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 1sio_1_A DATA FIRST_RESID 1 DATA SEQUENCE AAPTAYTPLD VAQAYQFPEG LDGQGQCIAI IELGGGYDEA SLAQYFASLG DATA SEQUENCE VPAPQVVSVS VDGASNQPTG DPSGPDGEVE LDIEVAGALA PGAKFAVYFA DATA SEQUENCE PNTDAGFLDA ITTAIHDPTL KPSVVSISWG GPEDSWTSAA IAAMNRAFLD DATA SEQUENCE AAALGVTVLA AAGDSGSTDG EQDGLYHVDF PAASPYVLAC GGTRLVASGG DATA SEQUENCE RIAQETVWND GPDGGATGGG VSRIFPLPAW QEHANVPPSA NPGASSGRGV DATA SEQUENCE PDLAGNADPA TGYEVVIDGE ATVIGGTSAV APLFAALVAR INQKLGKAVG DATA SEQUENCE YLNPTLYQLP ADVFHDITEG NNDIANRAQI YQAGPGWDPC TGLGSPIGVR DATA SEQUENCE LLQALLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.570 177.584 -0.024 0.000 1.274 1 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 1 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 2 A N 1.535 124.345 122.820 -0.017 0.000 2.520 2 A HA 0.529 4.849 4.320 -0.000 0.000 0.235 2 A C -2.146 175.400 177.584 -0.064 0.000 1.065 2 A CA -0.268 51.760 52.037 -0.016 0.000 0.764 2 A CB -0.999 18.005 19.000 0.008 0.000 1.002 2 A HN 0.299 nan 8.150 nan 0.000 0.502 3 P HA 0.112 nan 4.420 nan 0.000 0.266 3 P C 0.864 177.979 177.300 -0.308 0.000 1.195 3 P CA 0.488 63.431 63.100 -0.261 0.000 0.768 3 P CB 0.549 31.973 31.700 -0.460 0.000 0.838 4 T N -1.063 113.319 114.554 -0.287 0.000 3.086 4 T HA 0.543 4.893 4.350 -0.000 0.000 0.250 4 T C 0.409 174.927 174.700 -0.304 0.000 1.074 4 T CA 0.074 62.035 62.100 -0.232 0.000 0.988 4 T CB -0.012 68.769 68.868 -0.145 0.000 0.988 4 T HN 0.525 nan 8.240 nan 0.000 0.530 5 A N 0.053 122.577 122.820 -0.493 0.000 2.608 5 A HA 0.705 5.025 4.320 -0.000 0.000 0.292 5 A C -2.163 174.982 177.584 -0.731 0.000 1.066 5 A CA -1.089 50.678 52.037 -0.451 0.000 0.676 5 A CB 0.983 19.838 19.000 -0.242 0.000 1.277 5 A HN 0.252 nan 8.150 nan 0.000 0.413 6 Y N -0.384 119.789 120.300 -0.212 0.000 2.553 6 Y HA 0.651 5.201 4.550 -0.000 0.000 0.347 6 Y C 0.924 176.752 175.900 -0.119 0.000 1.019 6 Y CA -0.023 57.956 58.100 -0.202 0.000 1.032 6 Y CB 2.235 40.510 38.460 -0.309 0.000 1.284 6 Y HN 0.894 nan 8.280 nan 0.000 0.466 7 T N -1.586 113.040 114.554 0.121 0.000 2.899 7 T HA 0.295 4.645 4.350 -0.000 0.000 0.284 7 T C -2.199 172.585 174.700 0.139 0.000 1.004 7 T CA -2.097 60.078 62.100 0.126 0.000 1.043 7 T CB 1.584 70.496 68.868 0.074 0.000 1.013 7 T HN 0.304 nan 8.240 nan 0.000 0.518 8 P HA -0.073 nan 4.420 nan 0.000 0.217 8 P C 1.626 178.907 177.300 -0.031 0.000 1.148 8 P CA 1.061 64.244 63.100 0.138 0.000 0.834 8 P CB -0.138 31.638 31.700 0.127 0.000 0.783 9 L N -0.880 120.336 121.223 -0.012 0.000 2.093 9 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 9 L C 1.961 178.757 176.870 -0.122 0.000 1.085 9 L CA 1.423 56.223 54.840 -0.067 0.000 0.755 9 L CB -1.036 41.010 42.059 -0.022 0.000 0.904 9 L HN -0.008 nan 8.230 nan 0.000 0.435 10 D N 0.007 120.353 120.400 -0.090 0.000 2.117 10 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 10 D C 2.367 178.456 176.300 -0.351 0.000 0.987 10 D CA 1.120 55.033 54.000 -0.144 0.000 0.829 10 D CB -0.171 40.630 40.800 0.003 0.000 0.961 10 D HN 0.134 nan 8.370 nan 0.000 0.460 11 V N 1.617 121.287 119.914 -0.407 0.000 2.358 11 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 11 V C 2.592 178.255 176.094 -0.718 0.000 1.047 11 V CA 1.747 63.656 62.300 -0.651 0.000 1.035 11 V CB -0.842 30.715 31.823 -0.442 0.000 0.658 11 V HN 0.170 nan 8.190 nan 0.000 0.452 12 A N -0.821 121.629 122.820 -0.616 0.000 1.933 12 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 12 A C 2.274 179.626 177.584 -0.386 0.000 1.175 12 A CA 2.051 53.562 52.037 -0.877 0.000 0.628 12 A CB -0.533 17.859 19.000 -1.012 0.000 0.814 12 A HN 0.594 nan 8.150 nan 0.000 0.444 13 Q N -0.550 119.088 119.800 -0.270 0.000 2.084 13 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 13 Q C 2.220 178.148 176.000 -0.121 0.000 0.978 13 Q CA 1.479 57.203 55.803 -0.132 0.000 0.844 13 Q CB -0.318 28.351 28.738 -0.114 0.000 0.898 13 Q HN 0.609 nan 8.270 nan 0.000 0.426 14 A N 0.042 122.717 122.820 -0.242 0.000 1.933 14 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 14 A C 1.146 178.746 177.584 0.026 0.000 1.175 14 A CA 1.116 53.033 52.037 -0.200 0.000 0.628 14 A CB -0.597 18.156 19.000 -0.413 0.000 0.814 14 A HN 0.506 nan 8.150 nan 0.000 0.444 15 Y N 0.172 120.466 120.300 -0.010 0.000 2.470 15 Y HA 0.218 4.768 4.550 -0.000 0.000 0.302 15 Y C 0.518 176.538 175.900 0.200 0.000 1.194 15 Y CA -0.370 57.804 58.100 0.123 0.000 1.271 15 Y CB -1.360 37.278 38.460 0.296 0.000 1.092 15 Y HN 0.523 nan 8.280 nan 0.000 0.513 16 Q N -0.322 119.631 119.800 0.256 0.000 2.417 16 Q HA -0.238 4.102 4.340 -0.000 0.000 0.350 16 Q C -0.755 175.422 176.000 0.294 0.000 1.364 16 Q CA 0.139 56.059 55.803 0.195 0.000 1.024 16 Q CB -1.638 27.166 28.738 0.111 0.000 1.235 16 Q HN 0.180 nan 8.270 nan 0.000 0.388 17 F N 1.725 121.717 119.950 0.070 0.000 2.553 17 F HA 0.108 4.635 4.527 -0.000 0.000 0.356 17 F C -1.263 174.555 175.800 0.031 0.000 1.142 17 F CA -1.965 56.074 58.000 0.063 0.000 1.322 17 F CB -0.018 39.033 39.000 0.084 0.000 1.126 17 F HN 0.133 nan 8.300 nan 0.000 0.599 18 P HA 0.080 nan 4.420 nan 0.000 0.276 18 P C -0.725 176.627 177.300 0.086 0.000 1.243 18 P CA -0.091 63.044 63.100 0.059 0.000 0.768 18 P CB 0.601 32.296 31.700 -0.009 0.000 0.856 19 E N 1.296 121.537 120.200 0.069 0.000 2.345 19 E HA 0.378 4.727 4.350 -0.000 0.000 0.259 19 E C 1.080 177.705 176.600 0.042 0.000 1.117 19 E CA -0.216 56.222 56.400 0.063 0.000 0.913 19 E CB 0.105 29.834 29.700 0.049 0.000 1.057 19 E HN 0.693 nan 8.360 nan 0.000 0.432 20 G N 1.193 110.018 108.800 0.041 0.000 2.168 20 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 20 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 20 G C -0.156 174.761 174.900 0.030 0.000 0.997 20 G CA 0.221 45.339 45.100 0.030 0.000 0.708 20 G HN 0.268 nan 8.290 nan 0.000 0.520 21 L N 0.445 121.694 121.223 0.042 0.000 2.333 21 L HA 0.559 4.899 4.340 -0.000 0.000 0.280 21 L C 0.288 177.193 176.870 0.057 0.000 1.004 21 L CA -0.515 54.347 54.840 0.037 0.000 0.820 21 L CB 1.784 43.858 42.059 0.025 0.000 1.247 21 L HN 0.217 nan 8.230 nan 0.000 0.416 22 D N 0.502 120.930 120.400 0.047 0.000 2.503 22 D HA 0.179 4.819 4.640 -0.000 0.000 0.218 22 D C 1.111 177.445 176.300 0.057 0.000 1.183 22 D CA 0.337 54.375 54.000 0.063 0.000 0.827 22 D CB 1.027 41.856 40.800 0.049 0.000 1.034 22 D HN 0.670 nan 8.370 nan 0.000 0.510 23 G N 0.793 109.612 108.800 0.032 0.000 2.176 23 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.253 23 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.253 23 G C 0.234 175.123 174.900 -0.018 0.000 0.979 23 G CA 0.280 45.383 45.100 0.004 0.000 0.641 23 G HN 0.674 nan 8.290 nan 0.000 0.530 24 Q N 0.186 119.983 119.800 -0.005 0.000 2.304 24 Q HA 0.397 4.737 4.340 -0.000 0.000 0.315 24 Q C 1.514 177.501 176.000 -0.022 0.000 1.075 24 Q CA 2.119 57.915 55.803 -0.012 0.000 0.988 24 Q CB 0.186 28.922 28.738 -0.003 0.000 1.146 24 Q HN 1.948 nan 8.270 nan 0.000 0.383 25 G N 2.481 111.265 108.800 -0.028 0.000 2.175 25 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 25 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 25 G C -0.392 174.484 174.900 -0.040 0.000 0.982 25 G CA 0.228 45.311 45.100 -0.028 0.000 0.641 25 G HN 0.647 nan 8.290 nan 0.000 0.527 26 Q N -0.776 118.987 119.800 -0.061 0.000 2.399 26 Q HA 0.653 4.993 4.340 -0.000 0.000 0.276 26 Q C -0.580 175.342 176.000 -0.130 0.000 1.098 26 Q CA -0.517 55.237 55.803 -0.081 0.000 0.827 26 Q CB 2.215 30.903 28.738 -0.082 0.000 1.386 26 Q HN 0.532 nan 8.270 nan 0.000 0.443 27 C N 2.443 121.667 119.300 -0.127 0.000 2.369 27 C HA 0.684 5.144 4.460 -0.000 0.000 0.322 27 C C -0.556 174.331 174.990 -0.172 0.000 1.258 27 C CA -0.446 58.472 59.018 -0.165 0.000 1.487 27 C CB -0.394 27.303 27.740 -0.071 0.000 2.165 27 C HN 0.742 nan 8.230 nan 0.000 0.483 28 I N 5.724 126.106 120.570 -0.313 0.000 2.339 28 I HA 0.497 4.667 4.170 -0.000 0.000 0.290 28 I C 0.623 176.729 176.117 -0.017 0.000 0.994 28 I CA -0.052 61.136 61.300 -0.187 0.000 1.191 28 I CB 1.510 39.353 38.000 -0.261 0.000 1.343 28 I HN 0.811 nan 8.210 nan 0.000 0.458 29 A N 7.995 130.873 122.820 0.097 0.000 2.301 29 A HA 0.795 5.115 4.320 -0.000 0.000 0.312 29 A C -0.484 177.233 177.584 0.223 0.000 1.182 29 A CA -0.381 51.801 52.037 0.243 0.000 0.826 29 A CB 0.453 19.586 19.000 0.222 0.000 1.134 29 A HN 0.690 nan 8.150 nan 0.000 0.501 30 I N 3.658 124.390 120.570 0.269 0.000 2.418 30 I HA 0.285 4.455 4.170 -0.000 0.000 0.287 30 I C -0.715 175.516 176.117 0.190 0.000 1.008 30 I CA -0.585 60.837 61.300 0.203 0.000 1.104 30 I CB 1.590 39.693 38.000 0.171 0.000 1.264 30 I HN 0.419 nan 8.210 nan 0.000 0.438 31 I N 5.620 126.298 120.570 0.180 0.000 2.396 31 I HA 0.393 4.562 4.170 -0.000 0.000 0.292 31 I C 0.043 176.176 176.117 0.026 0.000 0.999 31 I CA -0.376 60.999 61.300 0.125 0.000 1.310 31 I CB 1.148 39.263 38.000 0.191 0.000 1.404 31 I HN 0.507 nan 8.210 nan 0.000 0.496 32 E N 6.399 126.480 120.200 -0.198 0.000 2.275 32 E HA 0.399 4.749 4.350 -0.000 0.000 0.270 32 E C -0.188 176.092 176.600 -0.534 0.000 0.882 32 E CA -0.473 55.755 56.400 -0.287 0.000 0.758 32 E CB 2.657 32.155 29.700 -0.336 0.000 1.195 32 E HN 0.460 nan 8.360 nan 0.000 0.419 33 L N 0.699 121.231 121.223 -1.151 0.000 2.857 33 L HA 0.490 4.830 4.340 -0.000 0.000 0.249 33 L C 0.717 177.261 176.870 -0.544 0.000 1.172 33 L CA -0.171 54.055 54.840 -1.023 0.000 0.980 33 L CB 0.637 41.758 42.059 -1.564 0.000 1.299 33 L HN 0.566 nan 8.230 nan 0.000 0.535 34 G N -1.722 106.987 108.800 -0.152 0.000 2.349 34 G HA2 0.449 4.409 3.960 -0.000 0.000 0.294 34 G HA3 0.449 4.409 3.960 -0.000 0.000 0.294 34 G C -0.174 174.887 174.900 0.267 0.000 1.380 34 G CA -0.050 45.111 45.100 0.102 0.000 0.811 34 G HN 0.174 nan 8.290 nan 0.000 0.519 35 G N -1.107 107.806 108.800 0.188 0.000 2.578 35 G HA2 0.469 4.429 3.960 -0.000 0.000 0.284 35 G HA3 0.469 4.429 3.960 -0.000 0.000 0.284 35 G C 0.837 175.831 174.900 0.156 0.000 1.283 35 G CA 1.283 46.480 45.100 0.161 0.000 0.944 35 G HN 2.643 nan 8.290 nan 0.000 0.558 36 G N -2.935 105.970 108.800 0.175 0.000 2.427 36 G HA2 0.802 4.762 3.960 -0.000 0.000 0.306 36 G HA3 0.802 4.762 3.960 -0.000 0.000 0.306 36 G C -1.042 173.984 174.900 0.209 0.000 1.280 36 G CA 0.230 45.397 45.100 0.113 0.000 0.837 36 G HN 2.124 nan 8.290 nan 0.000 0.482 37 Y N -0.234 120.137 120.300 0.119 0.000 2.570 37 Y HA 0.806 5.356 4.550 -0.000 0.000 0.345 37 Y C -0.862 175.060 175.900 0.037 0.000 1.014 37 Y CA -1.385 56.767 58.100 0.086 0.000 1.063 37 Y CB 1.807 40.339 38.460 0.119 0.000 1.272 37 Y HN 0.686 nan 8.280 nan 0.000 0.477 38 D N -0.637 119.894 120.400 0.218 0.000 2.419 38 D HA 0.261 4.901 4.640 -0.000 0.000 0.234 38 D C 0.210 176.648 176.300 0.230 0.000 1.014 38 D CA -0.824 53.253 54.000 0.128 0.000 0.919 38 D CB 1.461 42.289 40.800 0.047 0.000 1.366 38 D HN 0.573 nan 8.370 nan 0.000 0.490 39 E N 0.575 120.883 120.200 0.179 0.000 2.150 39 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 39 E C 1.857 178.535 176.600 0.130 0.000 0.985 39 E CA 1.165 57.676 56.400 0.186 0.000 0.814 39 E CB -0.323 29.463 29.700 0.144 0.000 0.752 39 E HN 0.633 nan 8.360 nan 0.000 0.466 40 A N 1.264 124.139 122.820 0.092 0.000 1.877 40 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 40 A C 2.534 180.157 177.584 0.065 0.000 1.186 40 A CA 1.757 53.834 52.037 0.068 0.000 0.620 40 A CB -0.571 18.456 19.000 0.045 0.000 0.822 40 A HN 0.170 nan 8.150 nan 0.000 0.443 41 S N -0.107 115.632 115.700 0.064 0.000 2.359 41 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 41 S C 1.865 176.481 174.600 0.027 0.000 1.035 41 S CA 1.640 59.863 58.200 0.039 0.000 1.018 41 S CB -0.505 62.715 63.200 0.034 0.000 0.876 41 S HN 0.503 nan 8.310 nan 0.000 0.448 42 L N 0.968 122.221 121.223 0.049 0.000 2.027 42 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 42 L C 2.816 179.755 176.870 0.115 0.000 1.074 42 L CA 1.216 56.068 54.840 0.021 0.000 0.745 42 L CB -0.762 41.371 42.059 0.124 0.000 0.898 42 L HN 0.314 nan 8.230 nan 0.000 0.433 43 A N -0.495 122.422 122.820 0.161 0.000 1.902 43 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 43 A C 2.298 179.941 177.584 0.098 0.000 1.181 43 A CA 1.860 53.998 52.037 0.168 0.000 0.623 43 A CB -0.606 18.467 19.000 0.122 0.000 0.818 43 A HN 0.501 nan 8.150 nan 0.000 0.443 44 Q N -1.861 117.973 119.800 0.057 0.000 2.084 44 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 44 Q C 1.947 177.932 176.000 -0.025 0.000 0.978 44 Q CA 2.006 57.821 55.803 0.021 0.000 0.844 44 Q CB -0.354 28.397 28.738 0.022 0.000 0.898 44 Q HN 0.745 nan 8.270 nan 0.000 0.426 45 Y N 0.416 120.615 120.300 -0.168 0.000 2.053 45 Y HA -0.297 4.253 4.550 -0.000 0.000 0.277 45 Y C 1.711 177.445 175.900 -0.277 0.000 1.159 45 Y CA 2.217 60.136 58.100 -0.302 0.000 1.125 45 Y CB -0.704 37.427 38.460 -0.547 0.000 0.969 45 Y HN 0.141 nan 8.280 nan 0.000 0.492 46 F N -0.134 119.733 119.950 -0.138 0.000 2.234 46 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 46 F C 2.551 178.238 175.800 -0.189 0.000 1.087 46 F CA 0.971 58.843 58.000 -0.213 0.000 1.340 46 F CB -1.300 37.678 39.000 -0.037 0.000 1.031 46 F HN 0.183 nan 8.300 nan 0.000 0.500 47 A N -0.475 122.362 122.820 0.028 0.000 1.877 47 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 47 A C 2.429 179.972 177.584 -0.069 0.000 1.186 47 A CA 2.068 54.102 52.037 -0.005 0.000 0.620 47 A CB -1.108 17.898 19.000 0.010 0.000 0.822 47 A HN 0.293 nan 8.150 nan 0.000 0.443 48 S N -0.297 115.326 115.700 -0.128 0.000 2.382 48 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 48 S C 1.858 176.348 174.600 -0.184 0.000 1.027 48 S CA 1.118 59.233 58.200 -0.140 0.000 0.991 48 S CB -0.396 62.718 63.200 -0.142 0.000 0.823 48 S HN 0.484 nan 8.310 nan 0.000 0.469 49 L N 0.680 121.709 121.223 -0.324 0.000 2.046 49 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 49 L C 1.582 178.375 176.870 -0.128 0.000 1.077 49 L CA 1.458 56.120 54.840 -0.297 0.000 0.747 49 L CB -0.744 41.033 42.059 -0.471 0.000 0.896 49 L HN 0.595 nan 8.230 nan 0.000 0.432 50 G N -0.102 108.648 108.800 -0.083 0.000 2.141 50 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.195 50 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.195 50 G C -0.116 174.781 174.900 -0.006 0.000 1.012 50 G CA 0.162 45.241 45.100 -0.034 0.000 0.696 50 G HN 0.483 nan 8.290 nan 0.000 0.508 51 V N -2.725 117.202 119.914 0.023 0.000 2.823 51 V HA 0.948 5.068 4.120 -0.000 0.000 0.312 51 V C -2.295 173.798 176.094 -0.003 0.000 1.072 51 V CA -2.718 59.597 62.300 0.024 0.000 0.937 51 V CB 2.100 33.955 31.823 0.053 0.000 1.013 51 V HN 0.099 nan 8.190 nan 0.000 0.430 52 P HA 0.257 nan 4.420 nan 0.000 0.267 52 P C 0.055 177.233 177.300 -0.205 0.000 1.209 52 P CA 0.443 63.499 63.100 -0.073 0.000 0.763 52 P CB 0.575 32.244 31.700 -0.052 0.000 0.816 53 A N 6.758 129.457 122.820 -0.202 0.000 2.524 53 A HA 0.314 4.634 4.320 -0.000 0.000 0.250 53 A C -1.564 175.790 177.584 -0.384 0.000 1.078 53 A CA -0.722 51.055 52.037 -0.433 0.000 0.761 53 A CB -1.090 17.855 19.000 -0.092 0.000 1.012 53 A HN 0.436 nan 8.150 nan 0.000 0.500 54 P HA 0.126 nan 4.420 nan 0.000 0.276 54 P C -0.561 176.705 177.300 -0.057 0.000 1.252 54 P CA -0.550 62.440 63.100 -0.183 0.000 0.802 54 P CB 0.513 32.173 31.700 -0.066 0.000 1.035 55 Q N 0.739 120.568 119.800 0.049 0.000 2.286 55 Q HA 0.265 4.604 4.340 -0.000 0.000 0.267 55 Q C -1.131 174.955 176.000 0.143 0.000 1.028 55 Q CA -0.122 55.725 55.803 0.074 0.000 0.901 55 Q CB 0.259 29.032 28.738 0.059 0.000 1.183 55 Q HN 0.192 nan 8.270 nan 0.000 0.392 56 V N 5.199 125.172 119.914 0.099 0.000 2.540 56 V HA 0.466 4.586 4.120 -0.000 0.000 0.302 56 V C -0.348 175.830 176.094 0.140 0.000 1.035 56 V CA -0.811 61.551 62.300 0.104 0.000 0.873 56 V CB 1.618 33.391 31.823 -0.083 0.000 0.992 56 V HN 0.640 nan 8.190 nan 0.000 0.428 57 V N 1.472 121.473 119.914 0.146 0.000 2.531 57 V HA 0.728 4.848 4.120 -0.000 0.000 0.301 57 V C -0.107 176.079 176.094 0.153 0.000 1.034 57 V CA -0.290 62.093 62.300 0.138 0.000 0.865 57 V CB 1.761 33.622 31.823 0.062 0.000 0.995 57 V HN 0.704 nan 8.190 nan 0.000 0.424 58 S N 3.520 119.356 115.700 0.227 0.000 2.562 58 S HA 0.740 5.210 4.470 -0.000 0.000 0.275 58 S C -0.243 174.411 174.600 0.090 0.000 1.281 58 S CA -0.438 57.920 58.200 0.262 0.000 1.045 58 S CB 1.437 64.791 63.200 0.258 0.000 0.962 58 S HN 0.857 nan 8.310 nan 0.000 0.503 59 V N 2.589 122.533 119.914 0.050 0.000 2.531 59 V HA 0.410 4.530 4.120 -0.000 0.000 0.301 59 V C 0.049 176.223 176.094 0.134 0.000 1.034 59 V CA -0.806 61.480 62.300 -0.024 0.000 0.865 59 V CB 1.943 33.588 31.823 -0.297 0.000 0.995 59 V HN 0.833 nan 8.190 nan 0.000 0.424 60 S N 4.378 120.150 115.700 0.120 0.000 2.448 60 S HA 0.554 5.024 4.470 -0.000 0.000 0.279 60 S C -0.550 174.136 174.600 0.143 0.000 1.195 60 S CA -0.315 57.964 58.200 0.130 0.000 1.051 60 S CB 0.556 63.797 63.200 0.068 0.000 0.948 60 S HN 0.515 nan 8.310 nan 0.000 0.493 61 V N 5.328 125.341 119.914 0.165 0.000 2.495 61 V HA 0.368 4.488 4.120 -0.000 0.000 0.298 61 V C -0.310 175.844 176.094 0.100 0.000 1.031 61 V CA -0.649 61.739 62.300 0.145 0.000 0.871 61 V CB 1.539 33.468 31.823 0.177 0.000 0.988 61 V HN 0.995 nan 8.190 nan 0.000 0.432 62 D N 3.943 124.390 120.400 0.078 0.000 2.751 62 D HA -0.191 4.449 4.640 -0.000 0.000 0.233 62 D C 1.309 177.637 176.300 0.046 0.000 1.149 62 D CA 1.792 55.826 54.000 0.056 0.000 0.682 62 D CB -1.185 39.648 40.800 0.055 0.000 1.068 62 D HN 1.432 nan 8.370 nan 0.000 0.429 63 G N -1.899 106.928 108.800 0.045 0.000 2.184 63 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.264 63 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.264 63 G C 0.509 175.423 174.900 0.024 0.000 0.975 63 G CA 0.783 45.900 45.100 0.029 0.000 0.642 63 G HN 1.197 nan 8.290 nan 0.000 0.536 64 A N -0.469 122.377 122.820 0.042 0.000 2.264 64 A HA 0.974 5.294 4.320 -0.000 0.000 0.304 64 A C 0.604 178.203 177.584 0.024 0.000 1.100 64 A CA 0.857 52.914 52.037 0.033 0.000 0.839 64 A CB 1.297 20.336 19.000 0.065 0.000 1.121 64 A HN 2.038 nan 8.150 nan 0.000 0.496 65 S N -0.047 115.609 115.700 -0.073 0.000 2.776 65 S HA 0.459 4.929 4.470 -0.000 0.000 0.292 65 S C -0.711 173.483 174.600 -0.676 0.000 1.187 65 S CA -0.812 57.259 58.200 -0.216 0.000 0.834 65 S CB 0.837 63.927 63.200 -0.184 0.000 1.199 65 S HN 0.728 nan 8.310 nan 0.000 0.514 66 N N 1.941 120.057 118.700 -0.973 0.000 2.400 66 N HA 0.179 4.919 4.740 -0.000 0.000 0.267 66 N C -1.096 173.994 175.510 -0.699 0.000 1.208 66 N CA 0.275 52.495 53.050 -1.383 0.000 0.951 66 N CB -0.407 37.454 38.487 -1.042 0.000 1.227 66 N HN 0.501 nan 8.380 nan 0.000 0.488 67 Q N 4.023 123.505 119.800 -0.530 0.000 2.695 67 Q HA 0.316 4.656 4.340 -0.000 0.000 0.246 67 Q C -2.542 173.365 176.000 -0.155 0.000 0.961 67 Q CA -1.585 54.056 55.803 -0.271 0.000 0.708 67 Q CB 1.849 30.472 28.738 -0.190 0.000 1.282 67 Q HN 0.485 nan 8.270 nan 0.000 0.482 68 P HA -0.036 nan 4.420 nan 0.000 0.266 68 P C 0.905 178.191 177.300 -0.024 0.000 1.195 68 P CA 0.402 63.477 63.100 -0.041 0.000 0.768 68 P CB 0.712 32.392 31.700 -0.033 0.000 0.838 69 T N -1.069 113.489 114.554 0.006 0.000 3.060 69 T HA 0.258 4.608 4.350 -0.000 0.000 0.249 69 T C 1.410 176.114 174.700 0.007 0.000 1.079 69 T CA 0.594 62.697 62.100 0.006 0.000 1.013 69 T CB -0.728 68.153 68.868 0.021 0.000 0.975 69 T HN 0.608 nan 8.240 nan 0.000 0.518 70 G N 1.353 110.159 108.800 0.009 0.000 2.205 70 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.261 70 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.261 70 G C -0.161 174.746 174.900 0.010 0.000 0.980 70 G CA 0.174 45.279 45.100 0.008 0.000 0.632 70 G HN 0.756 nan 8.290 nan 0.000 0.533 71 D N 0.943 121.353 120.400 0.015 0.000 2.359 71 D HA 0.516 5.156 4.640 -0.000 0.000 0.230 71 D C -0.517 175.791 176.300 0.014 0.000 1.118 71 D CA -2.266 51.743 54.000 0.014 0.000 0.844 71 D CB 1.454 42.264 40.800 0.017 0.000 1.059 71 D HN 0.104 nan 8.370 nan 0.000 0.493 72 P HA -0.052 nan 4.420 nan 0.000 0.225 72 P C 0.749 178.048 177.300 -0.001 0.000 1.148 72 P CA 0.546 63.647 63.100 0.002 0.000 0.779 72 P CB 0.317 32.015 31.700 -0.004 0.000 0.780 73 S N -1.040 114.662 115.700 0.004 0.000 2.562 73 S HA 0.177 4.647 4.470 -0.000 0.000 0.221 73 S C 1.373 175.977 174.600 0.008 0.000 0.975 73 S CA 0.428 58.630 58.200 0.004 0.000 0.918 73 S CB -0.320 62.885 63.200 0.007 0.000 0.772 73 S HN 0.277 nan 8.310 nan 0.000 0.531 74 G N 2.133 110.944 108.800 0.019 0.000 2.641 74 G HA2 0.335 4.295 3.960 -0.000 0.000 0.239 74 G HA3 0.335 4.295 3.960 -0.000 0.000 0.239 74 G C -1.744 173.183 174.900 0.045 0.000 1.402 74 G CA -0.872 44.250 45.100 0.037 0.000 1.046 74 G HN 0.065 nan 8.290 nan 0.000 0.565 75 P HA -0.033 nan 4.420 nan 0.000 0.222 75 P C 0.456 177.847 177.300 0.153 0.000 1.147 75 P CA 0.992 64.195 63.100 0.173 0.000 0.790 75 P CB 0.209 32.098 31.700 0.316 0.000 0.780 76 D N 0.291 120.757 120.400 0.110 0.000 2.178 76 D HA -0.078 4.562 4.640 -0.000 0.000 0.202 76 D C 2.325 178.658 176.300 0.055 0.000 0.974 76 D CA 1.469 55.531 54.000 0.103 0.000 0.841 76 D CB -1.106 39.736 40.800 0.070 0.000 0.953 76 D HN 0.204 nan 8.370 nan 0.000 0.478 77 G N 0.461 109.270 108.800 0.016 0.000 2.448 77 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 77 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 77 G C 1.635 176.501 174.900 -0.056 0.000 1.127 77 G CA 0.753 45.835 45.100 -0.030 0.000 0.766 77 G HN 0.251 nan 8.290 nan 0.000 0.552 78 E N 0.137 120.309 120.200 -0.046 0.000 2.060 78 E HA -0.021 4.329 4.350 -0.000 0.000 0.189 78 E C 2.622 179.224 176.600 0.003 0.000 0.974 78 E CA 0.757 57.099 56.400 -0.097 0.000 0.808 78 E CB -0.348 29.210 29.700 -0.236 0.000 0.768 78 E HN 0.129 nan 8.360 nan 0.000 0.453 79 V N 1.245 121.234 119.914 0.126 0.000 2.287 79 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 79 V C 2.159 178.304 176.094 0.085 0.000 1.053 79 V CA 2.396 64.809 62.300 0.188 0.000 1.027 79 V CB -0.571 31.467 31.823 0.358 0.000 0.646 79 V HN 0.313 nan 8.190 nan 0.000 0.447 80 E N -0.308 119.917 120.200 0.041 0.000 2.152 80 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 80 E C 2.105 178.594 176.600 -0.185 0.000 0.983 80 E CA 0.985 57.348 56.400 -0.061 0.000 0.818 80 E CB -0.181 29.491 29.700 -0.046 0.000 0.758 80 E HN 0.447 nan 8.360 nan 0.000 0.467 81 L N 1.725 122.848 121.223 -0.167 0.000 2.042 81 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 81 L C 1.434 178.165 176.870 -0.232 0.000 1.076 81 L CA 1.933 56.632 54.840 -0.235 0.000 0.749 81 L CB -0.258 41.680 42.059 -0.202 0.000 0.893 81 L HN -0.035 nan 8.230 nan 0.000 0.432 82 D N -0.289 120.023 120.400 -0.147 0.000 2.097 82 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 82 D C 2.318 178.546 176.300 -0.121 0.000 0.984 82 D CA 1.973 55.911 54.000 -0.104 0.000 0.826 82 D CB -0.167 40.624 40.800 -0.016 0.000 0.973 82 D HN 0.455 nan 8.370 nan 0.000 0.460 83 I N 1.006 121.485 120.570 -0.152 0.000 2.202 83 I HA -0.194 3.976 4.170 -0.000 0.000 0.242 83 I C 2.254 178.227 176.117 -0.241 0.000 1.091 83 I CA 1.051 62.206 61.300 -0.241 0.000 1.368 83 I CB -0.185 37.658 38.000 -0.263 0.000 1.058 83 I HN -0.063 nan 8.210 nan 0.000 0.410 84 E N 0.319 120.325 120.200 -0.322 0.000 2.072 84 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 84 E C 2.336 178.792 176.600 -0.240 0.000 0.985 84 E CA 1.270 57.372 56.400 -0.496 0.000 0.801 84 E CB -0.019 28.982 29.700 -1.165 0.000 0.750 84 E HN 0.277 nan 8.360 nan 0.000 0.452 85 V N 1.246 121.012 119.914 -0.247 0.000 2.270 85 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 85 V C 2.289 178.371 176.094 -0.020 0.000 1.043 85 V CA 1.917 64.117 62.300 -0.167 0.000 1.014 85 V CB -0.658 30.958 31.823 -0.344 0.000 0.645 85 V HN 0.316 nan 8.190 nan 0.000 0.447 86 A N 0.423 123.236 122.820 -0.012 0.000 1.898 86 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 86 A C 2.373 180.051 177.584 0.156 0.000 1.181 86 A CA 1.742 53.867 52.037 0.146 0.000 0.620 86 A CB -1.142 18.032 19.000 0.289 0.000 0.819 86 A HN 0.531 nan 8.150 nan 0.000 0.442 87 G N -0.608 108.089 108.800 -0.172 0.000 2.422 87 G HA2 0.074 4.034 3.960 -0.000 0.000 0.218 87 G HA3 0.074 4.034 3.960 -0.000 0.000 0.218 87 G C 1.618 176.596 174.900 0.131 0.000 1.140 87 G CA 1.174 46.103 45.100 -0.285 0.000 0.775 87 G HN 0.751 nan 8.290 nan 0.000 0.545 88 A N -0.079 122.945 122.820 0.340 0.000 2.015 88 A HA 0.206 4.526 4.320 -0.000 0.000 0.219 88 A C 2.102 179.805 177.584 0.198 0.000 1.163 88 A CA 1.032 53.278 52.037 0.349 0.000 0.646 88 A CB -0.123 19.093 19.000 0.361 0.000 0.806 88 A HN 0.307 nan 8.150 nan 0.000 0.448 89 L N -2.198 119.144 121.223 0.199 0.000 2.556 89 L HA 0.377 4.717 4.340 -0.000 0.000 0.226 89 L C 1.359 178.378 176.870 0.248 0.000 1.089 89 L CA 1.006 55.973 54.840 0.211 0.000 0.864 89 L CB 0.002 42.209 42.059 0.246 0.000 1.067 89 L HN 0.314 nan 8.230 nan 0.000 0.477 90 A N -0.139 122.843 122.820 0.270 0.000 3.214 90 A HA 0.504 4.824 4.320 -0.000 0.000 0.304 90 A C -1.797 175.946 177.584 0.265 0.000 0.969 90 A CA -0.599 51.584 52.037 0.244 0.000 0.986 90 A CB -0.065 19.070 19.000 0.226 0.000 1.073 90 A HN 0.026 nan 8.150 nan 0.000 0.487 91 P HA -0.028 nan 4.420 nan 0.000 0.237 91 P C 1.296 178.644 177.300 0.080 0.000 1.178 91 P CA 1.389 64.540 63.100 0.084 0.000 0.766 91 P CB 0.143 31.824 31.700 -0.032 0.000 0.876 92 G N -0.309 108.535 108.800 0.073 0.000 2.880 92 G HA2 0.239 4.199 3.960 -0.000 0.000 0.209 92 G HA3 0.239 4.199 3.960 -0.000 0.000 0.209 92 G C 0.717 175.626 174.900 0.015 0.000 1.157 92 G CA 0.251 45.371 45.100 0.034 0.000 0.779 92 G HN 0.432 nan 8.290 nan 0.000 0.539 93 A N 0.154 122.979 122.820 0.007 0.000 2.332 93 A HA 0.554 4.874 4.320 -0.000 0.000 0.258 93 A C 0.448 177.904 177.584 -0.213 0.000 1.087 93 A CA -0.428 51.505 52.037 -0.174 0.000 0.802 93 A CB 0.488 19.255 19.000 -0.388 0.000 1.042 93 A HN 0.265 nan 8.150 nan 0.000 0.489 94 K N 0.899 121.152 120.400 -0.246 0.000 2.205 94 K HA 0.451 4.771 4.320 -0.000 0.000 0.279 94 K C -1.715 174.662 176.600 -0.373 0.000 1.027 94 K CA -0.151 56.047 56.287 -0.150 0.000 0.932 94 K CB 0.300 32.762 32.500 -0.063 0.000 1.032 94 K HN 0.426 nan 8.250 nan 0.000 0.466 95 F N 2.259 122.207 119.950 -0.003 0.000 2.427 95 F HA 0.412 4.939 4.527 -0.000 0.000 0.346 95 F C 0.230 176.031 175.800 0.002 0.000 1.120 95 F CA -0.724 57.280 58.000 0.006 0.000 1.033 95 F CB 1.957 40.947 39.000 -0.017 0.000 1.126 95 F HN 0.552 nan 8.300 nan 0.000 0.462 96 A N 3.779 126.670 122.820 0.118 0.000 2.256 96 A HA 0.699 5.019 4.320 -0.000 0.000 0.317 96 A C -1.039 176.515 177.584 -0.050 0.000 1.318 96 A CA -0.598 51.438 52.037 -0.003 0.000 0.894 96 A CB 0.338 19.365 19.000 0.045 0.000 1.165 96 A HN 0.532 nan 8.150 nan 0.000 0.525 97 V N 3.962 123.802 119.914 -0.124 0.000 2.328 97 V HA 0.251 4.371 4.120 -0.000 0.000 0.278 97 V C -1.120 174.791 176.094 -0.306 0.000 1.021 97 V CA -0.368 61.867 62.300 -0.108 0.000 0.838 97 V CB 0.121 31.963 31.823 0.032 0.000 0.999 97 V HN 0.710 nan 8.190 nan 0.000 0.447 98 Y N 4.709 124.923 120.300 -0.143 0.000 2.367 98 Y HA 0.563 5.113 4.550 -0.000 0.000 0.342 98 Y C -0.138 175.627 175.900 -0.225 0.000 0.979 98 Y CA -0.839 57.222 58.100 -0.066 0.000 1.161 98 Y CB 0.699 39.163 38.460 0.007 0.000 1.155 98 Y HN 0.499 nan 8.280 nan 0.000 0.503 99 F N 2.561 122.589 119.950 0.131 0.000 2.415 99 F HA 0.716 5.243 4.527 -0.000 0.000 0.348 99 F C 0.339 176.159 175.800 0.034 0.000 1.119 99 F CA -0.577 57.453 58.000 0.050 0.000 1.069 99 F CB 1.147 40.158 39.000 0.018 0.000 1.124 99 F HN 0.531 nan 8.300 nan 0.000 0.472 100 A N 4.513 127.408 122.820 0.124 0.000 2.515 100 A HA 0.858 5.178 4.320 -0.000 0.000 0.296 100 A C -2.945 174.635 177.584 -0.008 0.000 1.094 100 A CA -2.130 49.944 52.037 0.063 0.000 0.718 100 A CB 1.462 20.492 19.000 0.050 0.000 1.307 100 A HN 0.410 nan 8.150 nan 0.000 0.408 101 P HA 0.062 nan 4.420 nan 0.000 0.268 101 P C -0.478 176.779 177.300 -0.071 0.000 1.205 101 P CA -0.069 63.017 63.100 -0.023 0.000 0.771 101 P CB 0.369 32.072 31.700 0.005 0.000 0.858 102 N N 2.334 120.972 118.700 -0.104 0.000 2.971 102 N HA 0.057 4.797 4.740 -0.000 0.000 0.294 102 N C -0.748 174.731 175.510 -0.050 0.000 1.210 102 N CA 0.187 53.151 53.050 -0.143 0.000 1.157 102 N CB -0.781 37.619 38.487 -0.145 0.000 1.450 102 N HN 0.393 nan 8.380 nan 0.000 0.527 103 T N -2.392 112.162 114.554 -0.000 0.000 2.896 103 T HA 0.308 4.658 4.350 -0.000 0.000 0.297 103 T C 0.721 175.498 174.700 0.129 0.000 1.108 103 T CA -0.795 61.330 62.100 0.043 0.000 1.004 103 T CB 1.355 70.246 68.868 0.038 0.000 1.159 103 T HN -0.116 nan 8.240 nan 0.000 0.499 104 D N 0.958 121.436 120.400 0.130 0.000 2.149 104 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 104 D C 2.280 178.703 176.300 0.205 0.000 1.001 104 D CA 1.982 56.116 54.000 0.223 0.000 0.849 104 D CB -0.607 40.303 40.800 0.183 0.000 0.939 104 D HN 0.762 nan 8.370 nan 0.000 0.449 105 A N 0.756 123.654 122.820 0.130 0.000 1.858 105 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 105 A C 2.443 180.098 177.584 0.117 0.000 1.190 105 A CA 2.204 54.302 52.037 0.102 0.000 0.617 105 A CB -1.139 17.902 19.000 0.068 0.000 0.827 105 A HN 0.311 nan 8.150 nan 0.000 0.443 106 G N -1.388 107.480 108.800 0.114 0.000 2.422 106 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 106 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 106 G C 1.451 176.462 174.900 0.184 0.000 1.146 106 G CA 1.152 46.316 45.100 0.106 0.000 0.769 106 G HN 0.374 nan 8.290 nan 0.000 0.547 107 F N 1.153 121.132 119.950 0.048 0.000 2.113 107 F HA 0.040 4.567 4.527 -0.000 0.000 0.297 107 F C 2.366 178.215 175.800 0.082 0.000 1.103 107 F CA 0.870 58.918 58.000 0.081 0.000 1.248 107 F CB -0.851 38.265 39.000 0.194 0.000 0.999 107 F HN 0.133 nan 8.300 nan 0.000 0.475 108 L N 0.638 121.988 121.223 0.211 0.000 2.046 108 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 108 L C 1.930 178.822 176.870 0.036 0.000 1.077 108 L CA 2.173 57.031 54.840 0.029 0.000 0.747 108 L CB -1.061 41.005 42.059 0.012 0.000 0.896 108 L HN -0.027 nan 8.230 nan 0.000 0.432 109 D N -0.214 120.232 120.400 0.077 0.000 2.178 109 D HA -0.080 4.560 4.640 -0.000 0.000 0.202 109 D C 2.212 178.546 176.300 0.057 0.000 0.974 109 D CA 1.316 55.350 54.000 0.058 0.000 0.841 109 D CB -0.157 40.683 40.800 0.067 0.000 0.953 109 D HN 0.515 nan 8.370 nan 0.000 0.478 110 A N 0.570 123.446 122.820 0.093 0.000 1.898 110 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 110 A C 2.324 179.880 177.584 -0.046 0.000 1.181 110 A CA 0.776 52.855 52.037 0.071 0.000 0.620 110 A CB -0.639 18.437 19.000 0.126 0.000 0.819 110 A HN 0.160 nan 8.150 nan 0.000 0.442 111 I N 0.332 120.914 120.570 0.019 0.000 2.142 111 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 111 I C 2.909 178.967 176.117 -0.098 0.000 1.078 111 I CA 1.943 63.221 61.300 -0.037 0.000 1.343 111 I CB -0.570 37.433 38.000 0.005 0.000 1.046 111 I HN 0.533 nan 8.210 nan 0.000 0.405 112 T N -2.543 111.979 114.554 -0.053 0.000 2.788 112 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 112 T C 1.838 176.571 174.700 0.056 0.000 1.044 112 T CA 1.882 63.994 62.100 0.021 0.000 1.139 112 T CB -0.964 67.937 68.868 0.055 0.000 0.867 112 T HN 0.227 nan 8.240 nan 0.000 0.454 113 T N 2.078 116.624 114.554 -0.012 0.000 2.720 113 T HA 0.038 4.388 4.350 -0.000 0.000 0.268 113 T C 2.456 177.074 174.700 -0.137 0.000 1.037 113 T CA 1.389 63.485 62.100 -0.008 0.000 1.144 113 T CB -0.827 68.067 68.868 0.043 0.000 0.864 113 T HN 0.622 nan 8.240 nan 0.000 0.444 114 A N 1.093 123.637 122.820 -0.461 0.000 1.858 114 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 114 A C 2.290 179.735 177.584 -0.231 0.000 1.190 114 A CA 1.281 52.937 52.037 -0.635 0.000 0.617 114 A CB -0.846 17.608 19.000 -0.909 0.000 0.827 114 A HN 0.508 nan 8.150 nan 0.000 0.443 115 I N -1.125 119.312 120.570 -0.220 0.000 2.208 115 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 115 I C 1.913 177.856 176.117 -0.289 0.000 1.097 115 I CA 1.666 62.810 61.300 -0.261 0.000 1.363 115 I CB -0.347 37.434 38.000 -0.364 0.000 1.051 115 I HN 0.452 nan 8.210 nan 0.000 0.413 116 H N -0.973 118.068 119.070 -0.048 0.000 2.526 116 H HA 0.065 4.621 4.556 -0.000 0.000 0.274 116 H C 0.291 175.622 175.328 0.005 0.000 0.999 116 H CA -0.317 55.718 56.048 -0.022 0.000 1.157 116 H CB -0.051 29.697 29.762 -0.024 0.000 1.407 116 H HN 0.092 nan 8.280 nan 0.000 0.568 117 D N 2.499 122.961 120.400 0.103 0.000 2.389 117 D HA -0.050 4.590 4.640 -0.000 0.000 0.263 117 D C -1.332 175.029 176.300 0.102 0.000 1.255 117 D CA -1.354 52.724 54.000 0.130 0.000 0.914 117 D CB 1.179 42.096 40.800 0.195 0.000 1.116 117 D HN 0.251 nan 8.370 nan 0.000 0.502 118 P HA -0.056 nan 4.420 nan 0.000 0.225 118 P C 0.973 178.307 177.300 0.056 0.000 1.156 118 P CA 0.538 63.678 63.100 0.066 0.000 0.787 118 P CB 0.557 32.291 31.700 0.057 0.000 0.802 119 T N 0.247 114.841 114.554 0.067 0.000 2.953 119 T HA 0.136 4.486 4.350 -0.000 0.000 0.247 119 T C 1.870 176.603 174.700 0.055 0.000 1.029 119 T CA 0.761 62.894 62.100 0.056 0.000 1.144 119 T CB -0.423 68.480 68.868 0.057 0.000 0.870 119 T HN 0.038 nan 8.240 nan 0.000 0.446 120 L N 0.194 121.463 121.223 0.078 0.000 2.416 120 L HA 0.271 4.611 4.340 -0.000 0.000 0.216 120 L C 0.380 177.285 176.870 0.059 0.000 1.098 120 L CA 0.111 54.993 54.840 0.070 0.000 0.840 120 L CB -0.406 41.716 42.059 0.104 0.000 0.981 120 L HN 0.167 nan 8.230 nan 0.000 0.462 121 K N 0.393 120.831 120.400 0.064 0.000 3.730 121 K HA -0.155 4.165 4.320 -0.000 0.000 0.276 121 K C -2.262 174.349 176.600 0.019 0.000 0.904 121 K CA -0.273 56.036 56.287 0.036 0.000 0.741 121 K CB -1.422 31.092 32.500 0.022 0.000 1.542 121 K HN 0.243 nan 8.250 nan 0.000 0.446 122 P HA -0.011 nan 4.420 nan 0.000 0.271 122 P C 0.385 177.676 177.300 -0.016 0.000 1.216 122 P CA -0.058 63.047 63.100 0.009 0.000 0.776 122 P CB 1.389 33.115 31.700 0.044 0.000 0.881 123 S N 0.780 116.464 115.700 -0.026 0.000 2.548 123 S HA 0.213 4.683 4.470 -0.000 0.000 0.215 123 S C 0.584 175.172 174.600 -0.021 0.000 0.976 123 S CA -0.099 58.085 58.200 -0.027 0.000 0.908 123 S CB -0.086 63.096 63.200 -0.030 0.000 0.781 123 S HN 0.298 nan 8.310 nan 0.000 0.519 124 V N 1.193 121.098 119.914 -0.015 0.000 2.888 124 V HA 0.558 4.678 4.120 -0.000 0.000 0.309 124 V C -1.031 175.075 176.094 0.020 0.000 1.114 124 V CA -0.792 61.509 62.300 0.002 0.000 0.940 124 V CB 2.125 33.952 31.823 0.006 0.000 1.021 124 V HN 0.131 nan 8.190 nan 0.000 0.426 125 V N 2.324 122.256 119.914 0.031 0.000 2.531 125 V HA 0.575 4.695 4.120 -0.000 0.000 0.301 125 V C -0.119 176.019 176.094 0.074 0.000 1.034 125 V CA -0.362 61.970 62.300 0.053 0.000 0.865 125 V CB 2.046 33.891 31.823 0.037 0.000 0.995 125 V HN 0.867 nan 8.190 nan 0.000 0.424 126 S N 5.620 121.385 115.700 0.109 0.000 2.433 126 S HA 0.770 5.240 4.470 -0.000 0.000 0.310 126 S C -0.759 173.934 174.600 0.154 0.000 1.097 126 S CA -0.416 57.855 58.200 0.119 0.000 1.103 126 S CB 0.334 63.611 63.200 0.128 0.000 0.992 126 S HN 0.543 nan 8.310 nan 0.000 0.469 127 I N 3.751 124.415 120.570 0.157 0.000 2.465 127 I HA 0.352 4.522 4.170 -0.000 0.000 0.291 127 I C 0.195 176.435 176.117 0.205 0.000 1.014 127 I CA -0.400 61.050 61.300 0.251 0.000 1.093 127 I CB 2.379 40.566 38.000 0.311 0.000 1.267 127 I HN 0.530 nan 8.210 nan 0.000 0.431 128 S N 3.966 119.799 115.700 0.222 0.000 2.843 128 S HA 0.258 4.728 4.470 -0.000 0.000 0.249 128 S C -0.915 173.613 174.600 -0.121 0.000 1.047 128 S CA -0.502 57.710 58.200 0.020 0.000 1.042 128 S CB 0.024 63.156 63.200 -0.114 0.000 0.936 128 S HN 0.465 nan 8.310 nan 0.000 0.531 129 W N 0.643 121.997 121.300 0.090 0.000 2.706 129 W HA 0.778 5.438 4.660 -0.000 0.000 0.346 129 W C 0.532 177.222 176.519 0.285 0.000 1.071 129 W CA -0.371 57.009 57.345 0.059 0.000 1.206 129 W CB 1.273 30.582 29.460 -0.250 0.000 1.413 129 W HN 0.186 nan 8.180 nan 0.000 0.542 130 G N -0.374 108.756 108.800 0.550 0.000 2.427 130 G HA2 0.608 4.568 3.960 -0.000 0.000 0.306 130 G HA3 0.608 4.568 3.960 -0.000 0.000 0.306 130 G C -1.246 173.998 174.900 0.574 0.000 1.280 130 G CA -0.073 45.455 45.100 0.712 0.000 0.837 130 G HN 0.961 nan 8.290 nan 0.000 0.482 131 G N -0.848 108.368 108.800 0.693 0.000 2.632 131 G HA2 0.696 4.656 3.960 -0.000 0.000 0.292 131 G HA3 0.696 4.656 3.960 -0.000 0.000 0.292 131 G C -3.398 171.859 174.900 0.595 0.000 1.465 131 G CA -0.823 44.549 45.100 0.454 0.000 0.824 131 G HN 0.512 nan 8.290 nan 0.000 0.509 132 P HA 0.066 nan 4.420 nan 0.000 0.265 132 P C 0.967 178.573 177.300 0.510 0.000 1.187 132 P CA 0.194 63.504 63.100 0.351 0.000 0.766 132 P CB 0.941 32.721 31.700 0.135 0.000 0.820 133 E N 1.811 122.293 120.200 0.470 0.000 2.086 133 E HA -0.241 4.109 4.350 -0.000 0.000 0.205 133 E C 0.850 177.666 176.600 0.360 0.000 1.027 133 E CA 1.789 58.436 56.400 0.412 0.000 0.830 133 E CB -0.228 29.645 29.700 0.289 0.000 0.751 133 E HN 0.638 nan 8.360 nan 0.000 0.456 134 D N 0.028 120.605 120.400 0.294 0.000 2.336 134 D HA -0.052 4.588 4.640 -0.000 0.000 0.229 134 D C 1.481 177.885 176.300 0.173 0.000 1.061 134 D CA 0.533 54.657 54.000 0.206 0.000 0.875 134 D CB 0.102 41.012 40.800 0.184 0.000 0.904 134 D HN 0.094 nan 8.370 nan 0.000 0.525 135 S N -0.955 114.865 115.700 0.201 0.000 2.558 135 S HA -0.014 4.456 4.470 -0.000 0.000 0.217 135 S C 0.253 174.844 174.600 -0.015 0.000 0.975 135 S CA -0.682 57.546 58.200 0.046 0.000 0.912 135 S CB -0.333 62.851 63.200 -0.028 0.000 0.776 135 S HN 0.165 nan 8.310 nan 0.000 0.526 136 W N 3.244 124.571 121.300 0.045 0.000 2.438 136 W HA 0.509 5.169 4.660 -0.000 0.000 0.324 136 W C 0.747 177.252 176.519 -0.023 0.000 1.119 136 W CA -0.630 56.725 57.345 0.017 0.000 1.221 136 W CB 0.689 30.127 29.460 -0.038 0.000 1.253 136 W HN 0.065 nan 8.180 nan 0.000 0.555 137 T N -1.235 113.446 114.554 0.211 0.000 2.900 137 T HA 0.077 4.427 4.350 -0.000 0.000 0.307 137 T C 1.297 176.046 174.700 0.081 0.000 1.065 137 T CA 0.011 62.178 62.100 0.113 0.000 1.105 137 T CB 1.186 70.101 68.868 0.078 0.000 0.979 137 T HN 0.518 nan 8.240 nan 0.000 0.544 138 S N 1.592 117.305 115.700 0.022 0.000 2.419 138 S HA -0.077 4.393 4.470 -0.000 0.000 0.233 138 S C 2.271 176.851 174.600 -0.032 0.000 1.016 138 S CA 0.517 58.697 58.200 -0.033 0.000 0.974 138 S CB -0.939 62.239 63.200 -0.037 0.000 0.786 138 S HN 1.025 nan 8.310 nan 0.000 0.492 139 A N 1.696 124.518 122.820 0.002 0.000 1.970 139 A HA 0.528 4.848 4.320 -0.000 0.000 0.216 139 A C 2.461 180.054 177.584 0.015 0.000 1.170 139 A CA 1.171 53.210 52.037 0.003 0.000 0.645 139 A CB -1.211 17.797 19.000 0.014 0.000 0.816 139 A HN 0.768 nan 8.150 nan 0.000 0.447 140 A N 0.159 123.018 122.820 0.064 0.000 1.930 140 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 140 A C 2.028 179.617 177.584 0.007 0.000 1.175 140 A CA 1.380 53.490 52.037 0.122 0.000 0.627 140 A CB -0.478 18.711 19.000 0.314 0.000 0.815 140 A HN 0.436 nan 8.150 nan 0.000 0.443 141 I N -0.288 120.218 120.570 -0.107 0.000 2.286 141 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 141 I C 2.904 178.903 176.117 -0.197 0.000 1.115 141 I CA 1.386 62.430 61.300 -0.427 0.000 1.392 141 I CB -0.906 36.787 38.000 -0.511 0.000 1.065 141 I HN 0.396 nan 8.210 nan 0.000 0.418 142 A N 0.896 123.661 122.820 -0.093 0.000 1.897 142 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 142 A C 2.599 180.163 177.584 -0.033 0.000 1.181 142 A CA 1.553 53.574 52.037 -0.028 0.000 0.620 142 A CB -0.639 18.346 19.000 -0.025 0.000 0.821 142 A HN 0.398 nan 8.150 nan 0.000 0.443 143 A N -0.518 122.272 122.820 -0.050 0.000 1.883 143 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 143 A C 2.247 179.737 177.584 -0.157 0.000 1.186 143 A CA 1.971 53.964 52.037 -0.074 0.000 0.624 143 A CB -0.524 18.449 19.000 -0.046 0.000 0.822 143 A HN 0.445 nan 8.150 nan 0.000 0.444 144 M N -0.390 119.107 119.600 -0.173 0.000 2.086 144 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 144 M C 2.116 178.100 176.300 -0.526 0.000 1.067 144 M CA 1.575 56.639 55.300 -0.394 0.000 1.116 144 M CB -1.416 31.072 32.600 -0.186 0.000 1.348 144 M HN 0.638 nan 8.290 nan 0.000 0.407 145 N N 0.061 118.740 118.700 -0.035 0.000 2.223 145 N HA -0.172 4.568 4.740 -0.000 0.000 0.185 145 N C 1.620 177.119 175.510 -0.019 0.000 1.016 145 N CA 1.035 54.190 53.050 0.175 0.000 0.863 145 N CB 0.167 38.896 38.487 0.403 0.000 0.983 145 N HN 0.146 nan 8.380 nan 0.000 0.429 146 R N 0.640 121.080 120.500 -0.099 0.000 2.148 146 R HA 0.100 4.440 4.340 -0.000 0.000 0.223 146 R C 2.045 178.219 176.300 -0.211 0.000 1.088 146 R CA 0.954 56.973 56.100 -0.135 0.000 0.985 146 R CB -0.620 29.627 30.300 -0.089 0.000 0.880 146 R HN 0.231 nan 8.270 nan 0.000 0.451 147 A N -0.214 122.419 122.820 -0.312 0.000 1.930 147 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 147 A C 1.593 179.008 177.584 -0.281 0.000 1.175 147 A CA 1.081 52.924 52.037 -0.324 0.000 0.627 147 A CB -0.515 18.222 19.000 -0.438 0.000 0.815 147 A HN 0.191 nan 8.150 nan 0.000 0.443 148 F N -0.228 119.617 119.950 -0.175 0.000 2.146 148 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 148 F C 2.147 177.685 175.800 -0.437 0.000 1.096 148 F CA 0.393 58.260 58.000 -0.222 0.000 1.275 148 F CB -0.893 38.037 39.000 -0.117 0.000 1.008 148 F HN 0.160 nan 8.300 nan 0.000 0.480 149 L N 0.453 121.382 121.223 -0.491 0.000 2.013 149 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 149 L C 1.794 178.398 176.870 -0.443 0.000 1.073 149 L CA 2.215 56.525 54.840 -0.883 0.000 0.753 149 L CB -0.896 40.715 42.059 -0.747 0.000 0.890 149 L HN 0.085 nan 8.230 nan 0.000 0.432 150 D N 0.260 120.499 120.400 -0.269 0.000 2.123 150 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 150 D C 2.253 178.446 176.300 -0.179 0.000 0.992 150 D CA 1.585 55.482 54.000 -0.172 0.000 0.833 150 D CB -0.049 40.689 40.800 -0.103 0.000 0.954 150 D HN 0.484 nan 8.370 nan 0.000 0.455 151 A N 1.068 123.782 122.820 -0.178 0.000 1.892 151 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 151 A C 2.340 179.849 177.584 -0.126 0.000 1.188 151 A CA 2.611 54.563 52.037 -0.142 0.000 0.631 151 A CB -0.864 18.102 19.000 -0.057 0.000 0.822 151 A HN 0.254 nan 8.150 nan 0.000 0.447 152 A N -0.274 122.436 122.820 -0.184 0.000 1.908 152 A HA 0.128 4.448 4.320 -0.000 0.000 0.218 152 A C 2.492 180.036 177.584 -0.067 0.000 1.181 152 A CA 2.235 54.184 52.037 -0.146 0.000 0.627 152 A CB -1.020 17.756 19.000 -0.374 0.000 0.818 152 A HN 1.163 nan 8.150 nan 0.000 0.445 153 A N -0.750 122.010 122.820 -0.100 0.000 2.015 153 A HA 0.110 4.430 4.320 -0.000 0.000 0.219 153 A C 1.945 179.506 177.584 -0.038 0.000 1.163 153 A CA 1.230 53.237 52.037 -0.051 0.000 0.646 153 A CB -0.461 18.505 19.000 -0.057 0.000 0.806 153 A HN 0.460 nan 8.150 nan 0.000 0.448 154 L N -1.209 119.976 121.223 -0.063 0.000 2.554 154 L HA 0.192 4.532 4.340 -0.000 0.000 0.226 154 L C 1.518 178.364 176.870 -0.039 0.000 1.137 154 L CA 0.581 55.388 54.840 -0.056 0.000 0.863 154 L CB -0.103 41.892 42.059 -0.105 0.000 0.985 154 L HN 0.545 nan 8.230 nan 0.000 0.451 155 G N 0.431 109.216 108.800 -0.025 0.000 2.171 155 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.238 155 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.238 155 G C -0.154 174.737 174.900 -0.016 0.000 1.039 155 G CA -0.043 45.052 45.100 -0.009 0.000 0.759 155 G HN 0.089 nan 8.290 nan 0.000 0.501 156 V N 1.122 121.021 119.914 -0.025 0.000 2.378 156 V HA 0.532 4.652 4.120 -0.000 0.000 0.288 156 V C 0.763 176.854 176.094 -0.004 0.000 1.016 156 V CA -0.319 61.965 62.300 -0.027 0.000 0.840 156 V CB 1.626 33.415 31.823 -0.055 0.000 0.994 156 V HN 0.345 nan 8.190 nan 0.000 0.431 157 T N 4.834 119.392 114.554 0.007 0.000 2.851 157 T HA 0.393 4.743 4.350 -0.000 0.000 0.298 157 T C -0.037 174.669 174.700 0.010 0.000 0.977 157 T CA -0.102 62.012 62.100 0.023 0.000 1.126 157 T CB 1.058 69.936 68.868 0.017 0.000 0.916 157 T HN 0.386 nan 8.240 nan 0.000 0.529 158 V N 5.259 125.169 119.914 -0.007 0.000 2.384 158 V HA 0.476 4.596 4.120 -0.000 0.000 0.287 158 V C -0.361 175.693 176.094 -0.067 0.000 1.020 158 V CA -0.841 61.426 62.300 -0.054 0.000 0.850 158 V CB 1.142 32.877 31.823 -0.147 0.000 0.987 158 V HN 0.639 nan 8.190 nan 0.000 0.436 159 L N 4.076 125.288 121.223 -0.020 0.000 2.346 159 L HA 0.975 5.315 4.340 -0.000 0.000 0.274 159 L C 0.072 176.943 176.870 0.001 0.000 1.007 159 L CA -0.300 54.548 54.840 0.013 0.000 0.818 159 L CB 2.021 44.133 42.059 0.089 0.000 1.284 159 L HN 0.787 nan 8.230 nan 0.000 0.424 160 A N 1.584 124.404 122.820 0.000 0.000 2.517 160 A HA 0.858 5.178 4.320 -0.000 0.000 0.297 160 A C -0.638 176.978 177.584 0.054 0.000 1.050 160 A CA -0.449 51.603 52.037 0.024 0.000 0.694 160 A CB 1.300 20.278 19.000 -0.036 0.000 1.277 160 A HN 0.826 nan 8.150 nan 0.000 0.400 161 A N 0.911 123.775 122.820 0.072 0.000 2.540 161 A HA 0.482 4.802 4.320 -0.000 0.000 0.239 161 A C 1.292 178.941 177.584 0.108 0.000 1.061 161 A CA 0.506 52.589 52.037 0.077 0.000 0.758 161 A CB 0.009 19.043 19.000 0.055 0.000 0.991 161 A HN 2.194 nan 8.150 nan 0.000 0.502 162 A N 2.047 124.939 122.820 0.121 0.000 2.208 162 A HA 0.504 4.824 4.320 -0.000 0.000 0.209 162 A C 1.298 178.978 177.584 0.160 0.000 1.161 162 A CA 1.187 53.306 52.037 0.137 0.000 0.782 162 A CB -0.804 18.274 19.000 0.131 0.000 0.816 162 A HN 2.786 nan 8.150 nan 0.000 0.477 163 G N -1.285 107.614 108.800 0.165 0.000 2.484 163 G HA2 0.163 4.123 3.960 -0.000 0.000 0.685 163 G HA3 0.163 4.123 3.960 -0.000 0.000 0.685 163 G C -0.962 174.045 174.900 0.179 0.000 1.294 163 G CA -0.116 45.082 45.100 0.164 0.000 0.879 163 G HN 0.013 nan 8.290 nan 0.000 0.646 164 D N -0.227 120.260 120.400 0.146 0.000 2.501 164 D HA 0.341 4.981 4.640 -0.000 0.000 0.224 164 D C 1.105 177.350 176.300 -0.091 0.000 1.202 164 D CA 0.495 54.573 54.000 0.131 0.000 0.829 164 D CB 0.879 41.869 40.800 0.316 0.000 1.023 164 D HN 0.288 nan 8.370 nan 0.000 0.499 165 S N 0.267 115.941 115.700 -0.044 0.000 2.751 165 S HA 0.516 4.986 4.470 -0.000 0.000 0.247 165 S C 0.830 175.406 174.600 -0.041 0.000 1.103 165 S CA -0.180 57.985 58.200 -0.058 0.000 1.090 165 S CB 1.033 64.236 63.200 0.005 0.000 0.928 165 S HN 0.440 nan 8.310 nan 0.000 0.502 166 G N 2.654 111.400 108.800 -0.090 0.000 2.641 166 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.254 166 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.254 166 G C 0.898 175.860 174.900 0.103 0.000 1.315 166 G CA 0.090 45.176 45.100 -0.023 0.000 0.907 166 G HN 0.960 nan 8.290 nan 0.000 0.572 167 S N -1.514 114.287 115.700 0.168 0.000 2.515 167 S HA 0.037 4.507 4.470 -0.000 0.000 0.231 167 S C 1.965 176.812 174.600 0.411 0.000 0.987 167 S CA 2.043 60.429 58.200 0.311 0.000 0.936 167 S CB -0.346 63.024 63.200 0.284 0.000 0.766 167 S HN 1.854 nan 8.310 nan 0.000 0.528 168 T N -2.167 112.557 114.554 0.283 0.000 3.040 168 T HA 0.207 4.557 4.350 -0.000 0.000 0.250 168 T C 0.372 175.205 174.700 0.221 0.000 1.058 168 T CA 0.324 62.581 62.100 0.262 0.000 0.988 168 T CB -0.457 68.479 68.868 0.112 0.000 0.993 168 T HN 0.298 nan 8.240 nan 0.000 0.519 169 D N 1.448 121.949 120.400 0.169 0.000 2.837 169 D HA -0.138 4.502 4.640 -0.000 0.000 0.230 169 D C 1.189 177.526 176.300 0.062 0.000 1.152 169 D CA 1.488 55.568 54.000 0.134 0.000 0.736 169 D CB -1.596 39.323 40.800 0.198 0.000 1.084 169 D HN 0.895 nan 8.370 nan 0.000 0.429 170 G N -0.609 108.211 108.800 0.032 0.000 2.143 170 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.249 170 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.249 170 G C -0.013 174.863 174.900 -0.040 0.000 0.981 170 G CA 0.380 45.481 45.100 0.001 0.000 0.665 170 G HN 0.532 nan 8.290 nan 0.000 0.528 171 E N 0.679 120.831 120.200 -0.080 0.000 2.158 171 E HA 0.399 4.749 4.350 -0.000 0.000 0.271 171 E C -0.165 176.401 176.600 -0.056 0.000 0.911 171 E CA -0.691 55.618 56.400 -0.151 0.000 0.767 171 E CB 0.898 30.302 29.700 -0.495 0.000 1.120 171 E HN 0.383 nan 8.360 nan 0.000 0.405 172 Q N 2.962 122.739 119.800 -0.037 0.000 2.636 172 Q HA 0.160 4.500 4.340 -0.000 0.000 0.233 172 Q C -0.711 175.287 176.000 -0.003 0.000 1.143 172 Q CA -0.389 55.403 55.803 -0.018 0.000 0.969 172 Q CB 0.272 28.997 28.738 -0.021 0.000 1.185 172 Q HN 0.527 nan 8.270 nan 0.000 0.546 173 D N 0.054 120.474 120.400 0.033 0.000 2.636 173 D HA 0.178 4.818 4.640 -0.000 0.000 0.270 173 D C 0.969 177.276 176.300 0.011 0.000 1.430 173 D CA -0.064 53.961 54.000 0.042 0.000 0.796 173 D CB 0.177 41.039 40.800 0.102 0.000 1.117 173 D HN 0.543 nan 8.370 nan 0.000 0.480 174 G N 0.373 109.145 108.800 -0.046 0.000 2.184 174 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.264 174 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.264 174 G C -0.120 174.674 174.900 -0.177 0.000 0.975 174 G CA 0.602 45.641 45.100 -0.101 0.000 0.642 174 G HN 0.431 nan 8.290 nan 0.000 0.536 175 L N -0.599 120.524 121.223 -0.165 0.000 2.354 175 L HA 0.662 5.002 4.340 -0.000 0.000 0.269 175 L C 0.168 176.768 176.870 -0.451 0.000 1.005 175 L CA -1.627 53.038 54.840 -0.292 0.000 0.819 175 L CB 1.358 43.253 42.059 -0.273 0.000 1.311 175 L HN 0.048 nan 8.230 nan 0.000 0.423 176 Y N 0.992 121.190 120.300 -0.170 0.000 2.304 176 Y HA 0.366 4.916 4.550 -0.000 0.000 0.327 176 Y C 0.259 176.039 175.900 -0.200 0.000 1.209 176 Y CA -0.019 58.050 58.100 -0.051 0.000 1.299 176 Y CB 0.587 39.064 38.460 0.029 0.000 1.249 176 Y HN 0.347 nan 8.280 nan 0.000 0.519 177 H N 0.766 120.014 119.070 0.298 0.000 2.954 177 H HA 0.488 5.044 4.556 -0.000 0.000 0.361 177 H C -1.041 174.434 175.328 0.244 0.000 1.122 177 H CA -0.929 55.258 56.048 0.232 0.000 1.217 177 H CB 1.761 31.628 29.762 0.175 0.000 1.776 177 H HN 0.524 nan 8.280 nan 0.000 0.533 178 V N -0.276 119.841 119.914 0.339 0.000 2.834 178 V HA 0.412 4.532 4.120 -0.000 0.000 0.313 178 V C 0.063 176.352 176.094 0.325 0.000 1.060 178 V CA -0.839 61.636 62.300 0.292 0.000 0.989 178 V CB 1.946 33.914 31.823 0.242 0.000 1.041 178 V HN 0.655 nan 8.190 nan 0.000 0.459 179 D N 0.682 121.262 120.400 0.301 0.000 2.225 179 D HA 0.488 5.128 4.640 -0.000 0.000 0.249 179 D C -1.202 175.322 176.300 0.373 0.000 1.052 179 D CA -0.166 54.045 54.000 0.353 0.000 0.909 179 D CB 1.329 42.305 40.800 0.293 0.000 1.186 179 D HN 0.599 nan 8.370 nan 0.000 0.431 180 F N 3.832 123.953 119.950 0.285 0.000 2.469 180 F HA 0.430 4.957 4.527 -0.000 0.000 0.332 180 F C -1.702 174.216 175.800 0.196 0.000 1.103 180 F CA -2.320 55.733 58.000 0.089 0.000 0.979 180 F CB 2.135 40.964 39.000 -0.285 0.000 1.137 180 F HN 0.278 nan 8.300 nan 0.000 0.463 181 P HA 0.064 nan 4.420 nan 0.000 0.249 181 P C 0.789 177.648 177.300 -0.734 0.000 1.229 181 P CA 0.718 63.017 63.100 -1.335 0.000 0.788 181 P CB 0.077 31.302 31.700 -0.792 0.000 1.072 182 A N 1.197 123.865 122.820 -0.253 0.000 1.978 182 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 182 A C 2.319 179.841 177.584 -0.103 0.000 1.170 182 A CA 1.885 53.844 52.037 -0.129 0.000 0.636 182 A CB -1.353 17.665 19.000 0.030 0.000 0.810 182 A HN 0.254 nan 8.150 nan 0.000 0.448 183 A N -0.491 122.319 122.820 -0.018 0.000 2.119 183 A HA 0.194 4.514 4.320 -0.000 0.000 0.217 183 A C 1.572 179.079 177.584 -0.129 0.000 1.153 183 A CA 0.906 53.010 52.037 0.111 0.000 0.692 183 A CB -0.701 18.540 19.000 0.402 0.000 0.799 183 A HN 0.609 nan 8.150 nan 0.000 0.458 184 S N 0.714 116.201 115.700 -0.357 0.000 2.552 184 S HA 0.149 4.619 4.470 -0.000 0.000 0.289 184 S C -0.913 173.416 174.600 -0.452 0.000 1.304 184 S CA -0.638 57.191 58.200 -0.618 0.000 1.063 184 S CB 0.717 63.713 63.200 -0.340 0.000 0.848 184 S HN 0.293 nan 8.310 nan 0.000 0.499 185 P HA -0.066 nan 4.420 nan 0.000 0.223 185 P C 0.305 177.540 177.300 -0.108 0.000 1.151 185 P CA 1.134 64.108 63.100 -0.210 0.000 0.787 185 P CB -0.123 31.364 31.700 -0.356 0.000 0.788 186 Y N -0.759 119.506 120.300 -0.059 0.000 2.490 186 Y HA 0.110 4.660 4.550 -0.000 0.000 0.281 186 Y C 1.278 177.045 175.900 -0.222 0.000 1.174 186 Y CA -0.152 57.796 58.100 -0.254 0.000 1.295 186 Y CB -0.264 38.023 38.460 -0.288 0.000 1.062 186 Y HN -0.269 nan 8.280 nan 0.000 0.522 187 V N 1.306 121.134 119.914 -0.144 0.000 2.547 187 V HA 0.221 4.341 4.120 -0.000 0.000 0.299 187 V C -0.229 175.826 176.094 -0.064 0.000 1.040 187 V CA -1.372 60.772 62.300 -0.259 0.000 0.913 187 V CB 2.470 33.965 31.823 -0.547 0.000 0.992 187 V HN 0.004 nan 8.190 nan 0.000 0.449 188 L N 4.334 125.536 121.223 -0.035 0.000 2.312 188 L HA 0.607 4.947 4.340 -0.000 0.000 0.287 188 L C 0.627 177.527 176.870 0.050 0.000 1.091 188 L CA -0.288 54.575 54.840 0.038 0.000 0.846 188 L CB 0.513 42.599 42.059 0.045 0.000 1.219 188 L HN 0.839 nan 8.230 nan 0.000 0.439 189 A N 4.762 127.630 122.820 0.080 0.000 2.409 189 A HA 0.348 4.668 4.320 -0.000 0.000 0.262 189 A C -0.356 177.308 177.584 0.134 0.000 1.113 189 A CA -0.337 51.752 52.037 0.087 0.000 0.790 189 A CB 0.134 19.195 19.000 0.102 0.000 1.046 189 A HN 0.806 nan 8.150 nan 0.000 0.496 190 C N 3.328 122.706 119.300 0.129 0.000 2.264 190 C HA 0.667 5.127 4.460 -0.000 0.000 0.322 190 C C 1.209 176.276 174.990 0.129 0.000 1.210 190 C CA -0.358 58.755 59.018 0.159 0.000 1.539 190 C CB 0.030 27.842 27.740 0.120 0.000 2.167 190 C HN 1.061 nan 8.230 nan 0.000 0.463 191 G N 1.984 110.867 108.800 0.138 0.000 2.537 191 G HA2 0.699 4.659 3.960 -0.000 0.000 0.297 191 G HA3 0.699 4.659 3.960 -0.000 0.000 0.297 191 G C -0.234 174.760 174.900 0.156 0.000 1.310 191 G CA -0.384 44.797 45.100 0.135 0.000 1.027 191 G HN 0.970 nan 8.290 nan 0.000 0.505 192 G N -1.003 107.927 108.800 0.216 0.000 2.513 192 G HA2 0.618 4.578 3.960 -0.000 0.000 0.317 192 G HA3 0.618 4.578 3.960 -0.000 0.000 0.317 192 G C -0.280 174.789 174.900 0.281 0.000 1.277 192 G CA 0.111 45.373 45.100 0.270 0.000 0.955 192 G HN 0.931 nan 8.290 nan 0.000 0.484 193 T N -1.231 113.446 114.554 0.204 0.000 2.926 193 T HA 0.679 5.029 4.350 -0.000 0.000 0.289 193 T C -0.338 174.447 174.700 0.141 0.000 1.054 193 T CA -0.980 61.238 62.100 0.196 0.000 1.015 193 T CB 2.272 71.245 68.868 0.174 0.000 1.167 193 T HN 0.571 nan 8.240 nan 0.000 0.526 194 R N 1.245 121.833 120.500 0.147 0.000 2.255 194 R HA 0.563 4.903 4.340 -0.000 0.000 0.326 194 R C -1.343 175.005 176.300 0.080 0.000 0.986 194 R CA -0.804 55.350 56.100 0.091 0.000 0.847 194 R CB 0.778 31.156 30.300 0.129 0.000 1.111 194 R HN 0.653 nan 8.270 nan 0.000 0.452 195 L N 5.001 126.250 121.223 0.043 0.000 2.309 195 L HA 0.437 4.777 4.340 -0.000 0.000 0.282 195 L C -1.347 175.547 176.870 0.040 0.000 1.036 195 L CA -0.411 54.438 54.840 0.016 0.000 0.806 195 L CB 2.001 43.988 42.059 -0.119 0.000 1.220 195 L HN 0.369 nan 8.230 nan 0.000 0.429 196 V N 5.288 125.218 119.914 0.027 0.000 2.376 196 V HA 0.781 4.901 4.120 -0.000 0.000 0.287 196 V C 0.049 176.147 176.094 0.006 0.000 1.015 196 V CA -0.323 62.021 62.300 0.074 0.000 0.834 196 V CB 0.966 32.828 31.823 0.066 0.000 1.001 196 V HN 0.985 nan 8.190 nan 0.000 0.428 197 A N 3.628 126.452 122.820 0.006 0.000 2.304 197 A HA 0.879 5.199 4.320 -0.000 0.000 0.323 197 A C -0.138 177.452 177.584 0.010 0.000 1.195 197 A CA -0.486 51.490 52.037 -0.101 0.000 0.826 197 A CB 1.635 20.422 19.000 -0.355 0.000 1.184 197 A HN 0.784 nan 8.150 nan 0.000 0.496 198 S N 1.464 117.154 115.700 -0.017 0.000 2.614 198 S HA 0.545 5.015 4.470 -0.000 0.000 0.288 198 S C 0.610 175.204 174.600 -0.009 0.000 1.137 198 S CA 0.515 58.717 58.200 0.004 0.000 0.992 198 S CB 0.811 64.016 63.200 0.009 0.000 1.026 198 S HN 2.582 nan 8.310 nan 0.000 0.486 199 G N 2.782 111.580 108.800 -0.004 0.000 2.258 199 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.274 199 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.274 199 G C 1.296 176.184 174.900 -0.020 0.000 1.021 199 G CA 0.881 45.975 45.100 -0.009 0.000 0.798 199 G HN 2.283 nan 8.290 nan 0.000 0.507 200 G N -1.920 106.858 108.800 -0.036 0.000 2.159 200 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.256 200 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.256 200 G C 0.290 175.154 174.900 -0.060 0.000 0.977 200 G CA 1.175 46.243 45.100 -0.053 0.000 0.652 200 G HN 1.856 nan 8.290 nan 0.000 0.531 201 R N -0.977 119.488 120.500 -0.058 0.000 2.855 201 R HA 0.795 5.135 4.340 -0.000 0.000 0.266 201 R C -0.175 176.081 176.300 -0.073 0.000 1.034 201 R CA -1.320 54.749 56.100 -0.052 0.000 0.944 201 R CB 1.084 31.369 30.300 -0.024 0.000 1.219 201 R HN 0.100 nan 8.270 nan 0.000 0.474 202 I N 1.925 122.444 120.570 -0.084 0.000 2.379 202 I HA 0.170 4.340 4.170 -0.000 0.000 0.290 202 I C 0.859 176.944 176.117 -0.054 0.000 1.063 202 I CA -0.205 61.028 61.300 -0.113 0.000 1.351 202 I CB 1.497 39.346 38.000 -0.252 0.000 1.410 202 I HN 0.947 nan 8.210 nan 0.000 0.505 203 A N 6.535 129.339 122.820 -0.027 0.000 1.943 203 A HA 0.067 4.387 4.320 -0.000 0.000 0.213 203 A C 0.699 178.302 177.584 0.032 0.000 1.181 203 A CA 0.774 52.817 52.037 0.009 0.000 0.653 203 A CB 0.195 19.203 19.000 0.014 0.000 0.833 203 A HN 0.804 nan 8.150 nan 0.000 0.451 204 Q N -1.297 118.523 119.800 0.033 0.000 2.472 204 Q HA 0.647 4.987 4.340 -0.000 0.000 0.281 204 Q C -1.568 174.479 176.000 0.079 0.000 0.997 204 Q CA -0.711 55.134 55.803 0.070 0.000 0.828 204 Q CB 1.490 30.268 28.738 0.068 0.000 1.443 204 Q HN 0.240 nan 8.270 nan 0.000 0.390 205 E N 1.312 121.597 120.200 0.140 0.000 2.313 205 E HA 0.399 4.749 4.350 -0.000 0.000 0.280 205 E C -1.523 175.172 176.600 0.158 0.000 0.898 205 E CA -0.191 56.302 56.400 0.155 0.000 0.803 205 E CB 1.881 31.695 29.700 0.190 0.000 1.286 205 E HN 0.790 nan 8.360 nan 0.000 0.401 206 T N -0.733 113.899 114.554 0.130 0.000 2.864 206 T HA 0.500 4.850 4.350 -0.000 0.000 0.289 206 T C -0.042 174.734 174.700 0.126 0.000 1.082 206 T CA -0.765 61.402 62.100 0.112 0.000 1.009 206 T CB 1.132 70.057 68.868 0.094 0.000 1.234 206 T HN 0.149 nan 8.240 nan 0.000 0.526 207 V N 1.435 121.412 119.914 0.105 0.000 2.694 207 V HA 0.081 4.201 4.120 -0.000 0.000 0.306 207 V C 0.178 176.396 176.094 0.206 0.000 1.054 207 V CA -0.308 62.067 62.300 0.125 0.000 1.161 207 V CB -0.096 31.769 31.823 0.070 0.000 0.916 207 V HN 0.848 nan 8.190 nan 0.000 0.490 208 W N 7.233 128.557 121.300 0.041 0.000 2.529 208 W HA 0.332 4.992 4.660 -0.000 0.000 0.319 208 W C 0.083 176.626 176.519 0.039 0.000 1.362 208 W CA -0.620 56.750 57.345 0.042 0.000 1.348 208 W CB -0.213 29.275 29.460 0.047 0.000 1.403 208 W HN 0.640 nan 8.180 nan 0.000 0.519 209 N N 5.237 123.941 118.700 0.006 0.000 2.699 209 N HA 0.069 4.809 4.740 -0.000 0.000 0.271 209 N C -1.169 174.299 175.510 -0.070 0.000 1.216 209 N CA -0.178 52.745 53.050 -0.212 0.000 0.844 209 N CB 0.860 39.288 38.487 -0.098 0.000 1.462 209 N HN 0.356 nan 8.380 nan 0.000 0.555 210 D N 2.048 122.374 120.400 -0.124 0.000 2.559 210 D HA 0.328 4.968 4.640 -0.000 0.000 0.234 210 D C 0.918 177.210 176.300 -0.012 0.000 1.226 210 D CA 0.421 54.442 54.000 0.035 0.000 0.830 210 D CB 0.212 41.120 40.800 0.179 0.000 1.028 210 D HN 0.891 nan 8.370 nan 0.000 0.492 211 G N 1.863 110.624 108.800 -0.066 0.000 2.796 211 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.571 211 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.571 211 G C -2.073 172.789 174.900 -0.062 0.000 1.370 211 G CA -0.804 44.267 45.100 -0.048 0.000 0.856 211 G HN -0.053 nan 8.290 nan 0.000 0.538 212 P HA 0.059 nan 4.420 nan 0.000 0.222 212 P C 0.995 178.282 177.300 -0.023 0.000 1.147 212 P CA 1.549 64.628 63.100 -0.035 0.000 0.790 212 P CB 0.165 31.853 31.700 -0.019 0.000 0.780 213 D N -1.646 118.748 120.400 -0.009 0.000 2.354 213 D HA 0.097 4.737 4.640 -0.000 0.000 0.209 213 D C 1.713 178.028 176.300 0.025 0.000 1.015 213 D CA 0.673 54.678 54.000 0.008 0.000 0.867 213 D CB -0.020 40.788 40.800 0.013 0.000 0.933 213 D HN 0.146 nan 8.370 nan 0.000 0.520 214 G N -0.872 107.943 108.800 0.025 0.000 3.342 214 G HA2 0.457 4.417 3.960 -0.000 0.000 0.252 214 G HA3 0.457 4.417 3.960 -0.000 0.000 0.252 214 G C 0.636 175.601 174.900 0.108 0.000 1.011 214 G CA 0.248 45.402 45.100 0.090 0.000 0.869 214 G HN 0.413 nan 8.290 nan 0.000 0.514 215 G N -1.043 107.714 108.800 -0.071 0.000 2.690 215 G HA2 0.474 4.434 3.960 -0.000 0.000 0.686 215 G HA3 0.474 4.434 3.960 -0.000 0.000 0.686 215 G C -0.433 173.898 174.900 -0.950 0.000 1.277 215 G CA -0.341 44.562 45.100 -0.330 0.000 0.799 215 G HN 1.639 nan 8.290 nan 0.000 0.613 216 A N -0.179 121.885 122.820 -1.260 0.000 2.574 216 A HA 0.957 5.277 4.320 -0.000 0.000 0.297 216 A C 0.106 177.176 177.584 -0.857 0.000 1.062 216 A CA 0.735 52.049 52.037 -1.205 0.000 0.686 216 A CB 1.602 20.303 19.000 -0.497 0.000 1.285 216 A HN 2.383 nan 8.150 nan 0.000 0.403 217 T N 1.020 115.352 114.554 -0.371 0.000 2.940 217 T HA 0.451 4.801 4.350 -0.000 0.000 0.309 217 T C 0.987 175.707 174.700 0.033 0.000 1.056 217 T CA 0.816 62.953 62.100 0.063 0.000 1.137 217 T CB 0.033 69.049 68.868 0.246 0.000 0.976 217 T HN 1.540 nan 8.240 nan 0.000 0.547 218 G N 1.748 110.606 108.800 0.098 0.000 2.594 218 G HA2 0.540 4.500 3.960 -0.000 0.000 0.243 218 G HA3 0.540 4.500 3.960 -0.000 0.000 0.243 218 G C 0.214 175.177 174.900 0.104 0.000 1.229 218 G CA -0.084 45.083 45.100 0.112 0.000 0.843 218 G HN 1.183 nan 8.290 nan 0.000 0.578 219 G N -1.724 107.145 108.800 0.116 0.000 2.361 219 G HA2 0.738 4.698 3.960 -0.000 0.000 0.299 219 G HA3 0.738 4.698 3.960 -0.000 0.000 0.299 219 G C -0.292 174.627 174.900 0.032 0.000 1.544 219 G CA 0.451 45.582 45.100 0.051 0.000 0.860 219 G HN 2.127 nan 8.290 nan 0.000 0.610 220 G N -1.844 106.876 108.800 -0.134 0.000 2.373 220 G HA2 0.538 4.498 3.960 -0.000 0.000 0.250 220 G HA3 0.538 4.498 3.960 -0.000 0.000 0.250 220 G C -1.761 173.025 174.900 -0.191 0.000 1.304 220 G CA 0.384 45.247 45.100 -0.396 0.000 0.948 220 G HN 1.665 nan 8.290 nan 0.000 0.474 221 V N 0.902 120.769 119.914 -0.079 0.000 2.531 221 V HA 0.658 4.778 4.120 -0.000 0.000 0.301 221 V C 0.743 176.888 176.094 0.085 0.000 1.034 221 V CA -0.224 62.082 62.300 0.009 0.000 0.865 221 V CB 1.291 33.115 31.823 0.002 0.000 0.995 221 V HN 1.072 nan 8.190 nan 0.000 0.424 222 S N 3.369 119.129 115.700 0.100 0.000 2.560 222 S HA 0.187 4.657 4.470 -0.000 0.000 0.284 222 S C 0.996 175.652 174.600 0.093 0.000 1.327 222 S CA 0.072 58.363 58.200 0.151 0.000 1.055 222 S CB 0.449 63.791 63.200 0.237 0.000 0.868 222 S HN 0.732 nan 8.310 nan 0.000 0.506 223 R N 2.635 123.182 120.500 0.078 0.000 2.308 223 R HA 0.308 4.648 4.340 -0.000 0.000 0.202 223 R C 1.153 177.422 176.300 -0.053 0.000 0.898 223 R CA 0.343 56.455 56.100 0.019 0.000 1.046 223 R CB 0.017 30.334 30.300 0.029 0.000 1.026 223 R HN 0.587 nan 8.270 nan 0.000 0.512 224 I N -0.722 119.782 120.570 -0.111 0.000 2.628 224 I HA 0.108 4.278 4.170 -0.000 0.000 0.255 224 I C 0.081 175.872 176.117 -0.542 0.000 1.119 224 I CA 0.487 61.557 61.300 -0.382 0.000 1.448 224 I CB -0.284 37.345 38.000 -0.619 0.000 1.133 224 I HN -0.146 nan 8.210 nan 0.000 0.438 225 F N 3.366 123.316 119.950 0.000 0.000 2.436 225 F HA 0.452 4.979 4.527 -0.000 0.000 0.340 225 F C -1.877 173.879 175.800 -0.072 0.000 1.113 225 F CA -2.593 55.391 58.000 -0.026 0.000 1.022 225 F CB 0.511 39.505 39.000 -0.010 0.000 1.128 225 F HN -0.132 nan 8.300 nan 0.000 0.466 226 P HA 0.055 nan 4.420 nan 0.000 0.274 226 P C -0.602 176.626 177.300 -0.121 0.000 1.260 226 P CA -0.457 62.617 63.100 -0.043 0.000 0.793 226 P CB 1.042 32.707 31.700 -0.059 0.000 1.048 227 L N 2.272 123.378 121.223 -0.194 0.000 2.477 227 L HA 0.243 4.583 4.340 -0.000 0.000 0.272 227 L C -2.217 174.391 176.870 -0.437 0.000 1.157 227 L CA -1.434 53.206 54.840 -0.333 0.000 0.889 227 L CB -0.660 41.210 42.059 -0.316 0.000 1.158 227 L HN 0.228 nan 8.230 nan 0.000 0.473 228 P HA 0.143 nan 4.420 nan 0.000 0.271 228 P C -0.003 176.797 177.300 -0.834 0.000 1.218 228 P CA -0.163 62.405 63.100 -0.887 0.000 0.780 228 P CB 1.006 31.610 31.700 -1.826 0.000 0.901 229 A N 3.240 125.737 122.820 -0.540 0.000 1.972 229 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 229 A C 1.620 179.018 177.584 -0.309 0.000 1.169 229 A CA 1.054 52.889 52.037 -0.336 0.000 0.635 229 A CB -1.340 17.575 19.000 -0.141 0.000 0.810 229 A HN 0.801 nan 8.150 nan 0.000 0.446 230 W N -0.751 120.422 121.300 -0.210 0.000 2.721 230 W HA 0.012 4.672 4.660 -0.000 0.000 0.245 230 W C 0.859 177.125 176.519 -0.421 0.000 1.276 230 W CA 0.676 57.880 57.345 -0.234 0.000 1.342 230 W CB -0.769 28.556 29.460 -0.225 0.000 1.135 230 W HN 0.434 nan 8.180 nan 0.000 0.654 231 Q N 0.737 120.087 119.800 -0.750 0.000 2.280 231 Q HA 0.008 4.348 4.340 -0.000 0.000 0.201 231 Q C 1.471 177.174 176.000 -0.496 0.000 0.890 231 Q CA 0.067 55.413 55.803 -0.761 0.000 0.947 231 Q CB 0.163 28.294 28.738 -1.012 0.000 1.081 231 Q HN 0.409 nan 8.270 nan 0.000 0.502 232 E N -0.037 119.914 120.200 -0.414 0.000 2.204 232 E HA -0.142 4.207 4.350 -0.000 0.000 0.194 232 E C 0.815 177.149 176.600 -0.444 0.000 0.989 232 E CA 0.708 56.848 56.400 -0.433 0.000 0.824 232 E CB 0.223 29.643 29.700 -0.467 0.000 0.756 232 E HN 0.445 nan 8.360 nan 0.000 0.477 233 H N -1.440 117.565 119.070 -0.108 0.000 2.520 233 H HA 0.297 4.853 4.556 -0.000 0.000 0.284 233 H C 0.955 176.263 175.328 -0.034 0.000 1.037 233 H CA 0.371 56.389 56.048 -0.049 0.000 1.168 233 H CB 0.755 30.517 29.762 0.000 0.000 1.497 233 H HN 0.089 nan 8.280 nan 0.000 0.547 234 A N 0.961 123.760 122.820 -0.035 0.000 2.275 234 A HA -0.023 4.296 4.320 -0.000 0.000 0.212 234 A C 1.039 178.599 177.584 -0.040 0.000 1.201 234 A CA 0.150 52.171 52.037 -0.027 0.000 0.843 234 A CB -0.058 18.802 19.000 -0.235 0.000 0.873 234 A HN 0.407 nan 8.150 nan 0.000 0.492 235 N N -0.793 117.862 118.700 -0.074 0.000 2.740 235 N HA -0.140 4.600 4.740 -0.000 0.000 0.248 235 N C -0.491 174.999 175.510 -0.034 0.000 1.062 235 N CA 0.786 53.821 53.050 -0.025 0.000 0.704 235 N CB -2.086 36.438 38.487 0.061 0.000 0.968 235 N HN 0.169 nan 8.380 nan 0.000 0.547 236 V N 1.301 121.062 119.914 -0.256 0.000 2.599 236 V HA 0.202 4.322 4.120 -0.000 0.000 0.300 236 V C -1.019 175.024 176.094 -0.085 0.000 1.034 236 V CA -0.386 61.724 62.300 -0.318 0.000 1.115 236 V CB 0.586 32.042 31.823 -0.612 0.000 0.934 236 V HN 0.337 nan 8.190 nan 0.000 0.485 237 P HA 0.444 nan 4.420 nan 0.000 0.281 237 P C -2.756 174.553 177.300 0.015 0.000 1.281 237 P CA -1.925 61.200 63.100 0.041 0.000 0.811 237 P CB 0.322 32.091 31.700 0.114 0.000 1.154 238 P HA 0.042 nan 4.420 nan 0.000 0.274 238 P C 0.202 177.556 177.300 0.089 0.000 1.237 238 P CA -0.091 63.026 63.100 0.028 0.000 0.793 238 P CB 0.267 31.980 31.700 0.022 0.000 0.977 239 S N 0.473 116.227 115.700 0.090 0.000 2.558 239 S HA 0.109 4.579 4.470 -0.000 0.000 0.287 239 S C 1.452 176.153 174.600 0.168 0.000 1.321 239 S CA 0.138 58.439 58.200 0.168 0.000 1.048 239 S CB -0.296 62.980 63.200 0.127 0.000 0.844 239 S HN 0.507 nan 8.310 nan 0.000 0.512 240 A N 4.330 127.265 122.820 0.192 0.000 2.235 240 A HA 0.149 4.469 4.320 -0.000 0.000 0.208 240 A C 0.729 178.384 177.584 0.119 0.000 1.172 240 A CA -0.014 52.046 52.037 0.038 0.000 0.786 240 A CB -0.467 18.337 19.000 -0.327 0.000 0.804 240 A HN 0.790 nan 8.150 nan 0.000 0.479 241 N N 0.445 119.237 118.700 0.152 0.000 2.525 241 N HA 0.213 4.953 4.740 -0.000 0.000 0.271 241 N C -1.805 173.743 175.510 0.062 0.000 1.194 241 N CA -1.792 51.325 53.050 0.112 0.000 0.964 241 N CB 0.458 38.988 38.487 0.072 0.000 1.126 241 N HN -0.114 nan 8.380 nan 0.000 0.452 242 P HA -0.188 nan 4.420 nan 0.000 0.222 242 P C 0.944 178.256 177.300 0.021 0.000 1.157 242 P CA 1.741 64.857 63.100 0.026 0.000 0.905 242 P CB 0.079 31.788 31.700 0.015 0.000 0.792 243 G N -1.709 107.102 108.800 0.017 0.000 3.026 243 G HA2 0.195 4.155 3.960 -0.000 0.000 0.208 243 G HA3 0.195 4.155 3.960 -0.000 0.000 0.208 243 G C 0.616 175.524 174.900 0.013 0.000 1.169 243 G CA 0.443 45.550 45.100 0.011 0.000 0.788 243 G HN 0.404 nan 8.290 nan 0.000 0.533 244 A N -0.564 122.271 122.820 0.024 0.000 2.783 244 A HA -0.154 4.166 4.320 -0.000 0.000 0.292 244 A C 0.975 178.569 177.584 0.017 0.000 1.495 244 A CA 0.835 52.888 52.037 0.027 0.000 0.787 244 A CB -2.119 16.892 19.000 0.019 0.000 1.017 244 A HN 0.558 nan 8.150 nan 0.000 0.516 245 S N 0.381 116.090 115.700 0.016 0.000 2.548 245 S HA 0.411 4.881 4.470 -0.000 0.000 0.277 245 S C 0.777 175.371 174.600 -0.009 0.000 1.315 245 S CA 0.374 58.574 58.200 -0.001 0.000 1.050 245 S CB 1.207 64.405 63.200 -0.003 0.000 0.918 245 S HN 0.885 nan 8.310 nan 0.000 0.497 246 S N 1.757 117.438 115.700 -0.031 0.000 2.558 246 S HA 0.488 4.958 4.470 -0.000 0.000 0.288 246 S C 0.465 175.028 174.600 -0.061 0.000 1.318 246 S CA 0.252 58.417 58.200 -0.058 0.000 1.056 246 S CB -0.066 63.088 63.200 -0.078 0.000 0.853 246 S HN 0.943 nan 8.310 nan 0.000 0.505 247 G N 3.043 111.792 108.800 -0.086 0.000 2.523 247 G HA2 0.352 4.312 3.960 -0.000 0.000 0.291 247 G HA3 0.352 4.312 3.960 -0.000 0.000 0.291 247 G C -1.288 173.541 174.900 -0.117 0.000 1.450 247 G CA -0.957 44.103 45.100 -0.066 0.000 0.790 247 G HN 0.636 nan 8.290 nan 0.000 0.496 248 R N 0.394 120.845 120.500 -0.081 0.000 2.480 248 R HA 0.213 4.553 4.340 -0.000 0.000 0.303 248 R C 0.673 176.922 176.300 -0.084 0.000 0.985 248 R CA 0.481 56.493 56.100 -0.147 0.000 1.051 248 R CB -0.098 30.168 30.300 -0.058 0.000 0.935 248 R HN 0.749 nan 8.270 nan 0.000 0.410 249 G N 3.261 111.954 108.800 -0.178 0.000 2.364 249 G HA2 0.368 4.328 3.960 -0.000 0.000 0.267 249 G HA3 0.368 4.328 3.960 -0.000 0.000 0.267 249 G C -0.624 174.513 174.900 0.395 0.000 1.233 249 G CA -0.502 44.621 45.100 0.039 0.000 0.885 249 G HN 0.434 nan 8.290 nan 0.000 0.490 250 V N 5.747 125.894 119.914 0.388 0.000 2.628 250 V HA 0.544 4.664 4.120 -0.000 0.000 0.306 250 V C -1.751 174.432 176.094 0.148 0.000 1.045 250 V CA -1.336 61.131 62.300 0.279 0.000 0.905 250 V CB 2.406 34.331 31.823 0.171 0.000 0.997 250 V HN 0.717 nan 8.190 nan 0.000 0.436 251 P HA 0.437 nan 4.420 nan 0.000 0.325 251 P C -0.423 177.047 177.300 0.284 0.000 1.298 251 P CA -0.232 62.968 63.100 0.165 0.000 0.771 251 P CB 1.928 33.681 31.700 0.089 0.000 1.389 252 D N -1.370 119.186 120.400 0.259 0.000 2.394 252 D HA 0.229 4.869 4.640 -0.000 0.000 0.226 252 D C 0.660 176.973 176.300 0.022 0.000 0.990 252 D CA 0.941 55.114 54.000 0.288 0.000 0.902 252 D CB 0.512 41.474 40.800 0.271 0.000 1.038 252 D HN 0.212 nan 8.370 nan 0.000 0.499 253 L N -0.314 120.934 121.223 0.042 0.000 2.341 253 L HA 0.717 5.057 4.340 -0.000 0.000 0.254 253 L C -1.057 175.913 176.870 0.168 0.000 1.040 253 L CA -0.973 53.881 54.840 0.023 0.000 0.837 253 L CB 2.458 44.507 42.059 -0.017 0.000 1.425 253 L HN -0.166 nan 8.230 nan 0.000 0.414 254 A N -0.101 122.849 122.820 0.218 0.000 2.572 254 A HA 0.947 5.266 4.320 -0.000 0.000 0.295 254 A C -0.837 176.935 177.584 0.313 0.000 1.072 254 A CA -0.014 52.167 52.037 0.241 0.000 0.691 254 A CB 2.028 21.094 19.000 0.111 0.000 1.291 254 A HN 0.811 nan 8.150 nan 0.000 0.404 255 G N -0.160 108.768 108.800 0.213 0.000 2.687 255 G HA2 0.472 4.432 3.960 -0.000 0.000 0.291 255 G HA3 0.472 4.432 3.960 -0.000 0.000 0.291 255 G C -0.938 174.086 174.900 0.206 0.000 1.420 255 G CA -0.768 44.491 45.100 0.265 0.000 0.796 255 G HN 0.960 nan 8.290 nan 0.000 0.485 256 N N -0.189 118.688 118.700 0.295 0.000 2.301 256 N HA 0.315 5.055 4.740 -0.000 0.000 0.267 256 N C 0.768 176.303 175.510 0.042 0.000 1.304 256 N CA 1.152 54.254 53.050 0.088 0.000 0.851 256 N CB 1.027 39.464 38.487 -0.082 0.000 1.070 256 N HN 0.801 nan 8.380 nan 0.000 0.483 257 A N 2.851 125.591 122.820 -0.133 0.000 2.425 257 A HA 0.094 4.414 4.320 -0.000 0.000 0.201 257 A C 0.147 177.194 177.584 -0.894 0.000 1.431 257 A CA -0.317 51.502 52.037 -0.363 0.000 1.066 257 A CB -0.032 18.752 19.000 -0.360 0.000 1.318 257 A HN 0.644 nan 8.150 nan 0.000 0.534 258 D N 1.314 121.241 120.400 -0.790 0.000 2.382 258 D HA 0.199 4.839 4.640 -0.000 0.000 0.259 258 D C -1.660 174.349 176.300 -0.484 0.000 1.224 258 D CA -1.539 51.909 54.000 -0.920 0.000 0.894 258 D CB 1.257 41.886 40.800 -0.285 0.000 1.127 258 D HN 0.013 nan 8.370 nan 0.000 0.487 259 P HA -0.156 nan 4.420 nan 0.000 0.218 259 P C 0.809 178.046 177.300 -0.106 0.000 1.146 259 P CA 1.480 64.483 63.100 -0.161 0.000 0.813 259 P CB 0.201 31.877 31.700 -0.040 0.000 0.778 260 A N -0.964 121.817 122.820 -0.064 0.000 2.121 260 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 260 A C 1.516 179.049 177.584 -0.084 0.000 1.154 260 A CA 1.843 53.856 52.037 -0.040 0.000 0.679 260 A CB -1.240 17.771 19.000 0.019 0.000 0.795 260 A HN 0.328 nan 8.150 nan 0.000 0.458 261 T N -3.147 111.339 114.554 -0.114 0.000 3.448 261 T HA 0.516 4.866 4.350 -0.000 0.000 0.271 261 T C 0.560 175.148 174.700 -0.187 0.000 1.002 261 T CA 0.159 62.185 62.100 -0.123 0.000 0.995 261 T CB 0.101 68.981 68.868 0.019 0.000 1.153 261 T HN 0.381 nan 8.240 nan 0.000 0.510 262 G N 0.522 109.179 108.800 -0.238 0.000 2.621 262 G HA2 0.501 4.461 3.960 -0.000 0.000 0.271 262 G HA3 0.501 4.461 3.960 -0.000 0.000 0.271 262 G C -1.016 173.685 174.900 -0.331 0.000 1.236 262 G CA -0.789 44.154 45.100 -0.262 0.000 0.958 262 G HN 0.482 nan 8.290 nan 0.000 0.512 263 Y N -0.210 120.040 120.300 -0.082 0.000 2.308 263 Y HA 0.276 4.826 4.550 -0.000 0.000 0.329 263 Y C 0.812 176.676 175.900 -0.060 0.000 1.111 263 Y CA -0.305 57.759 58.100 -0.059 0.000 1.179 263 Y CB 1.215 39.620 38.460 -0.091 0.000 1.201 263 Y HN 0.426 nan 8.280 nan 0.000 0.483 264 E N 3.369 123.630 120.200 0.102 0.000 2.180 264 E HA 0.375 4.725 4.350 -0.000 0.000 0.283 264 E C -0.603 176.070 176.600 0.122 0.000 1.061 264 E CA -0.456 55.988 56.400 0.073 0.000 0.861 264 E CB 0.658 30.388 29.700 0.050 0.000 1.056 264 E HN 0.477 nan 8.360 nan 0.000 0.407 265 V N -0.205 119.726 119.914 0.029 0.000 3.156 265 V HA 0.639 4.759 4.120 -0.000 0.000 0.311 265 V C -0.564 175.502 176.094 -0.046 0.000 1.208 265 V CA -0.997 61.239 62.300 -0.106 0.000 1.063 265 V CB 2.061 33.726 31.823 -0.263 0.000 1.098 265 V HN 0.266 nan 8.190 nan 0.000 0.452 266 V N 2.930 122.775 119.914 -0.114 0.000 2.376 266 V HA 0.540 4.660 4.120 -0.000 0.000 0.287 266 V C -0.796 175.246 176.094 -0.087 0.000 1.015 266 V CA -0.239 62.037 62.300 -0.040 0.000 0.834 266 V CB 1.097 32.942 31.823 0.037 0.000 1.001 266 V HN 0.668 nan 8.190 nan 0.000 0.428 267 I N 3.473 124.010 120.570 -0.054 0.000 2.406 267 I HA 0.478 4.647 4.170 -0.000 0.000 0.290 267 I C 0.356 176.465 176.117 -0.013 0.000 0.999 267 I CA -0.438 60.837 61.300 -0.041 0.000 1.124 267 I CB 1.481 39.454 38.000 -0.044 0.000 1.289 267 I HN 0.616 nan 8.210 nan 0.000 0.441 268 D N 5.172 125.573 120.400 0.003 0.000 2.701 268 D HA -0.190 4.450 4.640 -0.000 0.000 0.235 268 D C 1.275 177.579 176.300 0.007 0.000 1.155 268 D CA 1.508 55.514 54.000 0.010 0.000 0.649 268 D CB -0.896 39.909 40.800 0.008 0.000 1.050 268 D HN 1.155 nan 8.370 nan 0.000 0.425 269 G N -0.084 108.721 108.800 0.008 0.000 2.168 269 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.263 269 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.263 269 G C 0.037 174.940 174.900 0.005 0.000 0.977 269 G CA 0.931 46.037 45.100 0.010 0.000 0.659 269 G HN 0.697 nan 8.290 nan 0.000 0.533 270 E N -0.581 119.619 120.200 0.000 0.000 2.293 270 E HA 0.788 5.137 4.350 -0.000 0.000 0.270 270 E C 0.145 176.743 176.600 -0.003 0.000 0.879 270 E CA -0.646 55.753 56.400 -0.001 0.000 0.756 270 E CB 1.689 31.387 29.700 -0.003 0.000 1.208 270 E HN 0.932 nan 8.360 nan 0.000 0.428 271 A N 2.059 124.879 122.820 -0.000 0.000 2.425 271 A HA 0.533 4.853 4.320 -0.000 0.000 0.242 271 A C 0.172 177.752 177.584 -0.008 0.000 1.077 271 A CA 0.401 52.439 52.037 0.002 0.000 0.781 271 A CB 0.943 19.945 19.000 0.003 0.000 1.020 271 A HN 0.634 nan 8.150 nan 0.000 0.494 272 T N -0.430 114.118 114.554 -0.011 0.000 2.693 272 T HA 0.484 4.834 4.350 -0.000 0.000 0.304 272 T C -1.843 172.845 174.700 -0.020 0.000 1.471 272 T CA -0.261 61.828 62.100 -0.018 0.000 0.993 272 T CB 0.967 69.823 68.868 -0.021 0.000 1.554 272 T HN 0.937 nan 8.240 nan 0.000 0.496 273 V N 3.448 123.347 119.914 -0.025 0.000 2.482 273 V HA 0.668 4.788 4.120 -0.000 0.000 0.295 273 V C -0.129 175.950 176.094 -0.025 0.000 1.026 273 V CA -0.631 61.652 62.300 -0.027 0.000 0.856 273 V CB 0.827 32.617 31.823 -0.054 0.000 1.001 273 V HN 0.789 nan 8.190 nan 0.000 0.424 274 I N 1.564 122.130 120.570 -0.006 0.000 3.145 274 I HA 1.082 5.252 4.170 -0.000 0.000 0.313 274 I C 0.263 176.393 176.117 0.021 0.000 1.122 274 I CA -0.609 60.681 61.300 -0.016 0.000 0.987 274 I CB 2.457 40.436 38.000 -0.035 0.000 1.236 274 I HN 0.600 nan 8.210 nan 0.000 0.453 275 G N 0.580 109.348 108.800 -0.054 0.000 3.265 275 G HA2 0.750 4.710 3.960 -0.000 0.000 0.171 275 G HA3 0.750 4.710 3.960 -0.000 0.000 0.171 275 G C -0.194 174.585 174.900 -0.202 0.000 1.110 275 G CA -0.638 44.403 45.100 -0.098 0.000 0.855 275 G HN 1.696 nan 8.290 nan 0.000 0.658 276 G N -1.963 106.554 108.800 -0.471 0.000 2.697 276 G HA2 0.325 4.285 3.960 -0.000 0.000 0.686 276 G HA3 0.325 4.285 3.960 -0.000 0.000 0.686 276 G C 0.768 175.563 174.900 -0.175 0.000 1.179 276 G CA 0.512 45.449 45.100 -0.271 0.000 0.765 276 G HN 1.780 nan 8.290 nan 0.000 0.649 277 T N -1.174 113.410 114.554 0.050 0.000 2.977 277 T HA -0.064 4.286 4.350 -0.000 0.000 0.271 277 T C 2.439 177.123 174.700 -0.028 0.000 1.105 277 T CA 2.208 64.340 62.100 0.054 0.000 1.116 277 T CB -0.176 68.787 68.868 0.160 0.000 0.878 277 T HN 0.973 nan 8.240 nan 0.000 0.509 278 S N 1.722 117.389 115.700 -0.056 0.000 2.420 278 S HA -0.030 4.440 4.470 -0.000 0.000 0.237 278 S C 2.371 176.874 174.600 -0.161 0.000 1.023 278 S CA 1.048 59.179 58.200 -0.115 0.000 0.991 278 S CB -0.614 62.487 63.200 -0.166 0.000 0.792 278 S HN 0.839 nan 8.310 nan 0.000 0.488 279 A N 0.176 122.873 122.820 -0.206 0.000 2.123 279 A HA 0.189 4.509 4.320 -0.000 0.000 0.214 279 A C 2.035 179.424 177.584 -0.325 0.000 1.152 279 A CA 0.472 52.298 52.037 -0.351 0.000 0.728 279 A CB -0.132 18.520 19.000 -0.580 0.000 0.814 279 A HN 0.367 nan 8.150 nan 0.000 0.464 280 V N -0.689 119.080 119.914 -0.241 0.000 2.725 280 V HA -0.042 4.078 4.120 -0.000 0.000 0.247 280 V C 2.886 178.773 176.094 -0.345 0.000 1.058 280 V CA 1.346 63.424 62.300 -0.371 0.000 1.080 280 V CB -0.700 30.930 31.823 -0.321 0.000 0.713 280 V HN 0.525 nan 8.190 nan 0.000 0.465 281 A N 0.844 123.583 122.820 -0.134 0.000 1.902 281 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 281 A C 0.440 178.032 177.584 0.013 0.000 1.181 281 A CA 1.776 53.806 52.037 -0.013 0.000 0.623 281 A CB -1.723 17.296 19.000 0.032 0.000 0.818 281 A HN 0.506 nan 8.150 nan 0.000 0.443 282 P HA -0.152 nan 4.420 nan 0.000 0.215 282 P C 1.708 179.045 177.300 0.062 0.000 1.153 282 P CA 0.961 64.074 63.100 0.022 0.000 0.853 282 P CB -0.093 31.567 31.700 -0.066 0.000 0.788 283 L N -1.542 119.655 121.223 -0.044 0.000 1.989 283 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 283 L C 2.005 179.107 176.870 0.387 0.000 1.071 283 L CA 2.173 57.052 54.840 0.066 0.000 0.749 283 L CB -1.277 40.688 42.059 -0.156 0.000 0.890 283 L HN -0.144 nan 8.230 nan 0.000 0.431 284 F N -0.108 119.966 119.950 0.207 0.000 2.456 284 F HA 0.184 4.711 4.527 -0.000 0.000 0.298 284 F C 2.498 178.345 175.800 0.079 0.000 1.104 284 F CA 0.253 58.340 58.000 0.145 0.000 1.435 284 F CB -1.686 37.370 39.000 0.094 0.000 1.078 284 F HN 0.215 nan 8.300 nan 0.000 0.546 285 A N 0.380 123.364 122.820 0.273 0.000 1.908 285 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 285 A C 2.526 180.207 177.584 0.162 0.000 1.181 285 A CA 1.900 54.043 52.037 0.177 0.000 0.627 285 A CB -1.135 17.959 19.000 0.156 0.000 0.818 285 A HN 0.263 nan 8.150 nan 0.000 0.445 286 A N -0.514 122.447 122.820 0.235 0.000 1.902 286 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 286 A C 2.126 179.806 177.584 0.161 0.000 1.181 286 A CA 1.768 53.959 52.037 0.255 0.000 0.623 286 A CB -0.641 18.582 19.000 0.372 0.000 0.818 286 A HN 0.719 nan 8.150 nan 0.000 0.443 287 L N 0.042 121.319 121.223 0.091 0.000 2.012 287 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 287 L C 2.366 179.130 176.870 -0.177 0.000 1.073 287 L CA 2.026 56.678 54.840 -0.313 0.000 0.748 287 L CB -0.650 41.091 42.059 -0.529 0.000 0.891 287 L HN 0.152 nan 8.230 nan 0.000 0.431 288 V N -0.001 119.875 119.914 -0.062 0.000 2.427 288 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 288 V C 2.791 178.857 176.094 -0.047 0.000 1.051 288 V CA 1.429 63.692 62.300 -0.061 0.000 1.048 288 V CB -1.268 30.543 31.823 -0.020 0.000 0.666 288 V HN 0.612 nan 8.190 nan 0.000 0.456 289 A N 0.075 122.885 122.820 -0.017 0.000 1.902 289 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 289 A C 2.376 179.945 177.584 -0.025 0.000 1.181 289 A CA 1.649 53.672 52.037 -0.023 0.000 0.623 289 A CB -0.471 18.517 19.000 -0.021 0.000 0.818 289 A HN 0.500 nan 8.150 nan 0.000 0.443 290 R N -0.500 119.989 120.500 -0.019 0.000 2.091 290 R HA -0.105 4.235 4.340 -0.000 0.000 0.238 290 R C 1.974 178.246 176.300 -0.047 0.000 1.136 290 R CA 1.693 57.780 56.100 -0.022 0.000 0.959 290 R CB -0.565 29.720 30.300 -0.024 0.000 0.856 290 R HN 0.597 nan 8.270 nan 0.000 0.437 291 I N 1.185 121.709 120.570 -0.077 0.000 2.252 291 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 291 I C 1.676 177.758 176.117 -0.057 0.000 1.102 291 I CA 1.006 62.258 61.300 -0.079 0.000 1.385 291 I CB -0.402 37.534 38.000 -0.107 0.000 1.064 291 I HN 0.128 nan 8.210 nan 0.000 0.414 292 N N 0.752 119.422 118.700 -0.050 0.000 2.104 292 N HA -0.253 4.487 4.740 -0.000 0.000 0.190 292 N C 1.784 177.274 175.510 -0.034 0.000 1.024 292 N CA 1.199 54.225 53.050 -0.040 0.000 0.853 292 N CB -0.419 38.046 38.487 -0.038 0.000 1.008 292 N HN 0.454 nan 8.380 nan 0.000 0.424 293 Q N 0.539 120.321 119.800 -0.031 0.000 2.061 293 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 293 Q C 1.799 177.786 176.000 -0.022 0.000 0.984 293 Q CA 1.672 57.461 55.803 -0.024 0.000 0.846 293 Q CB 0.035 28.763 28.738 -0.017 0.000 0.902 293 Q HN 0.071 nan 8.270 nan 0.000 0.421 294 K N 0.316 120.700 120.400 -0.027 0.000 2.062 294 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 294 K C 1.879 178.462 176.600 -0.028 0.000 1.051 294 K CA 1.187 57.458 56.287 -0.026 0.000 0.941 294 K CB -0.223 32.258 32.500 -0.032 0.000 0.719 294 K HN 0.294 nan 8.250 nan 0.000 0.440 295 L N -0.887 120.316 121.223 -0.034 0.000 2.240 295 L HA 0.137 4.477 4.340 -0.000 0.000 0.211 295 L C 1.255 178.109 176.870 -0.026 0.000 1.106 295 L CA 0.687 55.507 54.840 -0.032 0.000 0.793 295 L CB -0.480 41.556 42.059 -0.038 0.000 0.927 295 L HN 0.562 nan 8.230 nan 0.000 0.446 296 G N 1.188 109.973 108.800 -0.024 0.000 2.147 296 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 296 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 296 G C 0.052 174.940 174.900 -0.020 0.000 1.005 296 G CA 0.558 45.646 45.100 -0.020 0.000 0.713 296 G HN 0.367 nan 8.290 nan 0.000 0.515 297 K N -0.821 119.565 120.400 -0.023 0.000 2.561 297 K HA 0.735 5.055 4.320 -0.000 0.000 0.254 297 K C -0.201 176.385 176.600 -0.025 0.000 0.942 297 K CA -0.099 56.175 56.287 -0.021 0.000 0.818 297 K CB 1.026 33.514 32.500 -0.019 0.000 1.306 297 K HN 1.322 nan 8.250 nan 0.000 0.435 298 A N 2.925 125.731 122.820 -0.022 0.000 2.546 298 A HA 0.246 4.566 4.320 -0.000 0.000 0.243 298 A C 1.433 179.003 177.584 -0.023 0.000 1.063 298 A CA 0.209 52.232 52.037 -0.023 0.000 0.757 298 A CB -0.068 18.921 19.000 -0.019 0.000 0.991 298 A HN 1.106 nan 8.150 nan 0.000 0.503 299 V N 2.135 122.031 119.914 -0.029 0.000 2.809 299 V HA 0.326 4.446 4.120 -0.000 0.000 0.256 299 V C 1.609 177.693 176.094 -0.016 0.000 1.080 299 V CA 1.205 63.484 62.300 -0.035 0.000 1.102 299 V CB -2.136 29.655 31.823 -0.054 0.000 0.705 299 V HN 2.421 nan 8.190 nan 0.000 0.475 300 G N 0.168 108.967 108.800 -0.001 0.000 2.611 300 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.301 300 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.301 300 G C -0.156 174.793 174.900 0.082 0.000 1.233 300 G CA 0.676 45.796 45.100 0.033 0.000 0.993 300 G HN 1.067 nan 8.290 nan 0.000 0.553 301 Y N 1.923 122.190 120.300 -0.055 0.000 2.637 301 Y HA 0.511 5.061 4.550 -0.000 0.000 0.350 301 Y C 1.404 177.236 175.900 -0.114 0.000 1.069 301 Y CA -0.131 57.927 58.100 -0.069 0.000 1.397 301 Y CB 0.238 38.675 38.460 -0.038 0.000 1.163 301 Y HN 0.485 nan 8.280 nan 0.000 0.527 302 L N 5.359 126.471 121.223 -0.185 0.000 2.513 302 L HA -0.010 4.330 4.340 -0.000 0.000 0.222 302 L C 1.484 178.088 176.870 -0.443 0.000 1.096 302 L CA 0.348 55.021 54.840 -0.279 0.000 0.857 302 L CB 0.102 42.079 42.059 -0.137 0.000 1.026 302 L HN 0.706 nan 8.230 nan 0.000 0.469 303 N N 0.849 119.151 118.700 -0.663 0.000 2.025 303 N HA -0.195 4.545 4.740 -0.000 0.000 0.194 303 N C -1.091 173.928 175.510 -0.819 0.000 1.044 303 N CA 1.333 53.962 53.050 -0.701 0.000 0.851 303 N CB -0.888 36.986 38.487 -1.021 0.000 1.036 303 N HN 0.213 nan 8.380 nan 0.000 0.422 304 P HA -0.120 nan 4.420 nan 0.000 0.216 304 P C 1.205 178.342 177.300 -0.273 0.000 1.153 304 P CA 1.512 64.092 63.100 -0.866 0.000 0.858 304 P CB -0.083 31.136 31.700 -0.801 0.000 0.789 305 T N -0.450 113.936 114.554 -0.280 0.000 2.821 305 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 305 T C 1.721 176.409 174.700 -0.021 0.000 1.046 305 T CA 0.934 62.964 62.100 -0.117 0.000 1.139 305 T CB -0.900 67.887 68.868 -0.134 0.000 0.871 305 T HN 0.056 nan 8.240 nan 0.000 0.454 306 L N -0.369 120.832 121.223 -0.036 0.000 2.043 306 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 306 L C 2.175 179.051 176.870 0.010 0.000 1.075 306 L CA 1.664 56.522 54.840 0.030 0.000 0.752 306 L CB -0.608 41.377 42.059 -0.124 0.000 0.891 306 L HN 0.330 nan 8.230 nan 0.000 0.432 307 Y N 0.045 120.348 120.300 0.005 0.000 2.561 307 Y HA -0.149 4.401 4.550 -0.000 0.000 0.291 307 Y C 2.443 178.383 175.900 0.066 0.000 1.141 307 Y CA 0.685 58.813 58.100 0.047 0.000 1.303 307 Y CB -0.061 38.473 38.460 0.123 0.000 1.015 307 Y HN 0.400 nan 8.280 nan 0.000 0.547 308 Q N -0.761 119.143 119.800 0.172 0.000 2.247 308 Q HA 0.214 4.554 4.340 -0.000 0.000 0.211 308 Q C 0.048 176.088 176.000 0.067 0.000 0.861 308 Q CA 0.024 55.889 55.803 0.102 0.000 0.949 308 Q CB 0.148 28.928 28.738 0.070 0.000 1.115 308 Q HN 0.336 nan 8.270 nan 0.000 0.507 309 L N 2.347 123.627 121.223 0.094 0.000 2.472 309 L HA 0.321 4.661 4.340 -0.000 0.000 0.260 309 L C -1.938 174.980 176.870 0.080 0.000 1.209 309 L CA -2.124 52.756 54.840 0.066 0.000 0.817 309 L CB -0.044 42.048 42.059 0.056 0.000 1.106 309 L HN -0.022 nan 8.230 nan 0.000 0.479 310 P HA -0.010 nan 4.420 nan 0.000 0.265 310 P C -0.033 177.312 177.300 0.075 0.000 1.193 310 P CA 0.002 63.117 63.100 0.025 0.000 0.765 310 P CB 0.776 32.465 31.700 -0.019 0.000 0.823 311 A N 3.414 126.293 122.820 0.098 0.000 2.076 311 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 311 A C 1.502 179.169 177.584 0.138 0.000 1.160 311 A CA 1.826 53.963 52.037 0.167 0.000 0.653 311 A CB -1.002 18.055 19.000 0.096 0.000 0.801 311 A HN 0.654 nan 8.150 nan 0.000 0.455 312 D N -0.597 119.823 120.400 0.033 0.000 2.336 312 D HA 0.034 4.674 4.640 -0.000 0.000 0.229 312 D C 1.057 177.299 176.300 -0.097 0.000 1.061 312 D CA 0.490 54.485 54.000 -0.008 0.000 0.875 312 D CB -0.498 40.294 40.800 -0.014 0.000 0.904 312 D HN 0.182 nan 8.370 nan 0.000 0.525 313 V N -0.487 119.288 119.914 -0.231 0.000 3.217 313 V HA 0.060 4.180 4.120 -0.000 0.000 0.264 313 V C 0.168 175.819 176.094 -0.737 0.000 1.135 313 V CA 0.740 62.707 62.300 -0.555 0.000 1.142 313 V CB -0.754 30.581 31.823 -0.814 0.000 0.754 313 V HN 0.054 nan 8.190 nan 0.000 0.484 314 F N -1.324 118.586 119.950 -0.067 0.000 2.546 314 F HA 0.466 4.993 4.527 -0.000 0.000 0.320 314 F C 0.285 176.068 175.800 -0.029 0.000 1.076 314 F CA -1.104 56.852 58.000 -0.073 0.000 0.928 314 F CB 0.800 39.733 39.000 -0.112 0.000 1.189 314 F HN -0.123 nan 8.300 nan 0.000 0.465 315 H N 2.635 121.757 119.070 0.087 0.000 2.782 315 H HA 0.087 4.643 4.556 -0.000 0.000 0.285 315 H C -1.026 174.329 175.328 0.045 0.000 1.093 315 H CA -0.406 55.670 56.048 0.048 0.000 1.410 315 H CB 0.646 30.421 29.762 0.023 0.000 1.439 315 H HN 0.591 nan 8.280 nan 0.000 0.469 316 D N 5.221 125.341 120.400 -0.466 0.000 2.348 316 D HA 0.101 4.741 4.640 -0.000 0.000 0.253 316 D C -0.274 175.830 176.300 -0.327 0.000 1.161 316 D CA -0.309 53.521 54.000 -0.283 0.000 0.876 316 D CB 0.391 41.081 40.800 -0.184 0.000 1.160 316 D HN 0.443 nan 8.370 nan 0.000 0.459 317 I N 2.828 123.315 120.570 -0.138 0.000 2.331 317 I HA 0.166 4.336 4.170 -0.000 0.000 0.292 317 I C 1.528 177.612 176.117 -0.056 0.000 0.998 317 I CA 0.043 61.313 61.300 -0.049 0.000 1.267 317 I CB 1.740 39.752 38.000 0.021 0.000 1.386 317 I HN 0.481 nan 8.210 nan 0.000 0.476 318 T N 0.445 114.982 114.554 -0.028 0.000 3.004 318 T HA 0.265 4.615 4.350 -0.000 0.000 0.266 318 T C 0.347 175.046 174.700 -0.002 0.000 0.986 318 T CA -0.294 61.792 62.100 -0.023 0.000 0.902 318 T CB 0.096 68.951 68.868 -0.022 0.000 1.118 318 T HN 0.525 nan 8.240 nan 0.000 0.522 319 E N 0.515 120.724 120.200 0.015 0.000 2.210 319 E HA 0.554 4.904 4.350 -0.000 0.000 0.266 319 E C -0.215 176.404 176.600 0.031 0.000 0.883 319 E CA -0.389 56.026 56.400 0.024 0.000 0.761 319 E CB 1.499 31.219 29.700 0.034 0.000 1.156 319 E HN 0.550 nan 8.360 nan 0.000 0.412 320 G N 2.769 111.585 108.800 0.025 0.000 2.423 320 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.684 320 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.684 320 G C -1.415 173.496 174.900 0.017 0.000 1.309 320 G CA -0.447 44.670 45.100 0.029 0.000 0.950 320 G HN 0.836 nan 8.290 nan 0.000 0.587 321 N N -1.497 117.211 118.700 0.014 0.000 2.610 321 N HA 0.646 5.386 4.740 -0.000 0.000 0.264 321 N C -0.045 175.465 175.510 -0.001 0.000 1.348 321 N CA -0.347 52.708 53.050 0.008 0.000 0.819 321 N CB 1.401 39.886 38.487 -0.003 0.000 1.521 321 N HN 0.773 nan 8.380 nan 0.000 0.497 322 N N -0.956 117.749 118.700 0.008 0.000 2.401 322 N HA 0.116 4.856 4.740 -0.000 0.000 0.264 322 N C -1.208 174.300 175.510 -0.003 0.000 1.238 322 N CA -0.268 52.775 53.050 -0.012 0.000 0.889 322 N CB 0.011 38.506 38.487 0.012 0.000 1.196 322 N HN 0.606 nan 8.380 nan 0.000 0.511 323 D N 1.429 121.826 120.400 -0.006 0.000 2.316 323 D HA 0.136 4.776 4.640 -0.000 0.000 0.245 323 D C 1.166 177.466 176.300 0.001 0.000 1.171 323 D CA -0.383 53.629 54.000 0.019 0.000 0.856 323 D CB 0.872 41.677 40.800 0.008 0.000 1.090 323 D HN 0.442 nan 8.370 nan 0.000 0.476 324 I N 0.643 121.218 120.570 0.009 0.000 4.240 324 I HA 0.367 4.537 4.170 -0.000 0.000 0.331 324 I C 1.001 177.119 176.117 0.002 0.000 1.381 324 I CA -0.411 60.878 61.300 -0.018 0.000 1.136 324 I CB 0.698 38.664 38.000 -0.057 0.000 1.137 324 I HN 0.219 nan 8.210 nan 0.000 0.411 325 A N 1.805 124.644 122.820 0.030 0.000 2.147 325 A HA 0.295 4.615 4.320 -0.000 0.000 0.211 325 A C 0.523 178.113 177.584 0.010 0.000 1.160 325 A CA 0.939 52.984 52.037 0.013 0.000 0.781 325 A CB -0.354 18.644 19.000 -0.004 0.000 0.842 325 A HN 0.771 nan 8.150 nan 0.000 0.475 326 N N -2.999 115.717 118.700 0.027 0.000 3.373 326 N HA 0.245 4.985 4.740 -0.000 0.000 0.275 326 N C -0.615 174.907 175.510 0.020 0.000 1.489 326 N CA -0.800 52.263 53.050 0.021 0.000 0.872 326 N CB 0.253 38.757 38.487 0.029 0.000 1.555 326 N HN -0.105 nan 8.380 nan 0.000 0.500 327 R N -0.787 119.722 120.500 0.014 0.000 2.552 327 R HA 0.400 4.740 4.340 -0.000 0.000 0.314 327 R C 0.216 176.519 176.300 0.004 0.000 1.041 327 R CA 0.256 56.360 56.100 0.007 0.000 1.076 327 R CB 0.272 30.574 30.300 0.004 0.000 1.290 327 R HN 0.656 nan 8.270 nan 0.000 0.563 328 A N 0.626 123.452 122.820 0.010 0.000 2.238 328 A HA -0.044 4.275 4.320 -0.000 0.000 0.208 328 A C 0.550 178.112 177.584 -0.036 0.000 1.177 328 A CA 0.199 52.233 52.037 -0.005 0.000 0.804 328 A CB 0.057 19.063 19.000 0.009 0.000 0.823 328 A HN 0.458 nan 8.150 nan 0.000 0.482 329 Q N -1.650 118.127 119.800 -0.038 0.000 2.493 329 Q HA -0.168 4.171 4.340 -0.000 0.000 0.278 329 Q C -0.946 174.982 176.000 -0.120 0.000 1.216 329 Q CA 0.703 56.474 55.803 -0.054 0.000 0.875 329 Q CB -1.803 26.916 28.738 -0.031 0.000 1.262 329 Q HN 0.715 nan 8.270 nan 0.000 0.468 330 I N 1.184 121.617 120.570 -0.228 0.000 2.330 330 I HA 0.325 4.495 4.170 -0.000 0.000 0.289 330 I C 0.027 175.837 176.117 -0.511 0.000 1.001 330 I CA -0.529 60.428 61.300 -0.572 0.000 1.193 330 I CB 0.489 37.897 38.000 -0.987 0.000 1.345 330 I HN 0.003 nan 8.210 nan 0.000 0.461 331 Y N 4.169 124.365 120.300 -0.172 0.000 2.519 331 Y HA 0.499 5.049 4.550 -0.000 0.000 0.324 331 Y C 0.324 176.169 175.900 -0.090 0.000 1.214 331 Y CA -0.547 57.468 58.100 -0.142 0.000 1.260 331 Y CB 0.934 39.322 38.460 -0.120 0.000 1.311 331 Y HN 0.445 nan 8.280 nan 0.000 0.505 332 Q N 0.850 120.712 119.800 0.103 0.000 2.345 332 Q HA 0.714 5.054 4.340 -0.000 0.000 0.268 332 Q C -0.996 175.012 176.000 0.013 0.000 1.054 332 Q CA -1.026 54.799 55.803 0.037 0.000 0.835 332 Q CB 2.060 30.809 28.738 0.019 0.000 1.339 332 Q HN 0.865 nan 8.270 nan 0.000 0.447 333 A N 1.205 124.019 122.820 -0.009 0.000 2.366 333 A HA 0.773 5.093 4.320 -0.000 0.000 0.249 333 A C 0.138 177.710 177.584 -0.021 0.000 1.084 333 A CA 0.664 52.678 52.037 -0.038 0.000 0.794 333 A CB 0.591 19.571 19.000 -0.032 0.000 1.034 333 A HN 0.813 nan 8.150 nan 0.000 0.491 334 G N -0.589 108.193 108.800 -0.031 0.000 2.489 334 G HA2 0.561 4.521 3.960 -0.000 0.000 0.305 334 G HA3 0.561 4.521 3.960 -0.000 0.000 0.305 334 G C -3.463 171.429 174.900 -0.013 0.000 1.311 334 G CA -0.862 44.233 45.100 -0.009 0.000 0.813 334 G HN 0.503 nan 8.290 nan 0.000 0.480 335 P HA 0.386 nan 4.420 nan 0.000 0.265 335 P C 0.928 178.242 177.300 0.022 0.000 1.193 335 P CA 1.971 65.073 63.100 0.003 0.000 0.765 335 P CB 0.799 32.508 31.700 0.014 0.000 0.823 336 G N 1.948 110.756 108.800 0.013 0.000 2.569 336 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.259 336 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.259 336 G C -0.815 174.122 174.900 0.061 0.000 1.263 336 G CA -0.298 44.831 45.100 0.048 0.000 0.928 336 G HN 0.641 nan 8.290 nan 0.000 0.572 337 W N 2.685 123.956 121.300 -0.049 0.000 2.264 337 W HA 0.459 5.119 4.660 -0.000 0.000 0.331 337 W C 0.564 177.069 176.519 -0.024 0.000 1.364 337 W CA 0.811 58.129 57.345 -0.046 0.000 1.253 337 W CB 0.283 29.753 29.460 0.017 0.000 1.215 337 W HN 0.916 nan 8.180 nan 0.000 0.561 338 D N 4.024 124.003 120.400 -0.702 0.000 2.559 338 D HA 0.416 5.056 4.640 -0.000 0.000 0.250 338 D C -2.594 172.857 176.300 -1.416 0.000 1.135 338 D CA -2.016 51.587 54.000 -0.661 0.000 0.955 338 D CB 1.795 42.425 40.800 -0.282 0.000 1.442 338 D HN 0.059 nan 8.370 nan 0.000 0.471 339 P HA 0.240 nan 4.420 nan 0.000 0.255 339 P C -0.030 177.050 177.300 -0.366 0.000 1.357 339 P CA 0.061 62.768 63.100 -0.656 0.000 0.839 339 P CB -0.019 31.353 31.700 -0.547 0.000 1.356 340 C N -2.350 116.753 119.300 -0.329 0.000 2.628 340 C HA 0.138 4.598 4.460 -0.000 0.000 0.393 340 C C 1.825 176.731 174.990 -0.141 0.000 1.328 340 C CA 1.097 60.027 59.018 -0.146 0.000 2.079 340 C CB -0.671 27.030 27.740 -0.066 0.000 2.663 340 C HN 0.292 nan 8.230 nan 0.000 0.557 341 T N -2.662 111.737 114.554 -0.258 0.000 3.192 341 T HA 0.484 4.834 4.350 -0.000 0.000 0.295 341 T C 1.009 175.524 174.700 -0.309 0.000 0.947 341 T CA 1.008 62.999 62.100 -0.182 0.000 0.916 341 T CB 0.156 68.964 68.868 -0.100 0.000 1.169 341 T HN 0.886 nan 8.240 nan 0.000 0.540 342 G N 2.708 111.128 108.800 -0.632 0.000 2.566 342 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 342 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 342 G C 0.629 175.174 174.900 -0.592 0.000 1.225 342 G CA 0.182 44.818 45.100 -0.774 0.000 0.966 342 G HN 0.528 nan 8.290 nan 0.000 0.560 343 L N 2.240 123.241 121.223 -0.370 0.000 2.456 343 L HA 0.363 4.703 4.340 -0.000 0.000 0.224 343 L C 1.842 178.500 176.870 -0.354 0.000 1.148 343 L CA 1.241 55.790 54.840 -0.485 0.000 0.825 343 L CB -1.234 40.127 42.059 -1.164 0.000 0.937 343 L HN 1.932 nan 8.230 nan 0.000 0.450 344 G N -0.688 107.974 108.800 -0.230 0.000 2.362 344 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.517 344 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.517 344 G C -0.564 174.331 174.900 -0.008 0.000 1.256 344 G CA -0.333 44.721 45.100 -0.077 0.000 1.027 344 G HN 0.177 nan 8.290 nan 0.000 0.491 345 S N 1.391 117.109 115.700 0.030 0.000 2.513 345 S HA 0.707 5.177 4.470 -0.000 0.000 0.276 345 S C -2.068 172.470 174.600 -0.104 0.000 1.254 345 S CA -0.721 57.396 58.200 -0.138 0.000 1.053 345 S CB 1.852 64.801 63.200 -0.418 0.000 0.958 345 S HN 0.706 nan 8.310 nan 0.000 0.491 346 P HA 0.279 nan 4.420 nan 0.000 0.271 346 P C -0.710 176.493 177.300 -0.161 0.000 1.218 346 P CA -0.408 62.585 63.100 -0.178 0.000 0.780 346 P CB 0.412 31.892 31.700 -0.367 0.000 0.901 347 I N 2.112 122.570 120.570 -0.187 0.000 2.307 347 I HA 0.174 4.344 4.170 -0.000 0.000 0.287 347 I C 1.885 177.933 176.117 -0.114 0.000 1.054 347 I CA -0.313 60.942 61.300 -0.076 0.000 1.218 347 I CB 0.826 38.789 38.000 -0.062 0.000 1.398 347 I HN 0.444 nan 8.210 nan 0.000 0.475 348 G N 5.085 113.864 108.800 -0.035 0.000 2.476 348 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 348 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 348 G C 1.489 176.323 174.900 -0.109 0.000 1.164 348 G CA 1.476 46.502 45.100 -0.123 0.000 0.768 348 G HN 0.581 nan 8.290 nan 0.000 0.560 349 V N -1.358 118.529 119.914 -0.046 0.000 2.548 349 V HA 0.046 4.166 4.120 -0.000 0.000 0.249 349 V C 2.569 178.609 176.094 -0.089 0.000 1.055 349 V CA 1.753 64.022 62.300 -0.053 0.000 1.065 349 V CB -0.573 31.239 31.823 -0.019 0.000 0.681 349 V HN 0.301 nan 8.190 nan 0.000 0.462 350 R N -0.044 120.387 120.500 -0.115 0.000 2.090 350 R HA 0.070 4.410 4.340 -0.000 0.000 0.228 350 R C 2.267 178.446 176.300 -0.202 0.000 1.110 350 R CA 1.461 57.472 56.100 -0.149 0.000 0.973 350 R CB -0.542 29.655 30.300 -0.172 0.000 0.869 350 R HN 0.509 nan 8.270 nan 0.000 0.440 351 L N 1.239 122.310 121.223 -0.254 0.000 1.994 351 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 351 L C 2.054 178.809 176.870 -0.192 0.000 1.071 351 L CA 1.583 56.253 54.840 -0.283 0.000 0.745 351 L CB -0.713 41.153 42.059 -0.322 0.000 0.892 351 L HN 0.119 nan 8.230 nan 0.000 0.431 352 L N -0.291 120.835 121.223 -0.161 0.000 2.012 352 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 352 L C 2.593 179.404 176.870 -0.098 0.000 1.073 352 L CA 2.293 57.061 54.840 -0.121 0.000 0.748 352 L CB -1.072 40.926 42.059 -0.103 0.000 0.891 352 L HN 0.541 nan 8.230 nan 0.000 0.431 353 Q N -0.196 119.547 119.800 -0.094 0.000 2.112 353 Q HA -0.190 4.150 4.340 -0.000 0.000 0.206 353 Q C 2.092 178.044 176.000 -0.079 0.000 0.987 353 Q CA 2.319 58.075 55.803 -0.077 0.000 0.858 353 Q CB -0.508 28.186 28.738 -0.073 0.000 0.905 353 Q HN 0.654 nan 8.270 nan 0.000 0.420 354 A N -0.560 122.200 122.820 -0.100 0.000 2.121 354 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 354 A C 1.721 179.256 177.584 -0.081 0.000 1.154 354 A CA 0.994 52.975 52.037 -0.093 0.000 0.679 354 A CB -0.347 18.579 19.000 -0.123 0.000 0.795 354 A HN 0.446 nan 8.150 nan 0.000 0.458 355 L N -0.748 120.423 121.223 -0.086 0.000 2.554 355 L HA 0.226 4.566 4.340 -0.000 0.000 0.225 355 L C 0.556 177.391 176.870 -0.059 0.000 1.104 355 L CA -0.379 54.417 54.840 -0.074 0.000 0.866 355 L CB -0.289 41.719 42.059 -0.084 0.000 1.047 355 L HN 0.246 nan 8.230 nan 0.000 0.468 356 L N 0.856 122.045 121.223 -0.056 0.000 2.483 356 L HA 0.420 4.759 4.340 -0.000 0.000 0.277 356 L C -1.544 175.304 176.870 -0.037 0.000 1.248 356 L CA -0.082 54.731 54.840 -0.045 0.000 0.825 356 L CB -0.169 41.865 42.059 -0.042 0.000 1.096 356 L HN -0.023 nan 8.230 nan 0.000 0.512 357 P HA 0.000 nan 4.420 nan 0.000 0.216 357 P CA 0.000 nan 63.100 nan 0.000 0.800 357 P CB 0.000 nan 31.700 nan 0.000 0.726