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 1r56_1_D DATA FIRST_RESID 2 DATA SEQUENCE AVKAARYGKD NVRVYKVHKD EKTGVQTVYE MTVCVLLEGE IETSYTKADN DATA SEQUENCE SVIVATDSIK NTIYITAKQN PVTPPELFGS ILGTHFIEKY NHIHAAHVNI DATA SEQUENCE VCHRWTRMDI DGKPHPHSFI RDSEEKRNVQ VDVVEGKGID IKSSLSGLTV DATA SEQUENCE LKSTNSQFWG FLRDEYTTLK ETWDRILSTD VDATWQWKNF SGLQEVRSHV DATA SEQUENCE PKFDATWATA REVTLKTFAE DNSASVQATM YKMAEQILAR QQLIETVEYS DATA SEQUENCE LPNKHYFEID LSWHKGLQNT GKNAEVFAPQ SDPNGLIKCT VGRS 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.559 177.584 -0.041 0.000 1.274 2 A CA 0.000 52.025 52.037 -0.021 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 3 V N 3.851 123.730 119.914 -0.057 0.000 2.421 3 V HA 0.093 4.213 4.120 -0.000 0.000 0.271 3 V C 1.261 177.300 176.094 -0.093 0.000 1.031 3 V CA 0.483 62.716 62.300 -0.112 0.000 1.032 3 V CB 0.573 32.303 31.823 -0.155 0.000 1.009 3 V HN 0.910 nan 8.190 nan 0.000 0.477 4 K N 3.317 123.662 120.400 -0.092 0.000 2.262 4 K HA 0.392 4.711 4.320 -0.000 0.000 0.200 4 K C 0.522 177.077 176.600 -0.075 0.000 1.049 4 K CA 0.925 57.171 56.287 -0.068 0.000 0.979 4 K CB 0.690 33.158 32.500 -0.054 0.000 0.773 4 K HN 0.758 nan 8.250 nan 0.000 0.474 5 A N 0.355 123.108 122.820 -0.111 0.000 2.594 5 A HA 0.708 5.027 4.320 -0.000 0.000 0.296 5 A C -1.823 175.660 177.584 -0.168 0.000 1.061 5 A CA -0.445 51.531 52.037 -0.101 0.000 0.689 5 A CB 1.722 20.678 19.000 -0.072 0.000 1.280 5 A HN 0.059 nan 8.150 nan 0.000 0.406 6 A N 0.928 123.671 122.820 -0.128 0.000 2.566 6 A HA 0.915 5.235 4.320 -0.000 0.000 0.297 6 A C -0.700 176.913 177.584 0.049 0.000 1.059 6 A CA -0.383 51.566 52.037 -0.147 0.000 0.691 6 A CB 1.455 20.226 19.000 -0.382 0.000 1.282 6 A HN 1.146 nan 8.150 nan 0.000 0.401 7 R N 0.095 120.683 120.500 0.147 0.000 2.629 7 R HA 0.663 5.003 4.340 -0.000 0.000 0.266 7 R C -1.971 174.496 176.300 0.278 0.000 1.051 7 R CA -0.555 55.645 56.100 0.167 0.000 0.895 7 R CB 2.117 32.452 30.300 0.057 0.000 1.246 7 R HN 1.353 nan 8.270 nan 0.000 0.459 8 Y N -0.840 119.472 120.300 0.021 0.000 2.702 8 Y HA 0.801 5.351 4.550 -0.000 0.000 0.336 8 Y C -0.613 175.248 175.900 -0.064 0.000 1.203 8 Y CA -0.223 57.876 58.100 -0.003 0.000 1.072 8 Y CB 0.952 39.418 38.460 0.011 0.000 1.327 8 Y HN 0.793 nan 8.280 nan 0.000 0.456 9 G N 1.460 110.068 108.800 -0.319 0.000 2.452 9 G HA2 0.413 4.373 3.960 -0.000 0.000 0.224 9 G HA3 0.413 4.373 3.960 -0.000 0.000 0.224 9 G C -2.121 172.677 174.900 -0.170 0.000 1.208 9 G CA -0.984 43.853 45.100 -0.438 0.000 0.946 9 G HN 0.588 nan 8.290 nan 0.000 0.481 10 K N 0.770 121.063 120.400 -0.179 0.000 2.413 10 K HA 0.633 4.953 4.320 -0.000 0.000 0.257 10 K C -1.535 175.015 176.600 -0.084 0.000 0.946 10 K CA -0.652 55.575 56.287 -0.101 0.000 0.823 10 K CB 1.680 34.118 32.500 -0.103 0.000 1.109 10 K HN 0.524 nan 8.250 nan 0.000 0.427 11 D N 1.883 122.255 120.400 -0.046 0.000 2.340 11 D HA 0.387 5.027 4.640 -0.000 0.000 0.243 11 D C -0.501 175.794 176.300 -0.009 0.000 0.988 11 D CA 0.107 54.089 54.000 -0.030 0.000 0.959 11 D CB 0.783 41.571 40.800 -0.020 0.000 1.226 11 D HN 0.623 nan 8.370 nan 0.000 0.509 12 N N 0.611 119.315 118.700 0.007 0.000 2.740 12 N HA -0.132 4.608 4.740 -0.000 0.000 0.248 12 N C -0.913 174.623 175.510 0.042 0.000 1.062 12 N CA 0.374 53.442 53.050 0.030 0.000 0.704 12 N CB -1.217 37.287 38.487 0.029 0.000 0.968 12 N HN 0.147 nan 8.380 nan 0.000 0.547 13 V N 1.380 121.315 119.914 0.034 0.000 2.368 13 V HA 0.171 4.290 4.120 -0.000 0.000 0.266 13 V C 1.151 177.314 176.094 0.115 0.000 1.045 13 V CA -0.347 61.980 62.300 0.045 0.000 0.899 13 V CB 0.935 32.726 31.823 -0.052 0.000 1.006 13 V HN 0.078 nan 8.190 nan 0.000 0.470 14 R N 3.644 124.241 120.500 0.161 0.000 2.298 14 R HA 0.589 4.928 4.340 -0.000 0.000 0.310 14 R C -0.981 175.481 176.300 0.271 0.000 1.068 14 R CA -0.331 55.885 56.100 0.193 0.000 0.957 14 R CB 1.301 31.689 30.300 0.145 0.000 1.003 14 R HN 0.519 nan 8.270 nan 0.000 0.454 15 V N 4.110 124.184 119.914 0.266 0.000 2.638 15 V HA 0.263 4.382 4.120 -0.000 0.000 0.306 15 V C -1.208 175.052 176.094 0.277 0.000 1.052 15 V CA -1.002 61.471 62.300 0.290 0.000 0.885 15 V CB 1.559 33.535 31.823 0.254 0.000 0.999 15 V HN 0.655 nan 8.190 nan 0.000 0.424 16 Y N 4.097 124.457 120.300 0.099 0.000 2.409 16 Y HA 0.734 5.284 4.550 -0.000 0.000 0.343 16 Y C -0.441 175.481 175.900 0.036 0.000 0.973 16 Y CA -0.791 57.351 58.100 0.071 0.000 1.064 16 Y CB 1.705 40.183 38.460 0.030 0.000 1.207 16 Y HN 0.633 nan 8.280 nan 0.000 0.452 17 K N 5.761 125.929 120.400 -0.386 0.000 2.443 17 K HA 0.641 4.961 4.320 -0.000 0.000 0.252 17 K C -2.173 174.159 176.600 -0.445 0.000 0.933 17 K CA -0.910 55.220 56.287 -0.262 0.000 0.792 17 K CB 2.137 34.572 32.500 -0.108 0.000 1.185 17 K HN 0.618 nan 8.250 nan 0.000 0.425 18 V N 4.383 124.148 119.914 -0.249 0.000 2.547 18 V HA 0.349 4.469 4.120 -0.000 0.000 0.299 18 V C -1.039 175.077 176.094 0.036 0.000 1.040 18 V CA -0.432 61.770 62.300 -0.163 0.000 0.913 18 V CB 1.462 33.280 31.823 -0.009 0.000 0.992 18 V HN 0.857 nan 8.190 nan 0.000 0.449 19 H N 6.310 125.377 119.070 -0.006 0.000 2.551 19 H HA 0.479 5.034 4.556 -0.000 0.000 0.321 19 H C -0.910 174.441 175.328 0.039 0.000 1.028 19 H CA -0.757 55.318 56.048 0.045 0.000 1.215 19 H CB 1.270 31.104 29.762 0.120 0.000 1.414 19 H HN 0.638 nan 8.280 nan 0.000 0.480 20 K N 4.424 124.544 120.400 -0.467 0.000 2.265 20 K HA 0.118 4.438 4.320 -0.000 0.000 0.267 20 K C -0.540 175.797 176.600 -0.438 0.000 0.994 20 K CA -0.756 55.341 56.287 -0.317 0.000 0.860 20 K CB 1.731 34.140 32.500 -0.152 0.000 1.099 20 K HN 0.539 nan 8.250 nan 0.000 0.448 21 D N 2.986 123.245 120.400 -0.234 0.000 2.316 21 D HA 0.006 4.646 4.640 -0.000 0.000 0.245 21 D C 0.296 176.563 176.300 -0.056 0.000 1.171 21 D CA 0.177 54.116 54.000 -0.102 0.000 0.856 21 D CB 1.091 41.912 40.800 0.036 0.000 1.090 21 D HN 0.543 nan 8.370 nan 0.000 0.476 22 E N 2.602 122.771 120.200 -0.051 0.000 2.208 22 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 22 E C 1.282 177.875 176.600 -0.012 0.000 0.988 22 E CA 1.092 57.473 56.400 -0.031 0.000 0.828 22 E CB 0.491 30.173 29.700 -0.030 0.000 0.763 22 E HN 0.429 nan 8.360 nan 0.000 0.478 23 K N -0.335 120.064 120.400 -0.001 0.000 1.979 23 K HA -0.088 4.232 4.320 -0.000 0.000 0.213 23 K C 2.370 178.974 176.600 0.005 0.000 1.036 23 K CA 1.815 58.105 56.287 0.005 0.000 0.954 23 K CB -0.739 31.769 32.500 0.013 0.000 0.743 23 K HN 0.132 nan 8.250 nan 0.000 0.443 24 T N -1.729 112.833 114.554 0.013 0.000 2.849 24 T HA -0.046 4.304 4.350 -0.000 0.000 0.270 24 T C 1.652 176.357 174.700 0.007 0.000 1.066 24 T CA 1.136 63.243 62.100 0.012 0.000 1.130 24 T CB -0.694 68.188 68.868 0.023 0.000 0.864 24 T HN 0.536 nan 8.240 nan 0.000 0.481 25 G N 0.382 109.188 108.800 0.009 0.000 2.148 25 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.254 25 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.254 25 G C 0.097 175.019 174.900 0.036 0.000 0.981 25 G CA 0.045 45.153 45.100 0.012 0.000 0.670 25 G HN 0.764 nan 8.290 nan 0.000 0.528 26 V N 1.152 121.091 119.914 0.041 0.000 2.583 26 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 26 V C 0.625 176.784 176.094 0.108 0.000 1.051 26 V CA 0.049 62.392 62.300 0.071 0.000 1.010 26 V CB 1.538 33.403 31.823 0.070 0.000 0.988 26 V HN 0.472 nan 8.190 nan 0.000 0.478 27 Q N 2.322 122.225 119.800 0.173 0.000 2.306 27 Q HA 0.621 4.961 4.340 -0.000 0.000 0.265 27 Q C -0.954 175.229 176.000 0.304 0.000 1.022 27 Q CA -0.645 55.284 55.803 0.209 0.000 0.853 27 Q CB 2.379 31.249 28.738 0.220 0.000 1.327 27 Q HN 0.727 nan 8.270 nan 0.000 0.449 28 T N 1.006 115.656 114.554 0.159 0.000 2.881 28 T HA 0.490 4.840 4.350 -0.000 0.000 0.290 28 T C -0.588 173.836 174.700 -0.460 0.000 1.000 28 T CA -0.698 61.355 62.100 -0.077 0.000 0.978 28 T CB 1.344 70.197 68.868 -0.025 0.000 0.997 28 T HN 0.464 nan 8.240 nan 0.000 0.443 29 V N 0.956 120.329 119.914 -0.902 0.000 2.628 29 V HA 0.826 4.946 4.120 -0.000 0.000 0.306 29 V C -1.786 173.681 176.094 -1.045 0.000 1.045 29 V CA -1.042 60.675 62.300 -0.971 0.000 0.905 29 V CB 1.237 32.447 31.823 -1.020 0.000 0.997 29 V HN 0.814 nan 8.190 nan 0.000 0.436 30 Y N 1.439 121.480 120.300 -0.432 0.000 2.361 30 Y HA 0.719 5.268 4.550 -0.001 0.000 0.337 30 Y C 0.067 175.894 175.900 -0.123 0.000 0.965 30 Y CA -0.548 57.421 58.100 -0.218 0.000 1.091 30 Y CB 2.055 40.373 38.460 -0.236 0.000 1.182 30 Y HN 0.834 nan 8.280 nan 0.000 0.450 31 E N 5.471 125.808 120.200 0.228 0.000 2.234 31 E HA 0.702 5.052 4.350 -0.000 0.000 0.266 31 E C -1.116 175.672 176.600 0.314 0.000 0.877 31 E CA -0.781 55.818 56.400 0.331 0.000 0.758 31 E CB 1.487 31.530 29.700 0.571 0.000 1.170 31 E HN 0.781 nan 8.360 nan 0.000 0.415 32 M N 0.455 120.235 119.600 0.300 0.000 2.813 32 M HA 0.577 5.056 4.480 -0.000 0.000 0.270 32 M C -1.455 175.008 176.300 0.273 0.000 1.267 32 M CA -0.772 54.654 55.300 0.210 0.000 0.822 32 M CB 2.298 34.938 32.600 0.067 0.000 1.671 32 M HN 0.199 nan 8.290 nan 0.000 0.468 33 T N 1.483 116.152 114.554 0.191 0.000 2.841 33 T HA 0.671 5.021 4.350 -0.000 0.000 0.285 33 T C -0.828 173.924 174.700 0.086 0.000 0.991 33 T CA -0.508 61.698 62.100 0.177 0.000 0.966 33 T CB 1.839 70.838 68.868 0.219 0.000 0.962 33 T HN 0.500 nan 8.240 nan 0.000 0.438 34 V N 2.019 121.979 119.914 0.077 0.000 2.715 34 V HA 0.684 4.804 4.120 -0.000 0.000 0.310 34 V C -0.170 175.922 176.094 -0.003 0.000 1.054 34 V CA -0.884 61.440 62.300 0.040 0.000 0.928 34 V CB 1.848 33.711 31.823 0.067 0.000 1.007 34 V HN 1.078 nan 8.190 nan 0.000 0.437 35 C N 4.621 123.903 119.300 -0.030 0.000 2.482 35 C HA 0.839 5.299 4.460 -0.000 0.000 0.317 35 C C -0.742 174.194 174.990 -0.091 0.000 1.197 35 C CA -0.168 58.816 59.018 -0.057 0.000 1.432 35 C CB 0.726 28.439 27.740 -0.045 0.000 2.062 35 C HN 0.729 nan 8.230 nan 0.000 0.471 36 V N 7.486 127.314 119.914 -0.144 0.000 2.407 36 V HA 0.496 4.615 4.120 -0.000 0.000 0.291 36 V C -0.365 175.557 176.094 -0.287 0.000 1.018 36 V CA -0.269 61.897 62.300 -0.224 0.000 0.842 36 V CB 1.466 33.100 31.823 -0.314 0.000 0.996 36 V HN 0.805 nan 8.190 nan 0.000 0.426 37 L N 5.875 126.962 121.223 -0.227 0.000 2.329 37 L HA 0.656 4.996 4.340 -0.000 0.000 0.279 37 L C -0.651 176.065 176.870 -0.257 0.000 1.014 37 L CA -0.505 54.197 54.840 -0.229 0.000 0.814 37 L CB 1.919 43.938 42.059 -0.066 0.000 1.257 37 L HN 0.384 nan 8.230 nan 0.000 0.424 38 L N 2.242 123.230 121.223 -0.393 0.000 2.330 38 L HA 0.602 4.942 4.340 -0.000 0.000 0.271 38 L C -0.421 176.391 176.870 -0.097 0.000 1.013 38 L CA -0.666 53.974 54.840 -0.332 0.000 0.816 38 L CB 2.168 43.918 42.059 -0.514 0.000 1.287 38 L HN 0.625 nan 8.230 nan 0.000 0.435 39 E N 0.114 120.289 120.200 -0.041 0.000 2.336 39 E HA 0.811 5.161 4.350 -0.000 0.000 0.267 39 E C -0.439 176.171 176.600 0.017 0.000 0.906 39 E CA -0.720 55.714 56.400 0.057 0.000 0.781 39 E CB 2.854 32.624 29.700 0.117 0.000 1.261 39 E HN 0.766 nan 8.360 nan 0.000 0.436 40 G N 0.630 109.477 108.800 0.078 0.000 2.404 40 G HA2 0.004 3.964 3.960 -0.000 0.000 0.253 40 G HA3 0.004 3.964 3.960 -0.000 0.000 0.253 40 G C -1.382 173.625 174.900 0.178 0.000 1.253 40 G CA -0.924 44.238 45.100 0.103 0.000 0.917 40 G HN 0.425 nan 8.290 nan 0.000 0.480 41 E N 1.216 121.546 120.200 0.218 0.000 1.852 41 E HA 0.325 4.674 4.350 -0.000 0.000 0.276 41 E C 0.869 177.608 176.600 0.231 0.000 1.163 41 E CA 0.061 56.600 56.400 0.231 0.000 1.117 41 E CB -0.180 29.681 29.700 0.269 0.000 1.124 41 E HN 0.502 nan 8.360 nan 0.000 0.458 42 I N -1.961 118.725 120.570 0.194 0.000 4.225 42 I HA 0.201 4.371 4.170 -0.000 0.000 0.327 42 I C 1.461 177.710 176.117 0.219 0.000 1.422 42 I CA -0.366 61.052 61.300 0.196 0.000 1.150 42 I CB 0.347 38.469 38.000 0.204 0.000 1.192 42 I HN 0.155 nan 8.210 nan 0.000 0.440 43 E N 2.433 122.743 120.200 0.184 0.000 2.097 43 E HA -0.246 4.103 4.350 -0.000 0.000 0.196 43 E C 1.970 178.687 176.600 0.196 0.000 1.000 43 E CA 2.809 59.318 56.400 0.182 0.000 0.804 43 E CB 0.063 29.816 29.700 0.089 0.000 0.740 43 E HN 0.726 nan 8.360 nan 0.000 0.454 44 T N -1.282 113.340 114.554 0.113 0.000 3.007 44 T HA -0.106 4.244 4.350 -0.000 0.000 0.270 44 T C 1.938 176.652 174.700 0.024 0.000 1.107 44 T CA 1.262 63.400 62.100 0.063 0.000 1.118 44 T CB -0.293 68.595 68.868 0.033 0.000 0.889 44 T HN 0.132 nan 8.240 nan 0.000 0.506 45 S N 0.134 115.832 115.700 -0.003 0.000 2.428 45 S HA -0.027 4.443 4.470 -0.000 0.000 0.230 45 S C 1.655 176.111 174.600 -0.241 0.000 1.014 45 S CA 0.180 58.278 58.200 -0.169 0.000 0.957 45 S CB -0.741 62.269 63.200 -0.316 0.000 0.784 45 S HN 0.618 nan 8.310 nan 0.000 0.499 46 Y N 2.639 122.906 120.300 -0.054 0.000 2.262 46 Y HA 0.066 4.616 4.550 -0.000 0.000 0.295 46 Y C 3.297 179.179 175.900 -0.030 0.000 1.121 46 Y CA 1.279 59.353 58.100 -0.042 0.000 1.144 46 Y CB -0.878 37.563 38.460 -0.032 0.000 1.043 46 Y HN 0.491 nan 8.280 nan 0.000 0.528 47 T N -2.430 112.213 114.554 0.147 0.000 2.978 47 T HA 0.011 4.360 4.350 -0.000 0.000 0.262 47 T C 1.182 175.902 174.700 0.034 0.000 1.063 47 T CA 0.760 62.907 62.100 0.078 0.000 1.140 47 T CB 0.032 68.939 68.868 0.066 0.000 0.886 47 T HN 0.057 nan 8.240 nan 0.000 0.470 48 K N 0.905 121.316 120.400 0.019 0.000 2.447 48 K HA 0.642 4.962 4.320 -0.000 0.000 0.205 48 K C 0.933 177.520 176.600 -0.022 0.000 1.059 48 K CA 0.334 56.620 56.287 -0.001 0.000 1.065 48 K CB 0.603 33.103 32.500 0.001 0.000 0.885 48 K HN 0.430 nan 8.250 nan 0.000 0.545 49 A N 2.348 125.143 122.820 -0.041 0.000 2.822 49 A HA -0.202 4.117 4.320 -0.000 0.000 0.287 49 A C -0.209 177.334 177.584 -0.068 0.000 1.479 49 A CA 1.171 53.167 52.037 -0.068 0.000 0.779 49 A CB -2.164 16.806 19.000 -0.050 0.000 1.022 49 A HN 0.436 nan 8.150 nan 0.000 0.532 50 D N -0.186 120.175 120.400 -0.065 0.000 2.396 50 D HA 0.444 5.083 4.640 -0.000 0.000 0.225 50 D C 0.862 177.112 176.300 -0.084 0.000 1.121 50 D CA -0.432 53.533 54.000 -0.058 0.000 0.853 50 D CB 0.237 41.015 40.800 -0.036 0.000 1.043 50 D HN 0.202 nan 8.370 nan 0.000 0.500 51 N N 1.569 120.217 118.700 -0.086 0.000 2.467 51 N HA -0.107 4.632 4.740 -0.000 0.000 0.184 51 N C 1.606 177.068 175.510 -0.079 0.000 1.106 51 N CA 0.369 53.359 53.050 -0.100 0.000 0.892 51 N CB 0.128 38.561 38.487 -0.090 0.000 0.969 51 N HN 0.514 nan 8.380 nan 0.000 0.454 52 S N -0.033 115.626 115.700 -0.067 0.000 2.419 52 S HA -0.128 4.342 4.470 -0.000 0.000 0.235 52 S C 1.907 176.448 174.600 -0.099 0.000 1.019 52 S CA 1.283 59.442 58.200 -0.068 0.000 0.982 52 S CB -0.747 62.416 63.200 -0.062 0.000 0.789 52 S HN 0.178 nan 8.310 nan 0.000 0.490 53 V N -1.402 118.456 119.914 -0.093 0.000 3.623 53 V HA 0.398 4.517 4.120 -0.000 0.000 0.271 53 V C 0.547 176.688 176.094 0.078 0.000 1.248 53 V CA -0.287 61.959 62.300 -0.091 0.000 1.156 53 V CB -0.937 30.892 31.823 0.010 0.000 0.870 53 V HN 0.356 nan 8.190 nan 0.000 0.453 54 I N 2.194 122.752 120.570 -0.020 0.000 2.301 54 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 54 I C 0.079 176.206 176.117 0.018 0.000 1.046 54 I CA -0.347 60.928 61.300 -0.042 0.000 1.282 54 I CB 1.113 39.008 38.000 -0.177 0.000 1.409 54 I HN -0.009 nan 8.210 nan 0.000 0.484 55 V N 6.888 126.843 119.914 0.069 0.000 2.427 55 V HA 0.245 4.364 4.120 -0.000 0.000 0.268 55 V C 1.027 177.180 176.094 0.098 0.000 1.046 55 V CA -0.725 61.563 62.300 -0.019 0.000 0.970 55 V CB 0.918 32.592 31.823 -0.248 0.000 1.001 55 V HN 0.860 nan 8.190 nan 0.000 0.476 56 A N 4.199 127.059 122.820 0.068 0.000 2.540 56 A HA 0.260 4.580 4.320 -0.000 0.000 0.239 56 A C 1.731 179.370 177.584 0.091 0.000 1.061 56 A CA 0.473 52.557 52.037 0.079 0.000 0.758 56 A CB 0.131 19.160 19.000 0.048 0.000 0.991 56 A HN 1.153 nan 8.150 nan 0.000 0.502 57 T N -0.121 114.501 114.554 0.114 0.000 2.778 57 T HA -0.256 4.094 4.350 -0.000 0.000 0.269 57 T C 1.217 175.929 174.700 0.021 0.000 1.050 57 T CA 2.190 64.321 62.100 0.052 0.000 1.137 57 T CB -0.491 68.418 68.868 0.068 0.000 0.860 57 T HN 0.745 nan 8.240 nan 0.000 0.468 58 D N 0.934 121.356 120.400 0.038 0.000 2.144 58 D HA -0.064 4.576 4.640 -0.000 0.000 0.200 58 D C 2.138 178.467 176.300 0.048 0.000 0.978 58 D CA 1.224 55.247 54.000 0.038 0.000 0.833 58 D CB -0.243 40.583 40.800 0.044 0.000 0.961 58 D HN 0.469 nan 8.370 nan 0.000 0.470 59 S N -0.574 115.165 115.700 0.065 0.000 2.461 59 S HA 0.008 4.477 4.470 -0.000 0.000 0.228 59 S C 1.983 176.658 174.600 0.124 0.000 1.005 59 S CA 0.218 58.477 58.200 0.098 0.000 0.942 59 S CB -0.097 63.175 63.200 0.121 0.000 0.776 59 S HN 0.353 nan 8.310 nan 0.000 0.514 60 I N 1.667 122.289 120.570 0.086 0.000 2.252 60 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 60 I C 2.559 178.690 176.117 0.022 0.000 1.102 60 I CA 1.141 62.495 61.300 0.090 0.000 1.385 60 I CB -0.281 37.647 38.000 -0.120 0.000 1.064 60 I HN 0.254 nan 8.210 nan 0.000 0.414 61 K N 1.212 121.579 120.400 -0.056 0.000 2.032 61 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 61 K C 1.971 178.427 176.600 -0.241 0.000 1.048 61 K CA 1.819 57.994 56.287 -0.186 0.000 0.927 61 K CB -0.061 32.370 32.500 -0.117 0.000 0.712 61 K HN 0.223 nan 8.250 nan 0.000 0.441 62 N N 0.321 119.001 118.700 -0.033 0.000 2.069 62 N HA -0.134 4.606 4.740 -0.000 0.000 0.191 62 N C 1.704 177.231 175.510 0.028 0.000 1.031 62 N CA 1.970 55.060 53.050 0.066 0.000 0.852 62 N CB -0.832 37.714 38.487 0.098 0.000 1.018 62 N HN 0.268 nan 8.380 nan 0.000 0.423 63 T N 1.412 115.973 114.554 0.012 0.000 2.833 63 T HA -0.018 4.331 4.350 -0.000 0.000 0.269 63 T C 2.092 176.738 174.700 -0.090 0.000 1.054 63 T CA 0.667 62.728 62.100 -0.065 0.000 1.135 63 T CB -0.169 68.672 68.868 -0.045 0.000 0.869 63 T HN 0.192 nan 8.240 nan 0.000 0.466 64 I N -0.152 120.369 120.570 -0.081 0.000 2.252 64 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 64 I C 2.118 178.259 176.117 0.040 0.000 1.102 64 I CA 1.322 62.585 61.300 -0.062 0.000 1.385 64 I CB -0.343 37.572 38.000 -0.142 0.000 1.064 64 I HN 0.192 nan 8.210 nan 0.000 0.414 65 Y N 0.371 120.716 120.300 0.075 0.000 2.200 65 Y HA -0.147 4.403 4.550 -0.001 0.000 0.290 65 Y C 2.387 178.310 175.900 0.039 0.000 1.137 65 Y CA 0.909 59.047 58.100 0.063 0.000 1.163 65 Y CB -0.841 37.649 38.460 0.049 0.000 0.988 65 Y HN 0.075 nan 8.280 nan 0.000 0.518 66 I N -0.648 120.024 120.570 0.169 0.000 2.226 66 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 66 I C 2.155 178.295 176.117 0.037 0.000 1.100 66 I CA 1.843 63.186 61.300 0.072 0.000 1.374 66 I CB -0.565 37.444 38.000 0.015 0.000 1.057 66 I HN 0.194 nan 8.210 nan 0.000 0.413 67 T N 0.644 115.206 114.554 0.013 0.000 2.746 67 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 67 T C 2.014 176.829 174.700 0.192 0.000 1.039 67 T CA 1.417 63.540 62.100 0.038 0.000 1.142 67 T CB -0.342 68.489 68.868 -0.062 0.000 0.866 67 T HN 0.479 nan 8.240 nan 0.000 0.444 68 A N 1.495 124.458 122.820 0.238 0.000 1.972 68 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 68 A C 2.189 179.776 177.584 0.006 0.000 1.169 68 A CA 1.713 53.784 52.037 0.057 0.000 0.635 68 A CB -0.439 18.564 19.000 0.005 0.000 0.810 68 A HN 0.298 nan 8.150 nan 0.000 0.446 69 K N 0.270 120.701 120.400 0.052 0.000 2.097 69 K HA -0.097 4.222 4.320 -0.000 0.000 0.206 69 K C 1.747 178.354 176.600 0.012 0.000 1.049 69 K CA 1.919 58.223 56.287 0.028 0.000 0.933 69 K CB -0.305 32.219 32.500 0.040 0.000 0.717 69 K HN 0.621 nan 8.250 nan 0.000 0.442 70 Q N -0.281 119.529 119.800 0.018 0.000 2.282 70 Q HA 0.194 4.534 4.340 -0.000 0.000 0.206 70 Q C -0.382 175.621 176.000 0.006 0.000 0.878 70 Q CA -0.081 55.727 55.803 0.008 0.000 0.944 70 Q CB 0.604 29.343 28.738 0.002 0.000 1.100 70 Q HN 0.233 nan 8.270 nan 0.000 0.509 71 N N 0.864 119.572 118.700 0.013 0.000 2.455 71 N HA 0.361 5.100 4.740 -0.000 0.000 0.278 71 N C -2.927 172.553 175.510 -0.050 0.000 1.291 71 N CA -1.531 51.527 53.050 0.012 0.000 0.780 71 N CB 2.125 40.662 38.487 0.082 0.000 1.520 71 N HN -0.171 nan 8.380 nan 0.000 0.486 72 P HA 0.046 nan 4.420 nan 0.000 0.271 72 P C 0.851 177.993 177.300 -0.263 0.000 1.216 72 P CA -0.161 62.834 63.100 -0.175 0.000 0.771 72 P CB 0.859 32.478 31.700 -0.134 0.000 0.864 73 V N -0.245 119.358 119.914 -0.519 0.000 3.650 73 V HA 0.181 4.300 4.120 -0.000 0.000 0.271 73 V C 0.768 176.537 176.094 -0.541 0.000 1.281 73 V CA 0.641 62.457 62.300 -0.807 0.000 1.120 73 V CB -0.399 30.875 31.823 -0.915 0.000 0.856 73 V HN 0.573 nan 8.190 nan 0.000 0.443 74 T N 2.401 116.669 114.554 -0.476 0.000 2.876 74 T HA 0.610 4.959 4.350 -0.000 0.000 0.289 74 T C -2.932 171.654 174.700 -0.190 0.000 1.014 74 T CA -1.507 60.383 62.100 -0.350 0.000 0.986 74 T CB 2.056 70.633 68.868 -0.485 0.000 1.021 74 T HN 0.338 nan 8.240 nan 0.000 0.458 75 P HA 0.315 nan 4.420 nan 0.000 0.274 75 P C -2.195 175.017 177.300 -0.147 0.000 1.231 75 P CA -1.488 61.548 63.100 -0.107 0.000 0.790 75 P CB 0.599 32.299 31.700 0.000 0.000 0.951 76 P HA -0.170 nan 4.420 nan 0.000 0.218 76 P C 1.194 178.403 177.300 -0.152 0.000 1.148 76 P CA 1.415 64.465 63.100 -0.083 0.000 0.822 76 P CB 0.203 31.845 31.700 -0.097 0.000 0.784 77 E N -0.353 119.645 120.200 -0.337 0.000 2.085 77 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 77 E C 1.993 178.276 176.600 -0.529 0.000 0.994 77 E CA 0.918 56.957 56.400 -0.601 0.000 0.801 77 E CB -0.967 27.915 29.700 -1.364 0.000 0.743 77 E HN 0.143 nan 8.360 nan 0.000 0.453 78 L N -0.332 120.647 121.223 -0.408 0.000 2.023 78 L HA -0.072 4.267 4.340 -0.000 0.000 0.205 78 L C 2.020 178.820 176.870 -0.116 0.000 1.073 78 L CA 1.541 56.244 54.840 -0.228 0.000 0.745 78 L CB -0.664 41.328 42.059 -0.111 0.000 0.900 78 L HN 0.138 nan 8.230 nan 0.000 0.435 79 F N 0.882 120.708 119.950 -0.205 0.000 2.091 79 F HA -0.152 4.375 4.527 -0.001 0.000 0.299 79 F C 2.170 177.890 175.800 -0.134 0.000 1.103 79 F CA 1.748 59.653 58.000 -0.159 0.000 1.228 79 F CB -1.134 37.769 39.000 -0.161 0.000 0.984 79 F HN 0.163 nan 8.300 nan 0.000 0.477 80 G N -1.321 107.308 108.800 -0.287 0.000 2.422 80 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 80 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 80 G C 1.817 176.555 174.900 -0.270 0.000 1.140 80 G CA 0.901 45.800 45.100 -0.336 0.000 0.775 80 G HN 0.441 nan 8.290 nan 0.000 0.545 81 S N 0.301 115.864 115.700 -0.228 0.000 2.387 81 S HA 0.019 4.488 4.470 -0.000 0.000 0.226 81 S C 2.256 176.764 174.600 -0.154 0.000 1.026 81 S CA 0.566 58.663 58.200 -0.171 0.000 0.972 81 S CB -0.141 62.951 63.200 -0.181 0.000 0.814 81 S HN 0.386 nan 8.310 nan 0.000 0.477 82 I N 0.949 121.410 120.570 -0.183 0.000 2.142 82 I HA -0.172 3.997 4.170 -0.000 0.000 0.240 82 I C 2.292 178.300 176.117 -0.182 0.000 1.078 82 I CA 0.831 62.039 61.300 -0.154 0.000 1.343 82 I CB -0.332 37.598 38.000 -0.117 0.000 1.046 82 I HN 0.232 nan 8.210 nan 0.000 0.405 83 L N 1.215 122.240 121.223 -0.329 0.000 2.012 83 L HA -0.141 4.198 4.340 -0.000 0.000 0.210 83 L C 2.357 179.223 176.870 -0.007 0.000 1.073 83 L CA 2.297 56.976 54.840 -0.268 0.000 0.748 83 L CB -1.379 40.395 42.059 -0.475 0.000 0.891 83 L HN 0.238 nan 8.230 nan 0.000 0.431 84 G N -2.423 106.354 108.800 -0.038 0.000 2.402 84 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 84 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 84 G C 1.450 176.389 174.900 0.064 0.000 1.162 84 G CA 1.117 46.245 45.100 0.046 0.000 0.777 84 G HN 0.422 nan 8.290 nan 0.000 0.539 85 T N 0.030 114.580 114.554 -0.007 0.000 2.788 85 T HA -0.158 4.191 4.350 -0.000 0.000 0.268 85 T C 2.008 176.686 174.700 -0.037 0.000 1.044 85 T CA 1.646 63.733 62.100 -0.022 0.000 1.139 85 T CB -0.383 68.460 68.868 -0.042 0.000 0.867 85 T HN 0.663 nan 8.240 nan 0.000 0.454 86 H N 0.366 119.335 119.070 -0.168 0.000 2.353 86 H HA -0.102 4.454 4.556 -0.001 0.000 0.298 86 H C 1.786 176.929 175.328 -0.308 0.000 1.103 86 H CA 1.710 57.586 56.048 -0.288 0.000 1.293 86 H CB -0.464 29.036 29.762 -0.436 0.000 1.372 86 H HN 0.360 nan 8.280 nan 0.000 0.501 87 F N 0.579 120.522 119.950 -0.012 0.000 2.186 87 F HA -0.069 4.457 4.527 -0.001 0.000 0.299 87 F C 2.473 178.235 175.800 -0.063 0.000 1.090 87 F CA 1.316 59.325 58.000 0.015 0.000 1.307 87 F CB -0.398 38.645 39.000 0.073 0.000 1.019 87 F HN 0.351 nan 8.300 nan 0.000 0.489 88 I N -2.275 118.334 120.570 0.065 0.000 2.676 88 I HA -0.072 4.098 4.170 -0.000 0.000 0.259 88 I C 1.684 177.764 176.117 -0.062 0.000 1.194 88 I CA 1.460 62.756 61.300 -0.007 0.000 1.473 88 I CB -0.478 37.519 38.000 -0.005 0.000 1.096 88 I HN 0.125 nan 8.210 nan 0.000 0.443 89 E N 1.315 121.433 120.200 -0.137 0.000 2.216 89 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 89 E C 1.852 178.287 176.600 -0.275 0.000 0.973 89 E CA 0.380 56.676 56.400 -0.173 0.000 0.851 89 E CB 0.186 29.782 29.700 -0.174 0.000 0.804 89 E HN 0.355 nan 8.360 nan 0.000 0.477 90 K N 0.166 120.275 120.400 -0.485 0.000 2.116 90 K HA -0.037 4.282 4.320 -0.000 0.000 0.203 90 K C -0.278 175.905 176.600 -0.694 0.000 1.052 90 K CA 0.886 56.745 56.287 -0.715 0.000 0.952 90 K CB 0.148 31.933 32.500 -1.191 0.000 0.729 90 K HN -0.052 nan 8.250 nan 0.000 0.446 91 Y N 0.684 120.924 120.300 -0.100 0.000 2.341 91 Y HA 0.323 4.873 4.550 -0.000 0.000 0.338 91 Y C 0.694 176.583 175.900 -0.018 0.000 0.965 91 Y CA -1.103 56.999 58.100 0.004 0.000 1.108 91 Y CB 1.551 40.029 38.460 0.030 0.000 1.180 91 Y HN -0.063 nan 8.280 nan 0.000 0.458 92 N N 1.167 119.990 118.700 0.205 0.000 2.223 92 N HA -0.179 4.561 4.740 -0.000 0.000 0.185 92 N C 1.431 177.015 175.510 0.124 0.000 1.016 92 N CA 1.303 54.441 53.050 0.145 0.000 0.863 92 N CB -0.069 38.507 38.487 0.149 0.000 0.983 92 N HN 0.782 nan 8.380 nan 0.000 0.429 93 H N -1.071 117.980 119.070 -0.031 0.000 2.551 93 H HA 0.206 4.762 4.556 -0.000 0.000 0.271 93 H C 0.028 175.131 175.328 -0.375 0.000 0.984 93 H CA -0.294 55.699 56.048 -0.091 0.000 1.164 93 H CB 0.139 29.924 29.762 0.038 0.000 1.437 93 H HN -0.048 nan 8.280 nan 0.000 0.550 94 I N 2.664 122.789 120.570 -0.742 0.000 2.336 94 I HA 0.131 4.301 4.170 -0.000 0.000 0.292 94 I C 0.395 176.105 176.117 -0.677 0.000 0.991 94 I CA -0.484 60.441 61.300 -0.626 0.000 1.227 94 I CB 1.225 39.036 38.000 -0.314 0.000 1.366 94 I HN 0.312 nan 8.210 nan 0.000 0.466 95 H N 4.192 123.237 119.070 -0.042 0.000 3.233 95 H HA 0.548 5.103 4.556 -0.000 0.000 0.263 95 H C 0.088 175.389 175.328 -0.044 0.000 1.168 95 H CA -0.038 55.997 56.048 -0.023 0.000 1.159 95 H CB 1.530 31.291 29.762 -0.002 0.000 1.593 95 H HN 0.628 nan 8.280 nan 0.000 0.580 96 A N 0.912 123.712 122.820 -0.032 0.000 2.547 96 A HA 0.747 5.067 4.320 -0.000 0.000 0.297 96 A C -1.200 176.198 177.584 -0.311 0.000 1.056 96 A CA -0.174 51.771 52.037 -0.154 0.000 0.688 96 A CB 1.509 20.451 19.000 -0.097 0.000 1.282 96 A HN 0.199 nan 8.150 nan 0.000 0.400 97 A N 2.136 124.692 122.820 -0.441 0.000 2.359 97 A HA 0.752 5.072 4.320 -0.000 0.000 0.303 97 A C -1.125 176.087 177.584 -0.620 0.000 1.066 97 A CA -0.546 51.234 52.037 -0.428 0.000 0.730 97 A CB 0.793 19.699 19.000 -0.156 0.000 1.211 97 A HN 0.826 nan 8.150 nan 0.000 0.439 98 H N 2.145 121.145 119.070 -0.117 0.000 2.595 98 H HA 0.442 4.998 4.556 -0.001 0.000 0.313 98 H C -1.007 174.250 175.328 -0.118 0.000 1.023 98 H CA -0.410 55.579 56.048 -0.098 0.000 1.218 98 H CB 1.367 31.075 29.762 -0.090 0.000 1.403 98 H HN 0.322 nan 8.280 nan 0.000 0.477 99 V N 3.952 123.849 119.914 -0.029 0.000 2.417 99 V HA 0.174 4.294 4.120 -0.000 0.000 0.291 99 V C 0.245 176.307 176.094 -0.053 0.000 1.024 99 V CA -0.783 61.476 62.300 -0.069 0.000 0.861 99 V CB 1.676 33.431 31.823 -0.113 0.000 0.985 99 V HN 0.658 nan 8.190 nan 0.000 0.436 100 N N 3.940 122.608 118.700 -0.052 0.000 2.372 100 N HA 0.685 5.425 4.740 -0.000 0.000 0.285 100 N C -1.252 174.232 175.510 -0.042 0.000 1.008 100 N CA -0.415 52.606 53.050 -0.048 0.000 0.880 100 N CB 1.287 39.748 38.487 -0.043 0.000 1.239 100 N HN 0.639 nan 8.380 nan 0.000 0.484 101 I N 2.851 123.391 120.570 -0.050 0.000 2.466 101 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 101 I C -0.840 175.232 176.117 -0.075 0.000 1.026 101 I CA -1.063 60.217 61.300 -0.034 0.000 1.078 101 I CB 2.010 40.011 38.000 0.001 0.000 1.249 101 I HN 0.150 nan 8.210 nan 0.000 0.429 102 V N 5.352 125.208 119.914 -0.096 0.000 2.384 102 V HA 0.306 4.426 4.120 -0.000 0.000 0.287 102 V C -0.297 175.595 176.094 -0.336 0.000 1.020 102 V CA -0.465 61.716 62.300 -0.199 0.000 0.850 102 V CB 1.474 33.185 31.823 -0.187 0.000 0.987 102 V HN 0.800 nan 8.190 nan 0.000 0.436 103 C N 4.778 123.884 119.300 -0.324 0.000 2.319 103 C HA 0.592 5.052 4.460 -0.000 0.000 0.335 103 C C 0.270 175.004 174.990 -0.426 0.000 1.274 103 C CA -0.848 57.986 59.018 -0.307 0.000 1.806 103 C CB -0.334 27.299 27.740 -0.178 0.000 2.329 103 C HN 0.891 nan 8.230 nan 0.000 0.524 104 H N 0.443 119.468 119.070 -0.075 0.000 2.483 104 H HA 0.468 5.023 4.556 -0.000 0.000 0.338 104 H C 0.119 175.300 175.328 -0.245 0.000 1.152 104 H CA -0.332 55.614 56.048 -0.171 0.000 1.264 104 H CB 0.692 30.323 29.762 -0.219 0.000 1.510 104 H HN 0.486 nan 8.280 nan 0.000 0.530 105 R N 1.778 122.164 120.500 -0.190 0.000 2.298 105 R HA 0.116 4.455 4.340 -0.000 0.000 0.310 105 R C -1.003 175.088 176.300 -0.348 0.000 1.068 105 R CA -0.013 55.978 56.100 -0.181 0.000 0.957 105 R CB 0.589 30.840 30.300 -0.082 0.000 1.003 105 R HN 0.637 nan 8.270 nan 0.000 0.454 106 W N 2.372 123.674 121.300 0.004 0.000 2.516 106 W HA 0.199 4.858 4.660 -0.001 0.000 0.293 106 W C -0.524 176.030 176.519 0.058 0.000 1.006 106 W CA -0.650 56.689 57.345 -0.011 0.000 1.483 106 W CB 1.980 31.310 29.460 -0.216 0.000 1.316 106 W HN 0.376 nan 8.180 nan 0.000 0.411 107 T N 3.031 117.817 114.554 0.386 0.000 2.771 107 T HA 0.217 4.567 4.350 -0.000 0.000 0.291 107 T C 0.280 175.220 174.700 0.400 0.000 0.954 107 T CA -0.598 61.692 62.100 0.317 0.000 1.045 107 T CB 0.758 69.747 68.868 0.202 0.000 0.917 107 T HN 0.256 nan 8.240 nan 0.000 0.484 108 R N 3.882 124.612 120.500 0.383 0.000 2.502 108 R HA 0.115 4.455 4.340 -0.000 0.000 0.292 108 R C 0.260 176.605 176.300 0.075 0.000 0.998 108 R CA 0.136 56.366 56.100 0.217 0.000 1.056 108 R CB 0.189 30.580 30.300 0.152 0.000 0.939 108 R HN 0.609 nan 8.270 nan 0.000 0.411 109 M N 2.764 122.337 119.600 -0.044 0.000 2.240 109 M HA 0.048 4.527 4.480 -0.000 0.000 0.333 109 M C -0.302 175.993 176.300 -0.009 0.000 1.110 109 M CA 0.487 55.773 55.300 -0.023 0.000 1.173 109 M CB 0.787 33.331 32.600 -0.093 0.000 1.458 109 M HN 0.504 nan 8.290 nan 0.000 0.458 110 D N 3.050 123.456 120.400 0.009 0.000 2.414 110 D HA 0.375 5.015 4.640 -0.000 0.000 0.232 110 D C -0.906 175.400 176.300 0.011 0.000 1.070 110 D CA -0.143 53.865 54.000 0.015 0.000 0.839 110 D CB 1.225 42.038 40.800 0.021 0.000 1.079 110 D HN 0.284 nan 8.370 nan 0.000 0.521 111 I N 2.470 123.052 120.570 0.020 0.000 2.354 111 I HA 0.134 4.304 4.170 -0.000 0.000 0.286 111 I C 0.063 176.189 176.117 0.015 0.000 1.007 111 I CA -0.330 60.982 61.300 0.020 0.000 1.167 111 I CB 1.212 39.241 38.000 0.049 0.000 1.320 111 I HN 0.318 nan 8.210 nan 0.000 0.458 112 D N 5.369 125.774 120.400 0.009 0.000 2.739 112 D HA -0.153 4.486 4.640 -0.000 0.000 0.240 112 D C 1.266 177.568 176.300 0.003 0.000 1.114 112 D CA 1.404 55.407 54.000 0.005 0.000 0.695 112 D CB -0.914 39.889 40.800 0.004 0.000 1.078 112 D HN 1.105 nan 8.370 nan 0.000 0.434 113 G N 0.001 108.805 108.800 0.006 0.000 2.196 113 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.268 113 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.268 113 G C 0.241 175.143 174.900 0.003 0.000 0.975 113 G CA 1.224 46.327 45.100 0.006 0.000 0.648 113 G HN 0.720 nan 8.290 nan 0.000 0.538 114 K N -0.212 120.187 120.400 -0.002 0.000 2.270 114 K HA 0.637 4.957 4.320 -0.000 0.000 0.255 114 K C -3.363 173.229 176.600 -0.014 0.000 0.936 114 K CA -2.535 53.745 56.287 -0.013 0.000 0.809 114 K CB 2.924 35.407 32.500 -0.029 0.000 1.131 114 K HN -0.045 nan 8.250 nan 0.000 0.427 115 P HA -0.024 nan 4.420 nan 0.000 0.270 115 P C -0.757 176.504 177.300 -0.064 0.000 1.242 115 P CA 0.064 63.153 63.100 -0.018 0.000 0.768 115 P CB 0.164 31.862 31.700 -0.004 0.000 0.820 116 H N 7.038 126.010 119.070 -0.163 0.000 2.848 116 H HA 0.032 4.588 4.556 -0.000 0.000 0.341 116 H C -1.202 173.950 175.328 -0.293 0.000 1.060 116 H CA -1.206 54.689 56.048 -0.255 0.000 1.444 116 H CB 0.949 30.515 29.762 -0.327 0.000 1.446 116 H HN 0.319 nan 8.280 nan 0.000 0.583 117 P HA -0.091 nan 4.420 nan 0.000 0.223 117 P C 0.382 177.651 177.300 -0.052 0.000 1.151 117 P CA 1.485 64.469 63.100 -0.194 0.000 0.787 117 P CB 0.274 31.872 31.700 -0.171 0.000 0.788 118 H N -3.649 115.415 119.070 -0.010 0.000 3.192 118 H HA 0.450 5.006 4.556 -0.000 0.000 0.247 118 H C -1.003 174.080 175.328 -0.409 0.000 1.203 118 H CA -0.388 55.582 56.048 -0.130 0.000 0.973 118 H CB -0.086 29.715 29.762 0.066 0.000 2.500 118 H HN -0.201 nan 8.280 nan 0.000 0.678 119 S N 1.128 116.344 115.700 -0.807 0.000 2.521 119 S HA 0.648 5.118 4.470 -0.000 0.000 0.295 119 S C -1.079 172.988 174.600 -0.888 0.000 1.098 119 S CA -0.474 57.314 58.200 -0.687 0.000 0.999 119 S CB 1.445 64.256 63.200 -0.649 0.000 1.034 119 S HN 0.286 nan 8.310 nan 0.000 0.483 120 F N 1.342 121.280 119.950 -0.020 0.000 2.613 120 F HA 0.686 5.213 4.527 -0.000 0.000 0.314 120 F C -0.305 175.638 175.800 0.238 0.000 1.075 120 F CA -0.979 57.084 58.000 0.104 0.000 0.945 120 F CB 1.295 40.362 39.000 0.111 0.000 1.310 120 F HN 0.417 nan 8.300 nan 0.000 0.467 121 I N 1.299 122.191 120.570 0.538 0.000 2.647 121 I HA 0.522 4.692 4.170 -0.000 0.000 0.295 121 I C -0.847 175.489 176.117 0.366 0.000 1.078 121 I CA -1.107 60.449 61.300 0.426 0.000 1.048 121 I CB 1.907 40.035 38.000 0.213 0.000 1.239 121 I HN 0.686 nan 8.210 nan 0.000 0.421 122 R N 5.168 125.767 120.500 0.164 0.000 2.429 122 R HA 0.132 4.471 4.340 -0.000 0.000 0.302 122 R C 0.409 176.691 176.300 -0.029 0.000 1.268 122 R CA -0.157 55.851 56.100 -0.153 0.000 1.090 122 R CB 0.009 30.069 30.300 -0.400 0.000 1.102 122 R HN 0.643 nan 8.270 nan 0.000 0.522 123 D N 1.170 121.578 120.400 0.014 0.000 2.363 123 D HA -0.005 4.635 4.640 -0.000 0.000 0.226 123 D C -0.410 175.901 176.300 0.018 0.000 1.020 123 D CA 0.100 54.123 54.000 0.037 0.000 0.892 123 D CB 0.260 41.102 40.800 0.069 0.000 0.900 123 D HN 0.309 nan 8.370 nan 0.000 0.531 124 S N -1.142 114.551 115.700 -0.011 0.000 2.683 124 S HA 0.099 4.568 4.470 -0.000 0.000 0.278 124 S C -0.862 173.723 174.600 -0.026 0.000 1.059 124 S CA -0.527 57.669 58.200 -0.006 0.000 0.847 124 S CB 1.149 64.360 63.200 0.018 0.000 1.078 124 S HN -0.138 nan 8.310 nan 0.000 0.456 125 E N 1.516 121.706 120.200 -0.015 0.000 2.465 125 E HA 0.138 4.488 4.350 -0.000 0.000 0.191 125 E C 0.427 177.029 176.600 0.003 0.000 1.053 125 E CA 0.032 56.424 56.400 -0.013 0.000 0.869 125 E CB 0.157 29.851 29.700 -0.010 0.000 0.977 125 E HN 0.653 nan 8.360 nan 0.000 0.483 126 E N 1.715 121.923 120.200 0.014 0.000 2.414 126 E HA -0.025 4.324 4.350 -0.000 0.000 0.263 126 E C -0.326 176.299 176.600 0.040 0.000 1.000 126 E CA 0.176 56.599 56.400 0.037 0.000 0.914 126 E CB 0.510 30.249 29.700 0.065 0.000 0.948 126 E HN -0.270 nan 8.360 nan 0.000 0.444 127 K N 3.677 124.100 120.400 0.038 0.000 2.221 127 K HA 0.382 4.702 4.320 -0.000 0.000 0.243 127 K C -0.448 176.187 176.600 0.058 0.000 0.968 127 K CA -0.850 55.433 56.287 -0.007 0.000 0.846 127 K CB 1.725 34.188 32.500 -0.062 0.000 1.141 127 K HN 0.516 nan 8.250 nan 0.000 0.434 128 R N 1.828 122.318 120.500 -0.017 0.000 2.393 128 R HA 0.311 4.651 4.340 -0.000 0.000 0.315 128 R C -1.033 175.206 176.300 -0.102 0.000 0.952 128 R CA -0.278 55.809 56.100 -0.021 0.000 0.842 128 R CB 0.563 30.722 30.300 -0.234 0.000 1.163 128 R HN 0.679 nan 8.270 nan 0.000 0.450 129 N N 1.746 120.391 118.700 -0.091 0.000 2.381 129 N HA 0.549 5.289 4.740 -0.000 0.000 0.294 129 N C -1.463 173.960 175.510 -0.145 0.000 1.216 129 N CA -0.851 52.126 53.050 -0.122 0.000 0.803 129 N CB 2.611 41.028 38.487 -0.117 0.000 1.372 129 N HN 0.341 nan 8.380 nan 0.000 0.500 130 V N -1.786 118.051 119.914 -0.127 0.000 2.888 130 V HA 0.565 4.685 4.120 -0.000 0.000 0.309 130 V C -1.397 174.638 176.094 -0.099 0.000 1.114 130 V CA -0.787 61.437 62.300 -0.127 0.000 0.940 130 V CB 1.810 33.554 31.823 -0.133 0.000 1.021 130 V HN 0.776 nan 8.190 nan 0.000 0.426 131 Q N 2.845 122.594 119.800 -0.086 0.000 2.341 131 Q HA 0.756 5.096 4.340 -0.000 0.000 0.268 131 Q C -1.956 174.027 176.000 -0.029 0.000 1.013 131 Q CA -0.618 55.152 55.803 -0.054 0.000 0.798 131 Q CB 2.163 30.871 28.738 -0.050 0.000 1.253 131 Q HN 0.861 nan 8.270 nan 0.000 0.457 132 V N 4.177 124.073 119.914 -0.030 0.000 2.409 132 V HA 0.372 4.491 4.120 -0.000 0.000 0.291 132 V C -0.840 175.258 176.094 0.007 0.000 1.020 132 V CA -0.758 61.530 62.300 -0.021 0.000 0.848 132 V CB 1.802 33.579 31.823 -0.077 0.000 0.990 132 V HN 0.805 nan 8.190 nan 0.000 0.430 133 D N 3.920 124.347 120.400 0.044 0.000 2.414 133 D HA 0.382 5.022 4.640 -0.000 0.000 0.232 133 D C -0.634 175.665 176.300 -0.001 0.000 1.070 133 D CA -0.130 53.905 54.000 0.058 0.000 0.839 133 D CB 2.420 43.322 40.800 0.170 0.000 1.079 133 D HN 0.250 nan 8.370 nan 0.000 0.521 134 V N 3.105 122.969 119.914 -0.084 0.000 2.311 134 V HA 0.215 4.335 4.120 -0.000 0.000 0.275 134 V C 0.158 176.205 176.094 -0.078 0.000 1.022 134 V CA -0.655 61.611 62.300 -0.057 0.000 0.830 134 V CB 1.542 33.330 31.823 -0.058 0.000 1.012 134 V HN 0.242 nan 8.190 nan 0.000 0.452 135 V N 4.252 124.155 119.914 -0.019 0.000 2.357 135 V HA 0.320 4.439 4.120 -0.000 0.000 0.284 135 V C 0.405 176.515 176.094 0.027 0.000 1.018 135 V CA -0.798 61.504 62.300 0.003 0.000 0.841 135 V CB 1.633 33.475 31.823 0.033 0.000 0.991 135 V HN 0.936 nan 8.190 nan 0.000 0.437 136 E N 3.433 123.660 120.200 0.045 0.000 2.585 136 E HA 0.213 4.562 4.350 -0.000 0.000 0.252 136 E C 1.350 177.975 176.600 0.042 0.000 0.981 136 E CA 1.201 57.636 56.400 0.060 0.000 0.943 136 E CB 0.155 29.929 29.700 0.124 0.000 0.923 136 E HN 1.080 nan 8.360 nan 0.000 0.486 137 G N 4.483 113.303 108.800 0.034 0.000 2.225 137 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.254 137 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.254 137 G C 0.505 175.421 174.900 0.027 0.000 0.988 137 G CA 0.570 45.685 45.100 0.026 0.000 0.625 137 G HN 0.598 nan 8.290 nan 0.000 0.527 138 K N 0.555 120.974 120.400 0.031 0.000 2.646 138 K HA 0.501 4.820 4.320 -0.000 0.000 0.206 138 K C 1.282 177.908 176.600 0.044 0.000 1.069 138 K CA 0.133 56.440 56.287 0.034 0.000 1.067 138 K CB 1.111 33.629 32.500 0.031 0.000 0.807 138 K HN 1.389 nan 8.250 nan 0.000 0.482 139 G N 2.050 110.880 108.800 0.051 0.000 2.562 139 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.250 139 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.250 139 G C -0.543 174.406 174.900 0.081 0.000 1.269 139 G CA -0.636 44.508 45.100 0.074 0.000 0.919 139 G HN 0.207 nan 8.290 nan 0.000 0.574 140 I N 0.943 121.593 120.570 0.132 0.000 2.478 140 I HA 0.327 4.497 4.170 -0.000 0.000 0.287 140 I C -1.316 174.924 176.117 0.205 0.000 1.042 140 I CA -0.679 60.708 61.300 0.145 0.000 1.067 140 I CB 2.066 40.155 38.000 0.149 0.000 1.233 140 I HN 0.309 nan 8.210 nan 0.000 0.431 141 D N 7.758 128.242 120.400 0.140 0.000 2.280 141 D HA 0.563 5.203 4.640 -0.000 0.000 0.236 141 D C -0.425 175.969 176.300 0.156 0.000 1.082 141 D CA -0.002 54.084 54.000 0.143 0.000 0.834 141 D CB 2.235 43.090 40.800 0.092 0.000 1.100 141 D HN 0.289 nan 8.370 nan 0.000 0.486 142 I N 1.916 122.632 120.570 0.243 0.000 2.436 142 I HA 0.274 4.444 4.170 -0.000 0.000 0.289 142 I C 0.065 176.360 176.117 0.296 0.000 1.010 142 I CA -0.767 60.677 61.300 0.239 0.000 1.098 142 I CB 1.740 39.880 38.000 0.233 0.000 1.266 142 I HN -0.124 nan 8.210 nan 0.000 0.434 143 K N 4.557 125.026 120.400 0.114 0.000 2.307 143 K HA 0.562 4.882 4.320 -0.000 0.000 0.263 143 K C -0.791 175.719 176.600 -0.149 0.000 0.973 143 K CA -0.421 55.857 56.287 -0.016 0.000 0.846 143 K CB 1.988 34.445 32.500 -0.072 0.000 1.100 143 K HN 0.506 nan 8.250 nan 0.000 0.438 144 S N 0.984 116.446 115.700 -0.395 0.000 2.593 144 S HA 0.620 5.090 4.470 -0.000 0.000 0.297 144 S C -0.673 173.172 174.600 -1.259 0.000 1.112 144 S CA -0.799 56.991 58.200 -0.683 0.000 1.043 144 S CB 1.552 64.452 63.200 -0.500 0.000 1.054 144 S HN 0.721 nan 8.310 nan 0.000 0.516 145 S N 0.547 115.700 115.700 -0.913 0.000 2.587 145 S HA 0.710 5.180 4.470 -0.000 0.000 0.269 145 S C -1.675 172.849 174.600 -0.128 0.000 1.154 145 S CA -1.089 56.687 58.200 -0.708 0.000 0.824 145 S CB 0.476 63.453 63.200 -0.372 0.000 1.118 145 S HN 0.724 nan 8.310 nan 0.000 0.462 146 L N -0.408 120.879 121.223 0.107 0.000 2.362 146 L HA 1.034 5.374 4.340 -0.000 0.000 0.271 146 L C -0.349 176.576 176.870 0.091 0.000 1.002 146 L CA -0.502 54.477 54.840 0.231 0.000 0.818 146 L CB 1.793 44.088 42.059 0.393 0.000 1.298 146 L HN 1.076 nan 8.230 nan 0.000 0.420 147 S N -0.460 115.281 115.700 0.068 0.000 2.638 147 S HA 0.832 5.301 4.470 -0.000 0.000 0.274 147 S C 0.464 175.078 174.600 0.023 0.000 1.157 147 S CA -0.293 57.921 58.200 0.023 0.000 0.826 147 S CB 1.138 64.333 63.200 -0.008 0.000 1.139 147 S HN 2.239 nan 8.310 nan 0.000 0.474 148 G N -0.362 108.440 108.800 0.004 0.000 2.153 148 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.252 148 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.252 148 G C -0.312 174.587 174.900 -0.003 0.000 0.994 148 G CA 0.345 45.444 45.100 -0.001 0.000 0.698 148 G HN 1.355 nan 8.290 nan 0.000 0.521 149 L N 1.961 123.179 121.223 -0.008 0.000 2.260 149 L HA 0.741 5.081 4.340 -0.000 0.000 0.289 149 L C 0.138 176.964 176.870 -0.073 0.000 1.057 149 L CA -0.118 54.704 54.840 -0.029 0.000 0.811 149 L CB 1.192 43.235 42.059 -0.026 0.000 1.184 149 L HN 0.073 nan 8.230 nan 0.000 0.429 150 T N 5.601 120.109 114.554 -0.076 0.000 2.779 150 T HA 0.684 5.034 4.350 -0.000 0.000 0.280 150 T C -0.457 174.161 174.700 -0.135 0.000 0.987 150 T CA -0.393 61.648 62.100 -0.097 0.000 0.966 150 T CB 1.346 70.182 68.868 -0.052 0.000 0.933 150 T HN 0.566 nan 8.240 nan 0.000 0.442 151 V N 1.800 121.579 119.914 -0.225 0.000 3.102 151 V HA 0.927 5.047 4.120 -0.000 0.000 0.312 151 V C -1.071 174.928 176.094 -0.159 0.000 1.135 151 V CA -1.209 60.917 62.300 -0.290 0.000 1.022 151 V CB 2.098 33.473 31.823 -0.747 0.000 1.056 151 V HN 0.839 nan 8.190 nan 0.000 0.436 152 L N 1.973 123.203 121.223 0.012 0.000 2.513 152 L HA 0.711 5.051 4.340 -0.000 0.000 0.261 152 L C -1.017 175.969 176.870 0.194 0.000 0.945 152 L CA -0.511 54.386 54.840 0.095 0.000 0.848 152 L CB 2.051 44.075 42.059 -0.058 0.000 1.334 152 L HN 1.045 nan 8.230 nan 0.000 0.407 153 K N 1.517 122.009 120.400 0.153 0.000 2.345 153 K HA 0.477 4.797 4.320 -0.000 0.000 0.255 153 K C -0.033 176.509 176.600 -0.096 0.000 0.934 153 K CA -0.351 55.935 56.287 -0.002 0.000 0.801 153 K CB 1.900 34.294 32.500 -0.177 0.000 1.137 153 K HN 0.512 nan 8.250 nan 0.000 0.424 154 S N 1.259 116.897 115.700 -0.104 0.000 2.515 154 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 154 S C 0.711 175.251 174.600 -0.101 0.000 0.987 154 S CA 0.530 58.648 58.200 -0.136 0.000 0.936 154 S CB -0.143 62.998 63.200 -0.098 0.000 0.766 154 S HN 0.807 nan 8.310 nan 0.000 0.528 155 T N 0.264 114.774 114.554 -0.073 0.000 2.661 155 T HA 0.440 4.790 4.350 -0.000 0.000 0.305 155 T C -1.536 173.139 174.700 -0.042 0.000 1.441 155 T CA -0.512 61.569 62.100 -0.031 0.000 0.999 155 T CB 0.548 69.416 68.868 0.000 0.000 1.650 155 T HN -0.001 nan 8.240 nan 0.000 0.489 156 N N 0.269 118.968 118.700 -0.003 0.000 2.816 156 N HA -0.111 4.629 4.740 -0.000 0.000 0.247 156 N C -1.123 174.366 175.510 -0.036 0.000 1.100 156 N CA 1.377 54.421 53.050 -0.011 0.000 0.687 156 N CB -1.281 37.179 38.487 -0.045 0.000 1.003 156 N HN 0.668 nan 8.380 nan 0.000 0.554 157 S N -0.626 115.074 115.700 0.001 0.000 2.540 157 S HA 0.750 5.220 4.470 -0.000 0.000 0.275 157 S C -1.036 173.607 174.600 0.072 0.000 1.123 157 S CA -0.510 57.690 58.200 -0.001 0.000 0.907 157 S CB 1.520 64.698 63.200 -0.036 0.000 1.081 157 S HN 0.218 nan 8.310 nan 0.000 0.476 158 Q N 1.409 121.258 119.800 0.082 0.000 2.544 158 Q HA 0.693 5.032 4.340 -0.000 0.000 0.291 158 Q C -1.932 174.140 176.000 0.120 0.000 1.068 158 Q CA -0.793 55.079 55.803 0.115 0.000 0.785 158 Q CB 2.439 31.272 28.738 0.157 0.000 1.481 158 Q HN 0.590 nan 8.270 nan 0.000 0.430 159 F N 2.550 122.412 119.950 -0.147 0.000 3.395 159 F HA 0.436 4.963 4.527 -0.000 0.000 0.382 159 F C -2.109 173.644 175.800 -0.077 0.000 1.264 159 F CA -0.333 57.555 58.000 -0.186 0.000 1.277 159 F CB 0.816 39.765 39.000 -0.084 0.000 1.780 159 F HN 0.617 nan 8.300 nan 0.000 0.691 160 W N 2.726 123.697 121.300 -0.549 0.000 3.018 160 W HA 0.638 5.298 4.660 -0.000 0.000 0.352 160 W C 0.430 176.624 176.519 -0.541 0.000 1.230 160 W CA -1.404 55.544 57.345 -0.662 0.000 1.162 160 W CB 0.989 29.827 29.460 -1.036 0.000 1.483 160 W HN 1.159 nan 8.180 nan 0.000 0.584 161 G N 0.794 109.460 108.800 -0.223 0.000 2.143 161 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.248 161 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.248 161 G C -0.437 174.279 174.900 -0.307 0.000 0.991 161 G CA 0.441 45.458 45.100 -0.138 0.000 0.689 161 G HN 0.912 nan 8.290 nan 0.000 0.522 162 F N -1.166 118.578 119.950 -0.344 0.000 2.378 162 F HA 0.764 5.290 4.527 -0.000 0.000 0.325 162 F C 0.736 176.465 175.800 -0.118 0.000 1.097 162 F CA -2.064 55.767 58.000 -0.281 0.000 1.079 162 F CB 0.809 39.552 39.000 -0.428 0.000 1.240 162 F HN 0.087 nan 8.300 nan 0.000 0.519 163 L N 3.320 124.643 121.223 0.167 0.000 2.628 163 L HA 0.156 4.496 4.340 -0.000 0.000 0.274 163 L C -0.384 176.584 176.870 0.164 0.000 1.209 163 L CA 0.427 55.336 54.840 0.115 0.000 0.930 163 L CB 0.034 42.163 42.059 0.117 0.000 1.183 163 L HN 0.724 nan 8.230 nan 0.000 0.492 164 R N 4.279 124.815 120.500 0.059 0.000 2.437 164 R HA 0.464 4.803 4.340 -0.000 0.000 0.310 164 R C -1.197 175.147 176.300 0.073 0.000 0.955 164 R CA -0.790 55.355 56.100 0.076 0.000 0.851 164 R CB 1.514 31.804 30.300 -0.017 0.000 1.161 164 R HN 0.732 nan 8.270 nan 0.000 0.446 165 D N 0.112 120.575 120.400 0.105 0.000 2.958 165 D HA -0.051 4.589 4.640 -0.000 0.000 0.306 165 D C 0.481 176.812 176.300 0.051 0.000 1.226 165 D CA -0.728 53.323 54.000 0.085 0.000 1.032 165 D CB 0.060 40.940 40.800 0.134 0.000 1.400 165 D HN 0.397 nan 8.370 nan 0.000 0.587 166 E N -0.574 119.609 120.200 -0.028 0.000 2.515 166 E HA -0.142 4.208 4.350 -0.000 0.000 0.201 166 E C 0.037 176.453 176.600 -0.307 0.000 1.071 166 E CA 0.721 57.013 56.400 -0.180 0.000 0.880 166 E CB -0.438 29.099 29.700 -0.272 0.000 0.828 166 E HN 0.560 nan 8.360 nan 0.000 0.540 167 Y N 0.653 120.976 120.300 0.038 0.000 2.481 167 Y HA 0.225 4.775 4.550 -0.000 0.000 0.247 167 Y C 0.525 176.455 175.900 0.050 0.000 1.151 167 Y CA -0.089 58.033 58.100 0.038 0.000 1.238 167 Y CB 0.978 39.459 38.460 0.035 0.000 1.179 167 Y HN -0.130 nan 8.280 nan 0.000 0.524 168 T N -0.131 114.527 114.554 0.174 0.000 2.837 168 T HA 0.315 4.665 4.350 -0.000 0.000 0.285 168 T C 1.091 175.862 174.700 0.119 0.000 0.984 168 T CA 0.220 62.420 62.100 0.167 0.000 1.049 168 T CB 1.507 70.500 68.868 0.208 0.000 0.947 168 T HN 0.361 nan 8.240 nan 0.000 0.472 169 T N -0.196 114.429 114.554 0.117 0.000 3.029 169 T HA 0.189 4.539 4.350 -0.000 0.000 0.256 169 T C 0.435 175.194 174.700 0.098 0.000 0.914 169 T CA -0.429 61.719 62.100 0.081 0.000 0.880 169 T CB -0.177 68.718 68.868 0.045 0.000 1.246 169 T HN 0.298 nan 8.240 nan 0.000 0.523 170 L N 2.979 124.283 121.223 0.134 0.000 2.540 170 L HA 0.364 4.704 4.340 -0.000 0.000 0.276 170 L C -0.058 176.975 176.870 0.270 0.000 1.212 170 L CA 0.400 55.337 54.840 0.163 0.000 0.893 170 L CB 0.106 42.249 42.059 0.140 0.000 1.138 170 L HN 0.158 nan 8.230 nan 0.000 0.491 171 K N 4.193 124.720 120.400 0.211 0.000 2.143 171 K HA 0.303 4.623 4.320 -0.000 0.000 0.272 171 K C -0.362 176.405 176.600 0.278 0.000 1.001 171 K CA -0.549 55.861 56.287 0.205 0.000 0.915 171 K CB 0.841 33.427 32.500 0.145 0.000 1.047 171 K HN 0.615 nan 8.250 nan 0.000 0.458 172 E N 0.815 121.141 120.200 0.209 0.000 2.404 172 E HA 0.040 4.390 4.350 -0.000 0.000 0.261 172 E C -0.118 176.583 176.600 0.170 0.000 1.074 172 E CA 0.064 56.550 56.400 0.144 0.000 0.917 172 E CB 1.003 30.656 29.700 -0.079 0.000 0.965 172 E HN 0.359 nan 8.360 nan 0.000 0.433 173 T N 0.625 115.215 114.554 0.061 0.000 2.896 173 T HA 0.291 4.640 4.350 -0.000 0.000 0.297 173 T C -0.917 173.814 174.700 0.051 0.000 1.108 173 T CA -0.683 61.542 62.100 0.209 0.000 1.004 173 T CB 0.800 69.821 68.868 0.255 0.000 1.159 173 T HN 0.637 nan 8.240 nan 0.000 0.499 174 W N 1.061 122.498 121.300 0.229 0.000 2.714 174 W HA 0.294 4.954 4.660 -0.000 0.000 0.353 174 W C -0.166 176.457 176.519 0.173 0.000 0.999 174 W CA -0.285 57.194 57.345 0.224 0.000 1.629 174 W CB 0.798 30.311 29.460 0.088 0.000 1.106 174 W HN 0.582 nan 8.180 nan 0.000 0.545 175 D N 0.820 121.411 120.400 0.319 0.000 2.964 175 D HA 0.345 4.985 4.640 -0.000 0.000 0.234 175 D C -0.578 175.835 176.300 0.189 0.000 1.223 175 D CA -0.063 54.067 54.000 0.216 0.000 0.889 175 D CB 1.476 42.394 40.800 0.197 0.000 1.609 175 D HN -0.005 nan 8.370 nan 0.000 0.523 176 R N 1.997 122.571 120.500 0.124 0.000 2.728 176 R HA 0.503 4.842 4.340 -0.000 0.000 0.274 176 R C -1.291 175.003 176.300 -0.009 0.000 1.032 176 R CA -0.842 55.315 56.100 0.095 0.000 0.866 176 R CB 0.260 30.642 30.300 0.137 0.000 1.263 176 R HN 0.258 nan 8.270 nan 0.000 0.475 177 I N 1.526 122.043 120.570 -0.088 0.000 2.519 177 I HA 0.241 4.410 4.170 -0.000 0.000 0.287 177 I C -0.535 175.538 176.117 -0.073 0.000 1.047 177 I CA -0.839 60.348 61.300 -0.188 0.000 1.381 177 I CB 1.333 39.072 38.000 -0.436 0.000 1.417 177 I HN 0.410 nan 8.210 nan 0.000 0.540 178 L N 6.370 127.556 121.223 -0.062 0.000 2.342 178 L HA 0.542 4.882 4.340 -0.000 0.000 0.276 178 L C -0.576 176.358 176.870 0.107 0.000 0.997 178 L CA 0.311 55.168 54.840 0.029 0.000 0.838 178 L CB 1.398 43.467 42.059 0.017 0.000 1.224 178 L HN 0.555 nan 8.230 nan 0.000 0.416 179 S N 3.176 118.922 115.700 0.078 0.000 2.536 179 S HA 0.910 5.380 4.470 -0.000 0.000 0.287 179 S C -0.848 173.762 174.600 0.017 0.000 1.101 179 S CA -0.177 58.064 58.200 0.068 0.000 0.950 179 S CB 1.491 64.742 63.200 0.086 0.000 1.056 179 S HN 0.861 nan 8.310 nan 0.000 0.481 180 T N 2.202 116.726 114.554 -0.049 0.000 2.827 180 T HA 0.375 4.725 4.350 -0.000 0.000 0.328 180 T C -2.333 172.299 174.700 -0.113 0.000 1.598 180 T CA -0.632 61.421 62.100 -0.079 0.000 1.043 180 T CB 1.240 70.071 68.868 -0.061 0.000 1.447 180 T HN 0.584 nan 8.240 nan 0.000 0.491 181 D N 1.476 121.827 120.400 -0.081 0.000 2.225 181 D HA 0.551 5.191 4.640 -0.000 0.000 0.249 181 D C -0.357 175.910 176.300 -0.054 0.000 1.052 181 D CA -0.096 53.861 54.000 -0.071 0.000 0.909 181 D CB 1.841 42.613 40.800 -0.046 0.000 1.186 181 D HN 0.303 nan 8.370 nan 0.000 0.431 182 V N 2.130 122.017 119.914 -0.046 0.000 2.417 182 V HA 0.214 4.334 4.120 -0.000 0.000 0.291 182 V C -0.101 176.006 176.094 0.021 0.000 1.024 182 V CA -0.677 61.629 62.300 0.011 0.000 0.861 182 V CB 1.873 33.712 31.823 0.027 0.000 0.985 182 V HN 0.418 nan 8.190 nan 0.000 0.436 183 D N 3.767 124.184 120.400 0.028 0.000 2.381 183 D HA 0.664 5.304 4.640 -0.000 0.000 0.235 183 D C -0.564 175.681 176.300 -0.092 0.000 1.068 183 D CA -0.047 53.944 54.000 -0.016 0.000 0.832 183 D CB 2.030 42.818 40.800 -0.020 0.000 1.101 183 D HN 0.706 nan 8.370 nan 0.000 0.515 184 A N 2.845 125.585 122.820 -0.134 0.000 2.356 184 A HA 0.666 4.985 4.320 -0.000 0.000 0.310 184 A C -0.450 177.066 177.584 -0.113 0.000 1.075 184 A CA -0.547 51.282 52.037 -0.348 0.000 0.746 184 A CB 1.589 20.338 19.000 -0.419 0.000 1.221 184 A HN 0.377 nan 8.150 nan 0.000 0.443 185 T N 2.453 116.913 114.554 -0.156 0.000 2.848 185 T HA 0.588 4.938 4.350 -0.000 0.000 0.285 185 T C -1.051 173.644 174.700 -0.007 0.000 0.995 185 T CA -0.053 61.931 62.100 -0.194 0.000 0.970 185 T CB 0.568 69.321 68.868 -0.192 0.000 0.976 185 T HN 0.733 nan 8.240 nan 0.000 0.441 186 W N 2.465 123.673 121.300 -0.154 0.000 2.471 186 W HA 0.700 5.360 4.660 -0.000 0.000 0.318 186 W C -0.370 175.995 176.519 -0.256 0.000 1.034 186 W CA -1.176 56.028 57.345 -0.236 0.000 1.224 186 W CB 0.709 29.975 29.460 -0.323 0.000 1.335 186 W HN 0.495 nan 8.180 nan 0.000 0.452 187 Q N 3.325 123.064 119.800 -0.103 0.000 2.322 187 Q HA 0.257 4.597 4.340 -0.000 0.000 0.256 187 Q C -0.855 175.086 176.000 -0.099 0.000 0.960 187 Q CA -0.519 55.236 55.803 -0.080 0.000 0.934 187 Q CB 0.780 29.500 28.738 -0.029 0.000 1.200 187 Q HN 0.651 nan 8.270 nan 0.000 0.435 188 W N 3.720 125.079 121.300 0.098 0.000 2.184 188 W HA 0.156 4.816 4.660 -0.001 0.000 0.338 188 W C 0.475 176.924 176.519 -0.115 0.000 1.257 188 W CA -0.343 57.047 57.345 0.076 0.000 1.243 188 W CB 0.502 30.122 29.460 0.267 0.000 1.122 188 W HN 0.473 nan 8.180 nan 0.000 0.585 189 K N 3.321 123.729 120.400 0.014 0.000 2.355 189 K HA -0.048 4.271 4.320 -0.000 0.000 0.270 189 K C 0.450 176.811 176.600 -0.399 0.000 1.003 189 K CA -0.563 55.624 56.287 -0.166 0.000 0.957 189 K CB 0.422 32.817 32.500 -0.176 0.000 0.939 189 K HN 0.553 nan 8.250 nan 0.000 0.482 190 N N 2.509 121.067 118.700 -0.235 0.000 2.357 190 N HA -0.086 4.654 4.740 -0.000 0.000 0.257 190 N C -1.311 174.007 175.510 -0.319 0.000 1.250 190 N CA 0.337 53.269 53.050 -0.196 0.000 0.862 190 N CB 0.091 38.546 38.487 -0.053 0.000 1.066 190 N HN 0.352 nan 8.380 nan 0.000 0.468 191 F N 1.274 121.273 119.950 0.081 0.000 2.420 191 F HA 0.163 4.690 4.527 -0.000 0.000 0.342 191 F C 1.838 177.671 175.800 0.055 0.000 1.113 191 F CA -0.715 57.331 58.000 0.076 0.000 1.059 191 F CB 1.600 40.647 39.000 0.078 0.000 1.128 191 F HN 0.531 nan 8.300 nan 0.000 0.475 192 S N 1.052 116.889 115.700 0.227 0.000 2.423 192 S HA 0.312 4.782 4.470 -0.000 0.000 0.231 192 S C 0.807 175.477 174.600 0.118 0.000 1.014 192 S CA 0.652 58.933 58.200 0.134 0.000 0.965 192 S CB -0.356 62.908 63.200 0.107 0.000 0.785 192 S HN 0.972 nan 8.310 nan 0.000 0.495 193 G N -0.699 108.184 108.800 0.138 0.000 2.430 193 G HA2 0.457 4.417 3.960 -0.000 0.000 0.300 193 G HA3 0.457 4.417 3.960 -0.000 0.000 0.300 193 G C -0.155 174.770 174.900 0.042 0.000 1.330 193 G CA -0.370 44.774 45.100 0.073 0.000 0.813 193 G HN 0.135 nan 8.290 nan 0.000 0.487 194 L N -0.347 120.875 121.223 -0.001 0.000 2.201 194 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 194 L C 2.886 179.730 176.870 -0.043 0.000 1.105 194 L CA 1.560 56.377 54.840 -0.040 0.000 0.775 194 L CB -0.018 42.016 42.059 -0.043 0.000 0.913 194 L HN 0.626 nan 8.230 nan 0.000 0.440 195 Q N 0.207 119.996 119.800 -0.019 0.000 2.119 195 Q HA -0.242 4.097 4.340 -0.000 0.000 0.201 195 Q C 1.930 177.914 176.000 -0.026 0.000 0.972 195 Q CA 1.700 57.489 55.803 -0.024 0.000 0.847 195 Q CB -0.024 28.708 28.738 -0.010 0.000 0.903 195 Q HN 0.462 nan 8.270 nan 0.000 0.433 196 E N -1.104 119.109 120.200 0.021 0.000 2.072 196 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 196 E C 1.822 178.421 176.600 -0.002 0.000 0.985 196 E CA 1.063 57.512 56.400 0.082 0.000 0.801 196 E CB 0.172 30.020 29.700 0.248 0.000 0.750 196 E HN 0.208 nan 8.360 nan 0.000 0.452 197 V N 1.386 121.197 119.914 -0.172 0.000 2.287 197 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 197 V C 2.463 178.468 176.094 -0.148 0.000 1.053 197 V CA 2.001 64.068 62.300 -0.389 0.000 1.027 197 V CB -0.525 31.081 31.823 -0.362 0.000 0.646 197 V HN 0.282 nan 8.190 nan 0.000 0.447 198 R N 0.577 121.014 120.500 -0.105 0.000 2.139 198 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 198 R C 2.441 178.683 176.300 -0.097 0.000 1.145 198 R CA 1.769 57.825 56.100 -0.073 0.000 0.976 198 R CB -0.490 29.771 30.300 -0.065 0.000 0.866 198 R HN 0.717 nan 8.270 nan 0.000 0.449 199 S N -1.142 114.465 115.700 -0.155 0.000 2.496 199 S HA -0.062 4.408 4.470 -0.000 0.000 0.224 199 S C 1.064 175.457 174.600 -0.346 0.000 0.996 199 S CA 0.596 58.647 58.200 -0.249 0.000 0.927 199 S CB -0.062 62.955 63.200 -0.305 0.000 0.774 199 S HN 0.460 nan 8.310 nan 0.000 0.524 200 H N -0.194 118.764 119.070 -0.188 0.000 2.594 200 H HA 0.428 4.983 4.556 -0.000 0.000 0.279 200 H C 1.542 176.545 175.328 -0.543 0.000 1.042 200 H CA 0.050 55.898 56.048 -0.332 0.000 1.177 200 H CB 0.412 29.941 29.762 -0.390 0.000 1.524 200 H HN 0.167 nan 8.280 nan 0.000 0.537 201 V N 1.754 121.567 119.914 -0.168 0.000 2.363 201 V HA -0.248 3.872 4.120 -0.000 0.000 0.254 201 V C -0.611 175.439 176.094 -0.073 0.000 1.074 201 V CA 2.126 64.416 62.300 -0.016 0.000 1.069 201 V CB -0.807 31.044 31.823 0.047 0.000 0.659 201 V HN 0.423 nan 8.190 nan 0.000 0.455 202 P HA -0.068 nan 4.420 nan 0.000 0.222 202 P C 1.533 178.803 177.300 -0.049 0.000 1.153 202 P CA 1.012 64.090 63.100 -0.037 0.000 0.798 202 P CB -0.049 31.637 31.700 -0.023 0.000 0.796 203 K N -1.247 119.034 120.400 -0.199 0.000 2.147 203 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 203 K C 1.706 178.329 176.600 0.039 0.000 1.049 203 K CA 1.284 57.491 56.287 -0.133 0.000 0.936 203 K CB -0.547 31.831 32.500 -0.203 0.000 0.722 203 K HN 0.156 nan 8.250 nan 0.000 0.446 204 F N 1.871 121.915 119.950 0.158 0.000 2.060 204 F HA -0.168 4.358 4.527 -0.000 0.000 0.295 204 F C 2.086 178.105 175.800 0.365 0.000 1.120 204 F CA 1.194 59.354 58.000 0.267 0.000 1.205 204 F CB -0.827 38.198 39.000 0.041 0.000 0.986 204 F HN -0.027 nan 8.300 nan 0.000 0.470 205 D N 0.101 120.753 120.400 0.420 0.000 2.144 205 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 205 D C 2.295 178.857 176.300 0.437 0.000 0.984 205 D CA 1.408 55.629 54.000 0.369 0.000 0.834 205 D CB -0.602 40.332 40.800 0.223 0.000 0.955 205 D HN 0.228 nan 8.370 nan 0.000 0.465 206 A N 0.082 123.087 122.820 0.308 0.000 1.930 206 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 206 A C 2.299 180.001 177.584 0.197 0.000 1.175 206 A CA 1.828 53.998 52.037 0.222 0.000 0.627 206 A CB -0.739 18.345 19.000 0.141 0.000 0.815 206 A HN 0.219 nan 8.150 nan 0.000 0.443 207 T N -1.672 113.044 114.554 0.270 0.000 2.867 207 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 207 T C 1.466 176.140 174.700 -0.044 0.000 1.057 207 T CA 1.278 63.441 62.100 0.105 0.000 1.136 207 T CB -0.311 68.710 68.868 0.254 0.000 0.874 207 T HN 0.773 nan 8.240 nan 0.000 0.466 208 W N 2.308 123.678 121.300 0.116 0.000 2.379 208 W HA 0.050 4.710 4.660 -0.000 0.000 0.307 208 W C 2.473 178.992 176.519 -0.000 0.000 1.200 208 W CA 0.928 58.362 57.345 0.150 0.000 1.297 208 W CB -0.530 29.177 29.460 0.411 0.000 1.140 208 W HN 0.198 nan 8.180 nan 0.000 0.507 209 A N -0.014 122.809 122.820 0.005 0.000 1.933 209 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 209 A C 1.914 179.312 177.584 -0.310 0.000 1.175 209 A CA 2.341 54.197 52.037 -0.302 0.000 0.628 209 A CB -1.356 17.685 19.000 0.068 0.000 0.814 209 A HN 0.332 nan 8.150 nan 0.000 0.444 210 T N 0.191 114.617 114.554 -0.214 0.000 2.708 210 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 210 T C 2.273 176.778 174.700 -0.325 0.000 1.037 210 T CA 1.644 63.609 62.100 -0.225 0.000 1.146 210 T CB -0.483 68.275 68.868 -0.183 0.000 0.865 210 T HN 0.602 nan 8.240 nan 0.000 0.435 211 A N 1.549 124.067 122.820 -0.502 0.000 1.908 211 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 211 A C 2.279 179.625 177.584 -0.397 0.000 1.181 211 A CA 2.077 53.762 52.037 -0.585 0.000 0.627 211 A CB -0.612 17.679 19.000 -1.181 0.000 0.818 211 A HN 0.433 nan 8.150 nan 0.000 0.445 212 R N -0.108 120.088 120.500 -0.506 0.000 2.070 212 R HA -0.190 4.149 4.340 -0.000 0.000 0.233 212 R C 2.337 178.484 176.300 -0.255 0.000 1.137 212 R CA 1.857 57.707 56.100 -0.417 0.000 0.945 212 R CB -0.363 29.512 30.300 -0.708 0.000 0.845 212 R HN 0.774 nan 8.270 nan 0.000 0.430 213 E N -0.136 119.912 120.200 -0.253 0.000 2.085 213 E HA -0.178 4.171 4.350 -0.000 0.000 0.194 213 E C 1.782 178.319 176.600 -0.105 0.000 0.994 213 E CA 1.724 58.034 56.400 -0.151 0.000 0.801 213 E CB -0.128 29.494 29.700 -0.131 0.000 0.743 213 E HN 0.227 nan 8.360 nan 0.000 0.453 214 V N 1.238 121.080 119.914 -0.121 0.000 2.343 214 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 214 V C 2.421 178.489 176.094 -0.043 0.000 1.051 214 V CA 2.191 64.441 62.300 -0.084 0.000 1.036 214 V CB -0.725 31.035 31.823 -0.104 0.000 0.654 214 V HN 0.447 nan 8.190 nan 0.000 0.451 215 T N 0.331 114.866 114.554 -0.031 0.000 2.674 215 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 215 T C 1.848 176.573 174.700 0.042 0.000 1.039 215 T CA 1.454 63.570 62.100 0.026 0.000 1.150 215 T CB -0.292 68.611 68.868 0.059 0.000 0.864 215 T HN 0.147 nan 8.240 nan 0.000 0.427 216 L N 1.144 122.372 121.223 0.009 0.000 2.027 216 L HA 0.060 4.399 4.340 -0.000 0.000 0.206 216 L C 2.421 179.350 176.870 0.099 0.000 1.074 216 L CA 1.638 56.509 54.840 0.052 0.000 0.745 216 L CB -0.971 41.087 42.059 -0.002 0.000 0.898 216 L HN 0.208 nan 8.230 nan 0.000 0.433 217 K N -0.905 119.515 120.400 0.034 0.000 2.009 217 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 217 K C 1.917 178.529 176.600 0.020 0.000 1.049 217 K CA 2.060 58.358 56.287 0.019 0.000 0.929 217 K CB -0.102 32.392 32.500 -0.011 0.000 0.714 217 K HN 0.298 nan 8.250 nan 0.000 0.440 218 T N 0.769 115.333 114.554 0.016 0.000 2.746 218 T HA -0.145 4.204 4.350 -0.000 0.000 0.267 218 T C 1.437 176.140 174.700 0.005 0.000 1.039 218 T CA 1.355 63.452 62.100 -0.006 0.000 1.142 218 T CB -0.423 68.429 68.868 -0.027 0.000 0.866 218 T HN 0.305 nan 8.240 nan 0.000 0.444 219 F N 2.460 122.370 119.950 -0.067 0.000 2.095 219 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 219 F C 2.486 178.258 175.800 -0.045 0.000 1.104 219 F CA 1.160 59.124 58.000 -0.060 0.000 1.232 219 F CB -0.712 38.256 39.000 -0.054 0.000 0.987 219 F HN 0.145 nan 8.300 nan 0.000 0.475 220 A N -0.223 122.592 122.820 -0.008 0.000 1.902 220 A HA -0.171 4.148 4.320 -0.000 0.000 0.217 220 A C 2.135 179.634 177.584 -0.142 0.000 1.181 220 A CA 1.898 53.883 52.037 -0.087 0.000 0.623 220 A CB -0.769 18.260 19.000 0.048 0.000 0.818 220 A HN 0.584 nan 8.150 nan 0.000 0.443 221 E N -0.498 119.646 120.200 -0.094 0.000 2.250 221 E HA -0.037 4.313 4.350 -0.000 0.000 0.192 221 E C -0.196 176.351 176.600 -0.088 0.000 0.986 221 E CA -0.051 56.304 56.400 -0.074 0.000 0.849 221 E CB 0.056 29.731 29.700 -0.041 0.000 0.797 221 E HN 0.425 nan 8.360 nan 0.000 0.482 222 D N 1.384 121.714 120.400 -0.116 0.000 2.417 222 D HA -0.020 4.620 4.640 -0.000 0.000 0.250 222 D C -0.570 175.662 176.300 -0.113 0.000 1.166 222 D CA 0.212 54.152 54.000 -0.101 0.000 0.881 222 D CB 0.395 41.135 40.800 -0.101 0.000 1.164 222 D HN -0.098 nan 8.370 nan 0.000 0.467 223 N N 2.382 121.049 118.700 -0.055 0.000 2.817 223 N HA 0.145 4.885 4.740 -0.000 0.000 0.234 223 N C -1.481 174.030 175.510 0.002 0.000 1.066 223 N CA -0.324 52.709 53.050 -0.027 0.000 0.926 223 N CB 0.418 38.913 38.487 0.012 0.000 1.176 223 N HN 0.125 nan 8.380 nan 0.000 0.506 224 S N 1.207 116.894 115.700 -0.021 0.000 2.638 224 S HA 0.797 5.267 4.470 -0.000 0.000 0.302 224 S C 0.209 174.802 174.600 -0.011 0.000 1.096 224 S CA -0.457 57.736 58.200 -0.011 0.000 0.953 224 S CB 1.274 64.453 63.200 -0.035 0.000 1.107 224 S HN 0.485 nan 8.310 nan 0.000 0.503 225 A N 1.399 124.184 122.820 -0.058 0.000 2.503 225 A HA 0.559 4.879 4.320 -0.000 0.000 0.263 225 A C 0.309 177.847 177.584 -0.077 0.000 1.258 225 A CA -0.157 51.795 52.037 -0.142 0.000 0.936 225 A CB -0.024 18.663 19.000 -0.522 0.000 1.070 225 A HN 0.543 nan 8.150 nan 0.000 0.522 226 S N -0.583 115.088 115.700 -0.048 0.000 2.779 226 S HA 0.380 4.849 4.470 -0.000 0.000 0.293 226 S C 0.783 175.367 174.600 -0.025 0.000 1.150 226 S CA -0.395 57.795 58.200 -0.017 0.000 1.057 226 S CB 1.238 64.410 63.200 -0.047 0.000 1.021 226 S HN 0.111 nan 8.310 nan 0.000 0.485 227 V N 5.282 125.175 119.914 -0.035 0.000 2.515 227 V HA -0.125 3.995 4.120 -0.000 0.000 0.250 227 V C 2.306 178.385 176.094 -0.025 0.000 1.058 227 V CA 1.742 64.021 62.300 -0.036 0.000 1.064 227 V CB -0.540 31.252 31.823 -0.052 0.000 0.675 227 V HN 0.741 nan 8.190 nan 0.000 0.461 228 Q N 0.359 120.149 119.800 -0.016 0.000 2.061 228 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 228 Q C 2.353 178.364 176.000 0.019 0.000 0.984 228 Q CA 2.198 58.001 55.803 0.001 0.000 0.846 228 Q CB -0.627 28.109 28.738 -0.003 0.000 0.902 228 Q HN 0.655 nan 8.270 nan 0.000 0.421 229 A N -0.339 122.482 122.820 0.001 0.000 1.929 229 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 229 A C 2.209 179.819 177.584 0.044 0.000 1.176 229 A CA 1.706 53.758 52.037 0.025 0.000 0.628 229 A CB -0.820 18.172 19.000 -0.013 0.000 0.816 229 A HN 0.391 nan 8.150 nan 0.000 0.444 230 T N 1.280 115.830 114.554 -0.007 0.000 2.720 230 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 230 T C 1.951 176.596 174.700 -0.091 0.000 1.037 230 T CA 1.959 64.037 62.100 -0.038 0.000 1.144 230 T CB -0.468 68.373 68.868 -0.045 0.000 0.864 230 T HN 0.736 nan 8.240 nan 0.000 0.444 231 M N -0.450 119.080 119.600 -0.116 0.000 2.349 231 M HA 0.127 4.607 4.480 -0.000 0.000 0.266 231 M C 2.200 178.376 176.300 -0.206 0.000 1.076 231 M CA 1.346 56.463 55.300 -0.305 0.000 1.126 231 M CB -0.801 31.615 32.600 -0.307 0.000 1.392 231 M HN 0.151 nan 8.290 nan 0.000 0.440 232 Y N 2.169 122.390 120.300 -0.131 0.000 2.242 232 Y HA -0.074 4.476 4.550 -0.000 0.000 0.291 232 Y C 2.070 177.927 175.900 -0.070 0.000 1.137 232 Y CA 1.705 59.763 58.100 -0.069 0.000 1.181 232 Y CB -0.056 38.380 38.460 -0.041 0.000 0.989 232 Y HN 0.177 nan 8.280 nan 0.000 0.527 233 K N -0.539 119.843 120.400 -0.031 0.000 2.155 233 K HA -0.136 4.183 4.320 -0.000 0.000 0.203 233 K C 2.057 178.565 176.600 -0.153 0.000 1.052 233 K CA 1.491 57.730 56.287 -0.080 0.000 0.948 233 K CB -0.127 32.361 32.500 -0.020 0.000 0.728 233 K HN 0.404 nan 8.250 nan 0.000 0.448 234 M N 0.233 119.715 119.600 -0.198 0.000 2.099 234 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 234 M C 2.410 178.643 176.300 -0.111 0.000 1.067 234 M CA 1.521 56.705 55.300 -0.194 0.000 1.124 234 M CB -0.251 32.096 32.600 -0.421 0.000 1.353 234 M HN 0.191 nan 8.290 nan 0.000 0.410 235 A N 0.273 123.022 122.820 -0.118 0.000 1.883 235 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 235 A C 1.889 179.375 177.584 -0.164 0.000 1.186 235 A CA 1.956 53.969 52.037 -0.039 0.000 0.624 235 A CB -0.878 18.102 19.000 -0.033 0.000 0.822 235 A HN 0.534 nan 8.150 nan 0.000 0.444 236 E N -0.530 119.488 120.200 -0.303 0.000 2.065 236 E HA -0.298 4.052 4.350 -0.000 0.000 0.201 236 E C 2.304 178.813 176.600 -0.151 0.000 1.016 236 E CA 1.803 58.049 56.400 -0.256 0.000 0.818 236 E CB -0.253 29.278 29.700 -0.281 0.000 0.749 236 E HN 0.764 nan 8.360 nan 0.000 0.453 237 Q N 0.030 119.751 119.800 -0.131 0.000 2.170 237 Q HA -0.140 4.200 4.340 -0.000 0.000 0.203 237 Q C 2.209 178.140 176.000 -0.114 0.000 0.976 237 Q CA 0.981 56.721 55.803 -0.104 0.000 0.858 237 Q CB -0.043 28.640 28.738 -0.091 0.000 0.907 237 Q HN 0.346 nan 8.270 nan 0.000 0.433 238 I N 0.163 120.658 120.570 -0.126 0.000 2.233 238 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 238 I C 2.049 178.070 176.117 -0.159 0.000 1.093 238 I CA 0.907 62.106 61.300 -0.169 0.000 1.380 238 I CB -0.113 37.773 38.000 -0.190 0.000 1.067 238 I HN 0.185 nan 8.210 nan 0.000 0.413 239 L N 0.407 121.552 121.223 -0.130 0.000 2.079 239 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 239 L C 2.778 179.592 176.870 -0.092 0.000 1.081 239 L CA 1.365 56.138 54.840 -0.112 0.000 0.752 239 L CB -0.656 41.343 42.059 -0.099 0.000 0.896 239 L HN 0.279 nan 8.230 nan 0.000 0.433 240 A N 0.029 122.796 122.820 -0.088 0.000 1.873 240 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 240 A C 2.269 179.817 177.584 -0.061 0.000 1.186 240 A CA 1.106 53.104 52.037 -0.066 0.000 0.616 240 A CB -0.336 18.627 19.000 -0.062 0.000 0.823 240 A HN 0.327 nan 8.150 nan 0.000 0.442 241 R N -1.254 119.200 120.500 -0.077 0.000 2.276 241 R HA 0.023 4.362 4.340 -0.000 0.000 0.203 241 R C 0.190 176.453 176.300 -0.061 0.000 1.017 241 R CA 0.738 56.797 56.100 -0.067 0.000 1.010 241 R CB -0.041 30.209 30.300 -0.083 0.000 0.900 241 R HN 0.512 nan 8.270 nan 0.000 0.469 242 Q N 0.359 120.111 119.800 -0.079 0.000 2.444 242 Q HA 0.087 4.427 4.340 -0.000 0.000 0.251 242 Q C -0.070 175.896 176.000 -0.057 0.000 0.939 242 Q CA -0.206 55.559 55.803 -0.062 0.000 0.740 242 Q CB 1.821 30.490 28.738 -0.115 0.000 1.308 242 Q HN -0.172 nan 8.270 nan 0.000 0.461 243 Q N 2.769 122.563 119.800 -0.011 0.000 2.167 243 Q HA 0.022 4.361 4.340 -0.000 0.000 0.202 243 Q C 0.693 176.696 176.000 0.006 0.000 0.970 243 Q CA 1.214 57.015 55.803 -0.004 0.000 0.855 243 Q CB 0.142 28.889 28.738 0.015 0.000 0.911 243 Q HN 0.721 nan 8.270 nan 0.000 0.438 244 L N 0.208 121.463 121.223 0.054 0.000 2.551 244 L HA 0.034 4.374 4.340 -0.000 0.000 0.228 244 L C 0.034 176.944 176.870 0.067 0.000 1.153 244 L CA 0.624 55.530 54.840 0.110 0.000 0.851 244 L CB -0.299 41.932 42.059 0.286 0.000 0.959 244 L HN 0.196 nan 8.230 nan 0.000 0.451 245 I N -0.357 120.155 120.570 -0.096 0.000 2.441 245 I HA 0.027 4.197 4.170 -0.000 0.000 0.287 245 I C 1.486 177.541 176.117 -0.103 0.000 1.049 245 I CA 0.310 61.483 61.300 -0.212 0.000 1.381 245 I CB 0.980 38.807 38.000 -0.288 0.000 1.409 245 I HN 0.253 nan 8.210 nan 0.000 0.523 246 E N 2.955 123.106 120.200 -0.081 0.000 2.162 246 E HA 0.017 4.366 4.350 -0.000 0.000 0.193 246 E C 0.095 176.671 176.600 -0.040 0.000 0.953 246 E CA 0.769 57.141 56.400 -0.047 0.000 0.849 246 E CB 0.590 30.271 29.700 -0.032 0.000 0.810 246 E HN 0.791 nan 8.360 nan 0.000 0.470 247 T N -1.737 112.793 114.554 -0.040 0.000 2.900 247 T HA 0.572 4.922 4.350 -0.000 0.000 0.303 247 T C -0.636 174.058 174.700 -0.009 0.000 1.142 247 T CA -0.882 61.206 62.100 -0.020 0.000 1.007 247 T CB 2.262 71.126 68.868 -0.007 0.000 1.156 247 T HN -0.184 nan 8.240 nan 0.000 0.490 248 V N 1.582 121.502 119.914 0.009 0.000 2.588 248 V HA 0.676 4.796 4.120 -0.000 0.000 0.304 248 V C -0.362 175.758 176.094 0.044 0.000 1.042 248 V CA -0.702 61.618 62.300 0.034 0.000 0.877 248 V CB 1.498 33.350 31.823 0.049 0.000 0.996 248 V HN 1.089 nan 8.190 nan 0.000 0.425 249 E N 3.364 123.555 120.200 -0.014 0.000 2.210 249 E HA 0.575 4.924 4.350 -0.000 0.000 0.266 249 E C -2.082 174.442 176.600 -0.126 0.000 0.883 249 E CA -0.566 55.830 56.400 -0.006 0.000 0.761 249 E CB 1.840 31.525 29.700 -0.025 0.000 1.156 249 E HN 0.605 nan 8.360 nan 0.000 0.412 250 Y N 1.608 121.928 120.300 0.032 0.000 2.429 250 Y HA 0.433 4.982 4.550 -0.000 0.000 0.342 250 Y C -0.249 175.660 175.900 0.016 0.000 1.004 250 Y CA -0.517 57.601 58.100 0.030 0.000 1.075 250 Y CB 2.534 41.010 38.460 0.027 0.000 1.214 250 Y HN 0.414 nan 8.280 nan 0.000 0.455 251 S N 4.538 120.319 115.700 0.135 0.000 2.756 251 S HA 0.583 5.053 4.470 -0.000 0.000 0.303 251 S C -1.712 172.937 174.600 0.081 0.000 1.135 251 S CA -0.616 57.632 58.200 0.080 0.000 1.066 251 S CB 0.125 63.340 63.200 0.023 0.000 1.008 251 S HN 0.561 nan 8.310 nan 0.000 0.482 252 L N 6.649 127.912 121.223 0.066 0.000 2.318 252 L HA 0.458 4.798 4.340 -0.000 0.000 0.277 252 L C -2.565 174.301 176.870 -0.007 0.000 1.008 252 L CA -1.938 52.923 54.840 0.035 0.000 0.846 252 L CB 1.809 43.889 42.059 0.036 0.000 1.220 252 L HN 0.438 nan 8.230 nan 0.000 0.423 253 P HA 0.191 nan 4.420 nan 0.000 0.273 253 P C -0.327 176.921 177.300 -0.087 0.000 1.531 253 P CA -0.418 62.653 63.100 -0.049 0.000 1.027 253 P CB 0.386 32.061 31.700 -0.043 0.000 1.387 254 N N 3.354 121.980 118.700 -0.125 0.000 2.329 254 N HA 0.015 4.755 4.740 -0.000 0.000 0.237 254 N C 0.001 175.303 175.510 -0.346 0.000 1.258 254 N CA 0.542 53.454 53.050 -0.231 0.000 0.866 254 N CB 0.660 38.956 38.487 -0.318 0.000 1.102 254 N HN 0.268 nan 8.380 nan 0.000 0.440 255 K N 2.320 122.522 120.400 -0.331 0.000 2.604 255 K HA 0.245 4.565 4.320 -0.000 0.000 0.247 255 K C -1.048 175.411 176.600 -0.235 0.000 0.956 255 K CA -0.664 55.460 56.287 -0.273 0.000 0.896 255 K CB 1.305 33.767 32.500 -0.063 0.000 1.131 255 K HN 0.473 nan 8.250 nan 0.000 0.440 256 H N 1.792 120.817 119.070 -0.074 0.000 2.582 256 H HA 0.146 4.701 4.556 -0.000 0.000 0.345 256 H C -0.685 174.491 175.328 -0.254 0.000 1.104 256 H CA 0.228 56.248 56.048 -0.048 0.000 1.390 256 H CB 0.563 30.282 29.762 -0.073 0.000 1.461 256 H HN 0.422 nan 8.280 nan 0.000 0.551 257 Y N 2.395 122.778 120.300 0.139 0.000 2.376 257 Y HA 0.166 4.716 4.550 -0.000 0.000 0.326 257 Y C -0.444 175.743 175.900 0.478 0.000 0.970 257 Y CA -0.631 57.560 58.100 0.152 0.000 1.248 257 Y CB 0.579 39.038 38.460 -0.001 0.000 1.117 257 Y HN 0.396 nan 8.280 nan 0.000 0.476 258 F N 1.845 121.989 119.950 0.323 0.000 2.384 258 F HA 0.295 4.822 4.527 -0.000 0.000 0.338 258 F C 0.825 176.846 175.800 0.367 0.000 1.103 258 F CA -1.621 56.558 58.000 0.298 0.000 1.157 258 F CB 0.881 39.971 39.000 0.150 0.000 1.167 258 F HN 0.437 nan 8.300 nan 0.000 0.529 259 E N 2.355 122.808 120.200 0.422 0.000 2.383 259 E HA 0.275 4.625 4.350 -0.000 0.000 0.264 259 E C -0.722 175.900 176.600 0.037 0.000 1.050 259 E CA -0.130 56.288 56.400 0.029 0.000 0.896 259 E CB 0.954 30.661 29.700 0.012 0.000 0.982 259 E HN 0.359 nan 8.360 nan 0.000 0.424 260 I N 2.629 123.154 120.570 -0.075 0.000 2.354 260 I HA 0.098 4.268 4.170 -0.000 0.000 0.286 260 I C -0.306 175.823 176.117 0.020 0.000 1.007 260 I CA -0.774 60.540 61.300 0.023 0.000 1.167 260 I CB 1.232 39.261 38.000 0.049 0.000 1.320 260 I HN 0.385 nan 8.210 nan 0.000 0.458 261 D N 7.233 127.684 120.400 0.086 0.000 2.339 261 D HA 0.191 4.830 4.640 -0.000 0.000 0.256 261 D C 0.174 176.597 176.300 0.205 0.000 1.214 261 D CA 0.281 54.349 54.000 0.114 0.000 0.877 261 D CB 0.996 41.878 40.800 0.138 0.000 1.111 261 D HN 0.478 nan 8.370 nan 0.000 0.478 262 L N 2.998 124.246 121.223 0.042 0.000 3.014 262 L HA 0.071 4.411 4.340 -0.000 0.000 0.263 262 L C 1.810 178.428 176.870 -0.420 0.000 1.207 262 L CA -0.087 54.633 54.840 -0.201 0.000 1.017 262 L CB 0.135 42.073 42.059 -0.201 0.000 1.360 262 L HN 0.399 nan 8.230 nan 0.000 0.560 263 S N -0.388 115.241 115.700 -0.118 0.000 2.515 263 S HA -0.131 4.339 4.470 -0.000 0.000 0.231 263 S C 1.613 176.189 174.600 -0.039 0.000 0.987 263 S CA 0.003 58.163 58.200 -0.066 0.000 0.936 263 S CB -0.386 62.828 63.200 0.023 0.000 0.766 263 S HN 0.686 nan 8.310 nan 0.000 0.528 264 W N 1.463 122.793 121.300 0.050 0.000 2.699 264 W HA 0.246 4.906 4.660 -0.000 0.000 0.249 264 W C 0.537 177.095 176.519 0.064 0.000 1.280 264 W CA 0.149 57.522 57.345 0.046 0.000 1.345 264 W CB -1.061 28.429 29.460 0.049 0.000 1.128 264 W HN 0.489 nan 8.180 nan 0.000 0.642 265 H N 1.812 120.455 119.070 -0.712 0.000 2.683 265 H HA 0.258 4.814 4.556 -0.000 0.000 0.270 265 H C 0.481 175.610 175.328 -0.332 0.000 1.201 265 H CA -0.552 55.121 56.048 -0.626 0.000 1.277 265 H CB -0.153 28.940 29.762 -1.114 0.000 1.400 265 H HN -0.020 nan 8.280 nan 0.000 0.504 266 K N 3.400 123.555 120.400 -0.408 0.000 3.088 266 K HA -0.219 4.101 4.320 -0.000 0.000 0.273 266 K C 0.891 177.406 176.600 -0.141 0.000 1.111 266 K CA 0.727 56.857 56.287 -0.262 0.000 0.803 266 K CB -1.613 30.707 32.500 -0.299 0.000 1.226 266 K HN 1.057 nan 8.250 nan 0.000 0.485 267 G N -0.046 108.685 108.800 -0.116 0.000 2.168 267 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.257 267 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.257 267 G C 0.050 174.907 174.900 -0.072 0.000 0.997 267 G CA 0.090 45.148 45.100 -0.071 0.000 0.708 267 G HN 0.195 nan 8.290 nan 0.000 0.520 268 L N 0.677 121.841 121.223 -0.099 0.000 2.601 268 L HA 0.224 4.564 4.340 -0.000 0.000 0.277 268 L C 0.526 177.354 176.870 -0.072 0.000 1.219 268 L CA 0.478 55.268 54.840 -0.084 0.000 0.915 268 L CB 0.491 42.479 42.059 -0.118 0.000 1.160 268 L HN 0.313 nan 8.230 nan 0.000 0.494 269 Q N 4.246 124.017 119.800 -0.048 0.000 2.340 269 Q HA 0.262 4.601 4.340 -0.000 0.000 0.259 269 Q C -0.047 175.930 176.000 -0.038 0.000 0.964 269 Q CA -0.029 55.754 55.803 -0.033 0.000 0.900 269 Q CB 1.083 29.810 28.738 -0.019 0.000 1.228 269 Q HN 0.535 nan 8.270 nan 0.000 0.449 270 N N 0.781 119.453 118.700 -0.047 0.000 2.286 270 N HA 0.014 4.754 4.740 -0.000 0.000 0.245 270 N C -1.220 174.228 175.510 -0.103 0.000 1.363 270 N CA 0.119 53.122 53.050 -0.079 0.000 0.822 270 N CB 0.884 39.314 38.487 -0.095 0.000 1.345 270 N HN 0.513 nan 8.380 nan 0.000 0.494 271 T N -3.891 110.635 114.554 -0.047 0.000 2.942 271 T HA 0.772 5.121 4.350 -0.000 0.000 0.289 271 T C 1.089 175.802 174.700 0.021 0.000 1.044 271 T CA -0.142 61.943 62.100 -0.024 0.000 1.023 271 T CB 1.546 70.418 68.868 0.006 0.000 1.123 271 T HN 0.207 nan 8.240 nan 0.000 0.512 272 G N 1.588 110.426 108.800 0.063 0.000 2.672 272 G HA2 -0.404 3.555 3.960 -0.000 0.000 0.324 272 G HA3 -0.404 3.555 3.960 -0.000 0.000 0.324 272 G C 0.841 175.804 174.900 0.104 0.000 1.286 272 G CA 0.958 46.118 45.100 0.101 0.000 1.004 272 G HN 0.982 nan 8.290 nan 0.000 0.548 273 K N 0.726 121.176 120.400 0.083 0.000 2.286 273 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 273 K C 2.140 178.778 176.600 0.064 0.000 1.045 273 K CA 1.830 58.162 56.287 0.074 0.000 0.935 273 K CB -0.245 32.285 32.500 0.049 0.000 0.737 273 K HN 0.519 nan 8.250 nan 0.000 0.460 274 N N -0.334 118.393 118.700 0.045 0.000 2.280 274 N HA 0.099 4.839 4.740 -0.000 0.000 0.192 274 N C -0.568 174.950 175.510 0.013 0.000 1.109 274 N CA -0.112 52.954 53.050 0.027 0.000 0.855 274 N CB 0.712 39.203 38.487 0.008 0.000 0.974 274 N HN 0.058 nan 8.380 nan 0.000 0.482 275 A N 0.951 123.779 122.820 0.014 0.000 2.545 275 A HA 0.023 4.342 4.320 -0.000 0.000 0.253 275 A C 0.742 178.345 177.584 0.033 0.000 1.074 275 A CA 0.471 52.450 52.037 -0.095 0.000 0.760 275 A CB 0.190 19.113 19.000 -0.127 0.000 1.005 275 A HN 0.336 nan 8.150 nan 0.000 0.506 276 E N 1.426 121.604 120.200 -0.038 0.000 2.441 276 E HA 0.140 4.489 4.350 -0.000 0.000 0.207 276 E C -0.658 176.055 176.600 0.188 0.000 0.803 276 E CA 0.129 56.607 56.400 0.131 0.000 1.240 276 E CB 0.846 30.588 29.700 0.070 0.000 1.233 276 E HN 0.492 nan 8.360 nan 0.000 0.590 277 V N 2.441 122.353 119.914 -0.002 0.000 2.370 277 V HA 0.357 4.477 4.120 -0.000 0.000 0.283 277 V C -0.843 175.231 176.094 -0.032 0.000 1.023 277 V CA -0.299 62.046 62.300 0.075 0.000 0.857 277 V CB 0.572 32.413 31.823 0.030 0.000 0.985 277 V HN 0.047 nan 8.190 nan 0.000 0.443 278 F N 2.105 122.141 119.950 0.144 0.000 2.579 278 F HA 0.800 5.327 4.527 -0.000 0.000 0.324 278 F C 0.417 176.318 175.800 0.168 0.000 1.058 278 F CA -0.897 57.220 58.000 0.194 0.000 0.944 278 F CB 1.872 41.041 39.000 0.282 0.000 1.245 278 F HN 0.469 nan 8.300 nan 0.000 0.477 279 A N 2.776 125.794 122.820 0.331 0.000 2.256 279 A HA 0.694 5.014 4.320 -0.000 0.000 0.317 279 A C -2.758 174.820 177.584 -0.010 0.000 1.318 279 A CA -1.738 50.386 52.037 0.146 0.000 0.894 279 A CB -0.070 19.000 19.000 0.116 0.000 1.165 279 A HN 0.341 nan 8.150 nan 0.000 0.525 280 P HA 0.170 nan 4.420 nan 0.000 0.271 280 P C -0.675 176.358 177.300 -0.445 0.000 1.220 280 P CA 0.082 62.812 63.100 -0.616 0.000 0.768 280 P CB 0.661 32.051 31.700 -0.517 0.000 0.848 281 Q N 1.568 121.042 119.800 -0.542 0.000 2.257 281 Q HA 0.246 4.586 4.340 -0.000 0.000 0.255 281 Q C 0.794 176.620 176.000 -0.289 0.000 0.920 281 Q CA -0.164 55.385 55.803 -0.423 0.000 0.927 281 Q CB 1.480 29.860 28.738 -0.598 0.000 1.229 281 Q HN 0.354 nan 8.270 nan 0.000 0.433 282 S N 1.511 117.096 115.700 -0.192 0.000 2.446 282 S HA -0.051 4.418 4.470 -0.000 0.000 0.225 282 S C -0.019 174.521 174.600 -0.101 0.000 1.016 282 S CA 1.000 59.121 58.200 -0.132 0.000 0.943 282 S CB 0.204 63.349 63.200 -0.092 0.000 0.786 282 S HN 0.785 nan 8.310 nan 0.000 0.508 283 D N -0.906 119.440 120.400 -0.090 0.000 2.683 283 D HA 0.407 5.047 4.640 -0.000 0.000 0.246 283 D C -3.067 173.213 176.300 -0.032 0.000 1.238 283 D CA -1.353 52.620 54.000 -0.045 0.000 0.759 283 D CB 0.327 41.108 40.800 -0.031 0.000 1.349 283 D HN -0.104 nan 8.370 nan 0.000 0.426 284 P HA 0.369 nan 4.420 nan 0.000 0.297 284 P C -0.983 176.368 177.300 0.084 0.000 1.303 284 P CA -0.623 62.497 63.100 0.035 0.000 0.753 284 P CB 0.333 32.059 31.700 0.044 0.000 1.281 285 N N -2.528 116.220 118.700 0.080 0.000 2.367 285 N HA 0.288 5.028 4.740 -0.000 0.000 0.278 285 N C -0.440 175.129 175.510 0.098 0.000 1.117 285 N CA -0.696 52.408 53.050 0.090 0.000 0.867 285 N CB 1.485 39.938 38.487 -0.058 0.000 1.649 285 N HN 0.458 nan 8.380 nan 0.000 0.479 286 G N 0.322 109.232 108.800 0.183 0.000 2.442 286 G HA2 0.404 4.364 3.960 -0.000 0.000 0.249 286 G HA3 0.404 4.364 3.960 -0.000 0.000 0.249 286 G C -0.710 174.186 174.900 -0.007 0.000 1.263 286 G CA -0.263 44.888 45.100 0.086 0.000 0.846 286 G HN 0.513 nan 8.290 nan 0.000 0.555 287 L N 2.568 123.786 121.223 -0.008 0.000 2.376 287 L HA 0.724 5.063 4.340 -0.000 0.000 0.275 287 L C -0.964 175.900 176.870 -0.010 0.000 0.987 287 L CA -0.753 54.079 54.840 -0.014 0.000 0.828 287 L CB 1.673 43.727 42.059 -0.009 0.000 1.249 287 L HN 0.405 nan 8.230 nan 0.000 0.409 288 I N 4.944 125.511 120.570 -0.005 0.000 2.466 288 I HA 0.520 4.690 4.170 -0.000 0.000 0.289 288 I C -0.551 175.585 176.117 0.032 0.000 1.026 288 I CA -0.303 61.000 61.300 0.005 0.000 1.078 288 I CB 1.809 39.805 38.000 -0.007 0.000 1.249 288 I HN 0.518 nan 8.210 nan 0.000 0.429 289 K N 5.233 125.656 120.400 0.038 0.000 2.443 289 K HA 0.927 5.246 4.320 -0.000 0.000 0.251 289 K C -1.323 175.320 176.600 0.072 0.000 0.972 289 K CA -0.821 55.502 56.287 0.061 0.000 0.833 289 K CB 2.574 35.098 32.500 0.041 0.000 1.317 289 K HN 0.787 nan 8.250 nan 0.000 0.441 290 C N -1.623 117.738 119.300 0.102 0.000 3.284 290 C HA 0.630 5.090 4.460 -0.000 0.000 0.338 290 C C -0.972 174.084 174.990 0.110 0.000 1.237 290 C CA -0.734 58.346 59.018 0.103 0.000 1.276 290 C CB 1.240 29.055 27.740 0.125 0.000 1.601 290 C HN 0.756 nan 8.230 nan 0.000 0.494 291 T N 2.033 116.640 114.554 0.088 0.000 2.786 291 T HA 0.634 4.984 4.350 -0.000 0.000 0.283 291 T C -0.437 174.313 174.700 0.084 0.000 0.992 291 T CA -0.357 61.786 62.100 0.073 0.000 0.954 291 T CB 1.411 70.304 68.868 0.043 0.000 0.934 291 T HN 0.800 nan 8.240 nan 0.000 0.440 292 V N 2.947 122.907 119.914 0.077 0.000 2.417 292 V HA 0.812 4.932 4.120 -0.000 0.000 0.291 292 V C 0.711 176.820 176.094 0.024 0.000 1.024 292 V CA -0.455 61.882 62.300 0.061 0.000 0.861 292 V CB 1.581 33.406 31.823 0.004 0.000 0.985 292 V HN 1.038 nan 8.190 nan 0.000 0.436 293 G N 4.049 112.867 108.800 0.030 0.000 3.016 293 G HA2 0.665 4.625 3.960 -0.000 0.000 0.270 293 G HA3 0.665 4.625 3.960 -0.000 0.000 0.270 293 G C -0.800 174.104 174.900 0.006 0.000 1.352 293 G CA -1.039 44.068 45.100 0.011 0.000 1.060 293 G HN 0.578 nan 8.290 nan 0.000 0.538 294 R N 0.103 120.603 120.500 0.000 0.000 2.404 294 R HA 0.471 4.811 4.340 -0.000 0.000 0.291 294 R C 0.561 176.869 176.300 0.013 0.000 1.025 294 R CA -0.306 55.794 56.100 0.000 0.000 0.991 294 R CB 1.364 31.659 30.300 -0.009 0.000 1.053 294 R HN 0.554 nan 8.270 nan 0.000 0.479 295 S N 0.000 115.711 115.700 0.018 0.000 2.498 295 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 295 S CA 0.000 58.214 58.200 0.023 0.000 1.107 295 S CB 0.000 63.214 63.200 0.023 0.000 0.593 295 S HN 0.000 nan 8.310 nan 0.000 0.517