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 1ke4_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.449 177.584 -0.225 0.000 1.274 4 A CA 0.000 51.907 52.037 -0.216 0.000 0.836 4 A CB 0.000 18.819 19.000 -0.302 0.000 0.831 5 P HA 0.082 nan 4.420 nan 0.000 0.267 5 P C 0.742 177.940 177.300 -0.170 0.000 1.201 5 P CA -0.140 62.831 63.100 -0.216 0.000 0.775 5 P CB 0.578 32.116 31.700 -0.270 0.000 0.854 6 Q N 2.243 121.981 119.800 -0.103 0.000 2.135 6 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 6 Q C 1.689 177.641 176.000 -0.079 0.000 0.981 6 Q CA 1.790 57.553 55.803 -0.066 0.000 0.856 6 Q CB -0.100 28.614 28.738 -0.041 0.000 0.902 6 Q HN 0.569 nan 8.270 nan 0.000 0.425 7 Q N -0.181 119.547 119.800 -0.121 0.000 2.170 7 Q HA -0.144 4.196 4.340 -0.000 0.000 0.203 7 Q C 2.054 177.957 176.000 -0.161 0.000 0.976 7 Q CA 1.368 57.091 55.803 -0.132 0.000 0.858 7 Q CB -0.568 28.075 28.738 -0.159 0.000 0.907 7 Q HN 0.500 nan 8.270 nan 0.000 0.433 8 I N 1.457 121.893 120.570 -0.224 0.000 2.233 8 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 8 I C 2.086 178.172 176.117 -0.051 0.000 1.093 8 I CA 0.839 62.026 61.300 -0.189 0.000 1.380 8 I CB -0.422 37.422 38.000 -0.260 0.000 1.067 8 I HN 0.160 nan 8.210 nan 0.000 0.413 9 N N 0.941 119.659 118.700 0.031 0.000 2.094 9 N HA -0.251 4.489 4.740 -0.000 0.000 0.191 9 N C 1.511 177.072 175.510 0.086 0.000 1.023 9 N CA 1.858 54.991 53.050 0.138 0.000 0.857 9 N CB -0.484 38.058 38.487 0.092 0.000 1.013 9 N HN 0.375 nan 8.380 nan 0.000 0.426 10 D N 0.278 120.701 120.400 0.039 0.000 2.084 10 D HA -0.099 4.541 4.640 -0.000 0.000 0.194 10 D C 1.892 178.218 176.300 0.043 0.000 0.990 10 D CA 0.583 54.618 54.000 0.057 0.000 0.826 10 D CB -0.163 40.648 40.800 0.018 0.000 0.971 10 D HN 0.103 nan 8.370 nan 0.000 0.453 11 I N -0.241 120.320 120.570 -0.015 0.000 2.353 11 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 11 I C 2.052 178.150 176.117 -0.033 0.000 1.119 11 I CA 0.789 62.071 61.300 -0.030 0.000 1.417 11 I CB -0.214 37.751 38.000 -0.060 0.000 1.078 11 I HN -0.021 nan 8.210 nan 0.000 0.421 12 V N 0.208 120.072 119.914 -0.084 0.000 2.295 12 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 12 V C 2.558 178.704 176.094 0.088 0.000 1.049 12 V CA 2.285 64.506 62.300 -0.132 0.000 1.024 12 V CB -1.110 30.362 31.823 -0.585 0.000 0.648 12 V HN 0.532 nan 8.190 nan 0.000 0.447 13 H N 0.790 119.890 119.070 0.049 0.000 2.353 13 H HA -0.086 4.470 4.556 -0.000 0.000 0.300 13 H C 2.397 177.777 175.328 0.087 0.000 1.090 13 H CA 1.874 58.013 56.048 0.151 0.000 1.327 13 H CB -0.099 29.741 29.762 0.130 0.000 1.383 13 H HN 0.277 nan 8.280 nan 0.000 0.508 14 R N -1.118 119.387 120.500 0.009 0.000 2.235 14 R HA -0.008 4.332 4.340 -0.000 0.000 0.213 14 R C 1.622 177.883 176.300 -0.064 0.000 1.059 14 R CA 1.446 57.495 56.100 -0.084 0.000 0.997 14 R CB 0.275 30.552 30.300 -0.038 0.000 0.884 14 R HN 0.340 nan 8.270 nan 0.000 0.462 15 T N 0.390 114.925 114.554 -0.032 0.000 2.988 15 T HA 0.111 4.461 4.350 -0.000 0.000 0.240 15 T C 1.725 176.379 174.700 -0.077 0.000 1.014 15 T CA 0.279 62.358 62.100 -0.035 0.000 1.155 15 T CB 0.202 69.065 68.868 -0.008 0.000 0.872 15 T HN -0.044 nan 8.240 nan 0.000 0.440 16 I N 2.179 122.689 120.570 -0.100 0.000 2.333 16 I HA -0.056 4.114 4.170 -0.000 0.000 0.246 16 I C 2.609 178.478 176.117 -0.414 0.000 1.106 16 I CA 1.342 62.473 61.300 -0.282 0.000 1.411 16 I CB -1.839 35.911 38.000 -0.416 0.000 1.082 16 I HN 0.245 nan 8.210 nan 0.000 0.420 17 T N 2.111 116.538 114.554 -0.212 0.000 2.699 17 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 17 T C -0.311 174.279 174.700 -0.183 0.000 1.036 17 T CA 1.687 63.694 62.100 -0.155 0.000 1.147 17 T CB -1.312 67.684 68.868 0.214 0.000 0.862 17 T HN 0.238 nan 8.240 nan 0.000 0.446 18 P HA 0.069 nan 4.420 nan 0.000 0.220 18 P C 1.613 178.829 177.300 -0.140 0.000 1.152 18 P CA 0.338 63.364 63.100 -0.124 0.000 0.812 18 P CB -0.132 31.508 31.700 -0.099 0.000 0.792 19 L N -0.598 120.520 121.223 -0.174 0.000 2.046 19 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 19 L C 2.044 178.757 176.870 -0.260 0.000 1.077 19 L CA 1.823 56.552 54.840 -0.186 0.000 0.747 19 L CB -1.115 40.832 42.059 -0.187 0.000 0.896 19 L HN -0.128 nan 8.230 nan 0.000 0.432 20 I N -0.499 119.876 120.570 -0.324 0.000 2.286 20 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 20 I C 2.360 178.357 176.117 -0.200 0.000 1.115 20 I CA 0.934 62.042 61.300 -0.321 0.000 1.392 20 I CB -0.367 37.392 38.000 -0.402 0.000 1.065 20 I HN 0.316 nan 8.210 nan 0.000 0.418 21 E N 0.533 120.641 120.200 -0.153 0.000 2.072 21 E HA -0.207 4.143 4.350 -0.000 0.000 0.190 21 E C 2.167 178.716 176.600 -0.086 0.000 0.982 21 E CA 1.116 57.460 56.400 -0.094 0.000 0.803 21 E CB -0.265 29.395 29.700 -0.067 0.000 0.755 21 E HN 0.582 nan 8.360 nan 0.000 0.453 22 Q N 0.154 119.897 119.800 -0.094 0.000 2.119 22 Q HA -0.089 4.251 4.340 -0.000 0.000 0.201 22 Q C 1.805 177.765 176.000 -0.068 0.000 0.972 22 Q CA 0.959 56.721 55.803 -0.069 0.000 0.847 22 Q CB 0.145 28.848 28.738 -0.059 0.000 0.903 22 Q HN 0.150 nan 8.270 nan 0.000 0.433 23 Q N 0.059 119.791 119.800 -0.114 0.000 2.319 23 Q HA 0.088 4.428 4.340 -0.000 0.000 0.202 23 Q C -0.362 175.582 176.000 -0.094 0.000 0.896 23 Q CA 0.170 55.909 55.803 -0.106 0.000 0.942 23 Q CB 0.714 29.313 28.738 -0.232 0.000 1.083 23 Q HN 0.264 nan 8.270 nan 0.000 0.510 24 K N 0.826 121.168 120.400 -0.096 0.000 3.150 24 K HA -0.172 4.148 4.320 -0.000 0.000 0.267 24 K C -0.540 176.016 176.600 -0.073 0.000 1.028 24 K CA 0.219 56.463 56.287 -0.071 0.000 0.753 24 K CB -1.949 30.526 32.500 -0.041 0.000 1.288 24 K HN 0.251 nan 8.250 nan 0.000 0.473 25 I N 0.974 121.473 120.570 -0.118 0.000 2.452 25 I HA 0.010 4.180 4.170 -0.000 0.000 0.287 25 I C -0.916 175.187 176.117 -0.024 0.000 1.079 25 I CA -2.036 59.212 61.300 -0.087 0.000 1.387 25 I CB 0.739 38.623 38.000 -0.194 0.000 1.404 25 I HN 0.022 nan 8.210 nan 0.000 0.522 26 P HA -0.051 nan 4.420 nan 0.000 0.216 26 P C 0.436 177.812 177.300 0.126 0.000 1.153 26 P CA 0.621 63.739 63.100 0.030 0.000 0.848 26 P CB 0.256 31.924 31.700 -0.054 0.000 0.787 27 G N -1.673 107.259 108.800 0.220 0.000 2.696 27 G HA2 0.695 4.655 3.960 -0.000 0.000 0.295 27 G HA3 0.695 4.655 3.960 -0.000 0.000 0.295 27 G C -1.913 173.235 174.900 0.412 0.000 1.398 27 G CA -0.408 44.886 45.100 0.323 0.000 0.920 27 G HN 0.068 nan 8.290 nan 0.000 0.492 28 M N 0.767 120.655 119.600 0.480 0.000 2.414 28 M HA 0.691 5.171 4.480 -0.000 0.000 0.287 28 M C -1.611 175.023 176.300 0.556 0.000 1.181 28 M CA -0.534 55.021 55.300 0.425 0.000 0.933 28 M CB 2.201 34.901 32.600 0.167 0.000 1.732 28 M HN 1.121 nan 8.290 nan 0.000 0.486 29 A N 3.216 126.228 122.820 0.319 0.000 2.414 29 A HA 0.900 5.220 4.320 -0.000 0.000 0.306 29 A C -1.777 176.017 177.584 0.349 0.000 1.054 29 A CA -0.620 51.642 52.037 0.374 0.000 0.724 29 A CB 1.880 21.033 19.000 0.255 0.000 1.267 29 A HN 0.641 nan 8.150 nan 0.000 0.418 30 V N 0.635 120.866 119.914 0.529 0.000 2.841 30 V HA 0.824 4.944 4.120 -0.000 0.000 0.310 30 V C 0.016 176.434 176.094 0.541 0.000 1.090 30 V CA -0.186 62.402 62.300 0.479 0.000 0.930 30 V CB 1.971 34.105 31.823 0.520 0.000 1.014 30 V HN 1.497 nan 8.190 nan 0.000 0.425 31 A N 3.471 126.529 122.820 0.397 0.000 2.371 31 A HA 0.908 5.228 4.320 -0.000 0.000 0.311 31 A C -1.272 176.462 177.584 0.250 0.000 1.068 31 A CA -0.573 51.647 52.037 0.306 0.000 0.744 31 A CB 1.906 21.041 19.000 0.224 0.000 1.239 31 A HN 0.670 nan 8.150 nan 0.000 0.435 32 V N 3.075 123.154 119.914 0.276 0.000 2.495 32 V HA 0.413 4.533 4.120 -0.000 0.000 0.298 32 V C -0.969 175.244 176.094 0.198 0.000 1.031 32 V CA -0.324 62.121 62.300 0.241 0.000 0.871 32 V CB 1.519 33.519 31.823 0.294 0.000 0.988 32 V HN 0.734 nan 8.190 nan 0.000 0.432 33 I N 5.673 126.319 120.570 0.127 0.000 2.339 33 I HA 0.404 4.574 4.170 -0.000 0.000 0.290 33 I C -0.813 175.415 176.117 0.184 0.000 0.994 33 I CA -0.346 61.000 61.300 0.076 0.000 1.191 33 I CB 1.073 39.054 38.000 -0.032 0.000 1.343 33 I HN 0.577 nan 8.210 nan 0.000 0.458 34 Y N 5.394 125.766 120.300 0.120 0.000 2.338 34 Y HA 0.347 4.897 4.550 0.000 0.000 0.333 34 Y C 0.161 176.112 175.900 0.085 0.000 0.968 34 Y CA -0.969 57.198 58.100 0.112 0.000 1.123 34 Y CB 1.206 39.768 38.460 0.170 0.000 1.165 34 Y HN 0.699 nan 8.280 nan 0.000 0.452 35 Q N 4.532 124.052 119.800 -0.466 0.000 2.453 35 Q HA -0.273 4.067 4.340 -0.000 0.000 0.294 35 Q C 1.107 177.005 176.000 -0.170 0.000 1.295 35 Q CA 1.178 56.758 55.803 -0.371 0.000 0.853 35 Q CB -1.693 26.765 28.738 -0.467 0.000 1.193 35 Q HN 1.404 nan 8.270 nan 0.000 0.461 36 G N -2.524 106.197 108.800 -0.132 0.000 2.234 36 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.260 36 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.260 36 G C 0.188 175.028 174.900 -0.100 0.000 0.987 36 G CA 0.822 45.855 45.100 -0.112 0.000 0.625 36 G HN 0.839 nan 8.290 nan 0.000 0.532 37 K N 1.526 121.879 120.400 -0.079 0.000 2.138 37 K HA 0.852 5.172 4.320 -0.000 0.000 0.263 37 K C -2.492 173.899 176.600 -0.348 0.000 0.965 37 K CA -1.361 54.812 56.287 -0.189 0.000 0.868 37 K CB 1.662 34.054 32.500 -0.180 0.000 1.083 37 K HN 0.290 nan 8.250 nan 0.000 0.443 38 P HA 0.445 nan 4.420 nan 0.000 0.288 38 P C -1.395 175.231 177.300 -1.123 0.000 1.267 38 P CA -0.349 62.376 63.100 -0.625 0.000 0.815 38 P CB 0.497 31.895 31.700 -0.504 0.000 0.989 39 Y N 1.096 121.105 120.300 -0.484 0.000 2.406 39 Y HA 0.441 4.991 4.550 -0.000 0.000 0.340 39 Y C -0.110 175.406 175.900 -0.640 0.000 0.975 39 Y CA -0.578 57.243 58.100 -0.465 0.000 1.056 39 Y CB 1.899 40.281 38.460 -0.131 0.000 1.210 39 Y HN 0.286 nan 8.280 nan 0.000 0.448 40 Y N 2.376 122.489 120.300 -0.312 0.000 2.446 40 Y HA 0.707 5.257 4.550 -0.000 0.000 0.338 40 Y C -1.019 174.448 175.900 -0.721 0.000 1.055 40 Y CA -1.551 56.389 58.100 -0.266 0.000 1.101 40 Y CB 1.389 39.777 38.460 -0.120 0.000 1.221 40 Y HN 0.362 nan 8.280 nan 0.000 0.460 41 F N 0.019 120.069 119.950 0.166 0.000 2.591 41 F HA 0.672 5.199 4.527 -0.000 0.000 0.309 41 F C -0.304 175.381 175.800 -0.192 0.000 1.098 41 F CA -0.996 56.922 58.000 -0.137 0.000 0.937 41 F CB 2.382 41.294 39.000 -0.146 0.000 1.250 41 F HN 0.412 nan 8.300 nan 0.000 0.447 42 T N -1.529 112.821 114.554 -0.341 0.000 2.903 42 T HA 0.695 5.045 4.350 -0.000 0.000 0.299 42 T C -1.637 172.903 174.700 -0.267 0.000 1.093 42 T CA -0.774 61.283 62.100 -0.072 0.000 1.002 42 T CB 1.938 70.844 68.868 0.064 0.000 1.127 42 T HN 0.619 nan 8.240 nan 0.000 0.488 43 W N 0.278 121.667 121.300 0.147 0.000 3.217 43 W HA 0.500 5.160 4.660 -0.000 0.000 0.323 43 W C 0.753 177.300 176.519 0.048 0.000 1.216 43 W CA -0.177 57.217 57.345 0.081 0.000 1.194 43 W CB 1.731 31.238 29.460 0.079 0.000 1.397 43 W HN 1.409 nan 8.180 nan 0.000 0.537 44 G N 1.369 110.260 108.800 0.151 0.000 2.601 44 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.252 44 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.252 44 G C -1.528 173.331 174.900 -0.068 0.000 1.294 44 G CA -0.325 44.731 45.100 -0.074 0.000 0.912 44 G HN 0.556 nan 8.290 nan 0.000 0.574 45 Y N 0.013 120.412 120.300 0.166 0.000 2.429 45 Y HA 0.563 5.113 4.550 -0.000 0.000 0.342 45 Y C 1.356 177.375 175.900 0.198 0.000 1.004 45 Y CA -0.422 57.770 58.100 0.153 0.000 1.075 45 Y CB 1.990 40.510 38.460 0.100 0.000 1.214 45 Y HN 0.804 nan 8.280 nan 0.000 0.455 46 A N 0.932 123.968 122.820 0.361 0.000 1.970 46 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 46 A C 0.238 178.028 177.584 0.343 0.000 1.170 46 A CA 1.318 53.505 52.037 0.250 0.000 0.645 46 A CB 0.063 19.146 19.000 0.139 0.000 0.816 46 A HN 0.680 nan 8.150 nan 0.000 0.447 47 D N -1.161 119.436 120.400 0.328 0.000 2.602 47 D HA 0.413 5.053 4.640 -0.000 0.000 0.245 47 D C 0.583 176.948 176.300 0.108 0.000 1.325 47 D CA -0.443 53.759 54.000 0.338 0.000 0.952 47 D CB 0.892 41.869 40.800 0.295 0.000 1.317 47 D HN 0.131 nan 8.370 nan 0.000 0.577 48 I N 2.261 122.895 120.570 0.107 0.000 2.202 48 I HA -0.168 4.002 4.170 -0.000 0.000 0.242 48 I C 2.486 178.470 176.117 -0.221 0.000 1.091 48 I CA 1.054 62.268 61.300 -0.144 0.000 1.368 48 I CB -0.118 37.758 38.000 -0.207 0.000 1.058 48 I HN 0.429 nan 8.210 nan 0.000 0.410 49 A N 1.152 123.904 122.820 -0.112 0.000 1.908 49 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 49 A C 2.471 179.976 177.584 -0.133 0.000 1.181 49 A CA 2.570 54.536 52.037 -0.119 0.000 0.627 49 A CB -0.871 18.067 19.000 -0.103 0.000 0.818 49 A HN 0.409 nan 8.150 nan 0.000 0.445 50 K N -0.232 120.103 120.400 -0.110 0.000 2.444 50 K HA 0.211 4.531 4.320 -0.000 0.000 0.193 50 K C 0.739 177.229 176.600 -0.183 0.000 1.024 50 K CA 0.768 56.998 56.287 -0.096 0.000 1.077 50 K CB -0.814 31.676 32.500 -0.017 0.000 0.833 50 K HN 0.600 nan 8.250 nan 0.000 0.517 51 K N 0.746 120.908 120.400 -0.396 0.000 3.156 51 K HA -0.224 4.096 4.320 -0.000 0.000 0.266 51 K C -0.093 176.284 176.600 -0.373 0.000 0.966 51 K CA 0.790 56.559 56.287 -0.864 0.000 0.719 51 K CB -1.627 30.483 32.500 -0.649 0.000 1.333 51 K HN 0.803 nan 8.250 nan 0.000 0.468 52 Q N 1.348 121.073 119.800 -0.125 0.000 2.294 52 Q HA 0.205 4.545 4.340 -0.000 0.000 0.257 52 Q C -2.132 174.037 176.000 0.282 0.000 0.955 52 Q CA -2.063 53.792 55.803 0.087 0.000 0.936 52 Q CB 1.072 29.866 28.738 0.094 0.000 1.188 52 Q HN 0.034 nan 8.270 nan 0.000 0.420 53 P HA 0.024 nan 4.420 nan 0.000 0.276 53 P C -0.602 176.837 177.300 0.231 0.000 1.252 53 P CA -0.321 62.977 63.100 0.330 0.000 0.802 53 P CB 0.997 32.827 31.700 0.218 0.000 1.035 54 V N 1.823 121.878 119.914 0.235 0.000 2.614 54 V HA 0.291 4.411 4.120 -0.000 0.000 0.291 54 V C 1.190 177.392 176.094 0.180 0.000 1.049 54 V CA 0.625 63.072 62.300 0.246 0.000 1.038 54 V CB 0.566 32.614 31.823 0.375 0.000 0.980 54 V HN 0.906 nan 8.190 nan 0.000 0.481 55 T N 1.192 115.836 114.554 0.151 0.000 2.716 55 T HA 0.342 4.692 4.350 -0.000 0.000 0.286 55 T C 0.432 175.171 174.700 0.065 0.000 1.052 55 T CA -0.695 61.451 62.100 0.077 0.000 1.024 55 T CB 1.638 70.526 68.868 0.034 0.000 1.349 55 T HN 0.401 nan 8.240 nan 0.000 0.525 56 Q N -0.372 119.406 119.800 -0.036 0.000 2.437 56 Q HA -0.004 4.336 4.340 -0.000 0.000 0.210 56 Q C 1.474 177.409 176.000 -0.107 0.000 0.972 56 Q CA 0.852 56.580 55.803 -0.125 0.000 0.903 56 Q CB 0.052 28.621 28.738 -0.282 0.000 0.967 56 Q HN 0.444 nan 8.270 nan 0.000 0.486 57 Q N -0.594 119.156 119.800 -0.082 0.000 2.282 57 Q HA 0.098 4.438 4.340 -0.000 0.000 0.206 57 Q C 0.010 175.991 176.000 -0.033 0.000 0.878 57 Q CA 0.295 56.020 55.803 -0.129 0.000 0.944 57 Q CB 0.866 29.505 28.738 -0.165 0.000 1.100 57 Q HN 0.149 nan 8.270 nan 0.000 0.509 58 T N 2.036 116.623 114.554 0.055 0.000 2.834 58 T HA 0.254 4.604 4.350 -0.000 0.000 0.298 58 T C 0.187 174.934 174.700 0.078 0.000 0.966 58 T CA -0.040 62.089 62.100 0.049 0.000 1.141 58 T CB 0.354 69.258 68.868 0.059 0.000 0.905 58 T HN 0.004 nan 8.240 nan 0.000 0.535 59 L N 4.367 125.583 121.223 -0.012 0.000 2.292 59 L HA 0.537 4.877 4.340 -0.000 0.000 0.284 59 L C -0.372 176.464 176.870 -0.057 0.000 1.065 59 L CA -0.294 54.547 54.840 0.002 0.000 0.806 59 L CB 0.392 42.366 42.059 -0.141 0.000 1.175 59 L HN 0.514 nan 8.230 nan 0.000 0.431 60 F N 0.338 120.290 119.950 0.004 0.000 2.538 60 F HA 0.421 4.948 4.527 -0.000 0.000 0.325 60 F C 0.480 176.032 175.800 -0.415 0.000 1.066 60 F CA -0.911 57.044 58.000 -0.074 0.000 0.946 60 F CB 1.341 40.452 39.000 0.185 0.000 1.199 60 F HN 0.399 nan 8.300 nan 0.000 0.473 61 E N 2.475 122.156 120.200 -0.865 0.000 2.290 61 E HA 0.168 4.518 4.350 -0.000 0.000 0.277 61 E C 0.470 176.979 176.600 -0.152 0.000 1.035 61 E CA -0.048 56.016 56.400 -0.561 0.000 0.873 61 E CB 0.854 30.109 29.700 -0.741 0.000 1.029 61 E HN 0.609 nan 8.360 nan 0.000 0.419 62 L N 2.840 124.050 121.223 -0.022 0.000 2.418 62 L HA 0.069 4.409 4.340 -0.000 0.000 0.218 62 L C 1.405 178.368 176.870 0.155 0.000 1.125 62 L CA 0.480 55.380 54.840 0.100 0.000 0.835 62 L CB -0.828 41.293 42.059 0.102 0.000 0.953 62 L HN 0.893 nan 8.230 nan 0.000 0.454 63 G N 0.439 109.332 108.800 0.156 0.000 2.574 63 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.286 63 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.286 63 G C 0.793 175.842 174.900 0.250 0.000 1.212 63 G CA 0.304 45.534 45.100 0.216 0.000 0.979 63 G HN 0.188 nan 8.290 nan 0.000 0.557 64 S N -0.221 115.628 115.700 0.247 0.000 2.500 64 S HA 0.009 4.479 4.470 -0.000 0.000 0.239 64 S C 2.363 177.100 174.600 0.228 0.000 0.989 64 S CA 1.314 59.677 58.200 0.272 0.000 0.951 64 S CB -0.135 63.262 63.200 0.329 0.000 0.759 64 S HN 0.767 nan 8.310 nan 0.000 0.523 65 V N 1.608 121.644 119.914 0.204 0.000 2.720 65 V HA -0.134 3.986 4.120 -0.000 0.000 0.256 65 V C 2.129 178.355 176.094 0.221 0.000 1.082 65 V CA 1.443 63.848 62.300 0.174 0.000 1.101 65 V CB -0.787 31.163 31.823 0.211 0.000 0.693 65 V HN 0.460 nan 8.190 nan 0.000 0.479 66 S N -0.143 115.705 115.700 0.246 0.000 2.419 66 S HA -0.230 4.240 4.470 -0.000 0.000 0.235 66 S C 1.886 176.656 174.600 0.284 0.000 1.019 66 S CA 1.259 59.632 58.200 0.289 0.000 0.982 66 S CB -0.280 63.019 63.200 0.165 0.000 0.789 66 S HN 0.642 nan 8.310 nan 0.000 0.490 67 K N 0.981 121.500 120.400 0.199 0.000 2.281 67 K HA -0.103 4.217 4.320 -0.000 0.000 0.203 67 K C 2.376 179.019 176.600 0.072 0.000 1.046 67 K CA 1.564 57.947 56.287 0.161 0.000 0.938 67 K CB -0.459 32.151 32.500 0.185 0.000 0.737 67 K HN 0.629 nan 8.250 nan 0.000 0.458 68 T N -1.489 113.024 114.554 -0.067 0.000 2.904 68 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 68 T C 1.726 176.452 174.700 0.043 0.000 1.059 68 T CA 0.665 62.545 62.100 -0.366 0.000 1.137 68 T CB -0.326 67.922 68.868 -1.033 0.000 0.879 68 T HN 0.035 nan 8.240 nan 0.000 0.467 69 F N 2.128 122.150 119.950 0.121 0.000 2.206 69 F HA 0.063 4.590 4.527 0.000 0.000 0.298 69 F C 2.971 178.842 175.800 0.118 0.000 1.090 69 F CA 1.196 59.236 58.000 0.067 0.000 1.323 69 F CB -0.992 37.922 39.000 -0.144 0.000 1.028 69 F HN 0.128 nan 8.300 nan 0.000 0.492 70 T N -0.572 114.187 114.554 0.343 0.000 2.746 70 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 70 T C 2.376 177.268 174.700 0.320 0.000 1.039 70 T CA 1.379 63.688 62.100 0.349 0.000 1.142 70 T CB -0.974 68.097 68.868 0.338 0.000 0.866 70 T HN 0.438 nan 8.240 nan 0.000 0.444 71 G N 0.944 109.894 108.800 0.250 0.000 2.418 71 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.217 71 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.217 71 G C 1.678 176.733 174.900 0.258 0.000 1.158 71 G CA 0.767 46.004 45.100 0.228 0.000 0.771 71 G HN 0.436 nan 8.290 nan 0.000 0.545 72 V N 0.509 120.588 119.914 0.274 0.000 2.515 72 V HA -0.070 4.050 4.120 -0.000 0.000 0.250 72 V C 2.631 178.845 176.094 0.200 0.000 1.058 72 V CA 1.412 63.878 62.300 0.278 0.000 1.064 72 V CB -0.173 31.901 31.823 0.417 0.000 0.675 72 V HN 0.344 nan 8.190 nan 0.000 0.461 73 L N 1.238 122.557 121.223 0.161 0.000 2.093 73 L HA 0.042 4.382 4.340 -0.000 0.000 0.208 73 L C 2.291 179.183 176.870 0.036 0.000 1.085 73 L CA 2.318 57.178 54.840 0.033 0.000 0.755 73 L CB -1.142 40.862 42.059 -0.092 0.000 0.904 73 L HN 0.251 nan 8.230 nan 0.000 0.435 74 G N -1.106 107.776 108.800 0.136 0.000 2.402 74 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 74 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 74 G C 1.520 176.524 174.900 0.174 0.000 1.162 74 G CA 0.491 45.683 45.100 0.154 0.000 0.777 74 G HN 0.568 nan 8.290 nan 0.000 0.539 75 G N 0.657 109.571 108.800 0.189 0.000 2.422 75 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 75 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 75 G C 1.444 176.400 174.900 0.094 0.000 1.146 75 G CA 1.387 46.576 45.100 0.148 0.000 0.769 75 G HN 0.505 nan 8.290 nan 0.000 0.547 76 D N 0.462 120.906 120.400 0.073 0.000 2.144 76 D HA 0.065 4.705 4.640 -0.000 0.000 0.200 76 D C 2.641 178.946 176.300 0.009 0.000 0.978 76 D CA 1.355 55.376 54.000 0.035 0.000 0.833 76 D CB -0.254 40.558 40.800 0.020 0.000 0.961 76 D HN 0.238 nan 8.370 nan 0.000 0.470 77 A N -0.074 122.740 122.820 -0.010 0.000 1.969 77 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 77 A C 2.280 179.859 177.584 -0.009 0.000 1.169 77 A CA 0.848 52.862 52.037 -0.037 0.000 0.635 77 A CB -0.668 18.275 19.000 -0.095 0.000 0.810 77 A HN 0.379 nan 8.150 nan 0.000 0.445 78 I N -0.263 120.322 120.570 0.025 0.000 2.252 78 I HA -0.245 3.924 4.170 -0.000 0.000 0.245 78 I C 2.932 179.072 176.117 0.038 0.000 1.102 78 I CA 1.033 62.359 61.300 0.044 0.000 1.385 78 I CB -0.310 37.737 38.000 0.078 0.000 1.064 78 I HN 0.330 nan 8.210 nan 0.000 0.414 79 A N 0.794 123.636 122.820 0.036 0.000 1.933 79 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 79 A C 2.296 179.890 177.584 0.017 0.000 1.175 79 A CA 1.373 53.427 52.037 0.028 0.000 0.628 79 A CB -0.542 18.474 19.000 0.027 0.000 0.814 79 A HN 0.340 nan 8.150 nan 0.000 0.444 80 R N -1.322 119.184 120.500 0.009 0.000 2.323 80 R HA 0.146 4.486 4.340 -0.000 0.000 0.198 80 R C 1.299 177.603 176.300 0.008 0.000 0.988 80 R CA 0.515 56.616 56.100 0.002 0.000 1.041 80 R CB -0.216 30.077 30.300 -0.011 0.000 0.926 80 R HN 0.696 nan 8.270 nan 0.000 0.476 81 G N 1.078 109.888 108.800 0.017 0.000 2.155 81 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.257 81 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.257 81 G C 0.533 175.453 174.900 0.034 0.000 0.983 81 G CA 0.596 45.712 45.100 0.027 0.000 0.676 81 G HN 0.456 nan 8.290 nan 0.000 0.528 82 E N -0.581 119.632 120.200 0.021 0.000 2.230 82 E HA 0.268 4.618 4.350 -0.000 0.000 0.192 82 E C 1.473 178.108 176.600 0.059 0.000 0.987 82 E CA 1.129 57.546 56.400 0.027 0.000 0.841 82 E CB 0.157 29.848 29.700 -0.015 0.000 0.783 82 E HN 0.907 nan 8.360 nan 0.000 0.481 83 I N -2.815 117.769 120.570 0.024 0.000 3.095 83 I HA 0.490 4.660 4.170 -0.000 0.000 0.310 83 I C -1.410 174.752 176.117 0.074 0.000 1.196 83 I CA -1.286 60.027 61.300 0.022 0.000 0.985 83 I CB 2.286 40.127 38.000 -0.264 0.000 1.250 83 I HN -0.354 nan 8.210 nan 0.000 0.446 84 K N 2.784 123.267 120.400 0.138 0.000 2.422 84 K HA 0.508 4.828 4.320 -0.000 0.000 0.251 84 K C -0.024 176.651 176.600 0.126 0.000 0.933 84 K CA -0.794 55.566 56.287 0.121 0.000 0.798 84 K CB 2.992 35.567 32.500 0.125 0.000 1.238 84 K HN 0.607 nan 8.250 nan 0.000 0.428 85 L N 1.048 122.326 121.223 0.091 0.000 2.376 85 L HA -0.136 4.203 4.340 -0.000 0.000 0.219 85 L C 1.926 178.826 176.870 0.050 0.000 1.133 85 L CA 1.169 56.044 54.840 0.059 0.000 0.816 85 L CB -0.230 41.819 42.059 -0.018 0.000 0.933 85 L HN 0.718 nan 8.230 nan 0.000 0.449 86 S N -2.773 112.969 115.700 0.070 0.000 2.562 86 S HA 0.016 4.485 4.470 -0.000 0.000 0.221 86 S C 0.590 175.251 174.600 0.103 0.000 0.975 86 S CA -0.275 57.963 58.200 0.063 0.000 0.918 86 S CB -0.261 62.975 63.200 0.059 0.000 0.772 86 S HN 0.209 nan 8.310 nan 0.000 0.531 87 D N 3.617 124.113 120.400 0.160 0.000 2.341 87 D HA 0.373 5.013 4.640 -0.000 0.000 0.245 87 D C -2.653 173.785 176.300 0.229 0.000 1.106 87 D CA -1.734 52.386 54.000 0.201 0.000 0.905 87 D CB 0.790 41.782 40.800 0.319 0.000 1.202 87 D HN 0.130 nan 8.370 nan 0.000 0.426 88 P HA 0.050 nan 4.420 nan 0.000 0.268 88 P C 0.731 178.180 177.300 0.249 0.000 1.205 88 P CA -0.037 63.181 63.100 0.198 0.000 0.771 88 P CB 0.580 32.359 31.700 0.130 0.000 0.858 89 T N 0.675 115.408 114.554 0.299 0.000 2.759 89 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 89 T C 1.531 176.364 174.700 0.223 0.000 1.042 89 T CA 1.905 64.188 62.100 0.305 0.000 1.140 89 T CB -0.844 68.214 68.868 0.318 0.000 0.864 89 T HN 0.474 nan 8.240 nan 0.000 0.455 90 T N 1.373 116.012 114.554 0.141 0.000 2.977 90 T HA -0.051 4.299 4.350 -0.000 0.000 0.271 90 T C 1.791 176.488 174.700 -0.004 0.000 1.105 90 T CA 0.849 62.981 62.100 0.053 0.000 1.116 90 T CB -0.132 68.758 68.868 0.037 0.000 0.878 90 T HN 0.430 nan 8.240 nan 0.000 0.509 91 K N 0.106 120.447 120.400 -0.099 0.000 2.283 91 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 91 K C 0.827 177.097 176.600 -0.550 0.000 1.048 91 K CA 1.157 57.216 56.287 -0.380 0.000 0.948 91 K CB 0.013 32.147 32.500 -0.610 0.000 0.742 91 K HN 0.474 nan 8.250 nan 0.000 0.458 92 Y N -2.704 117.633 120.300 0.061 0.000 2.445 92 Y HA 0.147 4.696 4.550 -0.000 0.000 0.247 92 Y C 0.134 176.083 175.900 0.081 0.000 1.129 92 Y CA -0.775 57.343 58.100 0.030 0.000 1.251 92 Y CB 0.655 39.100 38.460 -0.024 0.000 1.176 92 Y HN 0.090 nan 8.280 nan 0.000 0.522 93 W N 2.673 123.965 121.300 -0.013 0.000 2.036 93 W HA 0.425 5.085 4.660 -0.000 0.000 0.294 93 W C -2.519 173.944 176.519 -0.093 0.000 0.948 93 W CA -3.680 53.620 57.345 -0.075 0.000 1.774 93 W CB 0.869 30.236 29.460 -0.154 0.000 1.950 93 W HN -0.085 nan 8.180 nan 0.000 0.384 94 P HA -0.206 nan 4.420 nan 0.000 0.217 94 P C 1.631 178.894 177.300 -0.062 0.000 1.148 94 P CA 3.278 66.394 63.100 0.027 0.000 0.828 94 P CB 0.154 31.876 31.700 0.037 0.000 0.783 95 E N -0.670 119.470 120.200 -0.100 0.000 2.418 95 E HA -0.066 4.284 4.350 -0.000 0.000 0.197 95 E C 1.031 177.327 176.600 -0.505 0.000 1.026 95 E CA 0.313 56.565 56.400 -0.247 0.000 0.862 95 E CB -1.187 28.422 29.700 -0.152 0.000 0.799 95 E HN 0.130 nan 8.360 nan 0.000 0.518 96 L N 2.505 123.286 121.223 -0.737 0.000 2.387 96 L HA 0.254 4.594 4.340 -0.000 0.000 0.267 96 L C 1.450 178.095 176.870 -0.375 0.000 1.197 96 L CA 0.907 55.263 54.840 -0.806 0.000 1.070 96 L CB 0.322 41.707 42.059 -1.123 0.000 1.349 96 L HN 0.196 nan 8.230 nan 0.000 0.422 97 T N -0.136 114.284 114.554 -0.222 0.000 3.044 97 T HA 0.359 4.709 4.350 -0.000 0.000 0.250 97 T C 0.944 175.659 174.700 0.025 0.000 1.081 97 T CA 0.232 62.289 62.100 -0.072 0.000 1.040 97 T CB -0.023 68.807 68.868 -0.063 0.000 0.962 97 T HN 0.550 nan 8.240 nan 0.000 0.506 98 A N 2.793 125.655 122.820 0.070 0.000 2.561 98 A HA 0.238 4.558 4.320 -0.000 0.000 0.234 98 A C 1.643 179.349 177.584 0.205 0.000 1.055 98 A CA 0.055 52.184 52.037 0.154 0.000 0.756 98 A CB 0.191 19.326 19.000 0.224 0.000 0.986 98 A HN 0.670 nan 8.150 nan 0.000 0.505 99 K N 1.680 122.144 120.400 0.106 0.000 2.211 99 K HA -0.230 4.090 4.320 -0.000 0.000 0.204 99 K C 1.431 178.063 176.600 0.054 0.000 1.047 99 K CA 1.539 57.871 56.287 0.074 0.000 0.935 99 K CB -0.098 32.417 32.500 0.025 0.000 0.728 99 K HN 0.820 nan 8.250 nan 0.000 0.452 100 Q N 0.323 120.125 119.800 0.003 0.000 2.437 100 Q HA -0.145 4.195 4.340 -0.000 0.000 0.210 100 Q C 0.782 176.673 176.000 -0.181 0.000 0.972 100 Q CA 1.041 56.751 55.803 -0.155 0.000 0.903 100 Q CB -0.364 28.170 28.738 -0.340 0.000 0.967 100 Q HN 0.592 nan 8.270 nan 0.000 0.486 101 W N 1.583 122.941 121.300 0.096 0.000 3.139 101 W HA 0.183 4.843 4.660 -0.000 0.000 0.260 101 W C 0.033 176.620 176.519 0.114 0.000 1.312 101 W CA -0.567 56.862 57.345 0.139 0.000 1.606 101 W CB 0.103 29.627 29.460 0.106 0.000 1.118 101 W HN 0.053 nan 8.180 nan 0.000 0.675 102 N N 0.324 119.155 118.700 0.218 0.000 2.440 102 N HA 0.319 5.059 4.740 -0.000 0.000 0.265 102 N C 1.008 176.606 175.510 0.147 0.000 1.239 102 N CA 1.878 55.027 53.050 0.165 0.000 0.909 102 N CB 0.647 39.197 38.487 0.105 0.000 1.066 102 N HN 0.175 nan 8.380 nan 0.000 0.474 103 G N 1.970 110.879 108.800 0.182 0.000 2.213 103 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.236 103 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.236 103 G C 0.106 175.180 174.900 0.289 0.000 0.991 103 G CA -0.429 44.789 45.100 0.196 0.000 0.629 103 G HN 0.515 nan 8.290 nan 0.000 0.517 104 I N 3.057 123.816 120.570 0.314 0.000 2.312 104 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 104 I C 1.150 177.562 176.117 0.492 0.000 1.031 104 I CA 0.136 61.703 61.300 0.445 0.000 1.293 104 I CB 1.213 39.418 38.000 0.342 0.000 1.403 104 I HN 0.312 nan 8.210 nan 0.000 0.484 105 T N 3.017 117.885 114.554 0.524 0.000 2.923 105 T HA 0.463 4.813 4.350 -0.000 0.000 0.281 105 T C 1.202 176.032 174.700 0.215 0.000 0.995 105 T CA -0.874 61.373 62.100 0.246 0.000 0.985 105 T CB 1.410 70.298 68.868 0.033 0.000 1.114 105 T HN 0.422 nan 8.240 nan 0.000 0.548 106 L N 0.301 121.643 121.223 0.198 0.000 2.131 106 L HA -0.018 4.322 4.340 -0.000 0.000 0.210 106 L C 2.536 179.430 176.870 0.039 0.000 1.092 106 L CA 0.843 55.815 54.840 0.220 0.000 0.759 106 L CB -0.823 41.397 42.059 0.269 0.000 0.903 106 L HN 0.584 nan 8.230 nan 0.000 0.435 107 L N -0.275 120.904 121.223 -0.074 0.000 2.012 107 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 107 L C 2.413 179.236 176.870 -0.077 0.000 1.073 107 L CA 1.970 56.694 54.840 -0.193 0.000 0.748 107 L CB -0.661 41.287 42.059 -0.186 0.000 0.891 107 L HN 0.235 nan 8.230 nan 0.000 0.431 108 H N -1.119 118.017 119.070 0.111 0.000 2.353 108 H HA -0.142 4.414 4.556 -0.000 0.000 0.300 108 H C 2.239 177.570 175.328 0.005 0.000 1.090 108 H CA 1.651 57.756 56.048 0.094 0.000 1.327 108 H CB -0.150 29.691 29.762 0.133 0.000 1.383 108 H HN 0.323 nan 8.280 nan 0.000 0.508 109 L N 0.140 121.456 121.223 0.155 0.000 2.017 109 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 109 L C 2.835 179.630 176.870 -0.125 0.000 1.073 109 L CA 0.844 55.737 54.840 0.089 0.000 0.745 109 L CB -0.492 41.688 42.059 0.201 0.000 0.894 109 L HN 0.344 nan 8.230 nan 0.000 0.432 110 A N -0.293 122.279 122.820 -0.414 0.000 2.019 110 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 110 A C 2.073 179.238 177.584 -0.697 0.000 1.164 110 A CA 2.084 53.617 52.037 -0.841 0.000 0.644 110 A CB -0.699 17.377 19.000 -1.539 0.000 0.805 110 A HN 0.534 nan 8.150 nan 0.000 0.449 111 T N -6.657 107.606 114.554 -0.485 0.000 3.129 111 T HA 0.333 4.683 4.350 -0.000 0.000 0.267 111 T C 0.183 174.666 174.700 -0.363 0.000 1.018 111 T CA 0.170 62.004 62.100 -0.442 0.000 0.903 111 T CB -0.463 68.443 68.868 0.063 0.000 1.067 111 T HN 0.650 nan 8.240 nan 0.000 0.549 112 Y N 1.001 121.282 120.300 -0.031 0.000 4.272 112 Y HA -0.248 4.302 4.550 0.000 0.000 0.232 112 Y C 1.185 177.040 175.900 -0.074 0.000 1.149 112 Y CA 0.496 58.576 58.100 -0.033 0.000 1.961 112 Y CB -3.154 35.301 38.460 -0.008 0.000 1.611 112 Y HN 0.610 nan 8.280 nan 0.000 0.682 113 T N -4.458 110.082 114.554 -0.023 0.000 3.215 113 T HA 0.686 5.036 4.350 -0.000 0.000 0.271 113 T C 1.461 176.106 174.700 -0.091 0.000 1.012 113 T CA 0.186 62.185 62.100 -0.168 0.000 0.899 113 T CB 0.569 69.089 68.868 -0.580 0.000 1.089 113 T HN 0.486 nan 8.240 nan 0.000 0.552 114 A N 1.348 124.183 122.820 0.024 0.000 2.066 114 A HA 0.568 4.888 4.320 -0.000 0.000 0.218 114 A C 1.873 179.516 177.584 0.099 0.000 1.157 114 A CA 0.643 52.681 52.037 0.002 0.000 0.670 114 A CB -0.756 18.247 19.000 0.005 0.000 0.804 114 A HN 1.451 nan 8.150 nan 0.000 0.453 115 G N -3.065 105.870 108.800 0.225 0.000 2.245 115 G HA2 0.416 4.376 3.960 -0.000 0.000 0.116 115 G HA3 0.416 4.376 3.960 -0.000 0.000 0.116 115 G C 0.954 176.174 174.900 0.534 0.000 1.054 115 G CA 0.327 45.659 45.100 0.387 0.000 0.728 115 G HN 1.966 nan 8.290 nan 0.000 0.483 116 G N -0.849 108.288 108.800 0.561 0.000 2.167 116 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.194 116 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.194 116 G C 0.427 175.592 174.900 0.442 0.000 1.027 116 G CA 0.022 45.409 45.100 0.479 0.000 0.717 116 G HN 1.239 nan 8.290 nan 0.000 0.501 117 L N 1.812 123.148 121.223 0.188 0.000 2.485 117 L HA 0.275 4.615 4.340 -0.000 0.000 0.275 117 L C -0.758 176.181 176.870 0.115 0.000 1.207 117 L CA -1.337 53.420 54.840 -0.139 0.000 0.855 117 L CB 0.438 42.339 42.059 -0.263 0.000 1.114 117 L HN 0.112 nan 8.230 nan 0.000 0.485 118 P HA -0.051 nan 4.420 nan 0.000 0.272 118 P C 0.536 177.914 177.300 0.129 0.000 1.223 118 P CA -0.489 62.720 63.100 0.181 0.000 0.784 118 P CB 1.041 32.881 31.700 0.233 0.000 0.923 119 L N 0.927 122.216 121.223 0.109 0.000 2.043 119 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 119 L C 0.826 177.732 176.870 0.060 0.000 1.075 119 L CA 2.064 56.950 54.840 0.077 0.000 0.752 119 L CB -0.593 41.523 42.059 0.096 0.000 0.891 119 L HN 0.387 nan 8.230 nan 0.000 0.432 120 Q N -0.891 118.942 119.800 0.056 0.000 2.413 120 Q HA 0.425 4.765 4.340 -0.000 0.000 0.276 120 Q C -0.948 175.034 176.000 -0.031 0.000 1.099 120 Q CA -0.856 54.962 55.803 0.025 0.000 0.814 120 Q CB 2.157 30.897 28.738 0.003 0.000 1.379 120 Q HN -0.110 nan 8.270 nan 0.000 0.436 121 V N 2.783 122.640 119.914 -0.095 0.000 2.583 121 V HA 0.191 4.311 4.120 -0.000 0.000 0.287 121 V C -1.998 173.904 176.094 -0.321 0.000 1.051 121 V CA -1.272 60.809 62.300 -0.365 0.000 1.010 121 V CB 0.636 32.283 31.823 -0.293 0.000 0.988 121 V HN 0.591 nan 8.190 nan 0.000 0.478 122 P HA 0.021 nan 4.420 nan 0.000 0.265 122 P C 0.534 177.737 177.300 -0.161 0.000 1.187 122 P CA 0.087 63.051 63.100 -0.226 0.000 0.766 122 P CB 0.456 32.025 31.700 -0.217 0.000 0.820 123 D N 1.717 122.069 120.400 -0.079 0.000 2.264 123 D HA -0.126 4.514 4.640 -0.000 0.000 0.208 123 D C 1.019 177.295 176.300 -0.040 0.000 0.966 123 D CA 1.252 55.225 54.000 -0.044 0.000 0.864 123 D CB 0.136 40.927 40.800 -0.016 0.000 0.933 123 D HN 0.488 nan 8.370 nan 0.000 0.499 124 E N -0.181 119.992 120.200 -0.045 0.000 2.482 124 E HA 0.002 4.352 4.350 -0.000 0.000 0.196 124 E C 0.283 176.863 176.600 -0.034 0.000 1.047 124 E CA 0.005 56.389 56.400 -0.026 0.000 0.869 124 E CB 0.425 30.117 29.700 -0.013 0.000 0.836 124 E HN -0.013 nan 8.360 nan 0.000 0.520 125 V N 0.991 120.859 119.914 -0.077 0.000 2.389 125 V HA 0.334 4.454 4.120 -0.000 0.000 0.264 125 V C 0.909 176.976 176.094 -0.045 0.000 1.049 125 V CA 0.712 62.966 62.300 -0.077 0.000 0.932 125 V CB 0.631 32.333 31.823 -0.202 0.000 1.011 125 V HN 0.278 nan 8.190 nan 0.000 0.475 126 K N 3.708 124.103 120.400 -0.008 0.000 2.448 126 K HA 0.332 4.652 4.320 -0.000 0.000 0.220 126 K C 1.226 177.835 176.600 0.015 0.000 1.259 126 K CA 0.685 56.973 56.287 0.001 0.000 0.810 126 K CB -0.471 32.033 32.500 0.007 0.000 1.540 126 K HN 0.756 nan 8.250 nan 0.000 0.434 127 S N 0.975 116.691 115.700 0.027 0.000 2.580 127 S HA 0.087 4.557 4.470 -0.000 0.000 0.266 127 S C 1.252 175.891 174.600 0.065 0.000 1.354 127 S CA 0.286 58.509 58.200 0.039 0.000 1.008 127 S CB 1.157 64.382 63.200 0.042 0.000 0.898 127 S HN 0.427 nan 8.310 nan 0.000 0.555 128 S N 1.131 116.871 115.700 0.066 0.000 2.399 128 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 128 S C 2.092 176.789 174.600 0.161 0.000 1.022 128 S CA 1.225 59.486 58.200 0.102 0.000 0.983 128 S CB -0.735 62.509 63.200 0.073 0.000 0.803 128 S HN 0.802 nan 8.310 nan 0.000 0.480 129 S N 1.367 117.139 115.700 0.119 0.000 2.368 129 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 129 S C 1.453 176.131 174.600 0.129 0.000 1.029 129 S CA 1.187 59.458 58.200 0.118 0.000 0.988 129 S CB -0.447 62.801 63.200 0.079 0.000 0.838 129 S HN 0.407 nan 8.310 nan 0.000 0.462 130 D N 0.941 121.409 120.400 0.113 0.000 2.178 130 D HA -0.047 4.593 4.640 -0.000 0.000 0.202 130 D C 1.845 178.252 176.300 0.178 0.000 0.974 130 D CA 0.565 54.634 54.000 0.114 0.000 0.841 130 D CB -0.362 40.479 40.800 0.068 0.000 0.953 130 D HN 0.319 nan 8.370 nan 0.000 0.478 131 L N 0.629 121.985 121.223 0.222 0.000 2.027 131 L HA -0.095 4.245 4.340 -0.000 0.000 0.206 131 L C 2.173 179.356 176.870 0.522 0.000 1.074 131 L CA 1.075 56.134 54.840 0.364 0.000 0.745 131 L CB -0.599 41.677 42.059 0.363 0.000 0.898 131 L HN -0.007 nan 8.230 nan 0.000 0.433 132 L N -0.400 121.093 121.223 0.450 0.000 2.046 132 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 132 L C 2.678 179.613 176.870 0.107 0.000 1.077 132 L CA 1.875 56.850 54.840 0.225 0.000 0.747 132 L CB -0.678 41.459 42.059 0.130 0.000 0.896 132 L HN 0.278 nan 8.230 nan 0.000 0.432 133 R N -1.478 119.108 120.500 0.143 0.000 2.081 133 R HA -0.235 4.104 4.340 -0.000 0.000 0.235 133 R C 2.315 178.703 176.300 0.147 0.000 1.131 133 R CA 1.934 58.102 56.100 0.113 0.000 0.960 133 R CB -0.602 29.766 30.300 0.113 0.000 0.856 133 R HN 0.473 nan 8.270 nan 0.000 0.436 134 F N 0.164 120.138 119.950 0.040 0.000 2.095 134 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 134 F C 1.416 177.231 175.800 0.025 0.000 1.104 134 F CA 1.561 59.545 58.000 -0.027 0.000 1.232 134 F CB -0.579 38.323 39.000 -0.164 0.000 0.987 134 F HN 0.025 nan 8.300 nan 0.000 0.475 135 Y N 0.385 120.654 120.300 -0.052 0.000 2.314 135 Y HA -0.134 4.416 4.550 0.000 0.000 0.293 135 Y C 2.594 178.627 175.900 0.221 0.000 1.129 135 Y CA 1.347 59.442 58.100 -0.009 0.000 1.201 135 Y CB -0.866 37.566 38.460 -0.047 0.000 0.999 135 Y HN 0.132 nan 8.280 nan 0.000 0.541 136 Q N 0.028 119.927 119.800 0.165 0.000 2.224 136 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 136 Q C 1.208 177.317 176.000 0.181 0.000 0.970 136 Q CA 1.290 57.182 55.803 0.149 0.000 0.865 136 Q CB -0.432 28.307 28.738 0.002 0.000 0.922 136 Q HN 0.666 nan 8.270 nan 0.000 0.445 137 N N -0.921 117.851 118.700 0.120 0.000 2.373 137 N HA -0.037 4.703 4.740 -0.000 0.000 0.181 137 N C -0.096 175.443 175.510 0.047 0.000 1.082 137 N CA -0.410 52.679 53.050 0.065 0.000 0.885 137 N CB 0.221 38.737 38.487 0.050 0.000 0.977 137 N HN 0.152 nan 8.380 nan 0.000 0.462 138 W N 2.890 124.115 121.300 -0.125 0.000 2.251 138 W HA 0.073 4.733 4.660 -0.000 0.000 0.327 138 W C -0.574 175.850 176.519 -0.159 0.000 1.361 138 W CA 0.021 57.249 57.345 -0.194 0.000 1.234 138 W CB 0.551 29.853 29.460 -0.264 0.000 1.212 138 W HN -0.075 nan 8.180 nan 0.000 0.557 139 Q N 8.345 127.543 119.800 -1.003 0.000 2.331 139 Q HA 0.333 4.673 4.340 -0.000 0.000 0.267 139 Q C -2.092 172.985 176.000 -1.539 0.000 1.006 139 Q CA -2.083 53.089 55.803 -1.051 0.000 0.818 139 Q CB 1.484 29.896 28.738 -0.543 0.000 1.276 139 Q HN 0.399 nan 8.270 nan 0.000 0.450 140 P HA 0.110 nan 4.420 nan 0.000 0.271 140 P C -0.285 176.617 177.300 -0.664 0.000 1.218 140 P CA 0.029 62.450 63.100 -1.131 0.000 0.780 140 P CB 1.068 32.267 31.700 -0.834 0.000 0.901 141 A N 2.731 125.168 122.820 -0.638 0.000 2.021 141 A HA 0.118 4.438 4.320 -0.000 0.000 0.216 141 A C 0.447 177.371 177.584 -1.100 0.000 1.163 141 A CA 0.608 52.033 52.037 -1.019 0.000 0.676 141 A CB -0.204 17.785 19.000 -1.685 0.000 0.818 141 A HN 0.592 nan 8.150 nan 0.000 0.453 142 W N -2.673 118.579 121.300 -0.079 0.000 3.047 142 W HA 0.655 5.315 4.660 -0.000 0.000 0.341 142 W C 0.018 176.481 176.519 -0.093 0.000 1.225 142 W CA -1.243 56.059 57.345 -0.073 0.000 1.150 142 W CB 0.984 30.416 29.460 -0.047 0.000 1.470 142 W HN 0.131 nan 8.180 nan 0.000 0.578 143 A N 3.132 126.039 122.820 0.146 0.000 2.366 143 A HA 0.543 4.863 4.320 -0.000 0.000 0.249 143 A C -2.048 175.546 177.584 0.015 0.000 1.084 143 A CA -0.841 51.219 52.037 0.039 0.000 0.794 143 A CB -0.689 18.334 19.000 0.038 0.000 1.034 143 A HN 0.172 nan 8.150 nan 0.000 0.491 144 P HA 0.274 nan 4.420 nan 0.000 0.274 144 P C 0.656 177.817 177.300 -0.230 0.000 1.231 144 P CA 1.260 64.197 63.100 -0.273 0.000 0.790 144 P CB 0.675 32.091 31.700 -0.474 0.000 0.951 145 G N 1.339 109.945 108.800 -0.325 0.000 2.198 145 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 145 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 145 G C 0.593 175.443 174.900 -0.084 0.000 1.025 145 G CA 0.783 45.852 45.100 -0.051 0.000 0.769 145 G HN 0.779 nan 8.290 nan 0.000 0.507 146 T N -5.139 109.323 114.554 -0.152 0.000 2.987 146 T HA 0.442 4.792 4.350 -0.000 0.000 0.248 146 T C 0.564 175.120 174.700 -0.239 0.000 0.997 146 T CA 0.802 62.833 62.100 -0.114 0.000 1.013 146 T CB 0.661 69.506 68.868 -0.038 0.000 1.077 146 T HN 0.297 nan 8.240 nan 0.000 0.483 147 Q N 0.839 120.451 119.800 -0.314 0.000 2.359 147 Q HA 0.484 4.823 4.340 -0.000 0.000 0.274 147 Q C -1.400 174.402 176.000 -0.331 0.000 1.074 147 Q CA -0.557 54.981 55.803 -0.443 0.000 0.810 147 Q CB 3.175 31.358 28.738 -0.924 0.000 1.342 147 Q HN 0.367 nan 8.270 nan 0.000 0.427 148 R N 2.010 122.346 120.500 -0.273 0.000 2.255 148 R HA 0.536 4.876 4.340 -0.000 0.000 0.326 148 R C -1.239 175.032 176.300 -0.048 0.000 0.986 148 R CA -0.552 55.475 56.100 -0.122 0.000 0.847 148 R CB 0.476 30.742 30.300 -0.056 0.000 1.111 148 R HN 0.464 nan 8.270 nan 0.000 0.452 149 L N 5.995 127.257 121.223 0.066 0.000 2.415 149 L HA 0.269 4.609 4.340 -0.000 0.000 0.268 149 L C -1.338 175.569 176.870 0.062 0.000 0.984 149 L CA -0.708 54.195 54.840 0.105 0.000 0.853 149 L CB 1.012 43.221 42.059 0.250 0.000 1.215 149 L HN 0.617 nan 8.230 nan 0.000 0.419 150 Y N 4.790 124.961 120.300 -0.215 0.000 2.805 150 Y HA 0.344 4.894 4.550 -0.000 0.000 0.331 150 Y C 0.058 175.770 175.900 -0.313 0.000 1.241 150 Y CA 0.986 58.735 58.100 -0.585 0.000 1.546 150 Y CB 0.427 38.620 38.460 -0.444 0.000 1.248 150 Y HN 0.818 nan 8.280 nan 0.000 0.559 151 A N 5.605 127.965 122.820 -0.766 0.000 2.513 151 A HA 0.300 4.620 4.320 -0.000 0.000 0.296 151 A C -0.154 177.318 177.584 -0.186 0.000 1.052 151 A CA -0.913 50.960 52.037 -0.272 0.000 0.714 151 A CB 0.907 19.914 19.000 0.012 0.000 1.279 151 A HN 0.783 nan 8.150 nan 0.000 0.397 152 N N 1.047 119.693 118.700 -0.090 0.000 2.244 152 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 152 N C 1.956 177.530 175.510 0.106 0.000 1.016 152 N CA 1.882 54.954 53.050 0.037 0.000 0.866 152 N CB -0.066 38.504 38.487 0.137 0.000 0.980 152 N HN 0.825 nan 8.380 nan 0.000 0.430 153 S N -1.118 114.666 115.700 0.139 0.000 2.515 153 S HA 0.061 4.531 4.470 -0.000 0.000 0.231 153 S C 1.970 176.741 174.600 0.284 0.000 0.987 153 S CA 0.775 59.130 58.200 0.258 0.000 0.936 153 S CB 0.054 63.440 63.200 0.309 0.000 0.766 153 S HN 0.169 nan 8.310 nan 0.000 0.528 154 S N 1.207 117.020 115.700 0.189 0.000 2.370 154 S HA 0.263 4.733 4.470 -0.000 0.000 0.214 154 S C 1.607 176.291 174.600 0.140 0.000 1.033 154 S CA 0.416 58.718 58.200 0.169 0.000 0.941 154 S CB -0.536 62.782 63.200 0.198 0.000 0.886 154 S HN 0.561 nan 8.310 nan 0.000 0.521 155 I N 1.317 121.968 120.570 0.135 0.000 2.493 155 I HA 0.010 4.180 4.170 -0.000 0.000 0.254 155 I C 2.082 178.267 176.117 0.113 0.000 1.160 155 I CA 1.146 62.508 61.300 0.103 0.000 1.445 155 I CB -0.579 37.463 38.000 0.070 0.000 1.086 155 I HN 0.477 nan 8.210 nan 0.000 0.433 156 G N 1.050 109.890 108.800 0.066 0.000 2.421 156 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.216 156 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.216 156 G C 1.533 176.384 174.900 -0.082 0.000 1.171 156 G CA 0.904 45.982 45.100 -0.037 0.000 0.775 156 G HN 0.394 nan 8.290 nan 0.000 0.543 157 L N -0.347 120.874 121.223 -0.004 0.000 2.093 157 L HA 0.175 4.515 4.340 -0.000 0.000 0.208 157 L C 2.405 179.214 176.870 -0.103 0.000 1.085 157 L CA 1.350 56.120 54.840 -0.117 0.000 0.755 157 L CB -0.649 41.288 42.059 -0.203 0.000 0.904 157 L HN 0.224 nan 8.230 nan 0.000 0.435 158 F N 0.462 120.338 119.950 -0.123 0.000 2.069 158 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 158 F C 2.200 177.921 175.800 -0.131 0.000 1.113 158 F CA 1.844 59.774 58.000 -0.116 0.000 1.214 158 F CB -1.087 37.857 39.000 -0.093 0.000 0.978 158 F HN 0.109 nan 8.300 nan 0.000 0.474 159 G N -0.295 108.369 108.800 -0.227 0.000 2.440 159 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 159 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 159 G C 1.818 176.520 174.900 -0.330 0.000 1.154 159 G CA 1.019 45.938 45.100 -0.300 0.000 0.767 159 G HN 0.677 nan 8.290 nan 0.000 0.552 160 A N 0.449 123.036 122.820 -0.389 0.000 1.898 160 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 160 A C 2.416 179.802 177.584 -0.330 0.000 1.181 160 A CA 1.273 53.102 52.037 -0.348 0.000 0.620 160 A CB -0.325 18.442 19.000 -0.389 0.000 0.819 160 A HN 0.362 nan 8.150 nan 0.000 0.442 161 L N -1.055 119.943 121.223 -0.376 0.000 2.179 161 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 161 L C 2.981 179.591 176.870 -0.433 0.000 1.096 161 L CA 0.705 55.337 54.840 -0.346 0.000 0.779 161 L CB -0.591 41.315 42.059 -0.255 0.000 0.922 161 L HN 0.402 nan 8.230 nan 0.000 0.443 162 A N 0.608 123.080 122.820 -0.579 0.000 1.940 162 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 162 A C 2.190 179.556 177.584 -0.363 0.000 1.176 162 A CA 2.039 53.704 52.037 -0.621 0.000 0.631 162 A CB -0.762 17.723 19.000 -0.858 0.000 0.814 162 A HN 0.346 nan 8.150 nan 0.000 0.446 163 V N -3.886 115.879 119.914 -0.248 0.000 3.541 163 V HA 0.043 4.163 4.120 -0.000 0.000 0.267 163 V C 1.723 177.740 176.094 -0.128 0.000 1.213 163 V CA 1.017 63.221 62.300 -0.160 0.000 1.149 163 V CB -0.455 31.311 31.823 -0.094 0.000 0.822 163 V HN 0.222 nan 8.190 nan 0.000 0.462 164 K N 1.541 121.859 120.400 -0.136 0.000 2.032 164 K HA -0.068 4.252 4.320 -0.000 0.000 0.209 164 K C 0.285 176.870 176.600 -0.026 0.000 1.048 164 K CA 2.014 58.257 56.287 -0.073 0.000 0.927 164 K CB -2.033 30.443 32.500 -0.040 0.000 0.712 164 K HN 0.457 nan 8.250 nan 0.000 0.441 165 P HA -0.135 nan 4.420 nan 0.000 0.216 165 P C 1.492 178.784 177.300 -0.012 0.000 1.150 165 P CA 1.751 64.866 63.100 0.026 0.000 0.843 165 P CB -0.082 31.646 31.700 0.047 0.000 0.787 166 S N -1.764 113.910 115.700 -0.044 0.000 2.453 166 S HA 0.060 4.530 4.470 -0.000 0.000 0.231 166 S C 1.889 176.460 174.600 -0.048 0.000 1.005 166 S CA 0.965 59.134 58.200 -0.052 0.000 0.949 166 S CB -1.463 61.691 63.200 -0.078 0.000 0.774 166 S HN 0.303 nan 8.310 nan 0.000 0.510 167 G N 0.734 109.506 108.800 -0.047 0.000 2.184 167 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.264 167 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.264 167 G C 0.004 174.872 174.900 -0.053 0.000 0.975 167 G CA 0.570 45.644 45.100 -0.043 0.000 0.642 167 G HN 0.576 nan 8.290 nan 0.000 0.536 168 L N 1.467 122.649 121.223 -0.068 0.000 2.421 168 L HA 0.581 4.921 4.340 -0.000 0.000 0.263 168 L C 1.478 178.302 176.870 -0.077 0.000 1.122 168 L CA -0.252 54.541 54.840 -0.079 0.000 0.804 168 L CB 1.300 43.295 42.059 -0.106 0.000 1.150 168 L HN 0.385 nan 8.230 nan 0.000 0.457 169 S N 0.255 115.914 115.700 -0.068 0.000 2.600 169 S HA 0.080 4.550 4.470 -0.000 0.000 0.265 169 S C 0.810 175.382 174.600 -0.047 0.000 1.325 169 S CA -0.425 57.749 58.200 -0.042 0.000 1.002 169 S CB 0.555 63.737 63.200 -0.031 0.000 0.921 169 S HN 0.538 nan 8.310 nan 0.000 0.554 170 F N 1.112 120.970 119.950 -0.153 0.000 2.095 170 F HA -0.092 4.434 4.527 -0.000 0.000 0.298 170 F C 2.523 178.209 175.800 -0.190 0.000 1.104 170 F CA 2.233 60.125 58.000 -0.179 0.000 1.232 170 F CB -0.452 38.441 39.000 -0.179 0.000 0.987 170 F HN 0.939 nan 8.300 nan 0.000 0.475 171 E N -0.611 119.542 120.200 -0.078 0.000 2.077 171 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 171 E C 2.153 178.592 176.600 -0.269 0.000 0.989 171 E CA 1.222 57.515 56.400 -0.179 0.000 0.800 171 E CB -0.102 29.585 29.700 -0.023 0.000 0.746 171 E HN 0.386 nan 8.360 nan 0.000 0.452 172 Q N -0.072 119.613 119.800 -0.192 0.000 2.119 172 Q HA -0.077 4.263 4.340 -0.000 0.000 0.201 172 Q C 2.034 177.876 176.000 -0.262 0.000 0.972 172 Q CA 1.323 57.015 55.803 -0.185 0.000 0.847 172 Q CB -0.304 28.364 28.738 -0.117 0.000 0.903 172 Q HN 0.378 nan 8.270 nan 0.000 0.433 173 A N 0.508 123.140 122.820 -0.313 0.000 1.873 173 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 173 A C 2.143 179.440 177.584 -0.478 0.000 1.186 173 A CA 1.806 53.636 52.037 -0.345 0.000 0.616 173 A CB -0.479 18.315 19.000 -0.345 0.000 0.823 173 A HN 0.344 nan 8.150 nan 0.000 0.442 174 M N -0.119 119.050 119.600 -0.719 0.000 2.117 174 M HA -0.200 4.280 4.480 -0.000 0.000 0.262 174 M C 2.130 177.838 176.300 -0.985 0.000 1.065 174 M CA 2.026 56.761 55.300 -0.943 0.000 1.114 174 M CB -0.606 31.255 32.600 -1.233 0.000 1.361 174 M HN 0.529 nan 8.290 nan 0.000 0.408 175 Q N -1.123 118.230 119.800 -0.745 0.000 2.050 175 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 175 Q C 1.937 177.765 176.000 -0.287 0.000 0.980 175 Q CA 2.361 57.877 55.803 -0.479 0.000 0.840 175 Q CB -0.420 28.151 28.738 -0.279 0.000 0.898 175 Q HN 0.774 nan 8.270 nan 0.000 0.424 176 T N -2.043 112.361 114.554 -0.250 0.000 3.043 176 T HA 0.034 4.384 4.350 -0.000 0.000 0.263 176 T C 1.671 176.286 174.700 -0.143 0.000 1.094 176 T CA 0.500 62.502 62.100 -0.163 0.000 1.127 176 T CB 0.072 68.859 68.868 -0.134 0.000 0.905 176 T HN 0.119 nan 8.240 nan 0.000 0.490 177 R N -0.155 120.231 120.500 -0.189 0.000 2.254 177 R HA 0.377 4.717 4.340 -0.000 0.000 0.193 177 R C 1.548 177.792 176.300 -0.094 0.000 0.929 177 R CA 0.251 56.271 56.100 -0.135 0.000 1.038 177 R CB 0.469 30.677 30.300 -0.152 0.000 1.009 177 R HN 0.295 nan 8.270 nan 0.000 0.512 178 V N -1.044 118.783 119.914 -0.146 0.000 3.054 178 V HA 0.032 4.152 4.120 -0.000 0.000 0.227 178 V C 1.391 177.567 176.094 0.137 0.000 1.252 178 V CA 0.432 62.730 62.300 -0.003 0.000 1.279 178 V CB -0.331 31.469 31.823 -0.039 0.000 1.118 178 V HN -0.021 nan 8.190 nan 0.000 0.504 179 F N 1.514 121.390 119.950 -0.123 0.000 2.102 179 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 179 F C 2.607 178.321 175.800 -0.144 0.000 1.105 179 F CA 1.507 59.402 58.000 -0.176 0.000 1.239 179 F CB -1.209 37.583 39.000 -0.347 0.000 0.991 179 F HN 0.201 nan 8.300 nan 0.000 0.474 180 Q N -0.287 119.539 119.800 0.044 0.000 2.050 180 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 180 Q C -0.299 175.702 176.000 0.001 0.000 0.980 180 Q CA 1.779 57.571 55.803 -0.018 0.000 0.840 180 Q CB -1.425 27.279 28.738 -0.057 0.000 0.898 180 Q HN 0.258 nan 8.270 nan 0.000 0.424 181 P HA -0.152 nan 4.420 nan 0.000 0.218 181 P C 0.632 177.959 177.300 0.045 0.000 1.148 181 P CA 1.193 64.306 63.100 0.021 0.000 0.822 181 P CB 0.072 31.787 31.700 0.024 0.000 0.784 182 L N -1.561 119.714 121.223 0.086 0.000 2.592 182 L HA 0.141 4.481 4.340 -0.000 0.000 0.227 182 L C 0.421 177.337 176.870 0.077 0.000 1.127 182 L CA 0.153 55.060 54.840 0.111 0.000 0.884 182 L CB -0.603 41.589 42.059 0.221 0.000 1.065 182 L HN -0.048 nan 8.230 nan 0.000 0.457 183 K N 0.882 121.304 120.400 0.036 0.000 3.125 183 K HA -0.163 4.157 4.320 -0.000 0.000 0.268 183 K C -0.251 176.339 176.600 -0.017 0.000 1.078 183 K CA 0.335 56.622 56.287 -0.001 0.000 0.775 183 K CB -1.660 30.845 32.500 0.008 0.000 1.253 183 K HN 0.319 nan 8.250 nan 0.000 0.486 184 L N 1.348 122.544 121.223 -0.045 0.000 2.399 184 L HA 0.115 4.455 4.340 -0.000 0.000 0.257 184 L C 1.032 177.732 176.870 -0.283 0.000 1.236 184 L CA -0.487 54.272 54.840 -0.135 0.000 1.144 184 L CB 0.068 42.003 42.059 -0.207 0.000 1.379 184 L HN 0.155 nan 8.230 nan 0.000 0.414 185 N N 0.238 118.804 118.700 -0.225 0.000 2.515 185 N HA -0.060 4.680 4.740 -0.000 0.000 0.185 185 N C 0.693 175.798 175.510 -0.676 0.000 1.109 185 N CA 0.824 53.631 53.050 -0.406 0.000 0.903 185 N CB 0.132 38.417 38.487 -0.336 0.000 0.969 185 N HN 0.505 nan 8.380 nan 0.000 0.450 186 H N -1.063 117.888 119.070 -0.198 0.000 2.651 186 H HA 0.260 4.816 4.556 -0.000 0.000 0.241 186 H C -0.383 174.822 175.328 -0.206 0.000 1.225 186 H CA -0.102 55.900 56.048 -0.077 0.000 0.942 186 H CB 0.357 30.113 29.762 -0.010 0.000 1.996 186 H HN -0.129 nan 8.280 nan 0.000 0.600 187 T N 0.938 115.158 114.554 -0.558 0.000 2.792 187 T HA 0.334 4.684 4.350 -0.000 0.000 0.280 187 T C -0.684 173.381 174.700 -1.059 0.000 0.990 187 T CA -0.448 61.170 62.100 -0.803 0.000 0.960 187 T CB 1.379 69.524 68.868 -1.206 0.000 0.939 187 T HN 0.232 nan 8.240 nan 0.000 0.439 188 W N 1.716 122.717 121.300 -0.498 0.000 3.127 188 W HA 0.561 5.221 4.660 0.000 0.000 0.330 188 W C 0.639 177.042 176.519 -0.194 0.000 1.187 188 W CA -0.819 56.366 57.345 -0.266 0.000 1.198 188 W CB 1.155 30.467 29.460 -0.246 0.000 1.408 188 W HN 0.493 nan 8.180 nan 0.000 0.529 189 I N 1.486 122.185 120.570 0.215 0.000 2.585 189 I HA -0.023 4.147 4.170 -0.000 0.000 0.254 189 I C 0.242 176.392 176.117 0.056 0.000 1.129 189 I CA 0.828 62.186 61.300 0.096 0.000 1.455 189 I CB 0.020 38.082 38.000 0.104 0.000 1.111 189 I HN 0.279 nan 8.210 nan 0.000 0.433 190 N N 1.247 120.018 118.700 0.117 0.000 2.483 190 N HA 0.236 4.976 4.740 -0.000 0.000 0.267 190 N C -0.856 174.576 175.510 -0.130 0.000 0.998 190 N CA -0.209 52.837 53.050 -0.007 0.000 0.918 190 N CB 2.610 41.098 38.487 0.002 0.000 1.215 190 N HN -0.215 nan 8.380 nan 0.000 0.500 191 V N 4.841 124.587 119.914 -0.281 0.000 2.450 191 V HA 0.112 4.232 4.120 -0.000 0.000 0.281 191 V C -1.389 174.388 176.094 -0.530 0.000 1.019 191 V CA -0.810 61.177 62.300 -0.521 0.000 1.062 191 V CB 0.119 31.600 31.823 -0.569 0.000 0.979 191 V HN 0.504 nan 8.190 nan 0.000 0.477 192 P HA 0.265 nan 4.420 nan 0.000 0.274 192 P C -2.275 174.799 177.300 -0.376 0.000 1.237 192 P CA -1.735 61.000 63.100 -0.608 0.000 0.793 192 P CB 0.605 31.779 31.700 -0.876 0.000 0.977 193 P HA -0.231 nan 4.420 nan 0.000 0.216 193 P C 1.541 178.763 177.300 -0.130 0.000 1.154 193 P CA 2.426 65.440 63.100 -0.143 0.000 0.865 193 P CB -0.487 31.152 31.700 -0.102 0.000 0.789 194 A N -0.314 122.416 122.820 -0.149 0.000 2.024 194 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 194 A C 2.019 179.548 177.584 -0.091 0.000 1.164 194 A CA 1.539 53.516 52.037 -0.099 0.000 0.643 194 A CB -0.813 18.138 19.000 -0.082 0.000 0.806 194 A HN 0.149 nan 8.150 nan 0.000 0.451 195 E N -1.043 119.057 120.200 -0.166 0.000 2.474 195 E HA 0.059 4.408 4.350 -0.000 0.000 0.194 195 E C 2.077 178.627 176.600 -0.083 0.000 1.041 195 E CA 0.792 57.118 56.400 -0.123 0.000 0.874 195 E CB -0.202 29.366 29.700 -0.220 0.000 0.914 195 E HN 0.826 nan 8.360 nan 0.000 0.498 196 E N 2.509 122.664 120.200 -0.074 0.000 2.130 196 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 196 E C 1.836 178.456 176.600 0.033 0.000 0.998 196 E CA 1.950 58.352 56.400 0.004 0.000 0.806 196 E CB -0.971 28.728 29.700 -0.002 0.000 0.738 196 E HN 0.459 nan 8.360 nan 0.000 0.459 197 K N -0.406 120.005 120.400 0.019 0.000 2.362 197 K HA -0.038 4.282 4.320 -0.000 0.000 0.200 197 K C 1.284 177.908 176.600 0.039 0.000 1.046 197 K CA 1.372 57.679 56.287 0.034 0.000 0.952 197 K CB 0.167 32.682 32.500 0.025 0.000 0.753 197 K HN 0.227 nan 8.250 nan 0.000 0.466 198 N N -0.142 118.577 118.700 0.032 0.000 2.236 198 N HA -0.054 4.686 4.740 -0.000 0.000 0.196 198 N C -0.689 174.852 175.510 0.051 0.000 1.114 198 N CA -0.042 53.026 53.050 0.030 0.000 0.859 198 N CB 0.224 38.717 38.487 0.009 0.000 0.982 198 N HN 0.158 nan 8.380 nan 0.000 0.493 199 Y N 3.262 123.485 120.300 -0.129 0.000 2.584 199 Y HA 0.344 4.894 4.550 -0.000 0.000 0.351 199 Y C 0.315 176.110 175.900 -0.176 0.000 1.030 199 Y CA -1.639 56.340 58.100 -0.202 0.000 1.332 199 Y CB -0.616 37.666 38.460 -0.298 0.000 1.148 199 Y HN -0.033 nan 8.280 nan 0.000 0.528 200 A N 6.143 129.046 122.820 0.137 0.000 2.466 200 A HA 0.128 4.448 4.320 -0.000 0.000 0.238 200 A C -0.562 177.058 177.584 0.059 0.000 1.074 200 A CA -0.270 51.799 52.037 0.053 0.000 0.774 200 A CB 0.159 19.105 19.000 -0.090 0.000 1.015 200 A HN 0.881 nan 8.150 nan 0.000 0.498 201 W N 0.264 121.579 121.300 0.025 0.000 2.381 201 W HA 0.500 5.160 4.660 0.000 0.000 0.329 201 W C 0.813 177.017 176.519 -0.524 0.000 1.157 201 W CA 0.396 57.555 57.345 -0.311 0.000 1.240 201 W CB 1.396 30.499 29.460 -0.595 0.000 1.199 201 W HN 0.926 nan 8.180 nan 0.000 0.579 202 G N 1.418 110.026 108.800 -0.321 0.000 2.425 202 G HA2 0.523 4.483 3.960 -0.000 0.000 0.302 202 G HA3 0.523 4.483 3.960 -0.000 0.000 0.302 202 G C -2.168 172.344 174.900 -0.645 0.000 1.159 202 G CA -0.447 44.174 45.100 -0.798 0.000 0.865 202 G HN 0.402 nan 8.290 nan 0.000 0.515 203 Y N -0.148 120.065 120.300 -0.145 0.000 2.338 203 Y HA 0.552 5.102 4.550 -0.000 0.000 0.333 203 Y C 0.446 176.336 175.900 -0.017 0.000 0.968 203 Y CA -0.813 57.260 58.100 -0.046 0.000 1.123 203 Y CB 2.317 40.757 38.460 -0.033 0.000 1.165 203 Y HN 0.507 nan 8.280 nan 0.000 0.452 204 R N 2.112 122.683 120.500 0.118 0.000 2.476 204 R HA 0.536 4.876 4.340 -0.000 0.000 0.305 204 R C -0.023 176.325 176.300 0.079 0.000 0.965 204 R CA 0.442 56.596 56.100 0.089 0.000 0.867 204 R CB 1.078 31.418 30.300 0.066 0.000 1.176 204 R HN 0.893 nan 8.270 nan 0.000 0.447 205 E N 2.085 122.327 120.200 0.070 0.000 2.360 205 E HA -0.213 4.137 4.350 -0.000 0.000 0.238 205 E C 0.764 177.395 176.600 0.051 0.000 1.186 205 E CA 1.515 57.943 56.400 0.048 0.000 0.719 205 E CB -2.486 27.234 29.700 0.034 0.000 1.236 205 E HN 1.511 nan 8.360 nan 0.000 0.386 206 G N -2.992 105.853 108.800 0.076 0.000 2.220 206 G HA2 0.100 4.060 3.960 -0.000 0.000 0.269 206 G HA3 0.100 4.060 3.960 -0.000 0.000 0.269 206 G C 0.848 175.830 174.900 0.137 0.000 0.977 206 G CA 1.881 47.023 45.100 0.071 0.000 0.634 206 G HN 2.255 nan 8.290 nan 0.000 0.539 207 K N 0.028 120.495 120.400 0.112 0.000 2.234 207 K HA 0.900 5.220 4.320 -0.000 0.000 0.282 207 K C 0.397 176.998 176.600 0.001 0.000 1.039 207 K CA 0.504 56.818 56.287 0.045 0.000 0.928 207 K CB 1.112 33.607 32.500 -0.008 0.000 1.039 207 K HN 1.903 nan 8.250 nan 0.000 0.470 208 A N 1.562 124.275 122.820 -0.178 0.000 2.454 208 A HA 0.562 4.882 4.320 -0.000 0.000 0.260 208 A C 0.346 177.736 177.584 -0.322 0.000 1.106 208 A CA 0.244 51.949 52.037 -0.553 0.000 0.780 208 A CB -0.549 17.872 19.000 -0.964 0.000 1.044 208 A HN 1.868 nan 8.150 nan 0.000 0.498 209 V N 0.889 120.767 119.914 -0.060 0.000 3.114 209 V HA 0.702 4.822 4.120 -0.000 0.000 0.308 209 V C -0.729 175.524 176.094 0.265 0.000 1.168 209 V CA -0.853 61.535 62.300 0.147 0.000 1.015 209 V CB 1.351 33.228 31.823 0.091 0.000 1.050 209 V HN 0.961 nan 8.190 nan 0.000 0.433 210 H N 0.189 119.396 119.070 0.229 0.000 2.747 210 H HA 0.684 5.240 4.556 -0.000 0.000 0.371 210 H C -0.566 174.855 175.328 0.156 0.000 1.161 210 H CA -0.937 55.170 56.048 0.098 0.000 1.167 210 H CB 2.318 31.971 29.762 -0.182 0.000 1.732 210 H HN 0.808 nan 8.280 nan 0.000 0.544 211 V N 2.381 122.477 119.914 0.303 0.000 2.763 211 V HA -0.006 4.114 4.120 -0.000 0.000 0.306 211 V C -0.176 176.036 176.094 0.197 0.000 1.059 211 V CA 0.373 62.811 62.300 0.231 0.000 1.138 211 V CB 0.810 32.773 31.823 0.234 0.000 0.940 211 V HN 0.749 nan 8.190 nan 0.000 0.489 212 S N 6.992 122.793 115.700 0.168 0.000 2.610 212 S HA 0.522 4.992 4.470 -0.000 0.000 0.273 212 S C -2.314 172.375 174.600 0.148 0.000 1.274 212 S CA -0.711 57.573 58.200 0.139 0.000 1.023 212 S CB 1.185 64.449 63.200 0.106 0.000 0.962 212 S HN 0.829 nan 8.310 nan 0.000 0.523 213 P HA 0.473 nan 4.420 nan 0.000 0.269 213 P C -0.193 177.163 177.300 0.094 0.000 1.215 213 P CA -0.079 63.071 63.100 0.084 0.000 0.780 213 P CB 0.437 32.166 31.700 0.050 0.000 0.898 214 G N -0.224 108.625 108.800 0.081 0.000 2.673 214 G HA2 0.547 4.507 3.960 -0.000 0.000 0.292 214 G HA3 0.547 4.507 3.960 -0.000 0.000 0.292 214 G C -1.467 173.445 174.900 0.019 0.000 1.450 214 G CA -0.458 44.694 45.100 0.087 0.000 0.837 214 G HN 0.531 nan 8.290 nan 0.000 0.505 215 A N 0.364 123.184 122.820 -0.001 0.000 2.511 215 A HA 0.558 4.878 4.320 -0.000 0.000 0.242 215 A C 1.411 178.956 177.584 -0.065 0.000 1.069 215 A CA 0.448 52.464 52.037 -0.036 0.000 0.763 215 A CB -0.349 18.627 19.000 -0.040 0.000 1.001 215 A HN 1.771 nan 8.150 nan 0.000 0.498 216 L N 0.417 121.567 121.223 -0.121 0.000 4.001 216 L HA -0.320 4.020 4.340 -0.000 0.000 0.413 216 L C 1.028 177.690 176.870 -0.347 0.000 1.185 216 L CA 0.667 55.383 54.840 -0.208 0.000 0.963 216 L CB -1.771 40.221 42.059 -0.112 0.000 1.976 216 L HN 0.996 nan 8.230 nan 0.000 0.939 217 D N -0.010 120.149 120.400 -0.402 0.000 2.144 217 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 217 D C 1.983 177.868 176.300 -0.692 0.000 0.978 217 D CA 1.286 54.777 54.000 -0.848 0.000 0.833 217 D CB -0.082 40.398 40.800 -0.533 0.000 0.961 217 D HN 0.436 nan 8.370 nan 0.000 0.470 218 A N 0.882 123.467 122.820 -0.392 0.000 1.908 218 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 218 A C 2.092 179.494 177.584 -0.303 0.000 1.181 218 A CA 1.944 53.842 52.037 -0.233 0.000 0.627 218 A CB -0.710 18.237 19.000 -0.088 0.000 0.818 218 A HN 0.218 nan 8.150 nan 0.000 0.445 219 E N -0.530 119.285 120.200 -0.641 0.000 2.208 219 E HA 0.151 4.501 4.350 -0.000 0.000 0.193 219 E C 1.866 178.308 176.600 -0.265 0.000 0.988 219 E CA 1.106 57.061 56.400 -0.742 0.000 0.828 219 E CB -0.170 28.992 29.700 -0.896 0.000 0.763 219 E HN 0.606 nan 8.360 nan 0.000 0.478 220 A N -0.410 122.256 122.820 -0.257 0.000 2.108 220 A HA 0.126 4.446 4.320 -0.000 0.000 0.206 220 A C 0.650 178.302 177.584 0.113 0.000 1.212 220 A CA 0.400 52.413 52.037 -0.039 0.000 0.843 220 A CB 0.076 19.109 19.000 0.055 0.000 0.902 220 A HN 0.391 nan 8.150 nan 0.000 0.477 221 Y N -4.310 116.013 120.300 0.037 0.000 3.070 221 Y HA 0.439 4.989 4.550 -0.000 0.000 0.254 221 Y C 0.810 176.731 175.900 0.035 0.000 1.070 221 Y CA -0.544 57.591 58.100 0.058 0.000 1.229 221 Y CB -0.498 38.004 38.460 0.070 0.000 1.264 221 Y HN -0.019 nan 8.280 nan 0.000 0.639 222 G N 0.719 109.450 108.800 -0.116 0.000 3.042 222 G HA2 0.330 4.290 3.960 -0.000 0.000 0.212 222 G HA3 0.330 4.290 3.960 -0.000 0.000 0.212 222 G C -0.140 174.734 174.900 -0.043 0.000 1.166 222 G CA 0.186 45.239 45.100 -0.079 0.000 0.767 222 G HN 0.131 nan 8.290 nan 0.000 0.546 223 V N 0.571 120.454 119.914 -0.052 0.000 2.546 223 V HA 0.404 4.524 4.120 -0.000 0.000 0.284 223 V C -0.288 175.694 176.094 -0.187 0.000 1.050 223 V CA -0.470 61.736 62.300 -0.157 0.000 0.981 223 V CB 1.452 33.072 31.823 -0.337 0.000 0.990 223 V HN 0.126 nan 8.190 nan 0.000 0.474 224 K N 2.515 122.765 120.400 -0.249 0.000 2.270 224 K HA 0.793 5.113 4.320 -0.000 0.000 0.255 224 K C -0.515 175.933 176.600 -0.253 0.000 0.936 224 K CA -0.171 55.950 56.287 -0.276 0.000 0.809 224 K CB 1.994 34.220 32.500 -0.455 0.000 1.131 224 K HN 0.707 nan 8.250 nan 0.000 0.427 225 S N 0.202 115.819 115.700 -0.138 0.000 2.625 225 S HA 0.602 5.072 4.470 -0.000 0.000 0.271 225 S C -1.175 173.475 174.600 0.083 0.000 1.161 225 S CA -0.728 57.413 58.200 -0.098 0.000 0.820 225 S CB 0.963 64.064 63.200 -0.166 0.000 1.137 225 S HN 0.680 nan 8.310 nan 0.000 0.470 226 T N 0.233 114.840 114.554 0.087 0.000 2.912 226 T HA 0.523 4.873 4.350 -0.000 0.000 0.280 226 T C 1.238 176.037 174.700 0.166 0.000 0.989 226 T CA -0.538 61.659 62.100 0.161 0.000 0.995 226 T CB 0.802 69.709 68.868 0.064 0.000 1.077 226 T HN 0.440 nan 8.240 nan 0.000 0.531 227 I N 0.736 121.418 120.570 0.187 0.000 2.394 227 I HA -0.034 4.136 4.170 -0.000 0.000 0.251 227 I C 2.307 178.554 176.117 0.217 0.000 1.136 227 I CA 1.404 62.825 61.300 0.202 0.000 1.425 227 I CB -0.604 37.539 38.000 0.238 0.000 1.079 227 I HN 0.815 nan 8.210 nan 0.000 0.425 228 E N -0.024 120.204 120.200 0.045 0.000 2.047 228 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 228 E C 1.713 178.402 176.600 0.148 0.000 0.987 228 E CA 1.450 57.872 56.400 0.037 0.000 0.799 228 E CB -0.212 29.394 29.700 -0.156 0.000 0.752 228 E HN 0.462 nan 8.360 nan 0.000 0.449 229 D N 0.249 120.713 120.400 0.106 0.000 2.144 229 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 229 D C 1.832 178.247 176.300 0.191 0.000 0.984 229 D CA 0.964 55.028 54.000 0.106 0.000 0.834 229 D CB -0.022 40.784 40.800 0.009 0.000 0.955 229 D HN 0.065 nan 8.370 nan 0.000 0.465 230 M N 0.181 119.910 119.600 0.216 0.000 2.229 230 M HA 0.019 4.499 4.480 -0.000 0.000 0.264 230 M C 2.184 178.671 176.300 0.312 0.000 1.063 230 M CA 0.639 56.125 55.300 0.310 0.000 1.114 230 M CB -1.002 31.762 32.600 0.273 0.000 1.387 230 M HN -0.019 nan 8.290 nan 0.000 0.420 231 A N -0.294 122.687 122.820 0.268 0.000 1.930 231 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 231 A C 2.376 180.041 177.584 0.135 0.000 1.175 231 A CA 1.641 53.796 52.037 0.196 0.000 0.627 231 A CB -0.636 18.506 19.000 0.237 0.000 0.815 231 A HN 0.456 nan 8.150 nan 0.000 0.443 232 R N -1.370 119.235 120.500 0.175 0.000 2.092 232 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 232 R C 2.107 178.512 176.300 0.175 0.000 1.119 232 R CA 1.292 57.472 56.100 0.133 0.000 0.970 232 R CB -0.355 30.030 30.300 0.141 0.000 0.864 232 R HN 0.830 nan 8.270 nan 0.000 0.440 233 W N 0.481 121.802 121.300 0.035 0.000 2.338 233 W HA -0.209 4.451 4.660 0.000 0.000 0.304 233 W C 1.353 177.814 176.519 -0.097 0.000 1.212 233 W CA 1.205 58.560 57.345 0.017 0.000 1.264 233 W CB -0.018 29.503 29.460 0.102 0.000 1.142 233 W HN -0.036 nan 8.180 nan 0.000 0.512 234 V N 1.310 121.169 119.914 -0.092 0.000 2.358 234 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 234 V C 2.386 178.155 176.094 -0.541 0.000 1.047 234 V CA 2.241 64.279 62.300 -0.436 0.000 1.035 234 V CB -1.049 30.649 31.823 -0.208 0.000 0.658 234 V HN 0.239 nan 8.190 nan 0.000 0.452 235 Q N -0.174 119.456 119.800 -0.283 0.000 2.135 235 Q HA -0.186 4.153 4.340 -0.000 0.000 0.204 235 Q C 2.462 178.280 176.000 -0.304 0.000 0.981 235 Q CA 1.979 57.626 55.803 -0.259 0.000 0.856 235 Q CB -0.266 28.392 28.738 -0.133 0.000 0.902 235 Q HN 0.606 nan 8.270 nan 0.000 0.425 236 S N 0.762 116.292 115.700 -0.284 0.000 2.383 236 S HA -0.053 4.417 4.470 -0.000 0.000 0.227 236 S C 1.491 175.828 174.600 -0.438 0.000 1.026 236 S CA 0.784 58.823 58.200 -0.269 0.000 0.981 236 S CB -0.106 63.010 63.200 -0.140 0.000 0.818 236 S HN 0.376 nan 8.310 nan 0.000 0.472 237 N N 1.058 119.319 118.700 -0.732 0.000 2.416 237 N HA 0.155 4.895 4.740 -0.000 0.000 0.177 237 N C 1.539 176.527 175.510 -0.869 0.000 1.036 237 N CA 0.418 52.942 53.050 -0.877 0.000 0.901 237 N CB -0.070 37.649 38.487 -1.280 0.000 0.976 237 N HN 0.327 nan 8.380 nan 0.000 0.444 238 L N 0.591 121.292 121.223 -0.870 0.000 2.072 238 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 238 L C 0.617 177.303 176.870 -0.308 0.000 1.079 238 L CA 1.120 55.624 54.840 -0.560 0.000 0.752 238 L CB 0.121 41.907 42.059 -0.455 0.000 0.906 238 L HN -0.084 nan 8.230 nan 0.000 0.436 239 K N -0.215 120.016 120.400 -0.282 0.000 2.753 239 K HA 0.214 4.534 4.320 -0.000 0.000 0.185 239 K C -1.927 174.576 176.600 -0.162 0.000 1.071 239 K CA -1.208 54.968 56.287 -0.185 0.000 0.999 239 K CB 1.393 33.802 32.500 -0.152 0.000 1.244 239 K HN -0.091 nan 8.250 nan 0.000 0.594 240 P HA -0.138 nan 4.420 nan 0.000 0.222 240 P C 1.127 178.379 177.300 -0.080 0.000 1.147 240 P CA 0.853 63.881 63.100 -0.120 0.000 0.790 240 P CB 0.310 31.945 31.700 -0.109 0.000 0.780 241 L N -0.342 120.836 121.223 -0.076 0.000 2.275 241 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 241 L C 2.561 179.400 176.870 -0.052 0.000 1.119 241 L CA 1.697 56.503 54.840 -0.057 0.000 0.790 241 L CB -1.609 40.417 42.059 -0.055 0.000 0.919 241 L HN 0.023 nan 8.230 nan 0.000 0.443 242 D N 0.556 120.919 120.400 -0.062 0.000 2.371 242 D HA 0.105 4.745 4.640 -0.000 0.000 0.221 242 D C 0.986 177.261 176.300 -0.041 0.000 0.986 242 D CA 0.276 54.244 54.000 -0.053 0.000 0.899 242 D CB -0.291 40.471 40.800 -0.064 0.000 0.902 242 D HN 0.268 nan 8.370 nan 0.000 0.530 243 I N 0.517 121.063 120.570 -0.040 0.000 2.396 243 I HA 0.285 4.454 4.170 -0.000 0.000 0.289 243 I C 2.195 178.302 176.117 -0.017 0.000 1.056 243 I CA 0.062 61.347 61.300 -0.024 0.000 1.365 243 I CB 0.886 38.874 38.000 -0.020 0.000 1.407 243 I HN 0.269 nan 8.210 nan 0.000 0.509 244 N N 5.408 124.101 118.700 -0.012 0.000 2.084 244 N HA -0.156 4.584 4.740 -0.000 0.000 0.190 244 N C 0.834 176.339 175.510 -0.008 0.000 1.030 244 N CA 1.050 54.093 53.050 -0.011 0.000 0.849 244 N CB -0.460 38.022 38.487 -0.009 0.000 1.012 244 N HN 0.655 nan 8.380 nan 0.000 0.423 245 E N 0.541 120.739 120.200 -0.004 0.000 2.238 245 E HA 0.387 4.737 4.350 -0.000 0.000 0.264 245 E C 1.561 178.160 176.600 -0.002 0.000 1.136 245 E CA 0.461 56.859 56.400 -0.003 0.000 0.929 245 E CB 0.586 30.287 29.700 0.001 0.000 1.010 245 E HN 0.635 nan 8.360 nan 0.000 0.440 246 K N 2.560 122.957 120.400 -0.005 0.000 2.034 246 K HA -0.244 4.076 4.320 -0.000 0.000 0.214 246 K C 2.035 178.635 176.600 0.001 0.000 1.051 246 K CA 2.495 58.779 56.287 -0.004 0.000 0.931 246 K CB -1.648 30.849 32.500 -0.005 0.000 0.715 246 K HN 0.680 nan 8.250 nan 0.000 0.446 247 T N -1.076 113.479 114.554 0.002 0.000 2.915 247 T HA -0.018 4.332 4.350 -0.000 0.000 0.269 247 T C 1.968 176.679 174.700 0.017 0.000 1.071 247 T CA 1.253 63.358 62.100 0.008 0.000 1.132 247 T CB -0.122 68.747 68.868 0.003 0.000 0.878 247 T HN 0.244 nan 8.240 nan 0.000 0.479 248 L N 0.953 122.186 121.223 0.018 0.000 2.131 248 L HA 0.175 4.515 4.340 -0.000 0.000 0.206 248 L C 2.763 179.651 176.870 0.030 0.000 1.087 248 L CA 1.598 56.460 54.840 0.036 0.000 0.767 248 L CB -0.963 41.122 42.059 0.042 0.000 0.917 248 L HN 0.329 nan 8.230 nan 0.000 0.441 249 Q N -0.746 119.061 119.800 0.011 0.000 2.045 249 Q HA -0.305 4.035 4.340 -0.000 0.000 0.206 249 Q C 2.214 178.214 176.000 0.001 0.000 0.991 249 Q CA 2.430 58.230 55.803 -0.005 0.000 0.851 249 Q CB -0.149 28.582 28.738 -0.013 0.000 0.911 249 Q HN 0.646 nan 8.270 nan 0.000 0.418 250 Q N -0.811 118.995 119.800 0.010 0.000 2.124 250 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 250 Q C 2.029 178.053 176.000 0.041 0.000 0.977 250 Q CA 1.267 57.081 55.803 0.018 0.000 0.850 250 Q CB -0.282 28.468 28.738 0.019 0.000 0.901 250 Q HN 0.586 nan 8.270 nan 0.000 0.429 251 G N 0.761 109.592 108.800 0.053 0.000 2.422 251 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 251 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 251 G C 1.384 176.346 174.900 0.104 0.000 1.146 251 G CA 0.634 45.785 45.100 0.086 0.000 0.769 251 G HN 0.242 nan 8.290 nan 0.000 0.547 252 I N 0.193 120.805 120.570 0.070 0.000 2.226 252 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 252 I C 3.019 179.163 176.117 0.045 0.000 1.100 252 I CA 1.160 62.489 61.300 0.048 0.000 1.374 252 I CB -0.243 37.728 38.000 -0.048 0.000 1.057 252 I HN 0.241 nan 8.210 nan 0.000 0.413 253 Q N 0.446 120.259 119.800 0.022 0.000 2.119 253 Q HA -0.151 4.189 4.340 -0.000 0.000 0.201 253 Q C 2.368 178.401 176.000 0.054 0.000 0.972 253 Q CA 1.263 57.074 55.803 0.013 0.000 0.847 253 Q CB -0.097 28.636 28.738 -0.008 0.000 0.903 253 Q HN 0.523 nan 8.270 nan 0.000 0.433 254 L N 0.079 121.356 121.223 0.091 0.000 2.131 254 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 254 L C 2.363 179.379 176.870 0.244 0.000 1.092 254 L CA 0.797 55.726 54.840 0.149 0.000 0.759 254 L CB -0.482 41.673 42.059 0.160 0.000 0.903 254 L HN 0.210 nan 8.230 nan 0.000 0.435 255 A N -0.872 122.092 122.820 0.239 0.000 2.119 255 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 255 A C 2.018 179.822 177.584 0.367 0.000 1.153 255 A CA 1.024 53.258 52.037 0.329 0.000 0.692 255 A CB -0.215 19.008 19.000 0.372 0.000 0.799 255 A HN 0.482 nan 8.150 nan 0.000 0.458 256 Q N -0.032 119.899 119.800 0.218 0.000 2.247 256 Q HA 0.192 4.532 4.340 -0.000 0.000 0.204 256 Q C -0.163 175.861 176.000 0.041 0.000 0.872 256 Q CA -0.320 55.556 55.803 0.122 0.000 0.951 256 Q CB 0.444 29.180 28.738 -0.004 0.000 1.099 256 Q HN 0.489 nan 8.270 nan 0.000 0.501 257 S N 0.931 116.643 115.700 0.020 0.000 2.585 257 S HA 0.227 4.697 4.470 -0.000 0.000 0.273 257 S C 0.043 174.461 174.600 -0.305 0.000 1.339 257 S CA -0.172 57.890 58.200 -0.230 0.000 1.028 257 S CB 0.596 63.529 63.200 -0.446 0.000 0.906 257 S HN 0.231 nan 8.310 nan 0.000 0.528 258 R N 1.544 121.830 120.500 -0.357 0.000 2.198 258 R HA 0.245 4.585 4.340 -0.000 0.000 0.339 258 R C -0.367 175.746 176.300 -0.311 0.000 1.020 258 R CA -0.146 55.843 56.100 -0.185 0.000 0.864 258 R CB 0.420 30.592 30.300 -0.212 0.000 1.105 258 R HN 0.692 nan 8.270 nan 0.000 0.463 259 Y N 0.696 120.995 120.300 -0.003 0.000 2.479 259 Y HA 0.139 4.689 4.550 -0.000 0.000 0.283 259 Y C 0.122 175.711 175.900 -0.519 0.000 1.109 259 Y CA 0.311 58.253 58.100 -0.264 0.000 1.239 259 Y CB 0.548 38.861 38.460 -0.244 0.000 1.108 259 Y HN 0.467 nan 8.280 nan 0.000 0.548 260 W N -0.254 121.214 121.300 0.280 0.000 3.107 260 W HA 0.548 5.208 4.660 0.000 0.000 0.331 260 W C -0.904 175.736 176.519 0.201 0.000 1.204 260 W CA -1.009 56.461 57.345 0.208 0.000 1.184 260 W CB 1.137 30.704 29.460 0.177 0.000 1.421 260 W HN -0.454 nan 8.180 nan 0.000 0.544 261 Q N 1.293 121.308 119.800 0.359 0.000 2.353 261 Q HA 0.641 4.981 4.340 -0.000 0.000 0.268 261 Q C -1.225 174.808 176.000 0.054 0.000 1.045 261 Q CA -0.482 55.375 55.803 0.090 0.000 0.811 261 Q CB 2.401 31.142 28.738 0.006 0.000 1.305 261 Q HN 0.434 nan 8.270 nan 0.000 0.447 262 T N 2.718 117.246 114.554 -0.044 0.000 2.906 262 T HA 0.610 4.960 4.350 -0.000 0.000 0.302 262 T C 0.379 175.023 174.700 -0.094 0.000 1.002 262 T CA 0.736 62.814 62.100 -0.036 0.000 0.988 262 T CB 0.539 69.404 68.868 -0.005 0.000 0.972 262 T HN 1.055 nan 8.240 nan 0.000 0.447 263 G N 5.516 114.262 108.800 -0.090 0.000 2.561 263 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.289 263 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.289 263 G C 0.336 175.141 174.900 -0.159 0.000 1.169 263 G CA 0.724 45.765 45.100 -0.098 0.000 0.980 263 G HN 0.981 nan 8.290 nan 0.000 0.550 264 D N 0.244 120.554 120.400 -0.150 0.000 2.368 264 D HA 0.315 4.955 4.640 -0.000 0.000 0.218 264 D C 1.055 177.215 176.300 -0.235 0.000 1.112 264 D CA 0.304 54.198 54.000 -0.177 0.000 0.834 264 D CB 0.076 40.819 40.800 -0.094 0.000 0.953 264 D HN 0.575 nan 8.370 nan 0.000 0.505 265 M N 0.588 120.039 119.600 -0.248 0.000 2.472 265 M HA 0.442 4.922 4.480 -0.000 0.000 0.331 265 M C -1.664 174.467 176.300 -0.282 0.000 1.170 265 M CA -0.702 54.522 55.300 -0.128 0.000 1.009 265 M CB 1.804 34.431 32.600 0.045 0.000 1.672 265 M HN -0.189 nan 8.290 nan 0.000 0.453 266 Y N 1.415 121.825 120.300 0.183 0.000 2.409 266 Y HA 0.382 4.932 4.550 -0.000 0.000 0.343 266 Y C -0.448 175.612 175.900 0.267 0.000 0.973 266 Y CA -0.744 57.476 58.100 0.201 0.000 1.064 266 Y CB 1.714 40.260 38.460 0.143 0.000 1.207 266 Y HN 0.541 nan 8.280 nan 0.000 0.452 267 Q N 1.815 121.897 119.800 0.470 0.000 2.274 267 Q HA 0.600 4.940 4.340 -0.000 0.000 0.256 267 Q C -0.056 176.237 176.000 0.487 0.000 0.927 267 Q CA -0.193 55.887 55.803 0.462 0.000 0.939 267 Q CB 1.268 30.294 28.738 0.480 0.000 1.201 267 Q HN 0.898 nan 8.270 nan 0.000 0.426 268 G N 2.781 111.842 108.800 0.435 0.000 2.890 268 G HA2 0.505 4.464 3.960 -0.000 0.000 0.189 268 G HA3 0.505 4.464 3.960 -0.000 0.000 0.189 268 G C -0.984 174.095 174.900 0.299 0.000 1.342 268 G CA -0.824 44.558 45.100 0.470 0.000 1.026 268 G HN 0.583 nan 8.290 nan 0.000 0.579 269 L N 1.111 122.479 121.223 0.242 0.000 2.272 269 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 269 L C 1.354 178.269 176.870 0.074 0.000 1.045 269 L CA 0.430 55.275 54.840 0.008 0.000 0.842 269 L CB 0.633 42.681 42.059 -0.018 0.000 1.224 269 L HN 1.044 nan 8.230 nan 0.000 0.430 270 G N 2.236 111.048 108.800 0.019 0.000 4.039 270 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.220 270 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.220 270 G C 0.011 174.951 174.900 0.067 0.000 1.391 270 G CA -0.169 44.943 45.100 0.020 0.000 0.920 270 G HN 0.513 nan 8.290 nan 0.000 0.599 271 W N 2.207 123.637 121.300 0.217 0.000 2.137 271 W HA 0.593 5.253 4.660 -0.000 0.000 0.344 271 W C 0.830 177.497 176.519 0.246 0.000 1.286 271 W CA -0.200 57.271 57.345 0.210 0.000 1.240 271 W CB 0.446 30.000 29.460 0.156 0.000 1.141 271 W HN 0.315 nan 8.180 nan 0.000 0.579 272 E N 1.451 121.999 120.200 0.581 0.000 2.256 272 E HA 0.580 4.930 4.350 -0.000 0.000 0.267 272 E C -0.869 176.036 176.600 0.509 0.000 0.892 272 E CA -1.092 55.615 56.400 0.513 0.000 0.775 272 E CB 1.768 31.762 29.700 0.490 0.000 1.207 272 E HN 0.190 nan 8.360 nan 0.000 0.420 273 M N 1.904 121.755 119.600 0.419 0.000 2.550 273 M HA 0.479 4.959 4.480 -0.000 0.000 0.292 273 M C -1.592 174.936 176.300 0.381 0.000 1.221 273 M CA -0.374 55.117 55.300 0.318 0.000 0.873 273 M CB 1.811 34.535 32.600 0.208 0.000 1.727 273 M HN 0.290 nan 8.290 nan 0.000 0.459 274 L N 0.387 121.801 121.223 0.319 0.000 2.393 274 L HA 0.560 4.899 4.340 -0.000 0.000 0.260 274 L C -0.755 176.292 176.870 0.296 0.000 1.002 274 L CA -0.674 54.355 54.840 0.315 0.000 0.818 274 L CB 1.959 44.113 42.059 0.158 0.000 1.369 274 L HN 0.557 nan 8.230 nan 0.000 0.412 275 D N 0.676 121.242 120.400 0.277 0.000 2.372 275 D HA 0.013 4.652 4.640 -0.000 0.000 0.243 275 D C -1.016 175.416 176.300 0.219 0.000 1.121 275 D CA 0.129 54.252 54.000 0.205 0.000 0.898 275 D CB 1.259 42.149 40.800 0.150 0.000 1.202 275 D HN 0.348 nan 8.370 nan 0.000 0.428 276 W N 4.285 125.644 121.300 0.099 0.000 2.469 276 W HA 0.295 4.955 4.660 -0.000 0.000 0.320 276 W C -2.305 174.268 176.519 0.090 0.000 1.086 276 W CA -1.779 55.642 57.345 0.127 0.000 1.211 276 W CB 1.132 30.681 29.460 0.149 0.000 1.298 276 W HN 0.236 nan 8.180 nan 0.000 0.525 277 P HA 0.161 nan 4.420 nan 0.000 0.274 277 P C -0.499 176.425 177.300 -0.627 0.000 1.231 277 P CA 0.012 62.248 63.100 -1.439 0.000 0.790 277 P CB 1.752 32.871 31.700 -0.969 0.000 0.951 278 V N -0.866 118.704 119.914 -0.574 0.000 2.994 278 V HA 0.556 4.676 4.120 -0.000 0.000 0.318 278 V C -0.086 175.733 176.094 -0.459 0.000 1.085 278 V CA -1.122 60.963 62.300 -0.359 0.000 0.998 278 V CB 1.630 33.257 31.823 -0.326 0.000 1.063 278 V HN 0.577 nan 8.190 nan 0.000 0.447 279 N N 3.432 121.883 118.700 -0.415 0.000 2.408 279 N HA 0.413 5.153 4.740 -0.000 0.000 0.257 279 N C -1.286 173.834 175.510 -0.650 0.000 1.064 279 N CA -2.261 50.521 53.050 -0.447 0.000 0.952 279 N CB 1.409 39.718 38.487 -0.296 0.000 1.093 279 N HN 0.556 nan 8.380 nan 0.000 0.490 280 P HA -0.141 nan 4.420 nan 0.000 0.215 280 P C 0.298 177.213 177.300 -0.642 0.000 1.153 280 P CA 1.194 63.574 63.100 -1.200 0.000 0.853 280 P CB 0.439 31.033 31.700 -1.844 0.000 0.788 281 D N -0.348 119.780 120.400 -0.453 0.000 2.182 281 D HA -0.118 4.521 4.640 -0.000 0.000 0.201 281 D C 2.179 178.334 176.300 -0.240 0.000 0.986 281 D CA 1.094 54.922 54.000 -0.285 0.000 0.847 281 D CB -0.538 40.136 40.800 -0.210 0.000 0.942 281 D HN 0.194 nan 8.370 nan 0.000 0.467 282 S N 0.581 116.121 115.700 -0.266 0.000 2.345 282 S HA -0.117 4.353 4.470 -0.000 0.000 0.220 282 S C 2.205 176.699 174.600 -0.177 0.000 1.031 282 S CA 1.071 59.150 58.200 -0.202 0.000 0.996 282 S CB -0.204 62.873 63.200 -0.204 0.000 0.882 282 S HN 0.386 nan 8.310 nan 0.000 0.445 283 I N -0.784 119.637 120.570 -0.248 0.000 2.439 283 I HA 0.010 4.180 4.170 -0.000 0.000 0.251 283 I C 2.137 178.199 176.117 -0.091 0.000 1.139 283 I CA 1.102 62.313 61.300 -0.147 0.000 1.438 283 I CB -0.550 37.282 38.000 -0.280 0.000 1.085 283 I HN 0.239 nan 8.210 nan 0.000 0.427 284 I N 1.990 122.456 120.570 -0.174 0.000 2.133 284 I HA -0.230 3.940 4.170 -0.000 0.000 0.238 284 I C 2.336 178.395 176.117 -0.098 0.000 1.074 284 I CA 1.496 62.719 61.300 -0.128 0.000 1.342 284 I CB -0.622 37.284 38.000 -0.158 0.000 1.053 284 I HN 0.273 nan 8.210 nan 0.000 0.404 285 N N 1.030 119.666 118.700 -0.107 0.000 2.244 285 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 285 N C 1.819 177.289 175.510 -0.066 0.000 1.016 285 N CA 1.482 54.483 53.050 -0.082 0.000 0.866 285 N CB -0.582 37.854 38.487 -0.086 0.000 0.980 285 N HN 0.422 nan 8.380 nan 0.000 0.430 286 G N 0.136 108.899 108.800 -0.061 0.000 2.598 286 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 286 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 286 G C 1.499 176.384 174.900 -0.026 0.000 1.131 286 G CA 0.945 46.023 45.100 -0.036 0.000 0.785 286 G HN 0.475 nan 8.290 nan 0.000 0.539 287 S N -0.485 115.196 115.700 -0.031 0.000 2.528 287 S HA 0.045 4.515 4.470 -0.000 0.000 0.219 287 S C 0.713 175.264 174.600 -0.080 0.000 0.985 287 S CA -0.165 58.006 58.200 -0.049 0.000 0.914 287 S CB 0.093 63.259 63.200 -0.056 0.000 0.776 287 S HN 0.264 nan 8.310 nan 0.000 0.526 288 D N 2.195 122.553 120.400 -0.070 0.000 2.455 288 D HA 0.065 4.705 4.640 -0.000 0.000 0.241 288 D C 0.373 176.631 176.300 -0.070 0.000 1.138 288 D CA 0.032 53.992 54.000 -0.066 0.000 0.877 288 D CB 0.536 41.305 40.800 -0.052 0.000 1.187 288 D HN 0.078 nan 8.370 nan 0.000 0.451 289 N N 3.107 121.766 118.700 -0.069 0.000 2.430 289 N HA -0.190 4.550 4.740 -0.000 0.000 0.186 289 N C 1.551 177.033 175.510 -0.048 0.000 1.032 289 N CA 0.682 53.690 53.050 -0.070 0.000 0.893 289 N CB -0.094 38.360 38.487 -0.055 0.000 0.957 289 N HN 0.646 nan 8.380 nan 0.000 0.442 290 K N 0.294 120.672 120.400 -0.037 0.000 2.283 290 K HA -0.008 4.312 4.320 -0.000 0.000 0.202 290 K C 1.652 178.235 176.600 -0.028 0.000 1.048 290 K CA 0.938 57.211 56.287 -0.024 0.000 0.948 290 K CB 0.054 32.542 32.500 -0.021 0.000 0.742 290 K HN 0.162 nan 8.250 nan 0.000 0.458 291 I N 0.806 121.351 120.570 -0.041 0.000 2.947 291 I HA 0.032 4.201 4.170 -0.000 0.000 0.263 291 I C 2.489 178.574 176.117 -0.054 0.000 1.130 291 I CA 0.469 61.744 61.300 -0.042 0.000 1.448 291 I CB -0.078 37.896 38.000 -0.043 0.000 1.222 291 I HN 0.187 nan 8.210 nan 0.000 0.453 292 A N 1.115 123.887 122.820 -0.081 0.000 1.978 292 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 292 A C 2.084 179.578 177.584 -0.149 0.000 1.170 292 A CA 1.465 53.421 52.037 -0.135 0.000 0.636 292 A CB -0.679 18.201 19.000 -0.200 0.000 0.810 292 A HN 0.436 nan 8.150 nan 0.000 0.448 293 L N -1.075 120.093 121.223 -0.091 0.000 2.607 293 L HA 0.268 4.608 4.340 -0.000 0.000 0.228 293 L C 1.113 177.998 176.870 0.023 0.000 1.123 293 L CA -0.098 54.728 54.840 -0.022 0.000 0.890 293 L CB -0.284 41.775 42.059 -0.000 0.000 1.103 293 L HN 0.367 nan 8.230 nan 0.000 0.468 294 A N 0.659 123.480 122.820 0.002 0.000 2.302 294 A HA 0.693 5.013 4.320 -0.000 0.000 0.285 294 A C 0.386 177.969 177.584 -0.002 0.000 1.105 294 A CA -0.238 51.808 52.037 0.015 0.000 0.816 294 A CB 0.550 19.549 19.000 -0.002 0.000 1.067 294 A HN 0.184 nan 8.150 nan 0.000 0.489 295 A N 1.964 124.780 122.820 -0.006 0.000 2.425 295 A HA 0.591 4.911 4.320 -0.000 0.000 0.249 295 A C 0.349 177.824 177.584 -0.181 0.000 1.084 295 A CA -0.134 51.822 52.037 -0.134 0.000 0.781 295 A CB 0.166 18.991 19.000 -0.291 0.000 1.019 295 A HN 0.745 nan 8.150 nan 0.000 0.490 296 R N 1.967 122.340 120.500 -0.212 0.000 2.673 296 R HA 0.464 4.804 4.340 -0.000 0.000 0.281 296 R C -3.139 173.033 176.300 -0.214 0.000 0.991 296 R CA -1.929 54.068 56.100 -0.171 0.000 0.896 296 R CB 2.090 32.334 30.300 -0.093 0.000 1.201 296 R HN 0.526 nan 8.270 nan 0.000 0.457 297 P HA 0.123 nan 4.420 nan 0.000 0.275 297 P C -0.255 176.989 177.300 -0.093 0.000 1.228 297 P CA -0.292 62.703 63.100 -0.174 0.000 0.786 297 P CB 0.872 32.495 31.700 -0.129 0.000 0.927 298 V N -2.319 117.553 119.914 -0.071 0.000 2.864 298 V HA 0.898 5.018 4.120 -0.000 0.000 0.314 298 V C -0.134 176.081 176.094 0.203 0.000 1.073 298 V CA -1.236 61.101 62.300 0.063 0.000 0.956 298 V CB 0.997 32.824 31.823 0.007 0.000 1.023 298 V HN 0.579 nan 8.190 nan 0.000 0.435 299 K N 1.549 122.117 120.400 0.280 0.000 2.235 299 K HA 0.910 5.230 4.320 -0.000 0.000 0.266 299 K C 0.084 176.909 176.600 0.375 0.000 0.980 299 K CA -0.297 56.150 56.287 0.266 0.000 0.849 299 K CB 1.285 33.875 32.500 0.150 0.000 1.098 299 K HN 2.029 nan 8.250 nan 0.000 0.445 300 A N 2.104 125.113 122.820 0.315 0.000 2.440 300 A HA 0.602 4.922 4.320 -0.000 0.000 0.251 300 A C 0.003 177.543 177.584 -0.074 0.000 1.089 300 A CA -0.300 51.699 52.037 -0.062 0.000 0.779 300 A CB -0.315 18.617 19.000 -0.113 0.000 1.022 300 A HN 0.787 nan 8.150 nan 0.000 0.492 301 I N 2.795 123.254 120.570 -0.185 0.000 2.306 301 I HA 0.203 4.373 4.170 -0.000 0.000 0.288 301 I C -0.248 175.776 176.117 -0.154 0.000 1.036 301 I CA 0.050 61.289 61.300 -0.101 0.000 1.221 301 I CB 1.186 39.144 38.000 -0.071 0.000 1.385 301 I HN 0.543 nan 8.210 nan 0.000 0.472 302 T N 6.485 120.982 114.554 -0.096 0.000 2.874 302 T HA 0.416 4.766 4.350 -0.000 0.000 0.321 302 T C -1.655 173.008 174.700 -0.061 0.000 1.075 302 T CA -0.959 61.091 62.100 -0.084 0.000 0.966 302 T CB 0.838 69.676 68.868 -0.051 0.000 1.001 302 T HN 0.464 nan 8.240 nan 0.000 0.476 303 P HA 0.533 nan 4.420 nan 0.000 0.281 303 P C -3.055 174.159 177.300 -0.144 0.000 1.281 303 P CA -2.069 60.974 63.100 -0.095 0.000 0.811 303 P CB 0.063 31.721 31.700 -0.070 0.000 1.154 304 P HA 0.081 nan 4.420 nan 0.000 0.266 304 P C -0.342 176.793 177.300 -0.275 0.000 1.195 304 P CA 0.372 63.270 63.100 -0.336 0.000 0.768 304 P CB -0.045 31.293 31.700 -0.603 0.000 0.838 305 T N 5.477 119.870 114.554 -0.269 0.000 2.814 305 T HA 0.237 4.587 4.350 -0.000 0.000 0.297 305 T C -2.100 172.466 174.700 -0.224 0.000 0.956 305 T CA -1.015 60.957 62.100 -0.214 0.000 1.123 305 T CB -0.137 68.599 68.868 -0.220 0.000 0.902 305 T HN 0.277 nan 8.240 nan 0.000 0.528 306 P HA 0.186 nan 4.420 nan 0.000 0.269 306 P C -0.520 176.702 177.300 -0.130 0.000 1.217 306 P CA -0.459 62.560 63.100 -0.135 0.000 0.783 306 P CB 0.323 31.966 31.700 -0.095 0.000 0.898 307 A N 2.173 124.932 122.820 -0.102 0.000 2.573 307 A HA 0.060 4.380 4.320 -0.000 0.000 0.250 307 A C 0.130 177.659 177.584 -0.092 0.000 1.049 307 A CA 0.228 52.210 52.037 -0.092 0.000 0.767 307 A CB -0.825 18.136 19.000 -0.066 0.000 0.965 307 A HN 0.366 nan 8.150 nan 0.000 0.514 308 V N 6.412 126.264 119.914 -0.104 0.000 2.408 308 V HA 0.102 4.222 4.120 -0.000 0.000 0.267 308 V C 1.556 177.613 176.094 -0.062 0.000 1.047 308 V CA -0.483 61.765 62.300 -0.087 0.000 0.937 308 V CB 0.777 32.535 31.823 -0.109 0.000 0.999 308 V HN 1.038 nan 8.190 nan 0.000 0.472 309 R N 3.914 124.386 120.500 -0.048 0.000 2.083 309 R HA -0.091 4.249 4.340 -0.000 0.000 0.237 309 R C 1.297 177.584 176.300 -0.022 0.000 1.137 309 R CA 1.530 57.605 56.100 -0.042 0.000 0.951 309 R CB -0.315 29.962 30.300 -0.038 0.000 0.851 309 R HN 0.720 nan 8.270 nan 0.000 0.434 310 A N 2.037 124.872 122.820 0.026 0.000 3.037 310 A HA 0.290 4.610 4.320 -0.000 0.000 0.272 310 A C -0.456 177.238 177.584 0.183 0.000 1.723 310 A CA 0.029 52.138 52.037 0.121 0.000 1.413 310 A CB 0.022 19.124 19.000 0.171 0.000 1.112 310 A HN 0.090 nan 8.150 nan 0.000 0.606 311 S N 0.753 116.528 115.700 0.125 0.000 2.569 311 S HA 0.560 5.030 4.470 -0.000 0.000 0.280 311 S C -1.049 173.643 174.600 0.154 0.000 1.111 311 S CA -0.586 57.702 58.200 0.146 0.000 0.887 311 S CB 1.283 64.476 63.200 -0.011 0.000 1.095 311 S HN 0.712 nan 8.310 nan 0.000 0.476 312 W N 3.644 124.981 121.300 0.061 0.000 2.314 312 W HA 0.594 5.254 4.660 -0.000 0.000 0.310 312 W C -1.913 174.475 176.519 -0.219 0.000 1.075 312 W CA -0.514 56.822 57.345 -0.016 0.000 1.253 312 W CB 0.693 30.245 29.460 0.154 0.000 1.238 312 W HN 0.346 nan 8.180 nan 0.000 0.440 313 V N 7.517 126.993 119.914 -0.730 0.000 2.459 313 V HA 0.441 4.561 4.120 -0.000 0.000 0.295 313 V C -0.095 175.632 176.094 -0.612 0.000 1.029 313 V CA -0.355 61.491 62.300 -0.758 0.000 0.874 313 V CB 1.387 32.233 31.823 -1.629 0.000 0.985 313 V HN 0.695 nan 8.190 nan 0.000 0.438 314 H N 2.517 121.547 119.070 -0.066 0.000 2.948 314 H HA 0.899 5.455 4.556 -0.000 0.000 0.315 314 H C -1.304 174.290 175.328 0.443 0.000 1.360 314 H CA -1.287 54.838 56.048 0.128 0.000 1.125 314 H CB 2.201 32.061 29.762 0.162 0.000 1.844 314 H HN 0.438 nan 8.280 nan 0.000 0.529 315 K N 1.099 121.612 120.400 0.189 0.000 2.570 315 K HA 0.268 4.588 4.320 -0.000 0.000 0.256 315 K C -1.446 175.264 176.600 0.183 0.000 0.939 315 K CA -0.058 56.291 56.287 0.102 0.000 0.833 315 K CB 2.109 34.649 32.500 0.067 0.000 1.318 315 K HN 0.923 nan 8.250 nan 0.000 0.433 316 T N -0.060 114.610 114.554 0.194 0.000 2.934 316 T HA 0.879 5.229 4.350 -0.000 0.000 0.283 316 T C 0.275 175.077 174.700 0.171 0.000 1.005 316 T CA -0.537 61.722 62.100 0.265 0.000 1.041 316 T CB 1.668 70.600 68.868 0.107 0.000 1.042 316 T HN 0.639 nan 8.240 nan 0.000 0.505 317 G N -0.560 108.344 108.800 0.174 0.000 2.733 317 G HA2 0.754 4.714 3.960 -0.000 0.000 0.297 317 G HA3 0.754 4.714 3.960 -0.000 0.000 0.297 317 G C -1.507 173.484 174.900 0.151 0.000 1.422 317 G CA -0.584 44.618 45.100 0.169 0.000 0.942 317 G HN 1.132 nan 8.290 nan 0.000 0.510 318 A N 0.407 123.312 122.820 0.143 0.000 2.606 318 A HA 0.996 5.316 4.320 -0.000 0.000 0.293 318 A C -0.038 177.630 177.584 0.140 0.000 1.082 318 A CA 0.086 52.211 52.037 0.146 0.000 0.685 318 A CB 1.733 20.783 19.000 0.084 0.000 1.284 318 A HN 1.909 nan 8.150 nan 0.000 0.408 319 T N -2.437 112.234 114.554 0.196 0.000 2.716 319 T HA 0.628 4.978 4.350 -0.000 0.000 0.286 319 T C 1.278 176.084 174.700 0.177 0.000 1.052 319 T CA 0.161 62.356 62.100 0.158 0.000 1.024 319 T CB 0.925 69.938 68.868 0.241 0.000 1.349 319 T HN 1.611 nan 8.240 nan 0.000 0.525 320 G N -0.239 108.653 108.800 0.154 0.000 2.442 320 G HA2 0.158 4.118 3.960 -0.000 0.000 0.219 320 G HA3 0.158 4.118 3.960 -0.000 0.000 0.219 320 G C 1.143 176.135 174.900 0.153 0.000 1.141 320 G CA 0.689 45.868 45.100 0.131 0.000 0.763 320 G HN 1.212 nan 8.290 nan 0.000 0.554 321 G N -1.364 107.570 108.800 0.223 0.000 3.377 321 G HA2 0.487 4.447 3.960 -0.000 0.000 0.257 321 G HA3 0.487 4.447 3.960 -0.000 0.000 0.257 321 G C -0.429 174.429 174.900 -0.071 0.000 1.038 321 G CA -0.477 44.663 45.100 0.066 0.000 0.809 321 G HN 0.193 nan 8.290 nan 0.000 0.526 322 F N -0.490 119.589 119.950 0.214 0.000 2.603 322 F HA 0.717 5.244 4.527 -0.000 0.000 0.317 322 F C 0.328 176.262 175.800 0.223 0.000 1.066 322 F CA -1.080 57.082 58.000 0.270 0.000 0.941 322 F CB 2.494 41.674 39.000 0.300 0.000 1.291 322 F HN 0.011 nan 8.300 nan 0.000 0.472 323 G N 0.669 109.741 108.800 0.454 0.000 2.723 323 G HA2 0.563 4.523 3.960 -0.000 0.000 0.295 323 G HA3 0.563 4.523 3.960 -0.000 0.000 0.295 323 G C -1.583 173.488 174.900 0.285 0.000 1.464 323 G CA -0.727 44.528 45.100 0.258 0.000 1.012 323 G HN 0.737 nan 8.290 nan 0.000 0.522 324 S N 0.831 116.668 115.700 0.230 0.000 2.599 324 S HA 0.863 5.333 4.470 -0.000 0.000 0.294 324 S C -1.441 173.347 174.600 0.312 0.000 1.094 324 S CA -1.011 57.343 58.200 0.256 0.000 0.931 324 S CB 2.491 65.835 63.200 0.240 0.000 1.093 324 S HN 1.101 nan 8.310 nan 0.000 0.488 325 Y N 0.024 120.427 120.300 0.170 0.000 2.521 325 Y HA 0.628 5.178 4.550 -0.000 0.000 0.332 325 Y C -2.030 174.018 175.900 0.247 0.000 1.121 325 Y CA -0.938 57.276 58.100 0.191 0.000 1.037 325 Y CB 1.549 40.120 38.460 0.185 0.000 1.330 325 Y HN 0.776 nan 8.280 nan 0.000 0.452 326 V N 4.232 123.952 119.914 -0.324 0.000 2.760 326 V HA 0.972 5.092 4.120 -0.000 0.000 0.309 326 V C -0.920 174.929 176.094 -0.408 0.000 1.077 326 V CA -0.294 61.931 62.300 -0.125 0.000 0.910 326 V CB 1.536 33.537 31.823 0.297 0.000 1.008 326 V HN 1.027 nan 8.190 nan 0.000 0.424 327 A N 4.632 127.252 122.820 -0.335 0.000 2.520 327 A HA 1.026 5.346 4.320 -0.000 0.000 0.298 327 A C -1.288 176.016 177.584 -0.467 0.000 1.051 327 A CA -0.498 51.202 52.037 -0.561 0.000 0.690 327 A CB 1.731 20.305 19.000 -0.710 0.000 1.281 327 A HN 1.427 nan 8.150 nan 0.000 0.402 328 F N -0.571 118.934 119.950 -0.741 0.000 2.668 328 F HA 0.847 5.374 4.527 -0.000 0.000 0.309 328 F C -1.351 174.091 175.800 -0.597 0.000 1.117 328 F CA -1.295 56.345 58.000 -0.599 0.000 0.951 328 F CB 1.357 40.066 39.000 -0.484 0.000 1.323 328 F HN 0.312 nan 8.300 nan 0.000 0.451 329 I N 2.323 122.719 120.570 -0.290 0.000 2.466 329 I HA 0.311 4.481 4.170 -0.000 0.000 0.279 329 I C -2.123 173.887 176.117 -0.179 0.000 1.033 329 I CA -1.883 59.208 61.300 -0.350 0.000 1.123 329 I CB 1.873 39.520 38.000 -0.588 0.000 1.237 329 I HN 0.374 nan 8.210 nan 0.000 0.460 330 P HA -0.222 nan 4.420 nan 0.000 0.216 330 P C 1.667 178.901 177.300 -0.110 0.000 1.153 330 P CA 1.953 65.016 63.100 -0.061 0.000 0.858 330 P CB 0.301 31.979 31.700 -0.037 0.000 0.789 331 E N 0.831 120.961 120.200 -0.116 0.000 2.130 331 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 331 E C 1.787 178.313 176.600 -0.124 0.000 0.998 331 E CA 1.493 57.834 56.400 -0.099 0.000 0.806 331 E CB -1.294 28.368 29.700 -0.063 0.000 0.738 331 E HN 0.314 nan 8.360 nan 0.000 0.459 332 K N -1.444 118.844 120.400 -0.187 0.000 2.404 332 K HA 0.253 4.573 4.320 -0.000 0.000 0.194 332 K C 1.007 177.500 176.600 -0.178 0.000 1.023 332 K CA 0.962 57.137 56.287 -0.186 0.000 1.094 332 K CB 0.517 32.866 32.500 -0.252 0.000 0.841 332 K HN 0.680 nan 8.250 nan 0.000 0.523 333 E N 0.809 120.909 120.200 -0.166 0.000 2.389 333 E HA -0.195 4.155 4.350 -0.000 0.000 0.243 333 E C -0.394 176.116 176.600 -0.151 0.000 1.154 333 E CA 1.146 57.450 56.400 -0.161 0.000 0.723 333 E CB -2.585 27.017 29.700 -0.163 0.000 1.261 333 E HN 0.224 nan 8.360 nan 0.000 0.390 334 L N -0.809 120.327 121.223 -0.145 0.000 2.362 334 L HA 0.913 5.253 4.340 -0.000 0.000 0.275 334 L C 0.600 177.410 176.870 -0.099 0.000 0.998 334 L CA 0.269 55.049 54.840 -0.100 0.000 0.820 334 L CB 1.997 43.980 42.059 -0.125 0.000 1.270 334 L HN 0.764 nan 8.230 nan 0.000 0.415 335 G N 4.209 112.982 108.800 -0.046 0.000 2.660 335 G HA2 0.641 4.601 3.960 -0.000 0.000 0.290 335 G HA3 0.641 4.601 3.960 -0.000 0.000 0.290 335 G C -2.179 172.726 174.900 0.007 0.000 1.432 335 G CA -0.467 44.606 45.100 -0.045 0.000 0.807 335 G HN 0.763 nan 8.290 nan 0.000 0.485 336 I N -0.261 120.317 120.570 0.015 0.000 2.827 336 I HA 0.668 4.838 4.170 -0.000 0.000 0.298 336 I C -1.390 174.793 176.117 0.110 0.000 1.235 336 I CA -0.981 60.370 61.300 0.086 0.000 1.021 336 I CB 2.351 40.423 38.000 0.120 0.000 1.259 336 I HN 0.385 nan 8.210 nan 0.000 0.427 337 V N 7.214 127.229 119.914 0.169 0.000 2.638 337 V HA 0.528 4.648 4.120 -0.000 0.000 0.306 337 V C -0.531 175.696 176.094 0.222 0.000 1.052 337 V CA -0.435 61.982 62.300 0.195 0.000 0.885 337 V CB 1.839 33.790 31.823 0.214 0.000 0.999 337 V HN 0.641 nan 8.190 nan 0.000 0.424 338 M N 6.188 125.930 119.600 0.237 0.000 2.142 338 M HA 0.608 5.088 4.480 -0.000 0.000 0.299 338 M C -1.355 175.049 176.300 0.174 0.000 0.960 338 M CA -0.165 55.275 55.300 0.234 0.000 0.920 338 M CB 1.860 34.646 32.600 0.310 0.000 1.541 338 M HN 0.391 nan 8.290 nan 0.000 0.429 339 L N 2.889 124.120 121.223 0.013 0.000 2.333 339 L HA 0.987 5.327 4.340 -0.000 0.000 0.280 339 L C -0.422 176.325 176.870 -0.204 0.000 1.004 339 L CA -0.726 53.989 54.840 -0.209 0.000 0.820 339 L CB 1.813 43.406 42.059 -0.777 0.000 1.247 339 L HN 0.787 nan 8.230 nan 0.000 0.416 340 A N 1.915 124.859 122.820 0.206 0.000 2.475 340 A HA 0.592 4.912 4.320 -0.000 0.000 0.301 340 A C -0.491 177.458 177.584 0.608 0.000 1.059 340 A CA -0.765 51.519 52.037 0.413 0.000 0.710 340 A CB 1.317 20.535 19.000 0.364 0.000 1.288 340 A HN 0.756 nan 8.150 nan 0.000 0.408 341 N N 1.199 120.190 118.700 0.486 0.000 2.802 341 N HA 0.204 4.944 4.740 -0.000 0.000 0.288 341 N C -0.514 174.974 175.510 -0.037 0.000 1.268 341 N CA -0.104 52.916 53.050 -0.051 0.000 1.035 341 N CB 0.170 38.593 38.487 -0.106 0.000 1.353 341 N HN 0.603 nan 8.380 nan 0.000 0.522 342 K N 0.131 120.609 120.400 0.128 0.000 2.557 342 K HA 0.208 4.528 4.320 -0.000 0.000 0.257 342 K C -1.725 175.053 176.600 0.297 0.000 0.933 342 K CA -0.654 55.736 56.287 0.173 0.000 0.820 342 K CB 1.136 33.735 32.500 0.166 0.000 1.330 342 K HN -0.008 nan 8.250 nan 0.000 0.432 343 N N 4.228 123.065 118.700 0.229 0.000 2.555 343 N HA 0.126 4.866 4.740 -0.000 0.000 0.244 343 N C -1.362 174.267 175.510 0.199 0.000 1.114 343 N CA -0.165 53.005 53.050 0.200 0.000 0.963 343 N CB -0.127 38.443 38.487 0.139 0.000 1.276 343 N HN 0.466 nan 8.380 nan 0.000 0.510 344 Y N 1.193 121.534 120.300 0.069 0.000 2.488 344 Y HA 0.743 5.293 4.550 -0.000 0.000 0.325 344 Y C -2.317 173.602 175.900 0.031 0.000 1.204 344 Y CA -3.098 55.027 58.100 0.041 0.000 1.229 344 Y CB -0.246 38.232 38.460 0.031 0.000 1.274 344 Y HN 0.265 nan 8.280 nan 0.000 0.493 345 P HA -0.054 nan 4.420 nan 0.000 0.261 345 P C 0.008 177.190 177.300 -0.196 0.000 1.173 345 P CA 0.441 63.500 63.100 -0.068 0.000 0.760 345 P CB 0.644 32.353 31.700 0.016 0.000 0.783 346 N N 4.772 123.360 118.700 -0.186 0.000 2.061 346 N HA -0.137 4.603 4.740 -0.000 0.000 0.193 346 N C -0.852 174.549 175.510 -0.183 0.000 1.030 346 N CA 1.854 54.776 53.050 -0.213 0.000 0.856 346 N CB -1.818 36.576 38.487 -0.156 0.000 1.023 346 N HN 0.449 nan 8.380 nan 0.000 0.424 347 P HA -0.044 nan 4.420 nan 0.000 0.218 347 P C 0.987 178.258 177.300 -0.048 0.000 1.148 347 P CA 1.342 64.392 63.100 -0.083 0.000 0.822 347 P CB -0.044 31.622 31.700 -0.057 0.000 0.784 348 A N -0.014 122.803 122.820 -0.005 0.000 1.930 348 A HA -0.190 4.129 4.320 -0.000 0.000 0.217 348 A C 2.193 179.846 177.584 0.115 0.000 1.175 348 A CA 1.274 53.364 52.037 0.088 0.000 0.627 348 A CB -0.875 18.252 19.000 0.210 0.000 0.815 348 A HN 0.109 nan 8.150 nan 0.000 0.443 349 R N -0.577 119.932 120.500 0.015 0.000 2.066 349 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 349 R C 1.968 178.200 176.300 -0.113 0.000 1.131 349 R CA 1.498 57.593 56.100 -0.009 0.000 0.955 349 R CB -0.719 29.439 30.300 -0.236 0.000 0.851 349 R HN 0.356 nan 8.270 nan 0.000 0.432 350 V N 1.767 121.505 119.914 -0.293 0.000 2.427 350 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 350 V C 1.938 178.093 176.094 0.102 0.000 1.051 350 V CA 2.109 64.279 62.300 -0.216 0.000 1.048 350 V CB -0.573 31.134 31.823 -0.194 0.000 0.666 350 V HN 0.315 nan 8.190 nan 0.000 0.456 351 D N 0.571 121.011 120.400 0.067 0.000 2.117 351 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 351 D C 2.122 178.558 176.300 0.227 0.000 0.987 351 D CA 1.586 55.669 54.000 0.139 0.000 0.829 351 D CB -0.138 40.706 40.800 0.073 0.000 0.961 351 D HN 0.348 nan 8.370 nan 0.000 0.460 352 A N 0.555 123.481 122.820 0.176 0.000 1.877 352 A HA 0.047 4.367 4.320 -0.000 0.000 0.216 352 A C 2.419 180.147 177.584 0.240 0.000 1.186 352 A CA 2.288 54.426 52.037 0.170 0.000 0.620 352 A CB -1.185 17.890 19.000 0.126 0.000 0.822 352 A HN 0.334 nan 8.150 nan 0.000 0.443 353 A N -1.028 121.999 122.820 0.345 0.000 1.908 353 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 353 A C 2.123 180.029 177.584 0.536 0.000 1.181 353 A CA 1.492 53.817 52.037 0.480 0.000 0.627 353 A CB -0.988 18.486 19.000 0.789 0.000 0.818 353 A HN 0.901 nan 8.150 nan 0.000 0.445 354 W N 0.695 122.222 121.300 0.378 0.000 2.355 354 W HA -0.201 4.459 4.660 -0.000 0.000 0.309 354 W C 1.888 178.538 176.519 0.220 0.000 1.206 354 W CA 2.028 59.550 57.345 0.296 0.000 1.284 354 W CB -0.333 29.169 29.460 0.071 0.000 1.145 354 W HN 0.415 nan 8.180 nan 0.000 0.502 355 Q N 0.688 120.554 119.800 0.110 0.000 2.096 355 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 355 Q C 2.297 178.244 176.000 -0.087 0.000 0.982 355 Q CA 2.188 57.974 55.803 -0.028 0.000 0.850 355 Q CB -0.842 27.950 28.738 0.089 0.000 0.901 355 Q HN 0.492 nan 8.270 nan 0.000 0.422 356 I N 0.391 120.964 120.570 0.004 0.000 2.163 356 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 356 I C 2.339 178.436 176.117 -0.033 0.000 1.081 356 I CA 0.911 62.204 61.300 -0.011 0.000 1.353 356 I CB -0.306 37.712 38.000 0.030 0.000 1.054 356 I HN 0.114 nan 8.210 nan 0.000 0.407 357 L N 0.351 121.586 121.223 0.020 0.000 2.141 357 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 357 L C 2.198 179.012 176.870 -0.093 0.000 1.094 357 L CA 1.209 56.056 54.840 0.011 0.000 0.763 357 L CB -0.763 41.372 42.059 0.126 0.000 0.908 357 L HN 0.332 nan 8.230 nan 0.000 0.437 358 N N 0.468 118.978 118.700 -0.316 0.000 2.331 358 N HA -0.104 4.636 4.740 -0.000 0.000 0.180 358 N C 1.734 177.129 175.510 -0.192 0.000 1.019 358 N CA 1.191 53.987 53.050 -0.423 0.000 0.881 358 N CB 0.088 37.914 38.487 -1.102 0.000 0.972 358 N HN 0.257 nan 8.380 nan 0.000 0.435 359 A N -0.168 122.557 122.820 -0.159 0.000 2.014 359 A HA 0.072 4.392 4.320 -0.000 0.000 0.218 359 A C 1.957 179.514 177.584 -0.046 0.000 1.163 359 A CA 0.728 52.714 52.037 -0.084 0.000 0.652 359 A CB -0.324 18.629 19.000 -0.079 0.000 0.808 359 A HN 0.338 nan 8.150 nan 0.000 0.449 360 L N -0.537 120.666 121.223 -0.033 0.000 2.513 360 L HA 0.049 4.389 4.340 -0.000 0.000 0.222 360 L C 1.683 178.624 176.870 0.119 0.000 1.096 360 L CA -0.131 54.727 54.840 0.030 0.000 0.857 360 L CB -0.213 41.859 42.059 0.021 0.000 1.026 360 L HN 0.531 nan 8.230 nan 0.000 0.469 361 Q N 0.000 119.833 119.800 0.055 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.835 55.803 0.053 0.000 1.022 361 Q CB 0.000 28.774 28.738 0.060 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481