0.958 nan 8.150 nan 0.000 0.465 289 Y N -0.473 119.819 120.300 -0.014 0.000 2.457 289 Y HA 0.244 4.799 4.550 0.009 0.000 0.263 289 Y C 1.430 177.286 175.900 -0.072 0.000 1.164 289 Y CA 0.078 58.156 58.100 -0.037 0.000 1.274 289 Y CB -0.094 38.351 38.460 -0.025 0.000 1.097 289 Y HN 0.190 nan 8.280 nan 0.000 0.523 290 S N 1.285 117.003 115.700 0.030 0.000 2.544 290 S HA -0.012 4.463 4.470 0.008 0.000 0.290 290 S C 1.198 175.714 174.600 -0.140 0.000 1.276 290 S CA -0.222 57.959 58.200 -0.032 0.000 1.075 290 S CB 0.502 63.693 63.200 -0.014 0.000 0.849 290 S HN 0.426 nan 8.310 nan 0.000 0.494 291 K N 3.438 123.646 120.400 -0.319 0.000 2.459 291 K HA 0.029 4.354 4.320 0.008 0.000 0.193 291 K C -0.587 175.515 176.600 -0.830 0.000 1.030 291 K CA 0.710 56.605 56.287 -0.652 0.000 1.026 291 K CB 0.127 32.055 32.500 -0.954 0.000 0.809 291 K HN 0.756 nan 8.250 nan 0.000 0.504 292 Y N -0.259 120.033 120.300 -0.013 0.000 2.477 292 Y HA 0.188 4.743 4.550 0.008 0.000 0.340 292 Y C -2.018 173.852 175.900 -0.049 0.000 0.987 292 Y CA -1.949 56.132 58.100 -0.032 0.000 1.127 292 Y CB 0.743 39.252 38.460 0.083 0.000 1.139 292 Y HN -0.030 nan 8.280 nan 0.000 0.637 293 P HA -0.204 nan 4.420 nan 0.000 0.218 293 P C 1.539 178.831 177.300 -0.014 0.000 1.149 293 P CA 1.365 64.458 63.100 -0.013 0.000 0.817 293 P CB 0.625 32.297 31.700 -0.046 0.000 0.785 294 K N -0.474 119.888 120.400 -0.063 0.000 2.002 294 K HA -0.176 4.149 4.320 0.008 0.000 0.209 294 K C 2.184 178.812 176.600 0.047 0.000 1.048 294 K CA 1.431 57.675 56.287 -0.072 0.000 0.930 294 K CB -0.506 31.872 32.500 -0.203 0.000 0.714 294 K HN -0.032 nan 8.250 nan 0.000 0.438 295 Y N 0.538 120.886 120.300 0.080 0.000 2.200 295 Y HA -0.060 4.495 4.550 0.008 0.000 0.290 295 Y C 2.454 178.359 175.900 0.008 0.000 1.137 295 Y CA 0.719 58.870 58.100 0.087 0.000 1.163 295 Y CB -1.026 37.484 38.460 0.083 0.000 0.988 295 Y HN 0.212 nan 8.280 nan 0.000 0.518 296 A N -0.448 122.452 122.820 0.133 0.000 1.902 296 A HA -0.179 4.146 4.320 0.008 0.000 0.217 296 A C 2.329 179.855 177.584 -0.097 0.000 1.181 296 A CA 2.273 54.288 52.037 -0.036 0.000 0.623 296 A CB -1.207 17.782 19.000 -0.019 0.000 0.818 296 A HN 0.420 nan 8.150 nan 0.000 0.443 297 T N 0.065 114.604 114.554 -0.025 0.000 2.788 297 T HA -0.136 4.219 4.350 0.008 0.000 0.268 297 T C 1.711 176.407 174.700 -0.006 0.000 1.044 297 T CA 1.645 63.731 62.100 -0.023 0.000 1.139 297 T CB -0.261 68.608 68.868 0.001 0.000 0.867 297 T HN 0.665 nan 8.240 nan 0.000 0.454 298 E N 0.560 120.791 120.200 0.052 0.000 2.077 298 E HA -0.098 4.257 4.350 0.008 0.000 0.193 298 E C 2.123 178.716 176.600 -0.013 0.000 0.989 298 E CA 0.787 57.265 56.400 0.130 0.000 0.800 298 E CB -0.247 29.634 29.700 0.302 0.000 0.746 298 E HN 0.237 nan 8.360 nan 0.000 0.452 299 L N 0.858 121.833 121.223 -0.413 0.000 2.046 299 L HA -0.149 4.196 4.340 0.008 0.000 0.208 299 L C 2.233 178.846 176.870 -0.429 0.000 1.077 299 L CA 1.666 55.945 54.840 -0.934 0.000 0.747 299 L CB -0.375 41.017 42.059 -1.112 0.000 0.896 299 L HN 0.167 nan 8.230 nan 0.000 0.432 300 M N -1.225 118.184 119.600 -0.319 0.000 2.108 300 M HA -0.279 4.206 4.480 0.008 0.000 0.261 300 M C 2.248 178.518 176.300 -0.050 0.000 1.066 300 M CA 1.904 57.057 55.300 -0.245 0.000 1.107 300 M CB -0.135 32.373 32.600 -0.154 0.000 1.356 300 M HN 0.431 nan 8.290 nan 0.000 0.406 301 Q N -0.769 119.045 119.800 0.023 0.000 2.050 301 Q HA -0.218 4.127 4.340 0.008 0.000 0.202 301 Q C 1.914 177.994 176.000 0.133 0.000 0.980 301 Q CA 2.010 57.880 55.803 0.110 0.000 0.840 301 Q CB -0.362 28.456 28.738 0.133 0.000 0.898 301 Q HN 0.571 nan 8.270 nan 0.000 0.424 302 F N 1.093 121.054 119.950 0.019 0.000 2.134 302 F HA -0.173 4.358 4.527 0.008 0.000 0.299 302 F C 1.761 177.577 175.800 0.026 0.000 1.097 302 F CA 1.155 59.207 58.000 0.088 0.000 1.264 302 F CB 0.025 39.162 39.000 0.228 0.000 1.001 302 F HN -0.026 nan 8.300 nan 0.000 0.479 303 L N -0.407 120.876 121.223 0.101 0.000 2.376 303 L HA -0.096 4.249 4.340 0.008 0.000 0.219 303 L C 1.541 178.394 176.870 -0.028 0.000 1.133 303 L CA 1.464 56.322 54.840 0.030 0.000 0.816 303 L CB -0.742 41.315 42.059 -0.003 0.000 0.933 303 L HN 0.306 nan 8.230 nan 0.000 0.449 304 T N -4.823 109.738 114.554 0.011 0.000 3.200 304 T HA 0.155 4.510 4.350 0.008 0.000 0.284 304 T C 0.690 175.439 174.700 0.081 0.000 1.009 304 T CA -0.112 62.049 62.100 0.102 0.000 0.907 304 T CB -0.031 68.973 68.868 0.228 0.000 1.120 304 T HN 0.188 nan 8.240 nan 0.000 0.534 305 S N 0.957 116.576 115.700 -0.134 0.000 2.580 305 S HA 0.254 4.729 4.470 0.008 0.000 0.266 305 S C 1.383 175.846 174.600 -0.229 0.000 1.354 305 S CA -0.618 57.467 58.200 -0.192 0.000 1.008 305 S CB 1.427 64.459 63.200 -0.280 0.000 0.898 305 S HN 0.393 nan 8.310 nan 0.000 0.555 306 K N 0.685 120.962 120.400 -0.204 0.000 2.044 306 K HA -0.205 4.120 4.320 0.008 0.000 0.210 306 K C 1.799 178.293 176.600 -0.177 0.000 1.049 306 K CA 2.083 58.264 56.287 -0.175 0.000 0.927 306 K CB -0.347 32.068 32.500 -0.143 0.000 0.713 306 K HN 0.734 nan 8.250 nan 0.000 0.443 307 E N 0.157 120.242 120.200 -0.192 0.000 2.072 307 E HA -0.132 4.223 4.350 0.008 0.000 0.191 307 E C 1.783 178.126 176.600 -0.429 0.000 0.985 307 E CA 1.329 57.642 56.400 -0.145 0.000 0.801 307 E CB -0.226 29.473 29.700 -0.002 0.000 0.750 307 E HN 0.434 nan 8.360 nan 0.000 0.452 308 A N 0.440 122.691 122.820 -0.947 0.000 1.898 308 A HA -0.100 4.225 4.320 0.008 0.000 0.216 308 A C 2.145 179.236 177.584 -0.823 0.000 1.181 308 A CA 1.072 52.064 52.037 -1.742 0.000 0.620 308 A CB -0.551 17.562 19.000 -1.478 0.000 0.819 308 A HN 0.205 nan 8.150 nan 0.000 0.442 309 L N -1.026 119.953 121.223 -0.407 0.000 2.240 309 L HA -0.044 4.301 4.340 0.008 0.000 0.211 309 L C 2.954 179.796 176.870 -0.047 0.000 1.106 309 L CA 0.645 55.385 54.840 -0.166 0.000 0.793 309 L CB -0.388 41.629 42.059 -0.069 0.000 0.927 309 L HN 0.438 nan 8.230 nan 0.000 0.446 310 A N -0.639 122.149 122.820 -0.052 0.000 1.898 310 A HA -0.209 4.116 4.320 0.008 0.000 0.216 310 A C 2.545 180.217 177.584 0.148 0.000 1.181 310 A CA 1.924 53.997 52.037 0.060 0.000 0.620 310 A CB -0.555 18.466 19.000 0.035 0.000 0.819 310 A HN 0.344 nan 8.150 nan 0.000 0.442 311 S N -0.625 115.151 115.700 0.127 0.000 2.368 311 S HA -0.198 4.277 4.470 0.008 0.000 0.224 311 S C 2.214 176.929 174.600 0.192 0.000 1.029 311 S CA 1.497 59.844 58.200 0.246 0.000 0.988 311 S CB -0.384 63.157 63.200 0.568 0.000 0.838 311 S HN 0.603 nan 8.310 nan 0.000 0.462 312 R N -0.715 119.847 120.500 0.104 0.000 2.091 312 R HA -0.113 4.232 4.340 0.008 0.000 0.238 312 R C 2.151 178.509 176.300 0.097 0.000 1.136 312 R CA 1.864 58.017 56.100 0.087 0.000 0.959 312 R CB -0.605 29.704 30.300 0.015 0.000 0.856 312 R HN 0.558 nan 8.270 nan 0.000 0.437 313 F N 1.629 121.579 119.950 0.001 0.000 2.102 313 F HA -0.156 4.377 4.527 0.010 0.000 0.298 313 F C 1.820 177.633 175.800 0.021 0.000 1.105 313 F CA 1.634 59.635 58.000 0.001 0.000 1.239 313 F CB -0.126 38.870 39.000 -0.005 0.000 0.991 313 F HN -0.106 nan 8.300 nan 0.000 0.474 314 K N -0.119 120.218 120.400 -0.104 0.000 2.103 314 K HA -0.254 4.071 4.320 0.008 0.000 0.207 314 K C 2.149 178.634 176.600 -0.191 0.000 1.048 314 K CA 1.993 58.168 56.287 -0.186 0.000 0.930 314 K CB -0.284 32.239 32.500 0.038 0.000 0.716 314 K HN 0.487 nan 8.250 nan 0.000 0.444 315 E N -0.188 119.961 120.200 -0.085 0.000 2.075 315 E HA -0.096 4.259 4.350 0.008 0.000 0.190 315 E C 1.854 178.408 176.600 -0.077 0.000 0.969 315 E CA 1.334 57.707 56.400 -0.044 0.000 0.815 315 E CB 0.284 30.009 29.700 0.041 0.000 0.776 315 E HN 0.317 nan 8.360 nan 0.000 0.457 316 T N -3.443 111.063 114.554 -0.080 0.000 3.044 316 T HA 0.216 4.572 4.350 0.008 0.000 0.255 316 T C 1.571 176.197 174.700 -0.123 0.000 1.073 316 T CA 0.812 62.873 62.100 -0.065 0.000 1.125 316 T CB 0.439 69.297 68.868 -0.016 0.000 0.908 316 T HN 0.341 nan 8.240 nan 0.000 0.480 317 G N 1.317 109.963 108.800 -0.258 0.000 2.179 317 G HA2 -0.226 3.739 3.960 0.008 0.000 0.260 317 G HA3 -0.226 3.739 3.960 0.008 0.000 0.260 317 G C -0.214 174.648 174.900 -0.065 0.000 0.977 317 G CA 0.170 45.077 45.100 -0.321 0.000 0.641 317 G HN 0.671 nan 8.290 nan 0.000 0.533 318 E N 0.134 120.349 120.200 0.024 0.000 2.229 318 E HA 0.448 4.803 4.350 0.008 0.000 0.283 318 E C 0.494 177.222 176.600 0.214 0.000 1.030 318 E CA -0.646 55.800 56.400 0.076 0.000 0.836 318 E CB 1.133 30.848 29.700 0.026 0.000 1.068 318 E HN 0.413 nan 8.360 nan 0.000 0.401 319 I N 5.866 126.516 120.570 0.134 0.000 2.505 319 I HA 0.075 4.250 4.170 0.008 0.000 0.287 319 I C -1.964 174.164 176.117 0.018 0.000 1.104 319 I CA -1.787 59.557 61.300 0.074 0.000 1.387 319 I CB 0.018 38.022 38.000 0.006 0.000 1.404 319 I HN 0.164 nan 8.210 nan 0.000 0.528 320 P HA 0.206 nan 4.420 nan 0.000 0.287 320 P C -2.428 174.875 177.300 0.004 0.000 1.281 320 P CA -2.061 61.041 63.100 0.004 0.000 0.781 320 P CB 0.552 32.258 31.700 0.010 0.000 0.903 321 P HA 0.099 nan 4.420 nan 0.000 0.220 321 P C 0.003 177.396 177.300 0.156 0.000 1.778 321 P CA 0.228 63.363 63.100 0.058 0.000 0.912 321 P CB 0.153 31.873 31.700 0.033 0.000 1.861 322 Q N 1.361 121.222 119.800 0.101 0.000 2.290 322 Q HA 0.175 4.520 4.340 0.008 0.000 0.259 322 Q C 0.977 176.944 176.000 -0.056 0.000 0.941 322 Q CA -0.383 55.437 55.803 0.027 0.000 0.912 322 Q CB 1.490 30.200 28.738 -0.048 0.000 1.244 322 Q HN 0.122 nan 8.270 nan 0.000 0.441 323 K N 2.426 122.775 120.400 -0.085 0.000 2.015 323 K HA -0.223 4.103 4.320 0.008 0.000 0.216 323 K C 1.440 177.993 176.600 -0.078 0.000 1.052 323 K CA 1.830 58.075 56.287 -0.069 0.000 0.937 323 K CB 0.233 32.688 32.500 -0.075 0.000 0.719 323 K HN 0.627 nan 8.250 nan 0.000 0.446 324 E N 0.592 120.731 120.200 -0.101 0.000 2.106 324 E HA -0.147 4.208 4.350 0.008 0.000 0.192 324 E C 2.108 178.655 176.600 -0.088 0.000 0.984 324 E CA 0.803 57.150 56.400 -0.089 0.000 0.806 324 E CB -0.019 29.624 29.700 -0.095 0.000 0.750 324 E HN 0.278 nan 8.360 nan 0.000 0.458 325 L N 0.473 121.636 121.223 -0.101 0.000 2.156 325 L HA -0.133 4.212 4.340 0.008 0.000 0.208 325 L C 2.371 179.158 176.870 -0.137 0.000 1.095 325 L CA 0.555 55.326 54.840 -0.116 0.000 0.770 325 L CB -0.234 41.756 42.059 -0.115 0.000 0.914 325 L HN 0.152 nan 8.230 nan 0.000 0.439 326 L N -0.225 120.934 121.223 -0.107 0.000 2.201 326 L HA -0.172 4.173 4.340 0.008 0.000 0.212 326 L C 1.319 178.136 176.870 -0.087 0.000 1.105 326 L CA 1.068 55.848 54.840 -0.100 0.000 0.775 326 L CB -0.329 41.694 42.059 -0.060 0.000 0.913 326 L HN 0.332 nan 8.230 nan 0.000 0.440 327 N N -1.511 117.144 118.700 -0.075 0.000 2.236 327 N HA -0.014 4.731 4.740 0.008 0.000 0.196 327 N C -0.073 175.401 175.510 -0.060 0.000 1.114 327 N CA -0.023 52.992 53.050 -0.059 0.000 0.859 327 N CB 0.092 38.552 38.487 -0.045 0.000 0.982 327 N HN 0.062 nan 8.380 nan 0.000 0.493 328 D N 1.480 121.833 120.400 -0.079 0.000 2.382 328 D HA 0.024 4.669 4.640 0.008 0.000 0.259 328 D C -1.370 174.890 176.300 -0.067 0.000 1.224 328 D CA -1.862 52.096 54.000 -0.070 0.000 0.894 328 D CB 1.276 42.025 40.800 -0.085 0.000 1.127 328 D HN 0.118 nan 8.370 nan 0.000 0.487 329 P HA -0.190 nan 4.420 nan 0.000 0.219 329 P C 1.731 179.024 177.300 -0.013 0.000 1.146 329 P CA 0.791 63.877 63.100 -0.023 0.000 0.808 329 P CB 0.126 31.820 31.700 -0.009 0.000 0.779 330 M N -1.131 118.465 119.600 -0.007 0.000 2.202 330 M HA -0.125 4.360 4.480 0.008 0.000 0.262 330 M C 1.753 178.067 176.300 0.023 0.000 1.063 330 M CA 1.864 57.183 55.300 0.031 0.000 1.097 330 M CB -0.250 32.380 32.600 0.050 0.000 1.382 330 M HN -0.148 nan 8.290 nan 0.000 0.413 331 I N -1.635 118.862 120.570 -0.120 0.000 3.194 331 I HA -0.111 4.064 4.170 0.008 0.000 0.271 331 I C 2.243 178.245 176.117 -0.191 0.000 1.150 331 I CA 0.244 61.335 61.300 -0.349 0.000 1.440 331 I CB -0.500 37.070 38.000 -0.716 0.000 1.276 331 I HN 0.121 nan 8.210 nan 0.000 0.457 332 K N 1.404 121.725 120.400 -0.133 0.000 2.032 332 K HA -0.158 4.168 4.320 0.008 0.000 0.209 332 K C 1.288 177.872 176.600 -0.026 0.000 1.048 332 K CA 1.729 57.972 56.287 -0.073 0.000 0.927 332 K CB 0.015 32.480 32.500 -0.058 0.000 0.712 332 K HN 0.253 nan 8.250 nan 0.000 0.441 333 N N 1.318 120.011 118.700 -0.012 0.000 2.322 333 N HA -0.071 4.674 4.740 0.008 0.000 0.194 333 N C -0.164 175.364 175.510 0.031 0.000 1.126 333 N CA 0.053 53.108 53.050 0.009 0.000 0.845 333 N CB -0.144 38.347 38.487 0.007 0.000 0.976 333 N HN 0.186 nan 8.380 nan 0.000 0.475 334 N N 2.597 121.328 118.700 0.052 0.000 2.434 334 N HA 0.032 4.777 4.740 0.008 0.000 0.268 334 N C -1.614 173.944 175.510 0.080 0.000 1.256 334 N CA -1.301 51.807 53.050 0.096 0.000 0.914 334 N CB 1.329 39.931 38.487 0.192 0.000 1.088 334 N HN -0.031 nan 8.380 nan 0.000 0.478 335 P HA -0.165 nan 4.420 nan 0.000 0.217 335 P C 1.363 178.674 177.300 0.019 0.000 1.148 335 P CA 0.814 63.931 63.100 0.027 0.000 0.828 335 P CB 0.388 32.098 31.700 0.016 0.000 0.783 336 V N -0.721 119.227 119.914 0.058 0.000 2.307 336 V HA -0.186 3.939 4.120 0.008 0.000 0.245 336 V C 2.460 178.660 176.094 0.177 0.000 1.045 336 V CA 1.733 64.084 62.300 0.084 0.000 1.024 336 V CB -1.192 30.717 31.823 0.143 0.000 0.651 336 V HN -0.033 nan 8.190 nan 0.000 0.449 337 V N 0.663 120.716 119.914 0.232 0.000 2.295 337 V HA -0.280 3.845 4.120 0.008 0.000 0.246 337 V C 2.326 178.519 176.094 0.165 0.000 1.049 337 V CA 2.410 64.872 62.300 0.270 0.000 1.024 337 V CB -1.117 30.814 31.823 0.181 0.000 0.648 337 V HN 0.677 nan 8.190 nan 0.000 0.447 338 N N 1.007 119.752 118.700 0.074 0.000 2.060 338 N HA -0.185 4.560 4.740 0.008 0.000 0.195 338 N C 1.833 177.339 175.510 -0.007 0.000 1.028 338 N CA 2.025 55.091 53.050 0.027 0.000 0.861 338 N CB -0.603 37.890 38.487 0.010 0.000 1.029 338 N HN 0.421 nan 8.380 nan 0.000 0.428 339 G N -1.211 107.542 108.800 -0.080 0.000 2.418 339 G HA2 -0.214 3.751 3.960 0.008 0.000 0.217 339 G HA3 -0.214 3.751 3.960 0.008 0.000 0.217 339 G C 1.170 175.945 174.900 -0.208 0.000 1.158 339 G CA 0.758 45.742 45.100 -0.194 0.000 0.771 339 G HN 0.325 nan 8.290 nan 0.000 0.545 340 F N 1.725 121.659 119.950 -0.025 0.000 2.146 340 F HA 0.115 4.647 4.527 0.008 0.000 0.298 340 F C 3.019 178.807 175.800 -0.020 0.000 1.096 340 F CA 0.719 58.698 58.000 -0.035 0.000 1.275 340 F CB -0.580 38.396 39.000 -0.040 0.000 1.008 340 F HN 0.241 nan 8.300 nan 0.000 0.480 341 A N -0.175 122.742 122.820 0.162 0.000 1.902 341 A HA -0.218 4.107 4.320 0.008 0.000 0.217 341 A C 2.179 179.794 177.584 0.051 0.000 1.181 341 A CA 1.769 53.858 52.037 0.086 0.000 0.623 341 A CB -0.638 18.394 19.000 0.053 0.000 0.818 341 A HN 0.201 nan 8.150 nan 0.000 0.443 342 K N -0.676 119.739 120.400 0.025 0.000 2.020 342 K HA -0.211 4.114 4.320 0.008 0.000 0.212 342 K C 2.359 178.963 176.600 0.005 0.000 1.050 342 K CA 1.963 58.252 56.287 0.004 0.000 0.929 342 K CB -0.318 32.169 32.500 -0.021 0.000 0.714 342 K HN 0.483 nan 8.250 nan 0.000 0.443 343 Q N 0.147 119.947 119.800 0.000 0.000 2.084 343 Q HA -0.024 4.321 4.340 0.008 0.000 0.202 343 Q C 1.849 177.869 176.000 0.035 0.000 0.978 343 Q CA 2.074 57.876 55.803 -0.002 0.000 0.844 343 Q CB -0.537 28.187 28.738 -0.023 0.000 0.898 343 Q HN 0.311 nan 8.270 nan 0.000 0.426 344 A N -0.078 122.783 122.820 0.068 0.000 1.978 344 A HA -0.190 4.135 4.320 0.008 0.000 0.220 344 A C 2.231 179.853 177.584 0.063 0.000 1.170 344 A CA 2.093 54.177 52.037 0.079 0.000 0.636 344 A CB -1.032 18.022 19.000 0.091 0.000 0.810 344 A HN 0.597 nan 8.150 nan 0.000 0.448 345 S N -0.642 115.086 115.700 0.047 0.000 2.442 345 S HA -0.094 4.381 4.470 0.008 0.000 0.236 345 S C 1.459 176.083 174.600 0.039 0.000 1.007 345 S CA 1.317 59.541 58.200 0.039 0.000 0.965 345 S CB -0.130 63.087 63.200 0.027 0.000 0.773 345 S HN 0.468 nan 8.310 nan 0.000 0.504 346 K N 1.343 121.766 120.400 0.037 0.000 2.374 346 K HA 0.328 4.654 4.320 0.008 0.000 0.196 346 K C 1.043 177.677 176.600 0.057 0.000 1.023 346 K CA 0.417 56.727 56.287 0.037 0.000 1.103 346 K CB 0.234 32.744 32.500 0.018 0.000 0.848 346 K HN 0.460 nan 8.250 nan 0.000 0.528 347 G N 1.011 109.856 108.800 0.075 0.000 2.535 347 G HA2 0.459 4.424 3.960 0.008 0.000 0.303 347 G HA3 0.459 4.424 3.960 0.008 0.000 0.303 347 G C -0.480 174.505 174.900 0.141 0.000 1.237 347 G CA -0.460 44.707 45.100 0.112 0.000 0.986 347 G HN -0.023 nan 8.290 nan 0.000 0.494 348 V N -2.439 117.593 119.914 0.196 0.000 2.735 348 V HA 0.694 4.819 4.120 0.008 0.000 0.310 348 V C -2.560 173.690 176.094 0.259 0.000 1.061 348 V CA -2.675 59.754 62.300 0.214 0.000 0.913 348 V CB 2.073 34.044 31.823 0.248 0.000 1.005 348 V HN 0.623 nan 8.190 nan 0.000 0.428 349 P HA 0.186 nan 4.420 nan 0.000 0.268 349 P C -0.087 177.395 177.300 0.304 0.000 1.205 349 P CA -0.118 63.135 63.100 0.256 0.000 0.771 349 P CB 0.576 32.371 31.700 0.158 0.000 0.858 350 M N 4.019 123.779 119.600 0.266 0.000 2.250 350 M HA 0.079 4.564 4.480 0.008 0.000 0.337 350 M C -1.832 174.502 176.300 0.058 0.000 1.161 350 M CA -0.952 54.276 55.300 -0.120 0.000 1.088 350 M CB -0.632 31.707 32.600 -0.435 0.000 1.639 350 M HN 0.212 nan 8.290 nan 0.000 0.447 351 P HA -0.012 nan 4.420 nan 0.000 0.267 351 P C -0.274 177.052 177.300 0.043 0.000 1.200 351 P CA 0.119 63.295 63.100 0.126 0.000 0.772 351 P CB 0.514 32.391 31.700 0.294 0.000 0.855 352 S N 0.799 116.537 115.700 0.063 0.000 2.780 352 S HA 0.183 4.658 4.470 0.008 0.000 0.248 352 S C 0.719 175.284 174.600 -0.058 0.000 1.036 352 S CA -0.516 57.695 58.200 0.017 0.000 1.061 352 S CB -0.919 62.367 63.200 0.143 0.000 1.037 352 S HN 0.441 nan 8.310 nan 0.000 0.584 353 I N -1.084 119.449 120.570 -0.062 0.000 2.836 353 I HA 0.347 4.522 4.170 0.008 0.000 0.285 353 I C -1.786 174.225 176.117 -0.178 0.000 1.174 353 I CA -1.927 59.308 61.300 -0.108 0.000 1.405 353 I CB 0.045 37.914 38.000 -0.218 0.000 1.385 353 I HN -0.187 nan 8.210 nan 0.000 0.594 354 P HA -0.231 nan 4.420 nan 0.000 0.217 354 P C 1.049 178.291 177.300 -0.097 0.000 1.151 354 P CA 1.601 64.598 63.100 -0.172 0.000 0.849 354 P CB -0.149 31.478 31.700 -0.121 0.000 0.787 355 E N -1.114 119.036 120.200 -0.083 0.000 2.409 355 E HA -0.131 4.224 4.350 0.008 0.000 0.198 355 E C 1.720 178.397 176.600 0.129 0.000 1.024 355 E CA 0.694 57.106 56.400 0.019 0.000 0.861 355 E CB -0.981 28.748 29.700 0.048 0.000 0.788 355 E HN 0.240 nan 8.360 nan 0.000 0.521 356 M N 1.718 121.377 119.600 0.098 0.000 2.279 356 M HA 0.029 4.514 4.480 0.008 0.000 0.264 356 M C 1.930 178.213 176.300 -0.029 0.000 1.062 356 M CA 1.449 56.782 55.300 0.055 0.000 1.099 356 M CB -0.621 32.001 32.600 0.036 0.000 1.394 356 M HN 0.156 nan 8.290 nan 0.000 0.426 357 G N -1.670 107.127 108.800 -0.005 0.000 2.708 357 G HA2 0.058 4.023 3.960 0.008 0.000 0.210 357 G HA3 0.058 4.023 3.960 0.008 0.000 0.210 357 G C 0.964 175.867 174.900 0.005 0.000 1.141 357 G CA 0.765 45.868 45.100 0.005 0.000 0.788 357 G HN 0.425 nan 8.290 nan 0.000 0.531 358 V N -0.560 119.348 119.914 -0.012 0.000 3.556 358 V HA 0.070 4.195 4.120 0.008 0.000 0.287 358 V C 2.319 178.377 176.094 -0.059 0.000 1.422 358 V CA 0.172 62.462 62.300 -0.017 0.000 1.038 358 V CB 1.008 32.828 31.823 -0.005 0.000 0.850 358 V HN 0.180 nan 8.190 nan 0.000 0.437 359 V N -0.648 119.175 119.914 -0.152 0.000 2.346 359 V HA -0.152 3.973 4.120 0.008 0.000 0.244 359 V C 2.070 178.021 176.094 -0.238 0.000 1.037 359 V CA 2.002 64.114 62.300 -0.313 0.000 1.029 359 V CB -0.512 30.962 31.823 -0.583 0.000 0.663 359 V HN 0.634 nan 8.190 nan 0.000 0.454 360 W N 0.577 121.862 121.300 -0.024 0.000 2.355 360 W HA -0.161 4.505 4.660 0.011 0.000 0.309 360 W C 2.565 179.080 176.519 -0.007 0.000 1.206 360 W CA 1.604 58.950 57.345 0.001 0.000 1.284 360 W CB -0.233 29.217 29.460 -0.017 0.000 1.145 360 W HN 0.240 nan 8.180 nan 0.000 0.502 361 E N 0.209 120.528 120.200 0.199 0.000 2.031 361 E HA -0.211 4.144 4.350 0.008 0.000 0.193 361 E C -0.456 176.186 176.600 0.071 0.000 0.994 361 E CA 1.774 58.237 56.400 0.106 0.000 0.800 361 E CB -1.091 28.645 29.700 0.060 0.000 0.752 361 E HN 0.001 nan 8.360 nan 0.000 0.447 362 P HA -0.143 nan 4.420 nan 0.000 0.215 362 P C 1.451 178.771 177.300 0.034 0.000 1.153 362 P CA 0.982 64.102 63.100 0.033 0.000 0.853 362 P CB -0.042 31.655 31.700 -0.005 0.000 0.788 363 I N -0.530 120.033 120.570 -0.012 0.000 2.252 363 I HA -0.200 3.975 4.170 0.008 0.000 0.245 363 I C 1.751 177.993 176.117 0.208 0.000 1.102 363 I CA 1.675 62.955 61.300 -0.033 0.000 1.385 363 I CB -0.851 36.941 38.000 -0.346 0.000 1.064 363 I HN -0.105 nan 8.210 nan 0.000 0.414 364 N N 0.058 118.886 118.700 0.213 0.000 2.188 364 N HA -0.163 4.582 4.740 0.008 0.000 0.184 364 N C 1.580 177.159 175.510 0.115 0.000 1.018 364 N CA 1.289 54.465 53.050 0.211 0.000 0.858 364 N CB -0.254 38.336 38.487 0.172 0.000 0.989 364 N HN 0.506 nan 8.380 nan 0.000 0.426 365 N N 0.828 119.545 118.700 0.030 0.000 2.104 365 N HA -0.133 4.612 4.740 0.008 0.000 0.190 365 N C 1.863 177.288 175.510 -0.143 0.000 1.024 365 N CA 0.807 53.769 53.050 -0.146 0.000 0.853 365 N CB -0.055 38.381 38.487 -0.085 0.000 1.008 365 N HN 0.217 nan 8.380 nan 0.000 0.424 366 A N 1.351 124.239 122.820 0.113 0.000 1.902 366 A HA -0.191 4.134 4.320 0.008 0.000 0.217 366 A C 1.775 179.435 177.584 0.127 0.000 1.181 366 A CA 1.227 53.383 52.037 0.199 0.000 0.623 366 A CB -0.802 18.264 19.000 0.110 0.000 0.818 366 A HN 0.390 nan 8.150 nan 0.000 0.443 367 H N -0.585 118.539 119.070 0.091 0.000 2.352 367 H HA -0.101 4.460 4.556 0.009 0.000 0.299 367 H C 2.302 177.604 175.328 -0.043 0.000 1.097 367 H CA 1.911 58.020 56.048 0.102 0.000 1.311 367 H CB -0.306 29.564 29.762 0.181 0.000 1.377 367 H HN 0.484 nan 8.280 nan 0.000 0.504 368 T N 0.837 115.381 114.554 -0.016 0.000 2.708 368 T HA -0.134 4.221 4.350 0.008 0.000 0.266 368 T C 1.961 176.554 174.700 -0.177 0.000 1.037 368 T CA 1.134 63.120 62.100 -0.190 0.000 1.146 368 T CB -0.580 68.101 68.868 -0.312 0.000 0.865 368 T HN 0.243 nan 8.240 nan 0.000 0.435 369 F N 1.300 121.234 119.950 -0.027 0.000 2.126 369 F HA -0.165 4.368 4.527 0.010 0.000 0.299 369 F C 2.646 178.412 175.800 -0.056 0.000 1.096 369 F CA 0.970 58.949 58.000 -0.036 0.000 1.255 369 F CB -0.632 38.357 39.000 -0.019 0.000 0.997 369 F HN 0.067 nan 8.300 nan 0.000 0.479 370 V N -1.680 118.305 119.914 0.118 0.000 2.453 370 V HA -0.075 4.050 4.120 0.008 0.000 0.247 370 V C 2.288 178.344 176.094 -0.064 0.000 1.048 370 V CA 1.381 63.706 62.300 0.041 0.000 1.049 370 V CB -1.414 30.436 31.823 0.045 0.000 0.672 370 V HN 0.201 nan 8.190 nan 0.000 0.457 371 A N -0.616 122.042 122.820 -0.270 0.000 1.933 371 A HA -0.183 4.142 4.320 0.008 0.000 0.218 371 A C 2.219 179.595 177.584 -0.346 0.000 1.175 371 A CA 1.831 53.431 52.037 -0.729 0.000 0.628 371 A CB -0.619 17.548 19.000 -1.389 0.000 0.814 371 A HN 0.568 nan 8.150 nan 0.000 0.444 372 Q N -1.426 118.273 119.800 -0.170 0.000 2.472 372 Q HA 0.086 4.431 4.340 0.008 0.000 0.208 372 Q C 1.151 177.156 176.000 0.009 0.000 0.958 372 Q CA 0.781 56.553 55.803 -0.051 0.000 0.932 372 Q CB -0.041 28.691 28.738 -0.010 0.000 1.007 372 Q HN 0.961 nan 8.270 nan 0.000 0.508 373 G N 1.360 110.170 108.800 0.016 0.000 2.176 373 G HA2 -0.272 3.693 3.960 0.008 0.000 0.252 373 G HA3 -0.272 3.693 3.960 0.008 0.000 0.252 373 G C 0.877 175.803 174.900 0.044 0.000 1.024 373 G CA 0.672 45.795 45.100 0.039 0.000 0.755 373 G HN 0.234 nan 8.290 nan 0.000 0.507 374 K N -0.767 119.672 120.400 0.066 0.000 2.244 374 K HA 0.120 4.445 4.320 0.008 0.000 0.200 374 K C 1.157 177.763 176.600 0.009 0.000 1.052 374 K CA 0.861 57.184 56.287 0.060 0.000 0.980 374 K CB 0.391 32.974 32.500 0.140 0.000 0.838 374 K HN 0.629 nan 8.250 nan 0.000 0.481 375 Q N 0.458 120.274 119.800 0.027 0.000 2.397 375 Q HA 0.188 4.533 4.340 0.008 0.000 0.275 375 Q C -0.751 175.257 176.000 0.013 0.000 1.090 375 Q CA -0.586 55.202 55.803 -0.026 0.000 0.809 375 Q CB 2.290 30.961 28.738 -0.112 0.000 1.362 375 Q HN 0.107 nan 8.270 nan 0.000 0.431 376 T N -1.962 112.589 114.554 -0.005 0.000 2.860 376 T HA 0.169 4.524 4.350 0.008 0.000 0.299 376 T C -1.929 172.777 174.700 0.011 0.000 1.045 376 T CA -1.373 60.731 62.100 0.007 0.000 1.071 376 T CB 0.501 69.367 68.868 -0.004 0.000 0.985 376 T HN 0.237 nan 8.240 nan 0.000 0.537 377 P HA -0.186 nan 4.420 nan 0.000 0.216 377 P C 1.529 178.831 177.300 0.003 0.000 1.157 377 P CA 1.440 64.544 63.100 0.006 0.000 0.880 377 P CB 0.054 31.750 31.700 -0.008 0.000 0.791 378 E N -0.637 119.560 120.200 -0.005 0.000 2.031 378 E HA -0.294 4.061 4.350 0.008 0.000 0.193 378 E C 2.172 178.765 176.600 -0.013 0.000 0.994 378 E CA 1.232 57.627 56.400 -0.008 0.000 0.800 378 E CB -0.307 29.386 29.700 -0.012 0.000 0.752 378 E HN -0.008 nan 8.360 nan 0.000 0.447 379 Q N 0.545 120.332 119.800 -0.021 0.000 2.084 379 Q HA -0.100 4.245 4.340 0.008 0.000 0.202 379 Q C 1.887 177.864 176.000 -0.038 0.000 0.978 379 Q CA 2.104 57.884 55.803 -0.038 0.000 0.844 379 Q CB -0.557 28.147 28.738 -0.057 0.000 0.898 379 Q HN 0.375 nan 8.270 nan 0.000 0.426 380 A N -0.063 122.748 122.820 -0.015 0.000 1.902 380 A HA -0.144 4.181 4.320 0.008 0.000 0.217 380 A C 2.119 179.722 177.584 0.031 0.000 1.181 380 A CA 1.508 53.563 52.037 0.032 0.000 0.623 380 A CB -0.762 18.296 19.000 0.097 0.000 0.818 380 A HN 0.439 nan 8.150 nan 0.000 0.443 381 L N -0.537 120.693 121.223 0.012 0.000 2.109 381 L HA -0.150 4.195 4.340 0.008 0.000 0.207 381 L C 2.286 179.145 176.870 -0.017 0.000 1.086 381 L CA 0.962 55.800 54.840 -0.004 0.000 0.760 381 L CB -0.615 41.451 42.059 0.013 0.000 0.910 381 L HN 0.339 nan 8.230 nan 0.000 0.437 382 N N 0.204 118.894 118.700 -0.016 0.000 2.084 382 N HA -0.180 4.565 4.740 0.008 0.000 0.190 382 N C 1.449 176.945 175.510 -0.023 0.000 1.030 382 N CA 1.400 54.437 53.050 -0.021 0.000 0.849 382 N CB -0.356 38.118 38.487 -0.022 0.000 1.012 382 N HN 0.265 nan 8.380 nan 0.000 0.423 383 D N 0.697 121.082 120.400 -0.024 0.000 2.117 383 D HA -0.048 4.597 4.640 0.008 0.000 0.197 383 D C 1.826 178.124 176.300 -0.004 0.000 0.987 383 D CA 1.140 55.127 54.000 -0.022 0.000 0.829 383 D CB -0.376 40.398 40.800 -0.043 0.000 0.961 383 D HN 0.233 nan 8.370 nan 0.000 0.460 384 A N 0.573 123.395 122.820 0.004 0.000 1.877 384 A HA -0.142 4.183 4.320 0.008 0.000 0.216 384 A C 2.518 180.080 177.584 -0.036 0.000 1.186 384 A CA 1.357 53.392 52.037 -0.003 0.000 0.620 384 A CB -0.783 18.207 19.000 -0.016 0.000 0.822 384 A HN 0.153 nan 8.150 nan 0.000 0.443 385 V N 0.210 120.094 119.914 -0.050 0.000 2.427 385 V HA -0.238 3.887 4.120 0.008 0.000 0.248 385 V C 2.503 178.578 176.094 -0.032 0.000 1.051 385 V CA 2.263 64.528 62.300 -0.057 0.000 1.048 385 V CB -0.650 31.138 31.823 -0.059 0.000 0.666 385 V HN 0.668 nan 8.190 nan 0.000 0.456 386 K N 0.037 120.423 120.400 -0.022 0.000 2.032 386 K HA -0.187 4.138 4.320 0.008 0.000 0.209 386 K C 2.139 178.734 176.600 -0.010 0.000 1.048 386 K CA 1.631 57.910 56.287 -0.014 0.000 0.927 386 K CB -0.131 32.361 32.500 -0.013 0.000 0.712 386 K HN 0.270 nan 8.250 nan 0.000 0.441 387 I N 1.376 121.941 120.570 -0.008 0.000 2.163 387 I HA -0.304 3.871 4.170 0.008 0.000 0.243 387 I C 2.399 178.512 176.117 -0.007 0.000 1.085 387 I CA 1.538 62.837 61.300 -0.002 0.000 1.347 387 I CB -0.973 37.033 38.000 0.010 0.000 1.044 387 I HN 0.362 nan 8.210 nan 0.000 0.408 388 M N 0.237 119.826 119.600 -0.020 0.000 2.065 388 M HA -0.257 4.228 4.480 0.008 0.000 0.259 388 M C 2.283 178.580 176.300 -0.004 0.000 1.069 388 M CA 1.959 57.245 55.300 -0.023 0.000 1.110 388 M CB -0.519 32.048 32.600 -0.055 0.000 1.328 388 M HN 0.119 nan 8.290 nan 0.000 0.405 389 K N 0.116 120.515 120.400 -0.002 0.000 2.057 389 K HA -0.171 4.154 4.320 0.008 0.000 0.207 389 K C 1.860 178.465 176.600 0.007 0.000 1.049 389 K CA 1.521 57.813 56.287 0.009 0.000 0.931 389 K CB -0.217 32.287 32.500 0.007 0.000 0.714 389 K HN 0.428 nan 8.250 nan 0.000 0.440 390 E N 0.667 120.869 120.200 0.002 0.000 2.077 390 E HA -0.158 4.197 4.350 0.008 0.000 0.193 390 E C 1.964 178.566 176.600 0.002 0.000 0.989 390 E CA 0.952 57.353 56.400 0.002 0.000 0.800 390 E CB 0.129 29.830 29.700 0.001 0.000 0.746 390 E HN 0.132 nan 8.360 nan 0.000 0.452 391 K N 0.575 120.976 120.400 0.002 0.000 2.148 391 K HA -0.085 4.240 4.320 0.008 0.000 0.204 391 K C 2.109 178.710 176.600 0.002 0.000 1.050 391 K CA 0.732 57.020 56.287 0.001 0.000 0.942 391 K CB -0.197 32.302 32.500 -0.001 0.000 0.724 391 K HN 0.232 nan 8.250 nan 0.000 0.446 392 I N 1.016 121.590 120.570 0.006 0.000 2.361 392 I HA -0.252 3.923 4.170 0.008 0.000 0.251 392 I C 1.527 177.647 176.117 0.005 0.000 1.133 392 I CA 1.073 62.378 61.300 0.009 0.000 1.413 392 I CB -0.147 37.866 38.000 0.021 0.000 1.073 392 I HN 0.042 nan 8.210 nan 0.000 0.424 393 Q N 0.158 119.961 119.800 0.005 0.000 2.431 393 Q HA -0.036 4.309 4.340 0.008 0.000 0.210 393 Q C 1.251 177.252 176.000 0.002 0.000 0.958 393 Q CA 0.893 56.698 55.803 0.004 0.000 0.957 393 Q CB -0.245 28.495 28.738 0.004 0.000 1.007 393 Q HN 0.562 nan 8.270 nan 0.000 0.511 394 T N -4.733 109.821 114.554 0.000 0.000 3.170 394 T HA 0.407 4.762 4.350 0.008 0.000 0.288 394 T C 0.596 175.294 174.700 -0.003 0.000 0.992 394 T CA -0.263 61.836 62.100 -0.001 0.000 0.909 394 T CB 0.161 69.028 68.868 -0.002 0.000 1.133 394 T HN -0.051 nan 8.240 nan 0.000 0.530 395 M N 1.226 120.824 119.600 -0.004 0.000 2.278 395 M HA 0.492 4.977 4.480 0.008 0.000 0.227 395 M C 0.388 176.685 176.300 -0.006 0.000 1.138 395 M CA -0.758 54.537 55.300 -0.008 0.000 1.014 395 M CB 0.684 33.277 32.600 -0.012 0.000 1.289 395 M HN 0.081 nan 8.290 nan 0.000 0.567 396 K N -0.178 120.216 120.400 -0.009 0.000 1.970 396 K HA -0.206 4.119 4.320 0.008 0.000 0.407 396 K C -0.373 176.228 176.600 0.001 0.000 1.724 396 K CA 0.948 57.233 56.287 -0.004 0.000 0.807 396 K CB -0.840 31.661 32.500 0.001 0.000 1.153 396 K HN 0.540 nan 8.250 nan 0.000 0.789 397 Q N 0.000 119.803 119.800 0.006 0.000 2.315 397 Q HA 0.000 4.345 4.340 0.008 0.000 0.214 397 Q CA 0.000 55.808 55.803 0.008 0.000 1.022 397 Q CB 0.000 28.744 28.738 0.011 0.000 1.108 397 Q HN 0.000 nan 8.270 nan 0.000 0.481