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 1szp_1_F DATA FIRST_RESID 80 DATA SEQUENCE MVPIEKLQVN GITMADVKKL RESGLHTAEA VAYAPRKDLL EIKGISEAKA DATA SEQUENCE DKLLNEAARL VPMGFVTAAD FHMRRSELIC LTTGSKNLDT LLGGGVETGS DATA SEQUENCE ITELFGEFRT GKSQLCHTLA VTCQIPLDIG GGEGKCLYID TEGTFRPVRL DATA SEQUENCE VSIAQRFGLD PDDALNNVAY ARAYNADHQL RLLDAAAQMM SESRFSLIVV DATA SEQUENCE DSVMALYRTD XXXXXELSAR QMHLAKFMRA LQRLADQFGV AVVVTNQVXX DATA SEQUENCE XXXXXXXXXX XXXXXTGGNI MAHSSTTRLG FKKGKGCQRL CKVVDSPCLP DATA SEQUENCE EAECVFAIYE DGVGDP 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 80 M HA 0.000 nan 4.480 nan 0.000 0.227 80 M C 0.000 176.329 176.300 0.048 0.000 1.140 80 M CA 0.000 55.345 55.300 0.075 0.000 0.988 80 M CB 0.000 32.698 32.600 0.163 0.000 1.302 81 V N 6.719 126.639 119.914 0.011 0.000 2.350 81 V HA 0.493 4.614 4.120 0.000 0.000 0.285 81 V C -2.158 173.948 176.094 0.021 0.000 1.014 81 V CA -1.499 60.807 62.300 0.010 0.000 0.831 81 V CB 1.695 33.506 31.823 -0.019 0.000 1.000 81 V HN 0.564 nan 8.190 nan 0.000 0.433 82 P HA 0.233 nan 4.420 nan 0.000 0.269 82 P C 1.214 178.537 177.300 0.039 0.000 1.209 82 P CA 0.001 63.139 63.100 0.063 0.000 0.776 82 P CB 0.852 32.593 31.700 0.068 0.000 0.876 83 I N 1.578 122.177 120.570 0.048 0.000 2.454 83 I HA -0.256 3.915 4.170 0.000 0.000 0.254 83 I C 1.737 177.867 176.117 0.022 0.000 1.156 83 I CA 1.442 62.758 61.300 0.026 0.000 1.433 83 I CB -0.560 37.460 38.000 0.033 0.000 1.082 83 I HN 0.527 nan 8.210 nan 0.000 0.432 84 E N 1.282 121.502 120.200 0.033 0.000 2.253 84 E HA -0.308 4.042 4.350 0.000 0.000 0.202 84 E C 2.334 178.943 176.600 0.015 0.000 1.014 84 E CA 1.796 58.212 56.400 0.025 0.000 0.823 84 E CB -0.389 29.329 29.700 0.030 0.000 0.736 84 E HN 0.613 nan 8.360 nan 0.000 0.478 85 K N 1.248 121.655 120.400 0.011 0.000 2.365 85 K HA 0.031 4.351 4.320 0.000 0.000 0.199 85 K C 1.802 178.400 176.600 -0.004 0.000 1.045 85 K CA 0.744 57.033 56.287 0.004 0.000 0.962 85 K CB -0.695 31.807 32.500 0.003 0.000 0.759 85 K HN 0.122 nan 8.250 nan 0.000 0.469 86 L N 0.599 121.818 121.223 -0.006 0.000 2.552 86 L HA 0.008 4.348 4.340 0.000 0.000 0.227 86 L C 0.881 177.747 176.870 -0.007 0.000 1.146 86 L CA 0.171 55.004 54.840 -0.012 0.000 0.858 86 L CB -0.220 41.829 42.059 -0.017 0.000 0.969 86 L HN 0.452 nan 8.230 nan 0.000 0.451 87 Q N 1.002 120.801 119.800 -0.002 0.000 2.641 87 Q HA 0.296 4.636 4.340 0.000 0.000 0.225 87 Q C -0.653 175.346 176.000 -0.001 0.000 1.309 87 Q CA 0.035 55.838 55.803 -0.000 0.000 0.935 87 Q CB 0.851 29.592 28.738 0.004 0.000 1.557 87 Q HN 0.099 nan 8.270 nan 0.000 0.563 88 V N 1.915 121.827 119.914 -0.004 0.000 3.258 88 V HA 0.217 4.337 4.120 0.000 0.000 0.299 88 V C -0.283 175.808 176.094 -0.005 0.000 1.376 88 V CA -0.543 61.754 62.300 -0.004 0.000 1.063 88 V CB 2.237 34.057 31.823 -0.004 0.000 1.103 88 V HN 0.936 nan 8.190 nan 0.000 0.451 89 N N 1.543 120.240 118.700 -0.004 0.000 2.666 89 N HA -0.226 4.514 4.740 0.000 0.000 0.248 89 N C 0.814 176.321 175.510 -0.005 0.000 1.118 89 N CA 1.611 54.658 53.050 -0.004 0.000 0.722 89 N CB -0.778 37.705 38.487 -0.006 0.000 1.050 89 N HN 1.742 nan 8.380 nan 0.000 0.550 90 G N -1.624 107.173 108.800 -0.004 0.000 2.296 90 G HA2 -0.197 3.764 3.960 0.000 0.000 0.188 90 G HA3 -0.197 3.764 3.960 0.000 0.000 0.188 90 G C 0.044 174.941 174.900 -0.004 0.000 1.000 90 G CA -0.040 45.057 45.100 -0.004 0.000 0.672 90 G HN 0.278 nan 8.290 nan 0.000 0.483 91 I N 3.388 123.955 120.570 -0.005 0.000 2.396 91 I HA 0.440 4.610 4.170 0.000 0.000 0.289 91 I C 1.079 177.194 176.117 -0.003 0.000 1.056 91 I CA 0.281 61.578 61.300 -0.005 0.000 1.365 91 I CB 1.392 39.388 38.000 -0.008 0.000 1.407 91 I HN 0.265 nan 8.210 nan 0.000 0.509 92 T N 2.868 117.421 114.554 -0.002 0.000 2.907 92 T HA 0.266 4.616 4.350 0.000 0.000 0.284 92 T C 1.018 175.719 174.700 0.003 0.000 1.004 92 T CA -0.853 61.247 62.100 0.001 0.000 1.063 92 T CB 1.343 70.212 68.868 0.001 0.000 0.992 92 T HN 0.708 nan 8.240 nan 0.000 0.483 93 M N 1.534 121.137 119.600 0.006 0.000 2.337 93 M HA -0.112 4.368 4.480 0.000 0.000 0.261 93 M C 1.988 178.294 176.300 0.009 0.000 1.067 93 M CA 1.930 57.236 55.300 0.010 0.000 1.074 93 M CB -0.585 32.022 32.600 0.012 0.000 1.395 93 M HN 0.891 nan 8.290 nan 0.000 0.431 94 A N -0.101 122.722 122.820 0.006 0.000 1.975 94 A HA -0.093 4.227 4.320 0.000 0.000 0.215 94 A C 1.611 179.196 177.584 0.002 0.000 1.170 94 A CA 1.362 53.402 52.037 0.005 0.000 0.656 94 A CB -0.454 18.549 19.000 0.005 0.000 0.821 94 A HN 0.526 nan 8.150 nan 0.000 0.449 95 D N -0.017 120.382 120.400 -0.001 0.000 2.084 95 D HA -0.110 4.530 4.640 0.000 0.000 0.196 95 D C 2.108 178.404 176.300 -0.006 0.000 0.985 95 D CA 1.460 55.457 54.000 -0.005 0.000 0.826 95 D CB -0.465 40.331 40.800 -0.006 0.000 0.978 95 D HN 0.172 nan 8.370 nan 0.000 0.456 96 V N 1.425 121.337 119.914 -0.003 0.000 2.261 96 V HA -0.254 3.866 4.120 0.000 0.000 0.246 96 V C 2.558 178.650 176.094 -0.003 0.000 1.047 96 V CA 1.776 64.073 62.300 -0.004 0.000 1.015 96 V CB -0.453 31.372 31.823 0.004 0.000 0.642 96 V HN 0.198 nan 8.190 nan 0.000 0.446 97 K N 0.210 120.614 120.400 0.007 0.000 2.107 97 K HA -0.305 4.015 4.320 0.000 0.000 0.211 97 K C 2.115 178.715 176.600 -0.000 0.000 1.049 97 K CA 2.080 58.374 56.287 0.012 0.000 0.927 97 K CB -0.233 32.277 32.500 0.016 0.000 0.714 97 K HN 0.401 nan 8.250 nan 0.000 0.452 98 K N 0.301 120.697 120.400 -0.006 0.000 2.281 98 K HA -0.105 4.215 4.320 0.000 0.000 0.203 98 K C 1.983 178.568 176.600 -0.026 0.000 1.046 98 K CA 1.128 57.408 56.287 -0.012 0.000 0.938 98 K CB 0.001 32.495 32.500 -0.010 0.000 0.737 98 K HN 0.256 nan 8.250 nan 0.000 0.458 99 L N -0.295 120.906 121.223 -0.036 0.000 2.168 99 L HA -0.041 4.299 4.340 0.000 0.000 0.203 99 L C 2.304 179.107 176.870 -0.111 0.000 1.078 99 L CA 0.688 55.490 54.840 -0.065 0.000 0.780 99 L CB -0.311 41.710 42.059 -0.062 0.000 0.939 99 L HN 0.085 nan 8.230 nan 0.000 0.451 100 R N 0.847 121.289 120.500 -0.096 0.000 2.113 100 R HA -0.193 4.148 4.340 0.000 0.000 0.231 100 R C 1.979 178.205 176.300 -0.123 0.000 1.129 100 R CA 1.796 57.804 56.100 -0.152 0.000 0.915 100 R CB -0.495 29.831 30.300 0.044 0.000 0.837 100 R HN 0.361 nan 8.270 nan 0.000 0.430 101 E N 0.424 120.609 120.200 -0.025 0.000 2.448 101 E HA -0.175 4.175 4.350 0.000 0.000 0.203 101 E C 1.769 178.354 176.600 -0.024 0.000 1.046 101 E CA 0.969 57.367 56.400 -0.003 0.000 0.871 101 E CB -0.060 29.646 29.700 0.010 0.000 0.790 101 E HN 0.244 nan 8.360 nan 0.000 0.545 102 S N -1.270 114.395 115.700 -0.058 0.000 2.406 102 S HA 0.075 4.545 4.470 0.000 0.000 0.224 102 S C 1.401 175.957 174.600 -0.073 0.000 1.030 102 S CA 1.251 59.418 58.200 -0.056 0.000 0.958 102 S CB 0.439 63.603 63.200 -0.060 0.000 0.811 102 S HN 0.410 nan 8.310 nan 0.000 0.489 103 G N 0.536 109.248 108.800 -0.147 0.000 4.332 103 G HA2 0.021 3.981 3.960 0.000 0.000 0.198 103 G HA3 0.021 3.981 3.960 0.000 0.000 0.198 103 G C -0.340 174.365 174.900 -0.326 0.000 1.460 103 G CA -0.260 44.745 45.100 -0.159 0.000 0.900 103 G HN 0.408 nan 8.290 nan 0.000 0.325 104 L N 1.758 122.827 121.223 -0.257 0.000 2.554 104 L HA 0.273 4.613 4.340 0.000 0.000 0.293 104 L C 1.042 177.633 176.870 -0.465 0.000 1.252 104 L CA 0.415 55.113 54.840 -0.236 0.000 0.862 104 L CB 0.149 42.125 42.059 -0.139 0.000 1.113 104 L HN 0.349 nan 8.230 nan 0.000 0.510 105 H N -0.060 119.014 119.070 0.008 0.000 3.394 105 H HA 0.261 4.817 4.556 0.000 0.000 0.256 105 H C -0.725 174.611 175.328 0.014 0.000 1.180 105 H CA 0.022 56.093 56.048 0.038 0.000 1.064 105 H CB 1.142 30.965 29.762 0.103 0.000 1.854 105 H HN 0.659 nan 8.280 nan 0.000 0.731 106 T N -0.662 113.915 114.554 0.038 0.000 2.957 106 T HA 0.351 4.701 4.350 0.000 0.000 0.336 106 T C 1.187 175.846 174.700 -0.070 0.000 1.462 106 T CA -0.025 62.054 62.100 -0.034 0.000 1.073 106 T CB 2.128 70.898 68.868 -0.164 0.000 1.319 106 T HN 0.066 nan 8.240 nan 0.000 0.485 107 A N 1.542 124.320 122.820 -0.070 0.000 1.929 107 A HA -0.234 4.086 4.320 0.000 0.000 0.221 107 A C 2.015 179.500 177.584 -0.165 0.000 1.211 107 A CA 2.573 54.551 52.037 -0.099 0.000 0.657 107 A CB -0.753 18.193 19.000 -0.091 0.000 0.827 107 A HN 0.860 nan 8.150 nan 0.000 0.462 108 E N -0.248 119.837 120.200 -0.191 0.000 2.048 108 E HA -0.169 4.181 4.350 0.000 0.000 0.202 108 E C 2.330 178.799 176.600 -0.220 0.000 1.021 108 E CA 1.641 57.859 56.400 -0.303 0.000 0.825 108 E CB -0.803 28.854 29.700 -0.072 0.000 0.756 108 E HN 0.622 nan 8.360 nan 0.000 0.454 109 A N 0.484 123.264 122.820 -0.067 0.000 1.873 109 A HA -0.313 4.007 4.320 0.000 0.000 0.219 109 A C 2.546 180.106 177.584 -0.039 0.000 1.269 109 A CA 2.647 54.675 52.037 -0.015 0.000 0.671 109 A CB -1.303 17.673 19.000 -0.040 0.000 0.842 109 A HN 0.144 nan 8.150 nan 0.000 0.460 110 V N -0.185 119.685 119.914 -0.074 0.000 2.231 110 V HA -0.329 3.791 4.120 0.000 0.000 0.250 110 V C 3.075 179.111 176.094 -0.095 0.000 1.058 110 V CA 2.613 64.868 62.300 -0.074 0.000 1.022 110 V CB -1.661 30.116 31.823 -0.077 0.000 0.640 110 V HN 0.750 nan 8.190 nan 0.000 0.445 111 A N -0.695 122.017 122.820 -0.179 0.000 1.884 111 A HA -0.290 4.030 4.320 0.000 0.000 0.219 111 A C 2.052 179.527 177.584 -0.181 0.000 1.197 111 A CA 2.658 54.548 52.037 -0.245 0.000 0.637 111 A CB -0.947 17.795 19.000 -0.430 0.000 0.827 111 A HN 0.640 nan 8.150 nan 0.000 0.450 112 Y N -0.148 120.119 120.300 -0.056 0.000 2.373 112 Y HA 0.344 4.895 4.550 0.000 0.000 0.293 112 Y C 1.799 177.668 175.900 -0.051 0.000 1.129 112 Y CA -0.408 57.658 58.100 -0.057 0.000 1.226 112 Y CB -1.044 37.377 38.460 -0.064 0.000 1.000 112 Y HN 0.311 nan 8.280 nan 0.000 0.549 113 A N 2.482 125.344 122.820 0.069 0.000 2.584 113 A HA 0.116 4.437 4.320 0.000 0.000 0.239 113 A C -2.107 175.484 177.584 0.011 0.000 1.043 113 A CA -1.021 51.030 52.037 0.024 0.000 0.756 113 A CB -0.658 18.337 19.000 -0.008 0.000 0.963 113 A HN 0.074 nan 8.150 nan 0.000 0.511 114 P HA 0.372 nan 4.420 nan 0.000 0.272 114 P C 1.319 178.615 177.300 -0.007 0.000 1.240 114 P CA 0.283 63.383 63.100 -0.000 0.000 0.791 114 P CB 0.430 32.128 31.700 -0.003 0.000 0.978 115 R N 1.357 121.852 120.500 -0.008 0.000 2.062 115 R HA -0.048 4.292 4.340 0.000 0.000 0.229 115 R C 2.402 178.696 176.300 -0.011 0.000 1.128 115 R CA 2.462 58.556 56.100 -0.010 0.000 0.960 115 R CB -2.235 28.059 30.300 -0.009 0.000 0.855 115 R HN 0.534 nan 8.270 nan 0.000 0.432 116 K N 1.513 121.908 120.400 -0.009 0.000 2.015 116 K HA -0.272 4.048 4.320 0.000 0.000 0.216 116 K C 2.051 178.645 176.600 -0.010 0.000 1.052 116 K CA 2.239 58.521 56.287 -0.009 0.000 0.937 116 K CB -1.507 30.989 32.500 -0.007 0.000 0.719 116 K HN 0.678 nan 8.250 nan 0.000 0.446 117 D N 0.055 120.449 120.400 -0.010 0.000 2.362 117 D HA -0.109 4.531 4.640 0.000 0.000 0.215 117 D C 1.663 177.953 176.300 -0.017 0.000 0.978 117 D CA 1.276 55.269 54.000 -0.013 0.000 0.921 117 D CB -0.028 40.764 40.800 -0.013 0.000 0.895 117 D HN 0.546 nan 8.370 nan 0.000 0.494 118 L N -0.729 120.484 121.223 -0.017 0.000 2.200 118 L HA 0.056 4.396 4.340 0.000 0.000 0.200 118 L C 2.152 179.012 176.870 -0.016 0.000 1.072 118 L CA 0.195 55.024 54.840 -0.019 0.000 0.787 118 L CB -0.460 41.586 42.059 -0.021 0.000 0.957 118 L HN 0.039 nan 8.230 nan 0.000 0.459 119 L N 0.936 122.151 121.223 -0.013 0.000 2.197 119 L HA -0.255 4.085 4.340 0.000 0.000 0.215 119 L C 3.057 179.921 176.870 -0.010 0.000 1.095 119 L CA 1.816 56.649 54.840 -0.011 0.000 0.764 119 L CB -1.269 40.785 42.059 -0.009 0.000 0.897 119 L HN 0.472 nan 8.230 nan 0.000 0.436 120 E N 0.798 120.992 120.200 -0.010 0.000 2.274 120 E HA -0.015 4.336 4.350 0.000 0.000 0.194 120 E C 1.089 177.683 176.600 -0.009 0.000 0.996 120 E CA 0.393 56.788 56.400 -0.009 0.000 0.840 120 E CB -0.540 29.155 29.700 -0.008 0.000 0.772 120 E HN 0.521 nan 8.360 nan 0.000 0.491 121 I N 1.995 122.558 120.570 -0.012 0.000 2.581 121 I HA 0.242 4.412 4.170 0.000 0.000 0.285 121 I C 1.085 177.196 176.117 -0.010 0.000 1.129 121 I CA -0.041 61.251 61.300 -0.013 0.000 1.397 121 I CB 0.757 38.746 38.000 -0.018 0.000 1.399 121 I HN 0.316 nan 8.210 nan 0.000 0.537 122 K N 5.271 125.667 120.400 -0.008 0.000 2.440 122 K HA 0.299 4.619 4.320 0.000 0.000 0.275 122 K C 1.151 177.747 176.600 -0.006 0.000 1.082 122 K CA 0.598 56.882 56.287 -0.006 0.000 1.135 122 K CB -0.603 31.895 32.500 -0.004 0.000 0.864 122 K HN 1.090 nan 8.250 nan 0.000 0.479 123 G N 0.977 109.773 108.800 -0.006 0.000 2.259 123 G HA2 -0.150 3.810 3.960 0.000 0.000 0.217 123 G HA3 -0.150 3.810 3.960 0.000 0.000 0.217 123 G C 0.130 175.026 174.900 -0.007 0.000 1.001 123 G CA -0.046 45.051 45.100 -0.006 0.000 0.627 123 G HN 0.740 nan 8.290 nan 0.000 0.501 124 I N 3.439 124.003 120.570 -0.009 0.000 2.322 124 I HA 0.346 4.516 4.170 0.000 0.000 0.292 124 I C 1.300 177.411 176.117 -0.009 0.000 1.060 124 I CA -0.235 61.058 61.300 -0.010 0.000 1.309 124 I CB 0.437 38.429 38.000 -0.013 0.000 1.415 124 I HN 0.462 nan 8.210 nan 0.000 0.492 125 S N 4.030 119.725 115.700 -0.008 0.000 2.531 125 S HA 0.178 4.648 4.470 0.000 0.000 0.279 125 S C 1.391 175.986 174.600 -0.008 0.000 1.305 125 S CA 0.113 58.308 58.200 -0.007 0.000 1.058 125 S CB 1.144 64.340 63.200 -0.006 0.000 0.899 125 S HN 0.709 nan 8.310 nan 0.000 0.493 126 E N 2.933 123.129 120.200 -0.007 0.000 2.284 126 E HA -0.128 4.222 4.350 0.000 0.000 0.200 126 E C 1.992 178.587 176.600 -0.008 0.000 1.008 126 E CA 1.999 58.395 56.400 -0.008 0.000 0.829 126 E CB -1.089 28.607 29.700 -0.006 0.000 0.744 126 E HN 1.081 nan 8.360 nan 0.000 0.491 127 A N 0.129 122.945 122.820 -0.007 0.000 1.871 127 A HA 0.144 4.465 4.320 0.000 0.000 0.211 127 A C 2.244 179.823 177.584 -0.009 0.000 1.207 127 A CA 1.548 53.581 52.037 -0.007 0.000 0.620 127 A CB -0.147 18.850 19.000 -0.006 0.000 0.860 127 A HN 0.381 nan 8.150 nan 0.000 0.450 128 K N -0.009 120.386 120.400 -0.009 0.000 2.127 128 K HA -0.193 4.127 4.320 0.000 0.000 0.208 128 K C 2.018 178.610 176.600 -0.013 0.000 1.047 128 K CA 1.489 57.770 56.287 -0.010 0.000 0.927 128 K CB -0.285 32.209 32.500 -0.009 0.000 0.716 128 K HN 0.405 nan 8.250 nan 0.000 0.450 129 A N 1.282 124.094 122.820 -0.013 0.000 1.873 129 A HA -0.173 4.147 4.320 0.000 0.000 0.215 129 A C 1.682 179.256 177.584 -0.017 0.000 1.186 129 A CA 1.834 53.861 52.037 -0.016 0.000 0.616 129 A CB -0.573 18.418 19.000 -0.015 0.000 0.823 129 A HN 0.358 nan 8.150 nan 0.000 0.442 130 D N 0.114 120.506 120.400 -0.014 0.000 2.149 130 D HA -0.180 4.460 4.640 0.000 0.000 0.194 130 D C 2.277 178.568 176.300 -0.016 0.000 1.001 130 D CA 2.403 56.395 54.000 -0.014 0.000 0.849 130 D CB -0.425 40.369 40.800 -0.011 0.000 0.939 130 D HN 0.545 nan 8.370 nan 0.000 0.449 131 K N 0.805 121.196 120.400 -0.014 0.000 2.160 131 K HA -0.127 4.193 4.320 0.000 0.000 0.206 131 K C 2.316 178.904 176.600 -0.019 0.000 1.047 131 K CA 1.068 57.347 56.287 -0.015 0.000 0.930 131 K CB -0.906 31.587 32.500 -0.012 0.000 0.720 131 K HN 0.219 nan 8.250 nan 0.000 0.450 132 L N -0.586 120.624 121.223 -0.022 0.000 2.056 132 L HA 0.033 4.373 4.340 0.000 0.000 0.202 132 L C 3.233 180.081 176.870 -0.036 0.000 1.086 132 L CA 0.979 55.802 54.840 -0.029 0.000 0.758 132 L CB -0.880 41.161 42.059 -0.030 0.000 0.912 132 L HN 0.358 nan 8.230 nan 0.000 0.446 133 L N -0.204 120.997 121.223 -0.036 0.000 2.103 133 L HA -0.321 4.019 4.340 0.000 0.000 0.215 133 L C 2.132 178.976 176.870 -0.043 0.000 1.080 133 L CA 3.007 57.822 54.840 -0.043 0.000 0.764 133 L CB -2.053 39.986 42.059 -0.034 0.000 0.890 133 L HN 0.469 nan 8.230 nan 0.000 0.435 134 N N -1.283 117.397 118.700 -0.032 0.000 2.216 134 N HA -0.147 4.593 4.740 0.000 0.000 0.183 134 N C 1.892 177.384 175.510 -0.031 0.000 1.017 134 N CA 1.304 54.337 53.050 -0.028 0.000 0.861 134 N CB -0.034 38.442 38.487 -0.019 0.000 0.986 134 N HN 0.776 nan 8.380 nan 0.000 0.428 135 E N 0.437 120.618 120.200 -0.032 0.000 2.001 135 E HA 0.001 4.351 4.350 0.000 0.000 0.193 135 E C 1.855 178.428 176.600 -0.045 0.000 0.994 135 E CA 1.584 57.965 56.400 -0.032 0.000 0.815 135 E CB -0.803 28.880 29.700 -0.027 0.000 0.770 135 E HN 0.308 nan 8.360 nan 0.000 0.453 136 A N 1.239 124.024 122.820 -0.058 0.000 1.915 136 A HA -0.271 4.049 4.320 0.000 0.000 0.220 136 A C 2.507 180.035 177.584 -0.094 0.000 1.198 136 A CA 3.078 55.064 52.037 -0.084 0.000 0.647 136 A CB -1.533 17.400 19.000 -0.111 0.000 0.825 136 A HN 0.490 nan 8.150 nan 0.000 0.456 137 A N -1.130 121.638 122.820 -0.087 0.000 2.084 137 A HA -0.037 4.284 4.320 0.000 0.000 0.221 137 A C 2.344 179.894 177.584 -0.058 0.000 1.161 137 A CA 2.714 54.702 52.037 -0.081 0.000 0.653 137 A CB -0.861 18.104 19.000 -0.058 0.000 0.802 137 A HN 0.893 nan 8.150 nan 0.000 0.457 138 R N -0.509 119.963 120.500 -0.047 0.000 2.173 138 R HA 0.396 4.736 4.340 0.000 0.000 0.208 138 R C 1.860 178.140 176.300 -0.033 0.000 1.035 138 R CA 1.185 57.266 56.100 -0.031 0.000 1.004 138 R CB -1.049 29.237 30.300 -0.023 0.000 0.917 138 R HN 0.564 nan 8.270 nan 0.000 0.462 139 L N 0.032 121.227 121.223 -0.046 0.000 2.477 139 L HA 0.262 4.602 4.340 0.000 0.000 0.220 139 L C -0.441 176.394 176.870 -0.057 0.000 1.106 139 L CA 0.219 55.033 54.840 -0.044 0.000 0.851 139 L CB 0.756 42.789 42.059 -0.044 0.000 0.994 139 L HN 0.084 nan 8.230 nan 0.000 0.462 140 V N -1.148 118.716 119.914 -0.085 0.000 2.686 140 V HA 0.281 4.401 4.120 0.000 0.000 0.306 140 V C -1.595 174.443 176.094 -0.093 0.000 1.065 140 V CA -1.172 61.066 62.300 -0.104 0.000 0.894 140 V CB 1.852 33.547 31.823 -0.212 0.000 1.004 140 V HN -0.187 nan 8.190 nan 0.000 0.424 141 P HA -0.094 nan 4.420 nan 0.000 0.205 141 P C 0.743 178.028 177.300 -0.025 0.000 1.203 141 P CA 1.136 64.225 63.100 -0.018 0.000 0.926 141 P CB -0.005 31.704 31.700 0.015 0.000 0.767 142 M N -0.996 118.603 119.600 -0.002 0.000 2.253 142 M HA -0.137 4.343 4.480 0.000 0.000 0.195 142 M C 0.426 176.688 176.300 -0.063 0.000 0.512 142 M CA 0.605 55.900 55.300 -0.009 0.000 0.442 142 M CB -2.582 30.015 32.600 -0.006 0.000 1.189 142 M HN 0.282 nan 8.290 nan 0.000 0.923 143 G N -0.272 108.492 108.800 -0.060 0.000 3.211 143 G HA2 0.843 4.803 3.960 0.000 0.000 0.262 143 G HA3 0.843 4.803 3.960 0.000 0.000 0.262 143 G C -0.795 174.037 174.900 -0.114 0.000 1.352 143 G CA -0.948 44.120 45.100 -0.053 0.000 1.004 143 G HN 0.197 nan 8.290 nan 0.000 0.559 144 F N -0.756 119.190 119.950 -0.007 0.000 2.368 144 F HA 0.617 5.144 4.527 0.000 0.000 0.308 144 F C 0.859 176.660 175.800 0.003 0.000 1.198 144 F CA -0.037 57.954 58.000 -0.015 0.000 1.130 144 F CB 1.555 40.546 39.000 -0.015 0.000 1.300 144 F HN 0.367 nan 8.300 nan 0.000 0.537 145 V N -3.106 116.961 119.914 0.254 0.000 3.264 145 V HA 0.516 4.637 4.120 0.000 0.000 0.294 145 V C -0.473 175.717 176.094 0.160 0.000 1.429 145 V CA -1.009 61.391 62.300 0.167 0.000 1.053 145 V CB 0.819 32.732 31.823 0.150 0.000 1.128 145 V HN 0.920 nan 8.190 nan 0.000 0.452 146 T N 0.310 114.944 114.554 0.132 0.000 2.766 146 T HA 0.658 5.008 4.350 0.000 0.000 0.295 146 T C 1.337 176.130 174.700 0.155 0.000 1.024 146 T CA 0.666 62.835 62.100 0.116 0.000 1.018 146 T CB 1.374 70.295 68.868 0.089 0.000 1.002 146 T HN 1.916 nan 8.240 nan 0.000 0.532 147 A N 1.681 124.585 122.820 0.140 0.000 1.854 147 A HA 0.317 4.637 4.320 0.000 0.000 0.214 147 A C 2.753 180.479 177.584 0.237 0.000 1.192 147 A CA 1.633 53.783 52.037 0.189 0.000 0.611 147 A CB -1.600 17.479 19.000 0.132 0.000 0.832 147 A HN 1.308 nan 8.150 nan 0.000 0.442 148 A N 0.210 123.131 122.820 0.168 0.000 1.892 148 A HA -0.307 4.013 4.320 0.000 0.000 0.218 148 A C 1.938 179.626 177.584 0.173 0.000 1.188 148 A CA 2.265 54.406 52.037 0.173 0.000 0.631 148 A CB -0.855 18.217 19.000 0.120 0.000 0.822 148 A HN 0.555 nan 8.150 nan 0.000 0.447 149 D N -1.277 119.213 120.400 0.149 0.000 2.172 149 D HA -0.216 4.425 4.640 0.000 0.000 0.196 149 D C 1.666 178.067 176.300 0.167 0.000 0.999 149 D CA 1.767 55.845 54.000 0.130 0.000 0.856 149 D CB -0.283 40.593 40.800 0.126 0.000 0.934 149 D HN 0.400 nan 8.370 nan 0.000 0.453 150 F N 0.983 120.982 119.950 0.081 0.000 2.098 150 F HA -0.119 4.409 4.527 0.000 0.000 0.294 150 F C 2.379 178.243 175.800 0.106 0.000 1.107 150 F CA 1.774 59.822 58.000 0.081 0.000 1.234 150 F CB -1.185 37.862 39.000 0.079 0.000 1.002 150 F HN 0.034 nan 8.300 nan 0.000 0.472 151 H N 0.252 119.257 119.070 -0.110 0.000 2.520 151 H HA -0.218 4.338 4.556 0.000 0.000 0.295 151 H C 1.959 177.197 175.328 -0.150 0.000 1.096 151 H CA 2.396 58.327 56.048 -0.195 0.000 1.249 151 H CB -0.438 29.299 29.762 -0.042 0.000 1.365 151 H HN 0.344 nan 8.280 nan 0.000 0.556 152 M N 0.248 119.715 119.600 -0.223 0.000 2.153 152 M HA 0.008 4.488 4.480 0.000 0.000 0.257 152 M C 2.585 178.744 176.300 -0.235 0.000 1.107 152 M CA 1.884 57.035 55.300 -0.249 0.000 1.109 152 M CB -1.266 31.273 32.600 -0.101 0.000 1.240 152 M HN 0.371 nan 8.290 nan 0.000 0.436 153 R N 0.317 120.730 120.500 -0.145 0.000 2.279 153 R HA -0.307 4.033 4.340 0.000 0.000 0.264 153 R C 2.558 178.749 176.300 -0.182 0.000 1.138 153 R CA 3.201 59.227 56.100 -0.123 0.000 0.981 153 R CB -1.040 29.224 30.300 -0.060 0.000 0.909 153 R HN 0.807 nan 8.270 nan 0.000 0.462 154 R N 0.420 120.736 120.500 -0.306 0.000 2.081 154 R HA -0.083 4.257 4.340 0.000 0.000 0.235 154 R C 2.227 178.416 176.300 -0.185 0.000 1.131 154 R CA 2.021 57.952 56.100 -0.281 0.000 0.960 154 R CB -1.270 28.810 30.300 -0.367 0.000 0.856 154 R HN 0.383 nan 8.270 nan 0.000 0.436 155 S N 0.169 115.730 115.700 -0.231 0.000 2.371 155 S HA -0.015 4.455 4.470 0.000 0.000 0.224 155 S C 2.396 176.928 174.600 -0.113 0.000 1.029 155 S CA 1.056 59.153 58.200 -0.171 0.000 0.978 155 S CB -0.245 62.819 63.200 -0.227 0.000 0.833 155 S HN 0.855 nan 8.310 nan 0.000 0.466 156 E N 1.230 121.362 120.200 -0.113 0.000 2.510 156 E HA 0.329 4.679 4.350 0.000 0.000 0.202 156 E C 0.654 177.224 176.600 -0.049 0.000 1.072 156 E CA 0.953 57.312 56.400 -0.069 0.000 0.883 156 E CB -1.495 28.170 29.700 -0.059 0.000 0.818 156 E HN 0.663 nan 8.360 nan 0.000 0.548 157 L N 0.502 121.691 121.223 -0.056 0.000 2.350 157 L HA 0.689 5.029 4.340 0.000 0.000 0.275 157 L C 0.770 177.626 176.870 -0.023 0.000 1.099 157 L CA -0.770 54.048 54.840 -0.036 0.000 0.808 157 L CB 0.303 42.337 42.059 -0.041 0.000 1.149 157 L HN 0.375 nan 8.230 nan 0.000 0.442 158 I N 0.967 121.531 120.570 -0.010 0.000 2.813 158 I HA 0.283 4.453 4.170 0.000 0.000 0.287 158 I C 0.079 176.195 176.117 -0.003 0.000 1.196 158 I CA 0.089 61.386 61.300 -0.005 0.000 1.421 158 I CB 0.444 38.445 38.000 0.002 0.000 1.365 158 I HN 0.693 nan 8.210 nan 0.000 0.591 159 C N 6.836 126.135 119.300 -0.002 0.000 2.654 159 C HA 0.418 4.878 4.460 0.000 0.000 0.315 159 C C 0.251 175.241 174.990 -0.000 0.000 1.054 159 C CA -0.749 58.270 59.018 0.001 0.000 1.419 159 C CB -0.160 27.582 27.740 0.004 0.000 1.889 159 C HN 0.574 nan 8.230 nan 0.000 0.447 160 L N 1.878 123.098 121.223 -0.003 0.000 2.464 160 L HA 0.440 4.780 4.340 0.000 0.000 0.264 160 L C 0.873 177.737 176.870 -0.010 0.000 1.199 160 L CA 0.611 55.443 54.840 -0.014 0.000 0.818 160 L CB 0.569 42.616 42.059 -0.021 0.000 1.102 160 L HN 0.555 nan 8.230 nan 0.000 0.473 161 T N -1.221 113.320 114.554 -0.021 0.000 2.856 161 T HA 0.278 4.628 4.350 0.000 0.000 0.283 161 T C 0.927 175.622 174.700 -0.008 0.000 1.008 161 T CA -0.168 61.931 62.100 -0.002 0.000 0.997 161 T CB 1.379 70.259 68.868 0.020 0.000 0.992 161 T HN 0.816 nan 8.240 nan 0.000 0.454 162 T N 1.178 115.738 114.554 0.010 0.000 2.896 162 T HA 0.283 4.633 4.350 0.000 0.000 0.263 162 T C 1.644 176.364 174.700 0.033 0.000 1.050 162 T CA 1.066 63.166 62.100 -0.000 0.000 1.140 162 T CB -0.357 68.494 68.868 -0.028 0.000 0.877 162 T HN 1.435 nan 8.240 nan 0.000 0.457 163 G N 0.439 109.289 108.800 0.082 0.000 2.192 163 G HA2 -0.075 3.885 3.960 0.000 0.000 0.193 163 G HA3 -0.075 3.885 3.960 0.000 0.000 0.193 163 G C 0.160 175.124 174.900 0.107 0.000 0.999 163 G CA 0.166 45.362 45.100 0.160 0.000 0.659 163 G HN 1.253 nan 8.290 nan 0.000 0.503 164 S N -0.104 115.637 115.700 0.069 0.000 2.779 164 S HA 0.593 5.063 4.470 0.000 0.000 0.293 164 S C 1.218 175.855 174.600 0.061 0.000 1.150 164 S CA 0.275 58.517 58.200 0.071 0.000 1.057 164 S CB 1.318 64.560 63.200 0.070 0.000 1.021 164 S HN 0.285 nan 8.310 nan 0.000 0.485 165 K N 3.231 123.665 120.400 0.057 0.000 2.052 165 K HA -0.197 4.124 4.320 0.000 0.000 0.215 165 K C 1.742 178.370 176.600 0.047 0.000 1.053 165 K CA 2.223 58.538 56.287 0.046 0.000 0.934 165 K CB -0.275 32.248 32.500 0.038 0.000 0.717 165 K HN 0.632 nan 8.250 nan 0.000 0.450 166 N N 0.991 119.725 118.700 0.057 0.000 2.037 166 N HA -0.213 4.527 4.740 0.000 0.000 0.196 166 N C 1.836 177.380 175.510 0.058 0.000 1.034 166 N CA 1.236 54.321 53.050 0.059 0.000 0.861 166 N CB -0.425 38.110 38.487 0.080 0.000 1.039 166 N HN 0.042 nan 8.380 nan 0.000 0.427 167 L N 2.122 123.385 121.223 0.067 0.000 1.961 167 L HA -0.141 4.199 4.340 0.000 0.000 0.209 167 L C 1.720 178.609 176.870 0.031 0.000 1.075 167 L CA 1.798 56.666 54.840 0.047 0.000 0.749 167 L CB -0.988 41.077 42.059 0.010 0.000 0.890 167 L HN 0.041 nan 8.230 nan 0.000 0.433 168 D N -0.922 119.496 120.400 0.029 0.000 2.204 168 D HA -0.255 4.385 4.640 0.000 0.000 0.189 168 D C 1.983 178.299 176.300 0.027 0.000 1.006 168 D CA 2.212 56.228 54.000 0.027 0.000 0.855 168 D CB -0.731 40.087 40.800 0.031 0.000 0.946 168 D HN 0.345 nan 8.370 nan 0.000 0.448 169 T N 0.709 115.281 114.554 0.029 0.000 2.802 169 T HA -0.180 4.170 4.350 0.000 0.000 0.269 169 T C 1.773 176.487 174.700 0.024 0.000 1.062 169 T CA 0.641 62.756 62.100 0.026 0.000 1.133 169 T CB -0.235 68.649 68.868 0.026 0.000 0.852 169 T HN 0.031 nan 8.240 nan 0.000 0.485 170 L N 0.163 121.402 121.223 0.026 0.000 2.162 170 L HA 0.299 4.640 4.340 0.000 0.000 0.205 170 L C 1.825 178.709 176.870 0.024 0.000 1.086 170 L CA 1.337 56.190 54.840 0.023 0.000 0.778 170 L CB -0.331 41.740 42.059 0.020 0.000 0.928 170 L HN 0.231 nan 8.230 nan 0.000 0.446 171 L N -0.364 120.876 121.223 0.027 0.000 2.599 171 L HA 0.221 4.562 4.340 0.000 0.000 0.230 171 L C 1.264 178.150 176.870 0.027 0.000 1.141 171 L CA 0.577 55.435 54.840 0.030 0.000 0.877 171 L CB -0.696 41.382 42.059 0.032 0.000 1.009 171 L HN 0.503 nan 8.230 nan 0.000 0.447 172 G N -0.098 108.717 108.800 0.024 0.000 2.182 172 G HA2 -0.136 3.825 3.960 0.000 0.000 0.248 172 G HA3 -0.136 3.825 3.960 0.000 0.000 0.248 172 G C 0.763 175.675 174.900 0.019 0.000 1.042 172 G CA 0.181 45.294 45.100 0.022 0.000 0.775 172 G HN 0.624 nan 8.290 nan 0.000 0.501 173 G N -2.594 106.218 108.800 0.020 0.000 2.428 173 G HA2 0.527 4.487 3.960 0.000 0.000 0.199 173 G HA3 0.527 4.487 3.960 0.000 0.000 0.199 173 G C 1.396 176.307 174.900 0.018 0.000 1.005 173 G CA 0.943 46.054 45.100 0.018 0.000 0.671 173 G HN 2.825 nan 8.290 nan 0.000 0.485 174 G N -1.635 107.176 108.800 0.018 0.000 2.350 174 G HA2 0.512 4.472 3.960 0.000 0.000 0.282 174 G HA3 0.512 4.472 3.960 0.000 0.000 0.282 174 G C -0.212 174.699 174.900 0.019 0.000 1.314 174 G CA 0.455 45.565 45.100 0.017 0.000 0.915 174 G HN 1.803 nan 8.290 nan 0.000 0.499 175 V N -1.018 118.906 119.914 0.017 0.000 2.470 175 V HA 0.633 4.753 4.120 0.000 0.000 0.276 175 V C 0.512 176.616 176.094 0.015 0.000 1.040 175 V CA -0.105 62.207 62.300 0.020 0.000 1.008 175 V CB 1.083 32.916 31.823 0.016 0.000 0.990 175 V HN 0.835 nan 8.190 nan 0.000 0.477 176 E N 3.744 123.955 120.200 0.019 0.000 2.383 176 E HA 0.310 4.660 4.350 0.000 0.000 0.264 176 E C 0.550 177.159 176.600 0.015 0.000 1.050 176 E CA 0.021 56.430 56.400 0.015 0.000 0.896 176 E CB 0.935 30.646 29.700 0.018 0.000 0.982 176 E HN 1.053 nan 8.360 nan 0.000 0.424 177 T N 0.217 114.779 114.554 0.013 0.000 2.862 177 T HA 0.500 4.851 4.350 0.000 0.000 0.276 177 T C 1.131 175.843 174.700 0.020 0.000 0.974 177 T CA -0.016 62.095 62.100 0.018 0.000 0.966 177 T CB 1.430 70.311 68.868 0.022 0.000 1.072 177 T HN 0.707 nan 8.240 nan 0.000 0.538 178 G N 0.297 109.112 108.800 0.025 0.000 2.267 178 G HA2 -0.235 3.725 3.960 0.000 0.000 0.257 178 G HA3 -0.235 3.725 3.960 0.000 0.000 0.257 178 G C 0.289 175.197 174.900 0.013 0.000 0.998 178 G CA 0.759 45.873 45.100 0.023 0.000 0.620 178 G HN 1.835 nan 8.290 nan 0.000 0.529 179 S N -0.590 115.118 115.700 0.014 0.000 2.634 179 S HA 0.812 5.282 4.470 0.000 0.000 0.296 179 S C -0.099 174.505 174.600 0.007 0.000 1.104 179 S CA -0.940 57.266 58.200 0.010 0.000 0.920 179 S CB 2.328 65.541 63.200 0.021 0.000 1.111 179 S HN 0.605 nan 8.310 nan 0.000 0.493 180 I N 1.495 122.068 120.570 0.004 0.000 2.519 180 I HA 0.334 4.504 4.170 0.000 0.000 0.287 180 I C -0.093 176.039 176.117 0.025 0.000 1.047 180 I CA -0.081 61.222 61.300 0.006 0.000 1.381 180 I CB 1.531 39.530 38.000 -0.001 0.000 1.417 180 I HN 0.661 nan 8.210 nan 0.000 0.540 181 T N 5.024 119.595 114.554 0.029 0.000 2.949 181 T HA 0.176 4.526 4.350 0.000 0.000 0.300 181 T C -0.647 174.088 174.700 0.058 0.000 0.988 181 T CA -0.567 61.562 62.100 0.049 0.000 0.993 181 T CB 1.086 69.980 68.868 0.045 0.000 0.984 181 T HN 0.575 nan 8.240 nan 0.000 0.442 182 E N 4.318 124.576 120.200 0.098 0.000 2.174 182 E HA 0.480 4.830 4.350 0.000 0.000 0.282 182 E C -1.024 175.692 176.600 0.193 0.000 0.992 182 E CA -0.626 55.852 56.400 0.130 0.000 0.803 182 E CB 0.659 30.446 29.700 0.145 0.000 1.090 182 E HN 0.510 nan 8.360 nan 0.000 0.396 183 L N 6.859 128.153 121.223 0.119 0.000 2.316 183 L HA 0.486 4.826 4.340 0.000 0.000 0.280 183 L C -0.755 176.139 176.870 0.040 0.000 1.006 183 L CA -0.947 53.899 54.840 0.010 0.000 0.836 183 L CB 0.357 42.284 42.059 -0.220 0.000 1.221 183 L HN 0.517 nan 8.230 nan 0.000 0.418 184 F N 1.095 121.046 119.950 0.002 0.000 2.576 184 F HA 1.016 5.543 4.527 0.000 0.000 0.313 184 F C 0.018 175.864 175.800 0.077 0.000 1.078 184 F CA -0.711 57.293 58.000 0.006 0.000 0.921 184 F CB 2.192 41.196 39.000 0.007 0.000 1.232 184 F HN 0.489 nan 8.300 nan 0.000 0.459 185 G N 1.332 110.229 108.800 0.161 0.000 2.321 185 G HA2 0.284 4.244 3.960 0.000 0.000 0.298 185 G HA3 0.284 4.244 3.960 0.000 0.000 0.298 185 G C -1.944 172.998 174.900 0.070 0.000 1.385 185 G CA -1.087 44.068 45.100 0.092 0.000 0.856 185 G HN 0.819 nan 8.290 nan 0.000 0.584 186 E N -0.514 119.720 120.200 0.057 0.000 2.376 186 E HA 0.357 4.707 4.350 0.000 0.000 0.254 186 E C -0.178 176.488 176.600 0.110 0.000 1.213 186 E CA -0.380 56.025 56.400 0.008 0.000 0.945 186 E CB 1.113 30.828 29.700 0.024 0.000 1.057 186 E HN 0.345 nan 8.360 nan 0.000 0.479 187 F N 0.424 120.401 119.950 0.046 0.000 2.553 187 F HA -0.021 4.506 4.527 0.000 0.000 0.356 187 F C 1.313 177.137 175.800 0.041 0.000 1.142 187 F CA 0.045 58.069 58.000 0.041 0.000 1.322 187 F CB 0.333 39.355 39.000 0.036 0.000 1.126 187 F HN 0.404 nan 8.300 nan 0.000 0.599 188 R N 0.463 121.128 120.500 0.274 0.000 3.322 188 R HA -0.177 4.163 4.340 0.000 0.000 0.253 188 R C 0.290 176.673 176.300 0.137 0.000 0.987 188 R CA 0.777 56.965 56.100 0.147 0.000 0.666 188 R CB -2.142 28.212 30.300 0.089 0.000 1.072 188 R HN 0.785 nan 8.270 nan 0.000 0.447 189 T N -3.632 111.018 114.554 0.160 0.000 3.176 189 T HA 0.406 4.756 4.350 0.000 0.000 0.263 189 T C 1.174 176.027 174.700 0.255 0.000 1.021 189 T CA 0.271 62.469 62.100 0.163 0.000 0.905 189 T CB 1.372 70.340 68.868 0.167 0.000 1.057 189 T HN 0.625 nan 8.240 nan 0.000 0.558 190 G N 1.699 110.640 108.800 0.234 0.000 2.148 190 G HA2 -0.224 3.736 3.960 0.000 0.000 0.203 190 G HA3 -0.224 3.736 3.960 0.000 0.000 0.203 190 G C 0.711 175.740 174.900 0.216 0.000 0.993 190 G CA 0.164 45.473 45.100 0.348 0.000 0.661 190 G HN 0.521 nan 8.290 nan 0.000 0.518 191 K N 0.328 120.737 120.400 0.015 0.000 2.056 191 K HA 0.208 4.528 4.320 0.000 0.000 0.205 191 K C 2.547 179.140 176.600 -0.011 0.000 1.035 191 K CA 0.929 57.093 56.287 -0.204 0.000 0.955 191 K CB -0.539 31.802 32.500 -0.265 0.000 0.769 191 K HN 0.158 nan 8.250 nan 0.000 0.447 192 S N 1.275 117.024 115.700 0.082 0.000 2.390 192 S HA -0.244 4.226 4.470 0.000 0.000 0.234 192 S C 2.087 176.879 174.600 0.320 0.000 1.063 192 S CA 1.688 60.007 58.200 0.199 0.000 1.108 192 S CB -0.278 63.055 63.200 0.221 0.000 0.975 192 S HN 0.228 nan 8.310 nan 0.000 0.442 193 Q N 0.662 120.601 119.800 0.232 0.000 2.096 193 Q HA -0.155 4.185 4.340 0.000 0.000 0.208 193 Q C 2.295 178.433 176.000 0.231 0.000 0.993 193 Q CA 1.590 57.524 55.803 0.219 0.000 0.862 193 Q CB -1.063 27.764 28.738 0.148 0.000 0.915 193 Q HN 0.626 nan 8.270 nan 0.000 0.416 194 L N 0.196 121.498 121.223 0.131 0.000 1.976 194 L HA -0.226 4.114 4.340 0.000 0.000 0.209 194 L C 2.425 179.351 176.870 0.092 0.000 1.071 194 L CA 1.611 56.489 54.840 0.063 0.000 0.746 194 L CB -0.452 41.594 42.059 -0.021 0.000 0.890 194 L HN 0.272 nan 8.230 nan 0.000 0.432 195 C N 0.044 119.388 119.300 0.073 0.000 2.353 195 C HA -0.290 4.170 4.460 0.000 0.000 0.272 195 C C 2.401 177.452 174.990 0.103 0.000 1.165 195 C CA 1.455 60.501 59.018 0.047 0.000 1.786 195 C CB -1.767 25.964 27.740 -0.015 0.000 2.071 195 C HN 0.654 nan 8.230 nan 0.000 0.451 196 H N 0.461 119.652 119.070 0.203 0.000 2.252 196 H HA -0.140 4.416 4.556 0.000 0.000 0.292 196 H C 2.277 177.663 175.328 0.097 0.000 1.082 196 H CA 2.331 58.481 56.048 0.170 0.000 1.229 196 H CB -1.120 28.705 29.762 0.106 0.000 1.353 196 H HN 0.422 nan 8.280 nan 0.000 0.488 197 T N 1.315 116.002 114.554 0.220 0.000 2.450 197 T HA -0.290 4.060 4.350 0.000 0.000 0.250 197 T C 2.204 176.916 174.700 0.021 0.000 1.264 197 T CA 1.735 63.899 62.100 0.106 0.000 1.191 197 T CB -0.849 68.078 68.868 0.099 0.000 0.862 197 T HN 0.191 nan 8.240 nan 0.000 0.411 198 L N 0.714 121.947 121.223 0.018 0.000 2.198 198 L HA -0.301 4.039 4.340 0.000 0.000 0.218 198 L C 2.728 179.595 176.870 -0.004 0.000 1.084 198 L CA 1.475 56.308 54.840 -0.012 0.000 0.779 198 L CB -0.616 41.444 42.059 0.001 0.000 0.890 198 L HN 0.410 nan 8.230 nan 0.000 0.439 199 A N -1.734 121.115 122.820 0.049 0.000 2.225 199 A HA -0.031 4.289 4.320 0.000 0.000 0.215 199 A C 1.953 179.553 177.584 0.028 0.000 1.164 199 A CA 1.525 53.610 52.037 0.079 0.000 0.710 199 A CB -0.120 18.964 19.000 0.140 0.000 0.780 199 A HN 0.326 nan 8.150 nan 0.000 0.473 200 V N -1.609 118.283 119.914 -0.036 0.000 3.029 200 V HA -0.072 4.048 4.120 0.000 0.000 0.230 200 V C 2.379 178.342 176.094 -0.218 0.000 1.254 200 V CA 1.401 63.639 62.300 -0.103 0.000 1.276 200 V CB -0.410 31.348 31.823 -0.110 0.000 1.080 200 V HN 0.626 nan 8.190 nan 0.000 0.495 201 T N -0.426 113.926 114.554 -0.336 0.000 3.093 201 T HA -0.218 4.132 4.350 0.000 0.000 0.270 201 T C 1.512 176.100 174.700 -0.188 0.000 1.170 201 T CA 1.379 63.244 62.100 -0.390 0.000 1.072 201 T CB -1.345 67.282 68.868 -0.401 0.000 0.863 201 T HN 0.738 nan 8.240 nan 0.000 0.562 202 C N -0.573 118.656 119.300 -0.118 0.000 2.799 202 C HA 0.361 4.821 4.460 0.000 0.000 0.267 202 C C 2.137 177.090 174.990 -0.063 0.000 1.257 202 C CA -0.566 58.413 59.018 -0.065 0.000 1.702 202 C CB -0.805 26.919 27.740 -0.028 0.000 1.934 202 C HN 0.551 nan 8.230 nan 0.000 0.594 203 Q N 0.655 120.406 119.800 -0.082 0.000 2.384 203 Q HA 0.280 4.620 4.340 0.000 0.000 0.207 203 Q C 0.180 176.144 176.000 -0.061 0.000 0.904 203 Q CA 0.099 55.861 55.803 -0.069 0.000 0.933 203 Q CB 0.389 29.089 28.738 -0.064 0.000 1.077 203 Q HN 0.520 nan 8.270 nan 0.000 0.522 204 I N 2.617 123.138 120.570 -0.081 0.000 2.575 204 I HA 0.148 4.318 4.170 0.000 0.000 0.285 204 I C -2.154 173.947 176.117 -0.026 0.000 1.085 204 I CA -3.201 58.067 61.300 -0.054 0.000 1.403 204 I CB 0.049 37.990 38.000 -0.098 0.000 1.409 204 I HN -0.202 nan 8.210 nan 0.000 0.557 205 P HA 0.015 nan 4.420 nan 0.000 0.260 205 P C 1.137 178.440 177.300 0.004 0.000 1.172 205 P CA 0.204 63.305 63.100 0.002 0.000 0.760 205 P CB 0.373 32.080 31.700 0.013 0.000 0.773 206 L N 2.847 124.070 121.223 -0.001 0.000 2.123 206 L HA -0.306 4.034 4.340 0.000 0.000 0.217 206 L C 1.968 178.842 176.870 0.006 0.000 1.081 206 L CA 1.952 56.792 54.840 0.000 0.000 0.772 206 L CB -0.857 41.202 42.059 -0.001 0.000 0.890 206 L HN 0.515 nan 8.230 nan 0.000 0.437 207 D N 0.229 120.635 120.400 0.010 0.000 2.144 207 D HA -0.183 4.457 4.640 0.000 0.000 0.200 207 D C 2.084 178.396 176.300 0.021 0.000 0.978 207 D CA 1.397 55.405 54.000 0.013 0.000 0.833 207 D CB -0.250 40.557 40.800 0.012 0.000 0.961 207 D HN 0.471 nan 8.370 nan 0.000 0.470 208 I N -0.029 120.560 120.570 0.032 0.000 2.333 208 I HA 0.102 4.272 4.170 0.000 0.000 0.246 208 I C 2.230 178.378 176.117 0.052 0.000 1.106 208 I CA 1.421 62.752 61.300 0.052 0.000 1.411 208 I CB 0.039 38.089 38.000 0.082 0.000 1.082 208 I HN 0.308 nan 8.210 nan 0.000 0.420 209 G N -0.456 108.364 108.800 0.033 0.000 3.751 209 G HA2 -0.016 3.944 3.960 0.000 0.000 0.216 209 G HA3 -0.016 3.944 3.960 0.000 0.000 0.216 209 G C 0.696 175.589 174.900 -0.010 0.000 0.911 209 G CA -0.129 44.983 45.100 0.020 0.000 0.869 209 G HN 0.466 nan 8.290 nan 0.000 0.462 210 G N -0.206 108.580 108.800 -0.024 0.000 2.479 210 G HA2 0.477 4.437 3.960 0.000 0.000 0.275 210 G HA3 0.477 4.437 3.960 0.000 0.000 0.275 210 G C 1.057 175.941 174.900 -0.027 0.000 1.421 210 G CA 0.504 45.577 45.100 -0.044 0.000 1.059 210 G HN 1.214 nan 8.290 nan 0.000 0.535 211 G N -2.395 106.386 108.800 -0.030 0.000 3.342 211 G HA2 0.373 4.333 3.960 0.000 0.000 0.252 211 G HA3 0.373 4.333 3.960 0.000 0.000 0.252 211 G C 0.380 175.269 174.900 -0.018 0.000 1.011 211 G CA 0.715 45.805 45.100 -0.017 0.000 0.869 211 G HN 0.687 nan 8.290 nan 0.000 0.514 212 E N -1.218 118.964 120.200 -0.029 0.000 3.547 212 E HA -0.174 4.176 4.350 0.000 0.000 0.300 212 E C 1.037 177.609 176.600 -0.046 0.000 0.857 212 E CA 0.360 56.740 56.400 -0.033 0.000 1.039 212 E CB -1.224 28.463 29.700 -0.021 0.000 1.524 212 E HN 0.548 nan 8.360 nan 0.000 0.457 213 G N 0.103 108.876 108.800 -0.046 0.000 2.491 213 G HA2 0.489 4.449 3.960 0.000 0.000 0.327 213 G HA3 0.489 4.449 3.960 0.000 0.000 0.327 213 G C 0.008 174.836 174.900 -0.120 0.000 1.189 213 G CA -0.675 44.381 45.100 -0.073 0.000 0.956 213 G HN -0.090 nan 8.290 nan 0.000 0.491 214 K N -1.452 118.790 120.400 -0.263 0.000 2.614 214 K HA 0.400 4.720 4.320 0.000 0.000 0.275 214 K C -0.502 176.052 176.600 -0.076 0.000 1.055 214 K CA -0.075 56.013 56.287 -0.332 0.000 0.961 214 K CB 0.550 32.525 32.500 -0.875 0.000 1.220 214 K HN 0.443 nan 8.250 nan 0.000 0.491 215 C N 0.764 120.095 119.300 0.052 0.000 2.811 215 C HA 0.444 4.904 4.460 0.000 0.000 0.352 215 C C -1.340 173.840 174.990 0.317 0.000 1.098 215 C CA -0.885 58.273 59.018 0.233 0.000 1.295 215 C CB 0.207 28.023 27.740 0.126 0.000 1.758 215 C HN 0.673 nan 8.230 nan 0.000 0.488 216 L N 5.807 127.182 121.223 0.252 0.000 2.257 216 L HA 0.577 4.917 4.340 0.000 0.000 0.290 216 L C -1.201 175.701 176.870 0.053 0.000 1.044 216 L CA -0.099 54.786 54.840 0.074 0.000 0.810 216 L CB 0.703 42.659 42.059 -0.172 0.000 1.193 216 L HN 0.795 nan 8.230 nan 0.000 0.425 217 Y N 5.816 126.066 120.300 -0.084 0.000 2.326 217 Y HA 0.533 5.083 4.550 0.000 0.000 0.329 217 Y C -0.744 175.030 175.900 -0.209 0.000 0.973 217 Y CA -0.708 57.306 58.100 -0.143 0.000 1.162 217 Y CB 1.224 39.565 38.460 -0.200 0.000 1.147 217 Y HN 0.412 nan 8.280 nan 0.000 0.456 218 I N 5.634 126.092 120.570 -0.186 0.000 2.328 218 I HA 0.165 4.335 4.170 0.000 0.000 0.287 218 I C -0.986 175.011 176.117 -0.200 0.000 1.012 218 I CA -0.487 60.690 61.300 -0.204 0.000 1.195 218 I CB 1.151 39.050 38.000 -0.168 0.000 1.350 218 I HN 0.610 nan 8.210 nan 0.000 0.464 219 D N 3.977 124.290 120.400 -0.145 0.000 2.329 219 D HA 0.185 4.825 4.640 0.000 0.000 0.232 219 D C 1.093 177.346 176.300 -0.079 0.000 1.088 219 D CA -0.295 53.708 54.000 0.005 0.000 0.835 219 D CB 1.276 42.225 40.800 0.249 0.000 1.078 219 D HN 0.616 nan 8.370 nan 0.000 0.495 220 T N 0.726 115.250 114.554 -0.050 0.000 2.983 220 T HA -0.026 4.324 4.350 0.000 0.000 0.250 220 T C 1.373 176.072 174.700 -0.002 0.000 1.037 220 T CA 0.139 62.201 62.100 -0.064 0.000 1.142 220 T CB -0.049 68.782 68.868 -0.062 0.000 0.876 220 T HN 0.212 nan 8.240 nan 0.000 0.455 221 E N 2.194 122.423 120.200 0.048 0.000 2.012 221 E HA 0.098 4.448 4.350 0.000 0.000 0.197 221 E C 1.952 178.601 176.600 0.082 0.000 1.007 221 E CA 1.594 58.036 56.400 0.070 0.000 0.816 221 E CB -0.868 28.884 29.700 0.087 0.000 0.762 221 E HN 0.773 nan 8.360 nan 0.000 0.451 222 G N 0.269 109.147 108.800 0.129 0.000 2.173 222 G HA2 -0.190 3.770 3.960 0.000 0.000 0.142 222 G HA3 -0.190 3.770 3.960 0.000 0.000 0.142 222 G C 0.671 175.667 174.900 0.160 0.000 1.019 222 G CA 0.560 45.751 45.100 0.153 0.000 0.699 222 G HN 0.334 nan 8.290 nan 0.000 0.495 223 T N -1.612 113.048 114.554 0.177 0.000 3.273 223 T HA 0.551 4.901 4.350 0.000 0.000 0.254 223 T C 0.140 174.967 174.700 0.213 0.000 1.002 223 T CA -0.542 61.644 62.100 0.144 0.000 0.913 223 T CB -0.213 68.721 68.868 0.110 0.000 1.056 223 T HN 0.550 nan 8.240 nan 0.000 0.576 224 F N 2.548 122.537 119.950 0.066 0.000 2.391 224 F HA 0.652 5.179 4.527 0.000 0.000 0.359 224 F C 0.309 176.015 175.800 -0.158 0.000 1.122 224 F CA -1.106 56.870 58.000 -0.039 0.000 1.120 224 F CB 0.505 39.394 39.000 -0.184 0.000 1.142 224 F HN 0.271 nan 8.300 nan 0.000 0.483 225 R N 6.296 126.375 120.500 -0.701 0.000 2.409 225 R HA 0.497 4.837 4.340 0.000 0.000 0.313 225 R C -2.659 173.176 176.300 -0.776 0.000 0.953 225 R CA -1.679 54.063 56.100 -0.597 0.000 0.849 225 R CB 0.128 30.249 30.300 -0.298 0.000 1.171 225 R HN 0.491 nan 8.270 nan 0.000 0.458 226 P HA -0.120 nan 4.420 nan 0.000 0.214 226 P C 1.485 178.617 177.300 -0.280 0.000 1.162 226 P CA 1.202 64.025 63.100 -0.461 0.000 0.874 226 P CB 0.112 31.672 31.700 -0.234 0.000 0.784 227 V N 0.171 119.955 119.914 -0.216 0.000 2.295 227 V HA -0.347 3.773 4.120 0.000 0.000 0.262 227 V C 2.191 178.198 176.094 -0.144 0.000 1.098 227 V CA 2.286 64.496 62.300 -0.150 0.000 1.095 227 V CB -1.382 30.360 31.823 -0.135 0.000 0.704 227 V HN 0.140 nan 8.190 nan 0.000 0.454 228 R N -0.710 119.671 120.500 -0.199 0.000 2.346 228 R HA 0.160 4.500 4.340 0.000 0.000 0.208 228 R C 1.607 177.835 176.300 -0.121 0.000 1.052 228 R CA 0.291 56.285 56.100 -0.177 0.000 1.116 228 R CB -0.139 30.003 30.300 -0.264 0.000 1.003 228 R HN 0.564 nan 8.270 nan 0.000 0.482 229 L N -1.190 119.983 121.223 -0.083 0.000 2.537 229 L HA 0.021 4.362 4.340 0.000 0.000 0.224 229 L C 2.057 178.933 176.870 0.009 0.000 1.065 229 L CA 0.058 54.894 54.840 -0.007 0.000 0.860 229 L CB 0.115 42.181 42.059 0.011 0.000 1.086 229 L HN 0.071 nan 8.230 nan 0.000 0.482 230 V N -2.339 117.566 119.914 -0.014 0.000 2.214 230 V HA -0.291 3.829 4.120 0.000 0.000 0.247 230 V C 2.404 178.507 176.094 0.015 0.000 1.051 230 V CA 2.258 64.557 62.300 -0.001 0.000 1.003 230 V CB -1.430 30.382 31.823 -0.018 0.000 0.635 230 V HN 0.416 nan 8.190 nan 0.000 0.447 231 S N 1.467 117.168 115.700 0.002 0.000 2.409 231 S HA -0.247 4.223 4.470 0.000 0.000 0.237 231 S C 1.822 176.448 174.600 0.043 0.000 1.060 231 S CA 2.533 60.739 58.200 0.010 0.000 1.052 231 S CB -0.871 62.326 63.200 -0.004 0.000 0.871 231 S HN 0.723 nan 8.310 nan 0.000 0.465 232 I N 1.376 121.991 120.570 0.074 0.000 2.429 232 I HA -0.015 4.156 4.170 0.000 0.000 0.247 232 I C 2.846 179.102 176.117 0.232 0.000 1.099 232 I CA 0.816 62.212 61.300 0.159 0.000 1.422 232 I CB -0.781 37.310 38.000 0.152 0.000 1.112 232 I HN 0.296 nan 8.210 nan 0.000 0.430 233 A N 0.848 123.754 122.820 0.143 0.000 1.883 233 A HA -0.283 4.037 4.320 0.000 0.000 0.217 233 A C 2.281 179.952 177.584 0.145 0.000 1.186 233 A CA 1.825 53.944 52.037 0.136 0.000 0.624 233 A CB -0.781 18.260 19.000 0.068 0.000 0.822 233 A HN 0.464 nan 8.150 nan 0.000 0.444 234 Q N -1.140 118.711 119.800 0.085 0.000 2.045 234 Q HA -0.256 4.084 4.340 0.000 0.000 0.206 234 Q C 2.359 178.377 176.000 0.029 0.000 0.991 234 Q CA 1.873 57.704 55.803 0.046 0.000 0.851 234 Q CB -0.287 28.460 28.738 0.015 0.000 0.911 234 Q HN 0.691 nan 8.270 nan 0.000 0.418 235 R N -0.253 120.257 120.500 0.016 0.000 2.226 235 R HA -0.177 4.163 4.340 0.000 0.000 0.246 235 R C 0.743 176.856 176.300 -0.313 0.000 1.161 235 R CA 1.315 57.331 56.100 -0.141 0.000 0.997 235 R CB 0.004 30.218 30.300 -0.142 0.000 0.870 235 R HN 0.225 nan 8.270 nan 0.000 0.465 236 F N -0.740 119.204 119.950 -0.010 0.000 2.688 236 F HA 0.338 4.865 4.527 0.000 0.000 0.310 236 F C 0.677 176.472 175.800 -0.008 0.000 1.098 236 F CA 0.322 58.317 58.000 -0.008 0.000 1.228 236 F CB 1.322 40.321 39.000 -0.002 0.000 1.042 236 F HN 0.122 nan 8.300 nan 0.000 0.557 237 G N 2.205 111.079 108.800 0.123 0.000 2.587 237 G HA2 -0.188 3.772 3.960 0.000 0.000 0.245 237 G HA3 -0.188 3.772 3.960 0.000 0.000 0.245 237 G C -0.993 173.947 174.900 0.067 0.000 0.959 237 G CA -0.388 44.754 45.100 0.069 0.000 1.268 237 G HN 0.299 nan 8.290 nan 0.000 0.448 238 L N 1.690 122.944 121.223 0.053 0.000 2.565 238 L HA 0.302 4.642 4.340 0.000 0.000 0.261 238 L C -0.534 176.349 176.870 0.022 0.000 0.932 238 L CA -1.242 53.620 54.840 0.036 0.000 0.878 238 L CB 1.883 43.966 42.059 0.040 0.000 1.333 238 L HN 0.266 nan 8.230 nan 0.000 0.409 239 D N 4.359 124.766 120.400 0.012 0.000 2.426 239 D HA 0.030 4.670 4.640 0.000 0.000 0.261 239 D C -1.673 174.631 176.300 0.006 0.000 1.245 239 D CA -0.800 53.203 54.000 0.006 0.000 0.917 239 D CB 1.445 42.245 40.800 0.001 0.000 1.123 239 D HN 0.223 nan 8.370 nan 0.000 0.508 240 P HA -0.199 nan 4.420 nan 0.000 0.208 240 P C 1.128 178.428 177.300 -0.001 0.000 1.180 240 P CA 1.109 64.212 63.100 0.004 0.000 0.935 240 P CB 0.066 31.767 31.700 0.001 0.000 0.785 241 D N -1.125 119.273 120.400 -0.004 0.000 2.397 241 D HA -0.237 4.403 4.640 0.000 0.000 0.219 241 D C 1.311 177.608 176.300 -0.004 0.000 0.975 241 D CA 1.124 55.120 54.000 -0.005 0.000 0.940 241 D CB -0.695 40.102 40.800 -0.006 0.000 0.884 241 D HN 0.269 nan 8.370 nan 0.000 0.505 242 D N 0.633 121.031 120.400 -0.004 0.000 2.338 242 D HA 0.038 4.678 4.640 0.000 0.000 0.224 242 D C 2.091 178.385 176.300 -0.010 0.000 0.967 242 D CA 1.057 55.052 54.000 -0.007 0.000 0.896 242 D CB 0.163 40.959 40.800 -0.007 0.000 1.028 242 D HN 0.155 nan 8.370 nan 0.000 0.493 243 A N 1.429 124.246 122.820 -0.005 0.000 1.908 243 A HA -0.106 4.214 4.320 0.000 0.000 0.218 243 A C 2.575 180.158 177.584 -0.002 0.000 1.181 243 A CA 1.086 53.120 52.037 -0.006 0.000 0.627 243 A CB -0.813 18.190 19.000 0.004 0.000 0.818 243 A HN 0.341 nan 8.150 nan 0.000 0.445 244 L N -0.488 120.737 121.223 0.004 0.000 2.017 244 L HA -0.160 4.181 4.340 0.000 0.000 0.208 244 L C 2.150 179.028 176.870 0.013 0.000 1.073 244 L CA 1.286 56.133 54.840 0.013 0.000 0.745 244 L CB -0.756 41.307 42.059 0.006 0.000 0.894 244 L HN 0.396 nan 8.230 nan 0.000 0.432 245 N N 0.680 119.382 118.700 0.004 0.000 2.696 245 N HA -0.155 4.585 4.740 0.000 0.000 0.196 245 N C 0.613 176.114 175.510 -0.014 0.000 1.220 245 N CA 0.651 53.702 53.050 0.002 0.000 0.940 245 N CB -0.211 38.274 38.487 -0.003 0.000 0.999 245 N HN 0.264 nan 8.380 nan 0.000 0.447 246 N N -0.516 118.172 118.700 -0.020 0.000 2.328 246 N HA 0.167 4.907 4.740 0.000 0.000 0.247 246 N C -1.567 173.923 175.510 -0.033 0.000 1.165 246 N CA -0.022 52.996 53.050 -0.055 0.000 0.873 246 N CB 0.698 39.150 38.487 -0.060 0.000 1.125 246 N HN -0.205 nan 8.380 nan 0.000 0.513 247 V N 0.590 120.515 119.914 0.018 0.000 2.612 247 V HA 0.629 4.749 4.120 0.000 0.000 0.301 247 V C -0.718 175.445 176.094 0.115 0.000 1.059 247 V CA -1.253 61.089 62.300 0.071 0.000 0.886 247 V CB 1.572 33.439 31.823 0.074 0.000 1.007 247 V HN 0.163 nan 8.190 nan 0.000 0.426 248 A N 4.825 127.746 122.820 0.168 0.000 2.269 248 A HA 0.688 5.008 4.320 0.000 0.000 0.302 248 A C -1.084 176.581 177.584 0.134 0.000 1.266 248 A CA -0.202 51.928 52.037 0.155 0.000 0.894 248 A CB 0.141 19.248 19.000 0.178 0.000 1.147 248 A HN 0.904 nan 8.150 nan 0.000 0.537 249 Y N 2.652 122.933 120.300 -0.032 0.000 2.330 249 Y HA 0.572 5.122 4.550 0.000 0.000 0.336 249 Y C -0.037 175.816 175.900 -0.078 0.000 1.036 249 Y CA -0.725 57.307 58.100 -0.114 0.000 1.125 249 Y CB 1.337 39.702 38.460 -0.159 0.000 1.194 249 Y HN 0.845 nan 8.280 nan 0.000 0.469 250 A N 6.243 128.558 122.820 -0.842 0.000 2.359 250 A HA 0.691 5.011 4.320 0.000 0.000 0.303 250 A C -1.473 175.530 177.584 -0.969 0.000 1.066 250 A CA -0.934 50.667 52.037 -0.727 0.000 0.730 250 A CB 1.034 19.800 19.000 -0.389 0.000 1.211 250 A HN 0.731 nan 8.150 nan 0.000 0.439 251 R N 2.195 122.199 120.500 -0.827 0.000 2.265 251 R HA 0.699 5.039 4.340 0.000 0.000 0.328 251 R C -0.471 175.434 176.300 -0.657 0.000 0.969 251 R CA 0.214 55.912 56.100 -0.671 0.000 0.832 251 R CB 0.910 30.899 30.300 -0.517 0.000 1.139 251 R HN 0.975 nan 8.270 nan 0.000 0.457 252 A N 4.555 127.056 122.820 -0.532 0.000 2.290 252 A HA 0.400 4.721 4.320 0.000 0.000 0.310 252 A C -0.733 176.707 177.584 -0.240 0.000 1.202 252 A CA -0.586 51.168 52.037 -0.472 0.000 0.837 252 A CB 0.248 19.000 19.000 -0.412 0.000 1.139 252 A HN 0.925 nan 8.150 nan 0.000 0.509 253 Y N 1.305 121.708 120.300 0.170 0.000 2.481 253 Y HA 0.136 4.686 4.550 0.000 0.000 0.258 253 Y C 0.793 176.737 175.900 0.073 0.000 1.103 253 Y CA 0.459 58.628 58.100 0.116 0.000 1.287 253 Y CB 0.413 38.945 38.460 0.120 0.000 1.108 253 Y HN 0.828 nan 8.280 nan 0.000 0.529 254 N N -0.872 117.962 118.700 0.224 0.000 2.369 254 N HA 0.398 5.138 4.740 0.000 0.000 0.287 254 N C 0.319 175.855 175.510 0.042 0.000 1.067 254 N CA -0.050 53.065 53.050 0.108 0.000 0.888 254 N CB 1.339 39.883 38.487 0.095 0.000 1.616 254 N HN -0.009 nan 8.380 nan 0.000 0.482 255 A N 1.555 124.356 122.820 -0.032 0.000 1.954 255 A HA -0.341 3.979 4.320 0.000 0.000 0.222 255 A C 1.597 179.133 177.584 -0.080 0.000 1.199 255 A CA 2.252 54.228 52.037 -0.101 0.000 0.657 255 A CB -1.017 17.898 19.000 -0.141 0.000 0.823 255 A HN 0.909 nan 8.150 nan 0.000 0.463 256 D N -1.779 118.596 120.400 -0.041 0.000 2.087 256 D HA -0.231 4.410 4.640 0.000 0.000 0.210 256 D C 1.699 178.045 176.300 0.078 0.000 0.973 256 D CA 1.476 55.476 54.000 0.000 0.000 0.882 256 D CB -0.709 40.091 40.800 0.001 0.000 1.019 256 D HN 0.665 nan 8.370 nan 0.000 0.450 257 H N 0.473 119.543 119.070 0.001 0.000 2.329 257 H HA -0.299 4.257 4.556 0.000 0.000 0.272 257 H C 2.197 177.534 175.328 0.014 0.000 1.156 257 H CA 2.322 58.380 56.048 0.018 0.000 1.146 257 H CB -0.210 29.577 29.762 0.042 0.000 1.396 257 H HN 0.322 nan 8.280 nan 0.000 0.480 258 Q N -0.396 119.351 119.800 -0.088 0.000 2.344 258 Q HA -0.204 4.137 4.340 0.000 0.000 0.212 258 Q C 2.113 178.160 176.000 0.080 0.000 0.991 258 Q CA 1.742 57.473 55.803 -0.120 0.000 0.897 258 Q CB 0.010 28.612 28.738 -0.225 0.000 0.915 258 Q HN 0.447 nan 8.270 nan 0.000 0.438 259 L N -0.750 120.546 121.223 0.121 0.000 2.388 259 L HA 0.093 4.433 4.340 0.000 0.000 0.209 259 L C 2.013 178.953 176.870 0.115 0.000 1.061 259 L CA 1.083 56.035 54.840 0.188 0.000 0.834 259 L CB -0.222 41.950 42.059 0.189 0.000 1.029 259 L HN -0.042 nan 8.230 nan 0.000 0.473 260 R N -0.654 119.915 120.500 0.114 0.000 2.105 260 R HA -0.129 4.211 4.340 0.000 0.000 0.239 260 R C 2.123 178.479 176.300 0.093 0.000 1.135 260 R CA 1.717 57.889 56.100 0.120 0.000 0.967 260 R CB -0.319 30.091 30.300 0.184 0.000 0.861 260 R HN 0.358 nan 8.270 nan 0.000 0.442 261 L N 0.425 121.679 121.223 0.052 0.000 1.988 261 L HA -0.217 4.123 4.340 0.000 0.000 0.207 261 L C 2.436 179.292 176.870 -0.022 0.000 1.071 261 L CA 1.252 56.084 54.840 -0.014 0.000 0.744 261 L CB -0.644 41.339 42.059 -0.126 0.000 0.893 261 L HN 0.249 nan 8.230 nan 0.000 0.433 262 L N -0.045 121.173 121.223 -0.009 0.000 2.113 262 L HA -0.367 3.973 4.340 0.000 0.000 0.221 262 L C 2.212 179.071 176.870 -0.017 0.000 1.084 262 L CA 1.910 56.728 54.840 -0.037 0.000 0.787 262 L CB -0.657 41.376 42.059 -0.043 0.000 0.893 262 L HN 0.423 nan 8.230 nan 0.000 0.440 263 D N -0.373 120.047 120.400 0.034 0.000 2.077 263 D HA -0.152 4.488 4.640 0.000 0.000 0.197 263 D C 2.107 178.420 176.300 0.023 0.000 0.983 263 D CA 1.413 55.468 54.000 0.092 0.000 0.841 263 D CB -0.067 40.810 40.800 0.127 0.000 0.992 263 D HN 0.233 nan 8.370 nan 0.000 0.450 264 A N 0.029 122.855 122.820 0.011 0.000 2.148 264 A HA -0.097 4.224 4.320 0.000 0.000 0.222 264 A C 2.087 179.601 177.584 -0.117 0.000 1.161 264 A CA 2.104 54.115 52.037 -0.042 0.000 0.662 264 A CB -0.883 18.112 19.000 -0.008 0.000 0.799 264 A HN 0.354 nan 8.150 nan 0.000 0.466 265 A N -1.574 121.162 122.820 -0.140 0.000 2.275 265 A HA 0.562 4.882 4.320 0.000 0.000 0.212 265 A C 2.011 179.404 177.584 -0.319 0.000 1.201 265 A CA 1.125 53.019 52.037 -0.239 0.000 0.843 265 A CB -0.357 18.501 19.000 -0.236 0.000 0.873 265 A HN 0.859 nan 8.150 nan 0.000 0.492 266 A N -1.022 121.650 122.820 -0.248 0.000 1.942 266 A HA 0.098 4.418 4.320 0.000 0.000 0.209 266 A C 1.960 179.339 177.584 -0.341 0.000 1.214 266 A CA 1.241 53.154 52.037 -0.207 0.000 0.686 266 A CB -0.333 18.679 19.000 0.020 0.000 0.871 266 A HN 0.386 nan 8.150 nan 0.000 0.460 267 Q N -0.182 119.325 119.800 -0.488 0.000 2.217 267 Q HA -0.176 4.165 4.340 0.000 0.000 0.209 267 Q C 1.842 177.722 176.000 -0.200 0.000 0.988 267 Q CA 2.242 57.821 55.803 -0.373 0.000 0.878 267 Q CB -0.497 28.100 28.738 -0.236 0.000 0.909 267 Q HN 0.742 nan 8.270 nan 0.000 0.424 268 M N -1.650 117.816 119.600 -0.224 0.000 2.155 268 M HA -0.006 4.474 4.480 0.000 0.000 0.258 268 M C 1.919 178.133 176.300 -0.144 0.000 1.092 268 M CA 1.064 56.278 55.300 -0.143 0.000 1.153 268 M CB -0.215 32.280 32.600 -0.174 0.000 1.316 268 M HN 0.157 nan 8.290 nan 0.000 0.431 269 M N -0.055 119.238 119.600 -0.511 0.000 2.610 269 M HA -0.176 4.304 4.480 0.000 0.000 0.257 269 M C 2.065 178.068 176.300 -0.495 0.000 1.070 269 M CA 0.963 55.861 55.300 -0.671 0.000 1.047 269 M CB -0.754 30.934 32.600 -1.521 0.000 1.386 269 M HN 0.355 nan 8.290 nan 0.000 0.493 270 S N 0.293 115.890 115.700 -0.172 0.000 2.371 270 S HA -0.062 4.408 4.470 0.000 0.000 0.219 270 S C 1.752 176.398 174.600 0.076 0.000 1.040 270 S CA 0.556 58.819 58.200 0.104 0.000 0.958 270 S CB 0.163 63.424 63.200 0.102 0.000 0.860 270 S HN 0.380 nan 8.310 nan 0.000 0.487 271 E N 1.539 121.763 120.200 0.040 0.000 2.007 271 E HA -0.017 4.333 4.350 0.000 0.000 0.194 271 E C 1.385 178.014 176.600 0.050 0.000 0.999 271 E CA 0.921 57.349 56.400 0.046 0.000 0.811 271 E CB -0.787 28.934 29.700 0.035 0.000 0.762 271 E HN 0.462 nan 8.360 nan 0.000 0.450 272 S N -0.354 115.386 115.700 0.067 0.000 2.758 272 S HA 0.368 4.838 4.470 0.000 0.000 0.292 272 S C -0.116 174.515 174.600 0.052 0.000 1.131 272 S CA -0.785 57.428 58.200 0.021 0.000 0.997 272 S CB 1.587 64.746 63.200 -0.068 0.000 1.111 272 S HN 0.075 nan 8.310 nan 0.000 0.552 273 R N 1.515 121.993 120.500 -0.038 0.000 2.229 273 R HA 0.417 4.757 4.340 0.000 0.000 0.332 273 R C -1.692 174.560 176.300 -0.079 0.000 0.989 273 R CA -0.285 55.822 56.100 0.011 0.000 0.842 273 R CB 0.032 30.337 30.300 0.009 0.000 1.119 273 R HN 0.545 nan 8.270 nan 0.000 0.456 274 F N 1.601 121.495 119.950 -0.093 0.000 2.483 274 F HA 0.424 4.952 4.527 0.000 0.000 0.329 274 F C 1.428 177.198 175.800 -0.051 0.000 1.064 274 F CA -0.137 57.813 58.000 -0.083 0.000 0.986 274 F CB 2.068 40.992 39.000 -0.127 0.000 1.218 274 F HN 0.722 nan 8.300 nan 0.000 0.484 275 S N 1.046 116.827 115.700 0.135 0.000 2.524 275 S HA 0.505 4.975 4.470 0.000 0.000 0.222 275 S C -0.077 174.562 174.600 0.066 0.000 1.040 275 S CA 0.053 58.297 58.200 0.074 0.000 0.915 275 S CB 0.250 63.465 63.200 0.025 0.000 0.831 275 S HN 0.566 nan 8.310 nan 0.000 0.492 276 L N 0.103 121.376 121.223 0.083 0.000 2.556 276 L HA 0.680 5.020 4.340 0.000 0.000 0.257 276 L C -2.305 174.586 176.870 0.034 0.000 0.955 276 L CA -0.864 54.003 54.840 0.045 0.000 0.850 276 L CB 1.735 43.810 42.059 0.025 0.000 1.398 276 L HN 0.087 nan 8.230 nan 0.000 0.412 277 I N 3.857 124.416 120.570 -0.018 0.000 2.530 277 I HA 0.610 4.780 4.170 0.000 0.000 0.297 277 I C -0.980 175.079 176.117 -0.096 0.000 1.011 277 I CA -1.044 60.217 61.300 -0.064 0.000 1.107 277 I CB 2.130 40.073 38.000 -0.095 0.000 1.285 277 I HN 0.340 nan 8.210 nan 0.000 0.436 278 V N 6.466 126.282 119.914 -0.164 0.000 2.524 278 V HA 0.314 4.434 4.120 0.000 0.000 0.297 278 V C -0.393 175.483 176.094 -0.363 0.000 1.035 278 V CA -0.598 61.532 62.300 -0.283 0.000 0.867 278 V CB 2.235 33.788 31.823 -0.448 0.000 1.004 278 V HN 0.393 nan 8.190 nan 0.000 0.426 279 V N 3.766 123.547 119.914 -0.221 0.000 2.370 279 V HA 0.602 4.722 4.120 0.000 0.000 0.283 279 V C -0.648 175.338 176.094 -0.181 0.000 1.023 279 V CA -0.357 61.847 62.300 -0.160 0.000 0.857 279 V CB 1.777 33.620 31.823 0.034 0.000 0.985 279 V HN 0.983 nan 8.190 nan 0.000 0.443 280 D N 3.264 123.536 120.400 -0.213 0.000 2.602 280 D HA 0.407 5.047 4.640 0.000 0.000 0.245 280 D C -0.681 175.591 176.300 -0.047 0.000 1.325 280 D CA -0.117 53.808 54.000 -0.125 0.000 0.952 280 D CB 2.020 42.734 40.800 -0.145 0.000 1.317 280 D HN 0.546 nan 8.370 nan 0.000 0.577 281 S N 3.064 118.753 115.700 -0.018 0.000 2.472 281 S HA 0.339 4.809 4.470 0.000 0.000 0.303 281 S C 1.072 175.638 174.600 -0.056 0.000 1.099 281 S CA -0.718 57.470 58.200 -0.020 0.000 1.077 281 S CB 1.622 64.840 63.200 0.029 0.000 1.031 281 S HN 0.262 nan 8.310 nan 0.000 0.487 282 V N 3.971 123.853 119.914 -0.053 0.000 2.332 282 V HA -0.192 3.928 4.120 0.000 0.000 0.248 282 V C 2.886 178.911 176.094 -0.116 0.000 1.055 282 V CA 2.802 65.046 62.300 -0.093 0.000 1.038 282 V CB -0.964 30.872 31.823 0.023 0.000 0.651 282 V HN 1.012 nan 8.190 nan 0.000 0.450 283 M N -0.611 118.936 119.600 -0.087 0.000 2.804 283 M HA 0.478 4.958 4.480 0.000 0.000 0.208 283 M C 1.771 178.058 176.300 -0.023 0.000 1.109 283 M CA 1.310 56.541 55.300 -0.116 0.000 1.029 283 M CB -2.099 30.356 32.600 -0.242 0.000 1.806 283 M HN 0.458 nan 8.290 nan 0.000 0.491 284 A N -0.359 122.445 122.820 -0.027 0.000 2.067 284 A HA 0.123 4.443 4.320 0.000 0.000 0.219 284 A C 2.089 179.692 177.584 0.031 0.000 1.158 284 A CA 1.235 53.273 52.037 0.001 0.000 0.661 284 A CB -0.464 18.506 19.000 -0.049 0.000 0.801 284 A HN 0.755 nan 8.150 nan 0.000 0.452 285 L N -1.913 119.332 121.223 0.036 0.000 2.265 285 L HA -0.182 4.158 4.340 0.000 0.000 0.215 285 L C 2.092 179.042 176.870 0.133 0.000 1.117 285 L CA 0.984 55.850 54.840 0.043 0.000 0.782 285 L CB -0.413 41.678 42.059 0.052 0.000 0.914 285 L HN 0.460 nan 8.230 nan 0.000 0.441 286 Y N 0.162 120.435 120.300 -0.046 0.000 2.475 286 Y HA 0.029 4.579 4.550 0.000 0.000 0.289 286 Y C 1.976 177.865 175.900 -0.018 0.000 1.121 286 Y CA -0.047 58.038 58.100 -0.025 0.000 1.257 286 Y CB -0.539 37.905 38.460 -0.026 0.000 1.026 286 Y HN 0.092 nan 8.280 nan 0.000 0.555 287 R N 0.405 120.970 120.500 0.107 0.000 2.570 287 R HA 0.090 4.430 4.340 0.000 0.000 0.277 287 R C 1.370 177.681 176.300 0.018 0.000 1.039 287 R CA 0.771 56.908 56.100 0.061 0.000 1.065 287 R CB -1.058 29.273 30.300 0.053 0.000 0.964 287 R HN 0.328 nan 8.270 nan 0.000 0.428 288 T N 1.406 115.969 114.554 0.016 0.000 2.849 288 T HA -0.132 4.218 4.350 0.000 0.000 0.270 288 T C 0.755 175.451 174.700 -0.007 0.000 1.066 288 T CA 1.537 63.636 62.100 -0.003 0.000 1.130 288 T CB -0.286 68.586 68.868 0.005 0.000 0.864 288 T HN 0.916 nan 8.240 nan 0.000 0.481 296 L N 1.248 122.404 121.223 -0.111 0.000 3.370 296 L HA -0.394 3.946 4.340 0.000 0.000 0.202 296 L C 2.205 178.988 176.870 -0.145 0.000 4.089 296 L CA 4.686 59.427 54.840 -0.165 0.000 0.834 296 L CB -1.677 40.313 42.059 -0.114 0.000 3.243 296 L HN 1.218 nan 8.230 nan 0.000 0.493 297 S N -1.226 114.417 115.700 -0.094 0.000 2.320 297 S HA -0.424 4.046 4.470 0.000 0.000 0.320 297 S C 1.920 176.462 174.600 -0.096 0.000 1.090 297 S CA 3.800 61.951 58.200 -0.081 0.000 1.631 297 S CB -1.370 61.795 63.200 -0.058 0.000 1.389 297 S HN 1.294 nan 8.310 nan 0.000 0.474 298 A N 2.699 125.475 122.820 -0.073 0.000 1.916 298 A HA -0.325 3.995 4.320 0.000 0.000 0.224 298 A C 2.197 179.766 177.584 -0.025 0.000 1.366 298 A CA 2.654 54.657 52.037 -0.058 0.000 0.692 298 A CB -1.138 17.895 19.000 0.055 0.000 0.841 298 A HN 0.726 nan 8.150 nan 0.000 0.480 299 R N -1.609 118.868 120.500 -0.039 0.000 2.082 299 R HA -0.176 4.164 4.340 0.000 0.000 0.234 299 R C 2.756 178.984 176.300 -0.121 0.000 1.136 299 R CA 2.161 58.210 56.100 -0.085 0.000 0.935 299 R CB -1.491 28.569 30.300 -0.400 0.000 0.842 299 R HN 0.798 nan 8.270 nan 0.000 0.430 300 Q N 0.793 120.453 119.800 -0.233 0.000 2.197 300 Q HA -0.281 4.059 4.340 0.000 0.000 0.211 300 Q C 2.435 178.419 176.000 -0.027 0.000 0.993 300 Q CA 3.367 59.138 55.803 -0.052 0.000 0.883 300 Q CB -1.291 27.415 28.738 -0.054 0.000 0.916 300 Q HN 0.612 nan 8.270 nan 0.000 0.418 301 M N -0.210 119.330 119.600 -0.101 0.000 2.156 301 M HA -0.053 4.427 4.480 0.000 0.000 0.264 301 M C 2.168 178.373 176.300 -0.158 0.000 1.067 301 M CA 2.014 57.222 55.300 -0.153 0.000 1.131 301 M CB -1.454 31.003 32.600 -0.238 0.000 1.368 301 M HN 0.828 nan 8.290 nan 0.000 0.416 302 H N 0.020 119.095 119.070 0.009 0.000 2.352 302 H HA -0.099 4.457 4.556 0.000 0.000 0.299 302 H C 2.155 177.533 175.328 0.083 0.000 1.097 302 H CA 2.166 58.237 56.048 0.037 0.000 1.311 302 H CB -0.571 29.195 29.762 0.006 0.000 1.377 302 H HN 0.572 nan 8.280 nan 0.000 0.504 303 L N 0.897 122.234 121.223 0.191 0.000 2.456 303 L HA -0.011 4.330 4.340 0.000 0.000 0.224 303 L C 2.230 179.206 176.870 0.176 0.000 1.148 303 L CA 1.180 56.137 54.840 0.195 0.000 0.825 303 L CB -0.323 41.889 42.059 0.255 0.000 0.937 303 L HN 0.158 nan 8.230 nan 0.000 0.450 304 A N -0.424 122.464 122.820 0.113 0.000 1.862 304 A HA -0.104 4.216 4.320 0.000 0.000 0.211 304 A C 2.316 179.953 177.584 0.088 0.000 1.220 304 A CA 1.027 53.108 52.037 0.074 0.000 0.616 304 A CB -0.575 18.433 19.000 0.013 0.000 0.878 304 A HN 0.372 nan 8.150 nan 0.000 0.453 305 K N -1.608 118.837 120.400 0.076 0.000 2.242 305 K HA -0.223 4.097 4.320 0.000 0.000 0.206 305 K C 1.533 178.208 176.600 0.126 0.000 1.045 305 K CA 1.836 58.168 56.287 0.075 0.000 0.930 305 K CB -0.296 32.242 32.500 0.063 0.000 0.726 305 K HN 0.449 nan 8.250 nan 0.000 0.462 306 F N 0.528 120.496 119.950 0.031 0.000 2.092 306 F HA -0.096 4.431 4.527 0.000 0.000 0.286 306 F C 2.031 177.834 175.800 0.005 0.000 1.116 306 F CA 1.010 59.024 58.000 0.023 0.000 1.185 306 F CB -0.266 38.753 39.000 0.032 0.000 1.034 306 F HN -0.095 nan 8.300 nan 0.000 0.479 307 M N 0.629 120.323 119.600 0.156 0.000 2.252 307 M HA -0.282 4.198 4.480 0.000 0.000 0.255 307 M C 2.051 178.303 176.300 -0.081 0.000 1.085 307 M CA 1.620 56.927 55.300 0.012 0.000 1.059 307 M CB -1.403 31.245 32.600 0.081 0.000 1.375 307 M HN 0.245 nan 8.290 nan 0.000 0.409 308 R N -0.414 120.052 120.500 -0.057 0.000 2.064 308 R HA -0.025 4.315 4.340 0.000 0.000 0.228 308 R C 2.386 178.616 176.300 -0.117 0.000 1.144 308 R CA 1.456 57.517 56.100 -0.066 0.000 0.932 308 R CB -0.760 29.518 30.300 -0.037 0.000 0.833 308 R HN 0.401 nan 8.270 nan 0.000 0.429 309 A N 1.767 124.503 122.820 -0.141 0.000 1.909 309 A HA -0.252 4.069 4.320 0.000 0.000 0.221 309 A C 2.241 179.698 177.584 -0.212 0.000 1.223 309 A CA 1.725 53.662 52.037 -0.167 0.000 0.658 309 A CB -1.037 17.841 19.000 -0.204 0.000 0.831 309 A HN 0.252 nan 8.150 nan 0.000 0.462 310 L N -1.298 119.714 121.223 -0.352 0.000 1.978 310 L HA -0.335 4.005 4.340 0.000 0.000 0.218 310 L C 2.966 179.744 176.870 -0.155 0.000 1.075 310 L CA 2.272 56.935 54.840 -0.295 0.000 0.767 310 L CB -0.707 41.145 42.059 -0.345 0.000 0.890 310 L HN 0.620 nan 8.230 nan 0.000 0.434 311 Q N 0.369 120.091 119.800 -0.130 0.000 2.077 311 Q HA -0.245 4.095 4.340 0.000 0.000 0.206 311 Q C 2.149 178.095 176.000 -0.089 0.000 0.989 311 Q CA 1.824 57.574 55.803 -0.087 0.000 0.853 311 Q CB -0.269 28.425 28.738 -0.074 0.000 0.907 311 Q HN 0.221 nan 8.270 nan 0.000 0.418 312 R N -0.552 119.889 120.500 -0.099 0.000 2.103 312 R HA -0.155 4.185 4.340 0.000 0.000 0.234 312 R C 2.475 178.735 176.300 -0.067 0.000 1.132 312 R CA 1.972 58.014 56.100 -0.097 0.000 0.925 312 R CB -0.721 29.531 30.300 -0.080 0.000 0.842 312 R HN 0.378 nan 8.270 nan 0.000 0.430 313 L N 0.068 121.273 121.223 -0.030 0.000 2.103 313 L HA -0.300 4.040 4.340 0.000 0.000 0.215 313 L C 2.616 179.534 176.870 0.080 0.000 1.080 313 L CA 1.560 56.440 54.840 0.066 0.000 0.764 313 L CB -0.634 41.477 42.059 0.086 0.000 0.890 313 L HN 0.385 nan 8.230 nan 0.000 0.435 314 A N -0.466 122.361 122.820 0.013 0.000 1.930 314 A HA -0.204 4.116 4.320 0.000 0.000 0.217 314 A C 1.936 179.525 177.584 0.008 0.000 1.175 314 A CA 1.813 53.863 52.037 0.022 0.000 0.627 314 A CB -0.398 18.598 19.000 -0.007 0.000 0.815 314 A HN 0.397 nan 8.150 nan 0.000 0.443 315 D N -0.656 119.714 120.400 -0.050 0.000 2.078 315 D HA -0.197 4.443 4.640 0.000 0.000 0.193 315 D C 2.042 178.320 176.300 -0.037 0.000 0.990 315 D CA 1.697 55.645 54.000 -0.087 0.000 0.827 315 D CB -0.573 40.084 40.800 -0.239 0.000 0.975 315 D HN 0.645 nan 8.370 nan 0.000 0.451 316 Q N -1.126 118.620 119.800 -0.091 0.000 2.152 316 Q HA -0.164 4.177 4.340 0.000 0.000 0.206 316 Q C 0.902 176.653 176.000 -0.414 0.000 0.985 316 Q CA 1.386 57.022 55.803 -0.278 0.000 0.863 316 Q CB 0.064 28.545 28.738 -0.428 0.000 0.904 316 Q HN 0.212 nan 8.270 nan 0.000 0.422 317 F N -3.005 116.967 119.950 0.037 0.000 2.856 317 F HA 0.336 4.863 4.527 0.000 0.000 0.338 317 F C 1.226 177.046 175.800 0.035 0.000 1.100 317 F CA 0.426 58.446 58.000 0.033 0.000 1.150 317 F CB 1.265 40.271 39.000 0.010 0.000 1.101 317 F HN 0.141 nan 8.300 nan 0.000 0.548 318 G N 0.725 109.629 108.800 0.172 0.000 2.267 318 G HA2 -0.334 3.626 3.960 0.000 0.000 0.257 318 G HA3 -0.334 3.626 3.960 0.000 0.000 0.257 318 G C 0.693 175.653 174.900 0.100 0.000 0.998 318 G CA 0.349 45.516 45.100 0.112 0.000 0.620 318 G HN 0.561 nan 8.290 nan 0.000 0.529 319 V N -0.923 119.068 119.914 0.127 0.000 4.163 319 V HA 0.456 4.576 4.120 0.000 0.000 0.300 319 V C 0.827 176.949 176.094 0.047 0.000 1.057 319 V CA 0.817 63.165 62.300 0.081 0.000 1.164 319 V CB 0.450 32.309 31.823 0.061 0.000 1.159 319 V HN 2.154 nan 8.190 nan 0.000 0.475 320 A N 0.384 123.222 122.820 0.029 0.000 2.332 320 A HA 0.726 5.046 4.320 0.000 0.000 0.300 320 A C -0.751 176.831 177.584 -0.003 0.000 1.153 320 A CA -0.527 51.519 52.037 0.014 0.000 0.764 320 A CB 1.313 20.321 19.000 0.013 0.000 1.174 320 A HN 1.163 nan 8.150 nan 0.000 0.467 321 V N 3.029 122.936 119.914 -0.012 0.000 2.394 321 V HA 0.474 4.594 4.120 0.000 0.000 0.282 321 V C -0.302 175.778 176.094 -0.023 0.000 1.031 321 V CA -0.394 61.888 62.300 -0.030 0.000 0.881 321 V CB 1.457 33.255 31.823 -0.041 0.000 0.982 321 V HN 0.621 nan 8.190 nan 0.000 0.451 322 V N 5.938 125.829 119.914 -0.039 0.000 2.443 322 V HA 0.506 4.626 4.120 0.000 0.000 0.293 322 V C -0.411 175.650 176.094 -0.056 0.000 1.021 322 V CA -0.437 61.840 62.300 -0.038 0.000 0.848 322 V CB 2.073 33.866 31.823 -0.050 0.000 0.998 322 V HN 0.610 nan 8.190 nan 0.000 0.424 323 V N 4.182 124.082 119.914 -0.025 0.000 2.604 323 V HA 0.601 4.721 4.120 0.000 0.000 0.305 323 V C 0.286 176.372 176.094 -0.014 0.000 1.043 323 V CA -0.521 61.769 62.300 -0.016 0.000 0.888 323 V CB 2.567 34.408 31.823 0.030 0.000 0.995 323 V HN 0.968 nan 8.190 nan 0.000 0.429 324 T N 1.356 115.891 114.554 -0.031 0.000 2.928 324 T HA 0.505 4.855 4.350 0.000 0.000 0.284 324 T C -0.407 174.301 174.700 0.013 0.000 1.008 324 T CA -0.723 61.369 62.100 -0.015 0.000 1.057 324 T CB 1.360 70.215 68.868 -0.023 0.000 1.018 324 T HN 0.730 nan 8.240 nan 0.000 0.493 325 N N 1.520 120.249 118.700 0.048 0.000 2.430 325 N HA 0.155 4.895 4.740 0.000 0.000 0.290 325 N C -1.259 174.281 175.510 0.050 0.000 1.063 325 N CA -0.617 52.449 53.050 0.026 0.000 0.883 325 N CB 1.398 39.886 38.487 0.002 0.000 1.465 325 N HN 0.581 nan 8.380 nan 0.000 0.493 326 Q N 2.382 122.174 119.800 -0.014 0.000 2.307 326 Q HA 0.323 4.663 4.340 0.000 0.000 0.262 326 Q C 0.246 176.128 176.000 -0.197 0.000 0.961 326 Q CA -0.690 55.064 55.803 -0.082 0.000 0.882 326 Q CB 2.638 31.349 28.738 -0.045 0.000 1.264 326 Q HN 0.353 nan 8.270 nan 0.000 0.446 346 G N 1.374 110.240 108.800 0.111 0.000 2.575 346 G HA2 0.268 4.228 3.960 0.000 0.000 0.215 346 G HA3 0.268 4.228 3.960 0.000 0.000 0.215 346 G C 1.854 176.655 174.900 -0.166 0.000 1.262 346 G CA 1.427 46.574 45.100 0.078 0.000 0.807 346 G HN 1.017 nan 8.290 nan 0.000 0.567 347 G N 0.307 109.005 108.800 -0.170 0.000 2.501 347 G HA2 -0.176 3.785 3.960 0.000 0.000 0.220 347 G HA3 -0.176 3.785 3.960 0.000 0.000 0.220 347 G C 1.687 176.506 174.900 -0.136 0.000 1.114 347 G CA 1.126 46.107 45.100 -0.199 0.000 0.757 347 G HN 0.358 nan 8.290 nan 0.000 0.559 348 N N 0.548 119.202 118.700 -0.078 0.000 2.245 348 N HA 0.041 4.782 4.740 0.000 0.000 0.185 348 N C 2.254 177.684 175.510 -0.133 0.000 1.036 348 N CA 0.310 53.341 53.050 -0.032 0.000 0.857 348 N CB -0.389 38.097 38.487 -0.001 0.000 1.015 348 N HN 0.242 nan 8.380 nan 0.000 0.436 349 I N 1.451 121.899 120.570 -0.203 0.000 2.210 349 I HA -0.392 3.778 4.170 0.000 0.000 0.249 349 I C 2.116 178.175 176.117 -0.097 0.000 1.047 349 I CA 1.242 62.425 61.300 -0.197 0.000 1.323 349 I CB -0.165 37.798 38.000 -0.061 0.000 1.017 349 I HN 0.168 nan 8.210 nan 0.000 0.427 350 M N -0.198 119.361 119.600 -0.068 0.000 2.226 350 M HA -0.155 4.325 4.480 0.000 0.000 0.261 350 M C 2.653 178.957 176.300 0.006 0.000 1.095 350 M CA 1.968 57.244 55.300 -0.040 0.000 1.100 350 M CB -1.621 30.924 32.600 -0.093 0.000 1.240 350 M HN 0.345 nan 8.290 nan 0.000 0.444 351 A N 0.387 123.203 122.820 -0.006 0.000 1.836 351 A HA -0.321 3.999 4.320 0.000 0.000 0.269 351 A C 1.898 179.567 177.584 0.143 0.000 2.597 351 A CA 2.868 54.941 52.037 0.059 0.000 0.810 351 A CB -2.095 16.953 19.000 0.079 0.000 0.833 351 A HN 0.774 nan 8.150 nan 0.000 0.542 352 H N -1.019 118.038 119.070 -0.022 0.000 2.270 352 H HA -0.069 4.488 4.556 0.000 0.000 0.299 352 H C 2.659 177.982 175.328 -0.009 0.000 1.077 352 H CA 1.523 57.563 56.048 -0.012 0.000 1.294 352 H CB -0.208 29.548 29.762 -0.010 0.000 1.371 352 H HN 0.771 nan 8.280 nan 0.000 0.491 353 S N 1.151 116.924 115.700 0.122 0.000 2.561 353 S HA -0.029 4.441 4.470 0.000 0.000 0.225 353 S C 0.952 175.575 174.600 0.038 0.000 0.977 353 S CA 0.051 58.286 58.200 0.058 0.000 0.926 353 S CB -0.120 63.100 63.200 0.034 0.000 0.769 353 S HN 0.332 nan 8.310 nan 0.000 0.533 354 S N 0.780 116.506 115.700 0.044 0.000 2.549 354 S HA 0.538 5.008 4.470 0.000 0.000 0.297 354 S C 0.802 175.428 174.600 0.043 0.000 1.115 354 S CA -0.072 58.151 58.200 0.039 0.000 1.059 354 S CB 1.553 64.780 63.200 0.045 0.000 1.046 354 S HN 0.389 nan 8.310 nan 0.000 0.506 355 T N -1.286 113.293 114.554 0.041 0.000 3.039 355 T HA 0.213 4.564 4.350 0.000 0.000 0.250 355 T C 0.421 175.152 174.700 0.051 0.000 1.052 355 T CA 0.332 62.456 62.100 0.040 0.000 1.125 355 T CB -0.334 68.555 68.868 0.035 0.000 0.908 355 T HN 0.653 nan 8.240 nan 0.000 0.473 356 T N 2.581 117.173 114.554 0.063 0.000 2.906 356 T HA 0.558 4.909 4.350 0.000 0.000 0.302 356 T C -0.953 173.818 174.700 0.119 0.000 1.002 356 T CA -0.814 61.334 62.100 0.080 0.000 0.988 356 T CB 1.671 70.582 68.868 0.071 0.000 0.972 356 T HN 0.296 nan 8.240 nan 0.000 0.447 357 R N 2.613 123.203 120.500 0.151 0.000 2.514 357 R HA 0.756 5.096 4.340 0.000 0.000 0.301 357 R C -0.999 175.471 176.300 0.283 0.000 0.962 357 R CA -0.871 55.382 56.100 0.255 0.000 0.882 357 R CB 1.699 32.176 30.300 0.296 0.000 1.143 357 R HN 0.448 nan 8.270 nan 0.000 0.452 358 L N 1.717 123.120 121.223 0.300 0.000 2.372 358 L HA 0.503 4.843 4.340 0.000 0.000 0.274 358 L C 0.078 176.866 176.870 -0.138 0.000 0.988 358 L CA -0.759 54.180 54.840 0.165 0.000 0.833 358 L CB 2.288 44.520 42.059 0.288 0.000 1.236 358 L HN 0.813 nan 8.230 nan 0.000 0.410 359 G N 2.331 110.873 108.800 -0.430 0.000 2.343 359 G HA2 0.648 4.608 3.960 0.000 0.000 0.319 359 G HA3 0.648 4.608 3.960 0.000 0.000 0.319 359 G C -1.278 173.431 174.900 -0.319 0.000 1.126 359 G CA -0.174 44.396 45.100 -0.884 0.000 0.889 359 G HN 0.230 nan 8.290 nan 0.000 0.457 360 F N 0.818 120.507 119.950 -0.435 0.000 2.507 360 F HA 0.568 5.095 4.527 0.000 0.000 0.325 360 F C 0.486 176.214 175.800 -0.119 0.000 1.116 360 F CA -0.827 57.075 58.000 -0.164 0.000 0.930 360 F CB 2.723 41.697 39.000 -0.044 0.000 1.146 360 F HN 0.217 nan 8.300 nan 0.000 0.447 361 K N 1.662 122.054 120.400 -0.013 0.000 2.385 361 K HA 0.399 4.719 4.320 0.000 0.000 0.248 361 K C -0.926 175.642 176.600 -0.053 0.000 0.955 361 K CA -1.210 55.060 56.287 -0.028 0.000 0.816 361 K CB 2.729 35.193 32.500 -0.060 0.000 1.250 361 K HN 0.436 nan 8.250 nan 0.000 0.434 362 K N 1.136 121.518 120.400 -0.030 0.000 2.258 362 K HA 0.258 4.578 4.320 0.000 0.000 0.284 362 K C 0.018 176.572 176.600 -0.077 0.000 1.051 362 K CA -0.295 55.966 56.287 -0.042 0.000 0.923 362 K CB 0.897 33.394 32.500 -0.005 0.000 1.046 362 K HN 0.795 nan 8.250 nan 0.000 0.474 363 G N 1.844 110.571 108.800 -0.121 0.000 2.508 363 G HA2 0.333 4.293 3.960 0.000 0.000 0.278 363 G HA3 0.333 4.293 3.960 0.000 0.000 0.278 363 G C -0.800 174.049 174.900 -0.085 0.000 1.389 363 G CA -0.532 44.492 45.100 -0.126 0.000 1.050 363 G HN 0.685 nan 8.290 nan 0.000 0.522 364 K N -0.862 119.491 120.400 -0.078 0.000 2.248 364 K HA 0.625 4.945 4.320 0.000 0.000 0.281 364 K C 1.153 177.717 176.600 -0.060 0.000 1.054 364 K CA 0.686 56.939 56.287 -0.057 0.000 0.903 364 K CB 0.244 32.716 32.500 -0.045 0.000 1.077 364 K HN 2.376 nan 8.250 nan 0.000 0.474 365 G N 0.411 109.182 108.800 -0.050 0.000 4.163 365 G HA2 -0.372 3.588 3.960 0.000 0.000 0.300 365 G HA3 -0.372 3.588 3.960 0.000 0.000 0.300 365 G C 1.515 176.378 174.900 -0.062 0.000 1.488 365 G CA 1.401 46.471 45.100 -0.050 0.000 1.052 365 G HN 2.194 nan 8.290 nan 0.000 0.687 366 C N 0.477 119.722 119.300 -0.091 0.000 3.386 366 C HA 0.859 5.319 4.460 0.000 0.000 0.279 366 C C 1.028 175.927 174.990 -0.152 0.000 1.508 366 C CA 1.087 60.032 59.018 -0.121 0.000 1.801 366 C CB -0.579 27.061 27.740 -0.167 0.000 2.798 366 C HN 1.646 nan 8.230 nan 0.000 0.605 367 Q N 1.103 120.817 119.800 -0.143 0.000 2.317 367 Q HA 0.848 5.188 4.340 0.000 0.000 0.229 367 Q C -0.286 175.562 176.000 -0.253 0.000 0.984 367 Q CA 0.009 55.707 55.803 -0.175 0.000 0.911 367 Q CB 0.475 29.135 28.738 -0.131 0.000 1.217 367 Q HN 0.694 nan 8.270 nan 0.000 0.501 368 R N 0.558 120.786 120.500 -0.453 0.000 2.572 368 R HA 0.334 4.674 4.340 0.000 0.000 0.273 368 R C -1.447 174.400 176.300 -0.756 0.000 1.168 368 R CA -0.788 54.937 56.100 -0.624 0.000 1.021 368 R CB 0.724 30.502 30.300 -0.870 0.000 1.249 368 R HN 0.698 nan 8.270 nan 0.000 0.423 369 L N 1.677 122.636 121.223 -0.441 0.000 2.475 369 L HA 0.501 4.842 4.340 0.000 0.000 0.250 369 L C -0.188 176.431 176.870 -0.419 0.000 1.224 369 L CA 0.200 54.828 54.840 -0.353 0.000 0.821 369 L CB 0.945 42.882 42.059 -0.203 0.000 1.141 369 L HN 0.828 nan 8.230 nan 0.000 0.494 370 C N 3.094 122.202 119.300 -0.319 0.000 3.122 370 C HA 0.312 4.773 4.460 0.000 0.000 0.415 370 C C -0.724 174.121 174.990 -0.243 0.000 1.033 370 C CA -1.230 57.545 59.018 -0.404 0.000 1.262 370 C CB -0.145 27.263 27.740 -0.553 0.000 1.641 370 C HN 0.946 nan 8.230 nan 0.000 0.540 371 K N 3.592 123.872 120.400 -0.200 0.000 2.098 371 K HA 0.708 5.028 4.320 0.000 0.000 0.257 371 K C -0.408 176.154 176.600 -0.064 0.000 0.999 371 K CA -0.468 55.758 56.287 -0.101 0.000 0.924 371 K CB 1.388 33.854 32.500 -0.057 0.000 1.028 371 K HN 0.615 nan 8.250 nan 0.000 0.466 372 V N 4.317 124.226 119.914 -0.009 0.000 2.192 372 V HA 0.100 4.220 4.120 0.000 0.000 0.264 372 V C -0.455 175.674 176.094 0.059 0.000 1.155 372 V CA -0.639 61.680 62.300 0.032 0.000 1.005 372 V CB 0.798 32.638 31.823 0.028 0.000 1.201 372 V HN 0.483 nan 8.190 nan 0.000 0.468 373 V N 4.614 124.588 119.914 0.100 0.000 2.432 373 V HA 0.527 4.647 4.120 0.000 0.000 0.271 373 V C 0.537 176.715 176.094 0.139 0.000 1.046 373 V CA 0.855 63.235 62.300 0.134 0.000 0.945 373 V CB 0.387 32.334 31.823 0.207 0.000 0.992 373 V HN 1.137 nan 8.190 nan 0.000 0.471 374 D N 3.712 124.167 120.400 0.091 0.000 8.931 374 D HA -0.057 4.583 4.640 0.000 0.000 0.291 374 D C -0.041 176.304 176.300 0.073 0.000 2.461 374 D CA 0.816 54.858 54.000 0.070 0.000 2.244 374 D CB -1.421 39.414 40.800 0.058 0.000 0.968 374 D HN 1.608 nan 8.370 nan 0.000 0.690 375 S N 4.004 119.736 115.700 0.053 0.000 2.240 375 S HA 0.542 5.012 4.470 0.000 0.000 0.234 375 S C -1.375 173.248 174.600 0.038 0.000 0.850 375 S CA -0.007 58.222 58.200 0.050 0.000 1.015 375 S CB 1.999 65.234 63.200 0.058 0.000 1.268 375 S HN 0.735 nan 8.310 nan 0.000 0.384 376 P HA -0.347 nan 4.420 nan 0.000 0.225 376 P C 1.507 178.822 177.300 0.026 0.000 0.859 376 P CA 2.808 65.925 63.100 0.029 0.000 1.075 376 P CB -0.848 30.874 31.700 0.037 0.000 0.699 377 C N -1.452 117.865 119.300 0.029 0.000 3.244 377 C HA 0.142 4.602 4.460 0.000 0.000 0.291 377 C C 1.939 176.943 174.990 0.023 0.000 1.295 377 C CA -0.680 58.352 59.018 0.024 0.000 1.739 377 C CB -1.764 25.993 27.740 0.028 0.000 2.165 377 C HN 0.176 nan 8.230 nan 0.000 0.497 378 L N 3.023 124.263 121.223 0.027 0.000 2.715 378 L HA 0.050 4.390 4.340 0.000 0.000 0.317 378 L C -1.887 174.998 176.870 0.024 0.000 1.263 378 L CA 0.033 54.889 54.840 0.027 0.000 0.860 378 L CB -0.524 41.555 42.059 0.032 0.000 1.103 378 L HN 0.421 nan 8.230 nan 0.000 0.522 379 P HA 0.175 nan 4.420 nan 0.000 0.296 379 P C -1.109 176.203 177.300 0.020 0.000 1.310 379 P CA -0.791 62.320 63.100 0.018 0.000 0.900 379 P CB 1.400 33.108 31.700 0.015 0.000 1.111 380 E N 1.811 122.023 120.200 0.020 0.000 2.415 380 E HA 0.370 4.720 4.350 0.000 0.000 0.260 380 E C -1.089 175.519 176.600 0.013 0.000 1.016 380 E CA -0.046 56.366 56.400 0.021 0.000 0.924 380 E CB -0.085 29.629 29.700 0.023 0.000 0.961 380 E HN 0.562 nan 8.360 nan 0.000 0.459 381 A N 4.636 127.461 122.820 0.009 0.000 2.547 381 A HA 0.275 4.595 4.320 0.000 0.000 0.298 381 A C -0.881 176.696 177.584 -0.012 0.000 1.062 381 A CA -0.869 51.169 52.037 0.000 0.000 0.748 381 A CB 0.982 19.985 19.000 0.004 0.000 1.288 381 A HN 0.747 nan 8.150 nan 0.000 0.396 382 E N 0.155 120.342 120.200 -0.021 0.000 2.254 382 E HA 0.816 5.166 4.350 0.000 0.000 0.258 382 E C -0.035 176.544 176.600 -0.036 0.000 1.033 382 E CA -0.353 56.022 56.400 -0.042 0.000 0.893 382 E CB 1.916 31.585 29.700 -0.053 0.000 1.204 382 E HN 1.916 nan 8.360 nan 0.000 0.425 383 C N -1.159 118.110 119.300 -0.050 0.000 3.045 383 C HA 0.536 4.996 4.460 0.000 0.000 0.338 383 C C -1.443 173.519 174.990 -0.046 0.000 1.267 383 C CA -0.768 58.233 59.018 -0.029 0.000 1.177 383 C CB 0.314 28.058 27.740 0.006 0.000 1.380 383 C HN 0.644 nan 8.230 nan 0.000 0.469 384 V N 2.340 122.234 119.914 -0.032 0.000 2.769 384 V HA 0.965 5.085 4.120 0.000 0.000 0.312 384 V C -0.054 176.076 176.094 0.060 0.000 1.058 384 V CA -0.072 62.179 62.300 -0.082 0.000 0.952 384 V CB 1.654 33.423 31.823 -0.089 0.000 1.019 384 V HN 1.326 nan 8.190 nan 0.000 0.445 385 F N 0.704 120.644 119.950 -0.016 0.000 2.754 385 F HA 1.023 5.550 4.527 0.000 0.000 0.320 385 F C -0.522 175.291 175.800 0.021 0.000 1.156 385 F CA -1.034 56.978 58.000 0.021 0.000 0.950 385 F CB 1.327 40.342 39.000 0.025 0.000 1.388 385 F HN 0.804 nan 8.300 nan 0.000 0.485 386 A N 0.640 123.817 122.820 0.595 0.000 2.599 386 A HA 0.775 5.095 4.320 0.000 0.000 0.290 386 A C -1.970 175.759 177.584 0.242 0.000 1.101 386 A CA -0.846 51.357 52.037 0.278 0.000 0.674 386 A CB 1.229 20.242 19.000 0.022 0.000 1.277 386 A HN 0.845 nan 8.150 nan 0.000 0.419 387 I N 0.923 121.456 120.570 -0.061 0.000 2.404 387 I HA 0.573 4.743 4.170 0.000 0.000 0.293 387 I C -0.942 174.970 176.117 -0.342 0.000 0.992 387 I CA -0.349 60.931 61.300 -0.035 0.000 1.149 387 I CB 1.164 39.182 38.000 0.031 0.000 1.315 387 I HN 0.701 nan 8.210 nan 0.000 0.446 388 Y N 2.217 122.558 120.300 0.068 0.000 2.857 388 Y HA 0.242 4.792 4.550 0.000 0.000 0.318 388 Y C 1.212 177.122 175.900 0.017 0.000 1.313 388 Y CA -0.873 57.249 58.100 0.036 0.000 1.117 388 Y CB 0.501 38.980 38.460 0.031 0.000 1.344 388 Y HN 0.494 nan 8.280 nan 0.000 0.525 389 E N 0.329 120.646 120.200 0.195 0.000 2.347 389 E HA -0.156 4.194 4.350 0.000 0.000 0.196 389 E C -0.155 176.481 176.600 0.060 0.000 1.008 389 E CA 1.567 58.016 56.400 0.082 0.000 0.852 389 E CB -0.067 29.664 29.700 0.052 0.000 0.783 389 E HN 0.805 nan 8.360 nan 0.000 0.505 390 D N -1.551 118.901 120.400 0.087 0.000 2.431 390 D HA 0.277 4.917 4.640 0.000 0.000 0.213 390 D C 0.646 177.017 176.300 0.117 0.000 1.130 390 D CA 0.288 54.328 54.000 0.067 0.000 0.834 390 D CB 0.963 41.773 40.800 0.016 0.000 0.985 390 D HN 0.234 nan 8.370 nan 0.000 0.504 391 G N -0.719 108.171 108.800 0.149 0.000 2.306 391 G HA2 -0.043 3.917 3.960 0.000 0.000 0.262 391 G HA3 -0.043 3.917 3.960 0.000 0.000 0.262 391 G C -0.560 174.466 174.900 0.210 0.000 1.263 391 G CA -0.525 44.672 45.100 0.163 0.000 1.088 391 G HN 0.326 nan 8.290 nan 0.000 0.489 392 V N 0.661 120.680 119.914 0.176 0.000 3.287 392 V HA 0.607 4.727 4.120 0.000 0.000 0.306 392 V C 1.437 177.659 176.094 0.214 0.000 1.103 392 V CA 1.186 63.584 62.300 0.163 0.000 1.159 392 V CB 0.633 32.465 31.823 0.015 0.000 1.036 392 V HN 2.388 nan 8.190 nan 0.000 0.487 393 G N 0.494 109.449 108.800 0.258 0.000 2.441 393 G HA2 0.376 4.337 3.960 0.000 0.000 0.294 393 G HA3 0.376 4.337 3.960 0.000 0.000 0.294 393 G C -1.848 173.228 174.900 0.294 0.000 1.393 393 G CA -0.795 44.445 45.100 0.234 0.000 0.796 393 G HN 0.540 nan 8.290 nan 0.000 0.494 394 D N 1.180 121.707 120.400 0.211 0.000 2.344 394 D HA 0.415 5.056 4.640 0.000 0.000 0.244 394 D C -1.398 175.056 176.300 0.255 0.000 1.134 394 D CA -0.371 53.749 54.000 0.200 0.000 0.930 394 D CB 1.587 42.455 40.800 0.112 0.000 1.175 394 D HN 0.271 nan 8.370 nan 0.000 0.437 395 P HA 0.000 nan 4.420 nan 0.000 0.216 395 P CA 0.000 63.215 63.100 0.191 0.000 0.800 395 P CB 0.000 31.758 31.700 0.097 0.000 0.726