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 1t87_1_A DATA FIRST_RESID 8 DATA SEQUENCE NANLAPLPPH VPEHLVFDFD MYNPSNLSAG VQEAWAVLQE SNVPDLVWTR DATA SEQUENCE CNGGHWIATR GQLIREAYED YRHFSSECPF IPREAGEAYD FIPTSMDPPE DATA SEQUENCE QRQFRALANQ VVGMPVVDKL ENRIQELACS LIESLRPQGQ CNFTEDYAEP DATA SEQUENCE FPIRIFMLLA GLPEEDIPHL KYLTDQMTRP DGSMTFAEAK EALYDYLIPI DATA SEQUENCE IEQRRQKPGT DAISIVANGQ VNGRPITSDE AKRMCGLLLV GGLDTVVNFL DATA SEQUENCE SFSMEFLAKS PEHRQELIER PERIPAACEE LLRRFSLVAD GRILTSDYEF DATA SEQUENCE HGVQLKKGDQ ILLPQMLSGL DERENAAPMH VDFSRQKVSH TTFGHGSHLC DATA SEQUENCE LGQHLARREI IVTLKEWLTR IPDFSIAPGA QIQHKSGIVS GVQALPLVWD DATA SEQUENCE PATTKAV 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 8 N HA 0.000 nan 4.740 nan 0.000 0.220 8 N C 0.000 175.498 175.510 -0.020 0.000 1.280 8 N CA 0.000 53.034 53.050 -0.026 0.000 0.885 8 N CB 0.000 38.465 38.487 -0.037 0.000 1.341 9 A N 1.835 124.645 122.820 -0.018 0.000 2.172 9 A HA -0.051 4.271 4.320 0.003 0.000 0.216 9 A C 1.034 178.610 177.584 -0.013 0.000 1.154 9 A CA 1.002 53.031 52.037 -0.012 0.000 0.701 9 A CB -0.269 18.724 19.000 -0.011 0.000 0.789 9 A HN 0.661 nan 8.150 nan 0.000 0.465 10 N N -0.255 118.433 118.700 -0.021 0.000 2.322 10 N HA 0.170 4.912 4.740 0.003 0.000 0.194 10 N C -0.480 175.014 175.510 -0.025 0.000 1.126 10 N CA 0.291 53.327 53.050 -0.023 0.000 0.845 10 N CB 0.309 38.776 38.487 -0.033 0.000 0.976 10 N HN 0.415 nan 8.380 nan 0.000 0.475 11 L N 0.958 122.168 121.223 -0.020 0.000 2.305 11 L HA 0.521 4.863 4.340 0.003 0.000 0.284 11 L C 0.216 177.091 176.870 0.008 0.000 1.013 11 L CA -0.865 53.965 54.840 -0.015 0.000 0.819 11 L CB 1.616 43.663 42.059 -0.021 0.000 1.227 11 L HN -0.119 nan 8.230 nan 0.000 0.417 12 A N 5.843 128.679 122.820 0.027 0.000 2.425 12 A HA 0.515 4.837 4.320 0.003 0.000 0.249 12 A C -2.131 175.492 177.584 0.064 0.000 1.084 12 A CA -1.127 50.942 52.037 0.054 0.000 0.781 12 A CB -0.338 18.712 19.000 0.084 0.000 1.019 12 A HN 0.485 nan 8.150 nan 0.000 0.490 13 P HA 0.027 nan 4.420 nan 0.000 0.264 13 P C -0.334 176.969 177.300 0.006 0.000 1.193 13 P CA -0.149 62.961 63.100 0.017 0.000 0.763 13 P CB 0.369 32.074 31.700 0.008 0.000 0.810 14 L N 7.081 128.280 121.223 -0.041 0.000 2.534 14 L HA 0.168 4.510 4.340 0.003 0.000 0.271 14 L C -2.063 174.665 176.870 -0.237 0.000 1.178 14 L CA -1.230 53.508 54.840 -0.169 0.000 0.907 14 L CB -0.880 41.063 42.059 -0.193 0.000 1.164 14 L HN 0.300 nan 8.230 nan 0.000 0.482 15 P HA 0.147 nan 4.420 nan 0.000 0.269 15 P C -2.128 175.007 177.300 -0.275 0.000 1.209 15 P CA -0.914 62.016 63.100 -0.283 0.000 0.776 15 P CB 0.176 31.646 31.700 -0.383 0.000 0.876 16 P HA -0.215 nan 4.420 nan 0.000 0.217 16 P C 1.198 178.473 177.300 -0.041 0.000 1.148 16 P CA 1.469 64.539 63.100 -0.050 0.000 0.828 16 P CB -0.369 31.338 31.700 0.013 0.000 0.783 17 H N -2.077 116.923 119.070 -0.115 0.000 2.548 17 H HA 0.095 4.653 4.556 0.003 0.000 0.268 17 H C 0.085 175.368 175.328 -0.074 0.000 0.975 17 H CA 0.307 56.317 56.048 -0.063 0.000 1.195 17 H CB -0.768 28.989 29.762 -0.007 0.000 1.397 17 H HN -0.080 nan 8.280 nan 0.000 0.572 18 V N 4.592 124.078 119.914 -0.712 0.000 2.389 18 V HA 0.165 4.287 4.120 0.003 0.000 0.264 18 V C -2.041 173.847 176.094 -0.343 0.000 1.049 18 V CA -1.522 60.378 62.300 -0.667 0.000 0.932 18 V CB 0.927 31.910 31.823 -1.401 0.000 1.011 18 V HN 0.192 nan 8.190 nan 0.000 0.475 19 P HA 0.046 nan 4.420 nan 0.000 0.264 19 P C 0.542 177.743 177.300 -0.165 0.000 1.183 19 P CA 0.119 63.154 63.100 -0.109 0.000 0.763 19 P CB 0.726 32.337 31.700 -0.149 0.000 0.807 20 E N 1.467 121.641 120.200 -0.043 0.000 2.118 20 E HA -0.231 4.120 4.350 0.003 0.000 0.195 20 E C 1.503 178.113 176.600 0.017 0.000 0.992 20 E CA 1.628 58.017 56.400 -0.019 0.000 0.804 20 E CB -0.766 28.951 29.700 0.029 0.000 0.741 20 E HN 0.700 nan 8.360 nan 0.000 0.458 21 H N -1.220 117.866 119.070 0.027 0.000 2.559 21 H HA 0.119 4.677 4.556 0.003 0.000 0.273 21 H C 1.309 176.687 175.328 0.084 0.000 1.000 21 H CA 0.591 56.668 56.048 0.048 0.000 1.195 21 H CB -0.125 29.661 29.762 0.039 0.000 1.368 21 H HN 0.106 nan 8.280 nan 0.000 0.592 22 L N 0.942 121.976 121.223 -0.315 0.000 2.607 22 L HA 0.206 4.547 4.340 0.003 0.000 0.228 22 L C -0.087 176.833 176.870 0.084 0.000 1.123 22 L CA -0.376 54.404 54.840 -0.099 0.000 0.890 22 L CB 0.588 42.604 42.059 -0.072 0.000 1.103 22 L HN 0.132 nan 8.230 nan 0.000 0.468 23 V N 0.876 120.832 119.914 0.070 0.000 2.521 23 V HA 0.017 4.139 4.120 0.003 0.000 0.286 23 V C -0.530 175.671 176.094 0.178 0.000 1.034 23 V CA 0.298 62.676 62.300 0.131 0.000 1.045 23 V CB 0.784 32.650 31.823 0.072 0.000 0.974 23 V HN 0.094 nan 8.190 nan 0.000 0.480 24 F N 3.997 123.956 119.950 0.014 0.000 2.828 24 F HA 0.404 4.933 4.527 0.003 0.000 0.355 24 F C 0.220 176.005 175.800 -0.025 0.000 1.200 24 F CA -0.790 57.209 58.000 -0.001 0.000 1.062 24 F CB 1.312 40.308 39.000 -0.006 0.000 1.351 24 F HN 0.511 nan 8.300 nan 0.000 0.504 25 D N 6.445 126.700 120.400 -0.241 0.000 2.662 25 D HA -0.026 4.616 4.640 0.003 0.000 0.228 25 D C -0.224 175.978 176.300 -0.164 0.000 1.093 25 D CA 0.464 54.354 54.000 -0.183 0.000 1.075 25 D CB -0.322 40.369 40.800 -0.183 0.000 1.122 25 D HN 0.261 nan 8.370 nan 0.000 0.475 26 F N 1.713 121.573 119.950 -0.150 0.000 2.427 26 F HA 0.126 4.655 4.527 0.003 0.000 0.352 26 F C 0.448 176.134 175.800 -0.191 0.000 1.100 26 F CA -0.655 57.277 58.000 -0.114 0.000 1.191 26 F CB 0.879 39.897 39.000 0.029 0.000 1.128 26 F HN -0.131 nan 8.300 nan 0.000 0.533 27 D N 7.195 127.086 120.400 -0.849 0.000 2.454 27 D HA 0.110 4.751 4.640 0.003 0.000 0.225 27 D C 0.872 176.623 176.300 -0.915 0.000 1.081 27 D CA -0.442 53.198 54.000 -0.600 0.000 0.864 27 D CB 0.973 41.553 40.800 -0.367 0.000 1.040 27 D HN 0.751 nan 8.370 nan 0.000 0.517 28 M N 1.927 121.159 119.600 -0.612 0.000 2.446 28 M HA -0.069 4.413 4.480 0.003 0.000 0.263 28 M C 0.192 176.255 176.300 -0.395 0.000 1.066 28 M CA 1.205 56.179 55.300 -0.543 0.000 1.087 28 M CB -0.152 32.318 32.600 -0.217 0.000 1.406 28 M HN 0.219 nan 8.290 nan 0.000 0.459 29 Y N 0.163 120.391 120.300 -0.119 0.000 2.458 29 Y HA 0.265 4.817 4.550 0.003 0.000 0.256 29 Y C 0.368 176.231 175.900 -0.061 0.000 1.159 29 Y CA -0.326 57.754 58.100 -0.034 0.000 1.261 29 Y CB 0.536 38.982 38.460 -0.023 0.000 1.119 29 Y HN 0.447 nan 8.280 nan 0.000 0.524 30 N N 0.221 118.885 118.700 -0.061 0.000 2.820 30 N HA 0.099 4.841 4.740 0.003 0.000 0.209 30 N C -3.287 172.087 175.510 -0.226 0.000 1.406 30 N CA -1.349 51.654 53.050 -0.078 0.000 0.916 30 N CB 0.663 39.130 38.487 -0.033 0.000 1.532 30 N HN -0.229 nan 8.380 nan 0.000 0.559 31 P HA 0.052 nan 4.420 nan 0.000 0.265 31 P C 0.894 178.080 177.300 -0.190 0.000 1.193 31 P CA 0.074 62.890 63.100 -0.472 0.000 0.765 31 P CB 1.178 32.597 31.700 -0.468 0.000 0.823 32 S N 2.286 117.887 115.700 -0.165 0.000 2.400 32 S HA -0.224 4.248 4.470 0.003 0.000 0.232 32 S C 1.340 175.933 174.600 -0.012 0.000 1.025 32 S CA 1.438 59.594 58.200 -0.074 0.000 0.993 32 S CB -0.923 62.233 63.200 -0.072 0.000 0.808 32 S HN 0.522 nan 8.310 nan 0.000 0.478 33 N N 0.483 119.200 118.700 0.029 0.000 2.295 33 N HA 0.220 4.962 4.740 0.003 0.000 0.221 33 N C 0.957 176.516 175.510 0.082 0.000 1.129 33 N CA -0.146 52.941 53.050 0.062 0.000 0.836 33 N CB -0.295 38.248 38.487 0.093 0.000 1.040 33 N HN 0.308 nan 8.380 nan 0.000 0.494 34 L N 0.376 121.641 121.223 0.071 0.000 2.129 34 L HA -0.162 4.180 4.340 0.003 0.000 0.212 34 L C 2.057 178.979 176.870 0.088 0.000 1.087 34 L CA 1.855 56.761 54.840 0.110 0.000 0.757 34 L CB -0.977 41.139 42.059 0.094 0.000 0.896 34 L HN 0.360 nan 8.230 nan 0.000 0.434 35 S N -1.222 114.507 115.700 0.048 0.000 2.469 35 S HA -0.043 4.429 4.470 0.003 0.000 0.238 35 S C 1.856 176.460 174.600 0.007 0.000 0.998 35 S CA 0.642 58.853 58.200 0.018 0.000 0.957 35 S CB -0.719 62.489 63.200 0.014 0.000 0.764 35 S HN 0.480 nan 8.310 nan 0.000 0.514 36 A N 0.944 123.787 122.820 0.039 0.000 2.251 36 A HA 0.606 4.927 4.320 0.003 0.000 0.209 36 A C 1.130 178.750 177.584 0.061 0.000 1.187 36 A CA 0.267 52.331 52.037 0.045 0.000 0.823 36 A CB -0.626 18.412 19.000 0.064 0.000 0.846 36 A HN 1.521 nan 8.150 nan 0.000 0.486 37 G N -2.219 106.622 108.800 0.069 0.000 2.627 37 G HA2 0.121 4.083 3.960 0.003 0.000 0.680 37 G HA3 0.121 4.083 3.960 0.003 0.000 0.680 37 G C 0.369 175.494 174.900 0.376 0.000 1.341 37 G CA -0.171 45.038 45.100 0.180 0.000 0.835 37 G HN 0.824 nan 8.290 nan 0.000 0.643 38 V N 1.446 121.762 119.914 0.670 0.000 2.343 38 V HA -0.158 3.964 4.120 0.003 0.000 0.247 38 V C 2.666 178.979 176.094 0.366 0.000 1.051 38 V CA 3.338 65.919 62.300 0.468 0.000 1.036 38 V CB -0.304 31.765 31.823 0.409 0.000 0.654 38 V HN 0.805 nan 8.190 nan 0.000 0.451 39 Q N -0.050 119.844 119.800 0.156 0.000 2.084 39 Q HA -0.208 4.133 4.340 0.003 0.000 0.202 39 Q C 2.103 178.189 176.000 0.145 0.000 0.978 39 Q CA 2.171 58.001 55.803 0.044 0.000 0.844 39 Q CB -0.297 28.366 28.738 -0.126 0.000 0.898 39 Q HN 0.696 nan 8.270 nan 0.000 0.426 40 E N 0.133 120.425 120.200 0.154 0.000 2.110 40 E HA -0.147 4.205 4.350 0.003 0.000 0.193 40 E C 1.797 178.506 176.600 0.182 0.000 0.988 40 E CA 1.222 57.703 56.400 0.134 0.000 0.804 40 E CB -0.329 29.442 29.700 0.120 0.000 0.745 40 E HN 0.412 nan 8.360 nan 0.000 0.458 41 A N -0.178 122.796 122.820 0.256 0.000 1.902 41 A HA -0.161 4.161 4.320 0.003 0.000 0.217 41 A C 1.713 179.494 177.584 0.329 0.000 1.181 41 A CA 1.245 53.443 52.037 0.268 0.000 0.623 41 A CB -0.897 18.265 19.000 0.269 0.000 0.818 41 A HN 0.361 nan 8.150 nan 0.000 0.443 42 W N -0.416 120.993 121.300 0.181 0.000 2.436 42 W HA 0.181 4.843 4.660 0.003 0.000 0.284 42 W C 2.561 179.022 176.519 -0.096 0.000 1.225 42 W CA 0.850 58.233 57.345 0.063 0.000 1.271 42 W CB -0.258 29.209 29.460 0.012 0.000 1.114 42 W HN 0.350 nan 8.180 nan 0.000 0.559 43 A N 0.472 123.392 122.820 0.167 0.000 2.178 43 A HA -0.100 4.221 4.320 0.003 0.000 0.218 43 A C 1.971 179.554 177.584 -0.002 0.000 1.157 43 A CA 1.691 53.754 52.037 0.043 0.000 0.689 43 A CB -1.177 17.843 19.000 0.034 0.000 0.787 43 A HN 0.259 nan 8.150 nan 0.000 0.465 44 V N -2.529 117.406 119.914 0.035 0.000 2.759 44 V HA -0.122 4.000 4.120 0.003 0.000 0.256 44 V C 1.885 177.910 176.094 -0.115 0.000 1.080 44 V CA 1.741 64.068 62.300 0.044 0.000 1.101 44 V CB -0.872 31.064 31.823 0.188 0.000 0.698 44 V HN 0.451 nan 8.190 nan 0.000 0.477 45 L N -0.331 120.727 121.223 -0.276 0.000 2.551 45 L HA 0.056 4.398 4.340 0.003 0.000 0.228 45 L C 2.290 178.948 176.870 -0.353 0.000 1.153 45 L CA 1.036 55.556 54.840 -0.534 0.000 0.851 45 L CB -0.325 41.384 42.059 -0.584 0.000 0.959 45 L HN 0.421 nan 8.230 nan 0.000 0.451 46 Q N -0.775 118.903 119.800 -0.203 0.000 2.155 46 Q HA 0.150 4.491 4.340 0.003 0.000 0.220 46 Q C -0.078 175.863 176.000 -0.097 0.000 0.819 46 Q CA -0.188 55.531 55.803 -0.141 0.000 1.032 46 Q CB 0.798 29.475 28.738 -0.101 0.000 1.151 46 Q HN 0.414 nan 8.270 nan 0.000 0.487 47 E N 0.416 120.560 120.200 -0.093 0.000 2.392 47 E HA -0.019 4.333 4.350 0.003 0.000 0.256 47 E C 1.028 177.603 176.600 -0.041 0.000 1.145 47 E CA 0.357 56.733 56.400 -0.041 0.000 0.929 47 E CB 0.791 30.490 29.700 -0.002 0.000 0.998 47 E HN 0.214 nan 8.360 nan 0.000 0.442 48 S N 2.042 117.732 115.700 -0.018 0.000 2.389 48 S HA -0.252 4.219 4.470 0.003 0.000 0.231 48 S C 0.998 175.592 174.600 -0.010 0.000 1.052 48 S CA 1.553 59.745 58.200 -0.013 0.000 1.053 48 S CB -0.174 63.024 63.200 -0.002 0.000 0.886 48 S HN 0.490 nan 8.310 nan 0.000 0.456 49 N N 1.179 119.881 118.700 0.003 0.000 2.273 49 N HA 0.290 5.032 4.740 0.003 0.000 0.231 49 N C -0.912 174.605 175.510 0.012 0.000 1.134 49 N CA 0.025 53.085 53.050 0.016 0.000 0.856 49 N CB 1.007 39.516 38.487 0.037 0.000 1.068 49 N HN 0.293 nan 8.380 nan 0.000 0.510 50 V N 2.431 122.320 119.914 -0.042 0.000 2.407 50 V HA 0.322 4.444 4.120 0.003 0.000 0.278 50 V C -1.822 174.217 176.094 -0.092 0.000 1.037 50 V CA -1.461 60.774 62.300 -0.108 0.000 0.900 50 V CB 1.405 33.053 31.823 -0.292 0.000 0.983 50 V HN -0.014 nan 8.190 nan 0.000 0.459 51 P HA 0.184 nan 4.420 nan 0.000 0.273 51 P C 0.254 177.510 177.300 -0.073 0.000 1.250 51 P CA -0.328 62.754 63.100 -0.030 0.000 0.793 51 P CB 0.631 32.346 31.700 0.026 0.000 1.011 52 D N -0.678 119.681 120.400 -0.068 0.000 2.219 52 D HA -0.003 4.638 4.640 0.003 0.000 0.205 52 D C 0.273 176.514 176.300 -0.098 0.000 0.970 52 D CA 1.282 55.216 54.000 -0.110 0.000 0.851 52 D CB -0.113 40.598 40.800 -0.149 0.000 0.943 52 D HN 0.037 nan 8.370 nan 0.000 0.488 53 L N 0.593 121.794 121.223 -0.036 0.000 2.439 53 L HA 0.368 4.710 4.340 0.003 0.000 0.270 53 L C -0.830 176.138 176.870 0.164 0.000 0.972 53 L CA -0.975 53.893 54.840 0.047 0.000 0.836 53 L CB 1.859 43.925 42.059 0.012 0.000 1.255 53 L HN -0.150 nan 8.230 nan 0.000 0.404 54 V N 1.527 121.575 119.914 0.224 0.000 3.126 54 V HA 0.699 4.821 4.120 0.003 0.000 0.314 54 V C -1.434 174.894 176.094 0.388 0.000 1.138 54 V CA -0.757 61.705 62.300 0.270 0.000 1.034 54 V CB 2.143 34.028 31.823 0.103 0.000 1.075 54 V HN 0.934 nan 8.190 nan 0.000 0.442 55 W N 1.883 123.196 121.300 0.021 0.000 2.532 55 W HA 0.664 5.326 4.660 0.003 0.000 0.321 55 W C -1.006 175.383 176.519 -0.217 0.000 1.037 55 W CA -0.232 56.947 57.345 -0.278 0.000 1.220 55 W CB 1.918 30.985 29.460 -0.656 0.000 1.361 55 W HN 0.885 nan 8.180 nan 0.000 0.468 56 T N 5.260 119.317 114.554 -0.828 0.000 2.824 56 T HA 0.379 4.731 4.350 0.003 0.000 0.280 56 T C 0.940 175.189 174.700 -0.752 0.000 0.995 56 T CA -0.414 61.341 62.100 -0.574 0.000 1.009 56 T CB 1.154 69.725 68.868 -0.494 0.000 0.955 56 T HN 0.630 nan 8.240 nan 0.000 0.452 57 R N 2.029 122.370 120.500 -0.265 0.000 2.310 57 R HA 0.191 4.533 4.340 0.003 0.000 0.202 57 R C 0.570 176.791 176.300 -0.131 0.000 0.933 57 R CA -0.165 55.879 56.100 -0.094 0.000 1.054 57 R CB -0.262 30.065 30.300 0.045 0.000 0.985 57 R HN 0.556 nan 8.270 nan 0.000 0.489 58 C N 1.185 120.369 119.300 -0.193 0.000 2.580 58 C HA 0.109 4.571 4.460 0.003 0.000 0.371 58 C C 0.905 175.862 174.990 -0.056 0.000 1.308 58 C CA -0.468 58.481 59.018 -0.115 0.000 2.428 58 C CB 0.093 27.759 27.740 -0.124 0.000 2.529 58 C HN 0.673 nan 8.230 nan 0.000 0.657 59 N N 0.492 119.204 118.700 0.020 0.000 2.710 59 N HA -0.156 4.586 4.740 0.003 0.000 0.249 59 N C 0.736 176.294 175.510 0.079 0.000 1.059 59 N CA 0.919 54.021 53.050 0.087 0.000 0.720 59 N CB -1.146 37.458 38.487 0.195 0.000 0.983 59 N HN 1.359 nan 8.380 nan 0.000 0.544 60 G N -1.954 106.870 108.800 0.038 0.000 2.241 60 G HA2 0.099 4.061 3.960 0.003 0.000 0.244 60 G HA3 0.099 4.061 3.960 0.003 0.000 0.244 60 G C 0.539 175.465 174.900 0.043 0.000 0.998 60 G CA 0.303 45.434 45.100 0.051 0.000 0.621 60 G HN 1.610 nan 8.290 nan 0.000 0.519 61 G N -0.691 108.057 108.800 -0.086 0.000 3.209 61 G HA2 0.578 4.539 3.960 0.003 0.000 0.686 61 G HA3 0.578 4.539 3.960 0.003 0.000 0.686 61 G C -0.541 173.893 174.900 -0.776 0.000 1.065 61 G CA 0.636 45.505 45.100 -0.384 0.000 0.812 61 G HN 2.869 nan 8.290 nan 0.000 0.573 62 H N -1.615 116.427 119.070 -1.713 0.000 2.987 62 H HA 0.649 5.207 4.556 0.003 0.000 0.316 62 H C -0.666 173.966 175.328 -1.160 0.000 1.380 62 H CA -1.603 53.684 56.048 -1.269 0.000 1.160 62 H CB 0.075 29.575 29.762 -0.437 0.000 1.865 62 H HN 0.678 nan 8.280 nan 0.000 0.521 63 W N 0.843 122.048 121.300 -0.158 0.000 2.183 63 W HA 0.641 5.303 4.660 0.003 0.000 0.348 63 W C -0.247 176.329 176.519 0.096 0.000 1.257 63 W CA -0.590 56.790 57.345 0.058 0.000 1.324 63 W CB 0.852 30.454 29.460 0.237 0.000 1.144 63 W HN 0.452 nan 8.180 nan 0.000 0.622 64 I N 2.302 123.067 120.570 0.325 0.000 2.548 64 I HA 0.343 4.514 4.170 0.003 0.000 0.287 64 I C -0.420 175.751 176.117 0.091 0.000 1.103 64 I CA -1.147 60.252 61.300 0.166 0.000 1.049 64 I CB 1.388 39.416 38.000 0.047 0.000 1.232 64 I HN 0.447 nan 8.210 nan 0.000 0.429 65 A N 3.291 126.129 122.820 0.030 0.000 2.320 65 A HA 0.509 4.830 4.320 0.003 0.000 0.287 65 A C 0.944 178.487 177.584 -0.069 0.000 1.181 65 A CA -0.128 51.889 52.037 -0.034 0.000 0.831 65 A CB 0.257 19.208 19.000 -0.081 0.000 1.102 65 A HN 0.852 nan 8.150 nan 0.000 0.513 66 T N -0.197 114.294 114.554 -0.105 0.000 3.069 66 T HA 0.240 4.592 4.350 0.003 0.000 0.252 66 T C 0.585 175.213 174.700 -0.120 0.000 1.053 66 T CA -0.053 61.966 62.100 -0.136 0.000 0.964 66 T CB 0.049 68.799 68.868 -0.197 0.000 1.005 66 T HN 0.518 nan 8.240 nan 0.000 0.532 67 R N 0.218 120.647 120.500 -0.118 0.000 2.686 67 R HA 0.580 4.921 4.340 0.003 0.000 0.286 67 R C 1.476 177.715 176.300 -0.103 0.000 0.969 67 R CA -0.346 55.688 56.100 -0.110 0.000 0.898 67 R CB 1.195 31.424 30.300 -0.120 0.000 1.183 67 R HN 0.206 nan 8.270 nan 0.000 0.456 68 G N 1.136 109.884 108.800 -0.087 0.000 2.469 68 G HA2 -0.347 3.614 3.960 0.003 0.000 0.220 68 G HA3 -0.347 3.614 3.960 0.003 0.000 0.220 68 G C 1.068 175.910 174.900 -0.095 0.000 1.136 68 G CA 0.953 46.001 45.100 -0.086 0.000 0.759 68 G HN 0.662 nan 8.290 nan 0.000 0.562 69 Q N -0.526 119.220 119.800 -0.090 0.000 2.030 69 Q HA -0.123 4.219 4.340 0.003 0.000 0.204 69 Q C 2.475 178.425 176.000 -0.083 0.000 0.986 69 Q CA 1.393 57.152 55.803 -0.073 0.000 0.843 69 Q CB -0.190 28.511 28.738 -0.061 0.000 0.904 69 Q HN 0.415 nan 8.270 nan 0.000 0.420 70 L N 0.266 121.387 121.223 -0.171 0.000 2.109 70 L HA -0.100 4.242 4.340 0.003 0.000 0.207 70 L C 2.208 179.045 176.870 -0.054 0.000 1.086 70 L CA 1.121 55.862 54.840 -0.166 0.000 0.760 70 L CB -0.361 41.508 42.059 -0.318 0.000 0.910 70 L HN 0.286 nan 8.230 nan 0.000 0.437 71 I N -0.836 119.675 120.570 -0.098 0.000 2.179 71 I HA -0.316 3.856 4.170 0.003 0.000 0.242 71 I C 2.640 178.738 176.117 -0.030 0.000 1.088 71 I CA 1.266 62.504 61.300 -0.103 0.000 1.357 71 I CB -0.259 37.724 38.000 -0.029 0.000 1.051 71 I HN 0.190 nan 8.210 nan 0.000 0.409 72 R N 0.565 121.024 120.500 -0.068 0.000 2.073 72 R HA -0.164 4.178 4.340 0.003 0.000 0.234 72 R C 2.226 178.595 176.300 0.114 0.000 1.134 72 R CA 1.451 57.450 56.100 -0.167 0.000 0.952 72 R CB -0.311 29.748 30.300 -0.401 0.000 0.850 72 R HN 0.424 nan 8.270 nan 0.000 0.433 73 E N 0.428 120.701 120.200 0.122 0.000 2.058 73 E HA -0.203 4.148 4.350 0.003 0.000 0.194 73 E C 2.076 178.794 176.600 0.196 0.000 0.997 73 E CA 1.265 57.811 56.400 0.244 0.000 0.801 73 E CB -0.130 29.798 29.700 0.379 0.000 0.746 73 E HN 0.380 nan 8.360 nan 0.000 0.450 74 A N 0.550 123.330 122.820 -0.066 0.000 1.902 74 A HA -0.186 4.135 4.320 0.003 0.000 0.217 74 A C 1.816 179.274 177.584 -0.210 0.000 1.181 74 A CA 1.241 52.926 52.037 -0.587 0.000 0.623 74 A CB -0.739 17.499 19.000 -1.270 0.000 0.818 74 A HN 0.262 nan 8.150 nan 0.000 0.443 75 Y N 0.490 120.809 120.300 0.032 0.000 2.421 75 Y HA -0.088 4.464 4.550 0.003 0.000 0.292 75 Y C 2.295 178.350 175.900 0.259 0.000 1.136 75 Y CA 1.331 59.532 58.100 0.168 0.000 1.255 75 Y CB -0.204 38.390 38.460 0.224 0.000 0.991 75 Y HN 0.496 nan 8.280 nan 0.000 0.552 76 E N -1.012 119.428 120.200 0.399 0.000 2.230 76 E HA -0.098 4.253 4.350 0.003 0.000 0.192 76 E C 0.303 177.049 176.600 0.245 0.000 0.987 76 E CA 0.558 57.152 56.400 0.323 0.000 0.841 76 E CB 0.130 30.002 29.700 0.287 0.000 0.783 76 E HN 0.135 nan 8.360 nan 0.000 0.481 77 D N 0.367 120.913 120.400 0.243 0.000 2.564 77 D HA -0.012 4.630 4.640 0.003 0.000 0.226 77 D C 0.401 176.783 176.300 0.136 0.000 1.149 77 D CA -0.462 53.613 54.000 0.126 0.000 0.994 77 D CB -0.107 40.861 40.800 0.279 0.000 1.029 77 D HN 0.168 nan 8.370 nan 0.000 0.517 78 Y N 0.889 121.279 120.300 0.150 0.000 2.509 78 Y HA 0.121 4.673 4.550 0.003 0.000 0.293 78 Y C 1.794 177.702 175.900 0.013 0.000 1.133 78 Y CA 0.323 58.500 58.100 0.128 0.000 1.283 78 Y CB -0.326 38.219 38.460 0.142 0.000 1.001 78 Y HN 0.063 nan 8.280 nan 0.000 0.555 79 R N -0.421 119.892 120.500 -0.311 0.000 2.115 79 R HA -0.041 4.301 4.340 0.003 0.000 0.226 79 R C 1.310 177.358 176.300 -0.420 0.000 1.100 79 R CA 1.681 57.584 56.100 -0.328 0.000 0.980 79 R CB -0.312 29.679 30.300 -0.515 0.000 0.875 79 R HN 0.568 nan 8.270 nan 0.000 0.445 80 H N -1.970 116.852 119.070 -0.414 0.000 2.476 80 H HA 0.120 4.678 4.556 0.003 0.000 0.292 80 H C -0.276 174.607 175.328 -0.742 0.000 1.019 80 H CA 0.222 55.828 56.048 -0.736 0.000 1.330 80 H CB 0.528 29.496 29.762 -1.323 0.000 1.451 80 H HN -0.052 nan 8.280 nan 0.000 0.535 81 F N 1.184 121.125 119.950 -0.014 0.000 2.307 81 F HA 0.283 4.812 4.527 0.003 0.000 0.369 81 F C 0.223 176.050 175.800 0.045 0.000 1.076 81 F CA -0.709 57.280 58.000 -0.020 0.000 1.149 81 F CB 1.141 40.082 39.000 -0.100 0.000 1.410 81 F HN -0.098 nan 8.300 nan 0.000 0.481 82 S N 0.857 116.652 115.700 0.159 0.000 2.584 82 S HA 0.222 4.694 4.470 0.003 0.000 0.273 82 S C 1.131 175.799 174.600 0.114 0.000 1.311 82 S CA -0.464 57.821 58.200 0.143 0.000 1.034 82 S CB 1.032 64.286 63.200 0.090 0.000 0.939 82 S HN 0.510 nan 8.310 nan 0.000 0.513 83 S N 2.734 118.492 115.700 0.096 0.000 2.603 83 S HA 0.032 4.504 4.470 0.003 0.000 0.220 83 S C 1.528 176.126 174.600 -0.003 0.000 0.967 83 S CA 0.196 58.396 58.200 0.001 0.000 0.920 83 S CB -0.222 62.910 63.200 -0.115 0.000 0.773 83 S HN 0.877 nan 8.310 nan 0.000 0.529 84 E N 0.397 120.619 120.200 0.037 0.000 2.118 84 E HA -0.180 4.172 4.350 0.003 0.000 0.195 84 E C 0.477 177.078 176.600 0.001 0.000 0.992 84 E CA 0.893 57.313 56.400 0.033 0.000 0.804 84 E CB 0.080 29.805 29.700 0.043 0.000 0.741 84 E HN 0.415 nan 8.360 nan 0.000 0.458 85 C N 1.630 120.920 119.300 -0.017 0.000 2.816 85 C HA 0.440 4.902 4.460 0.003 0.000 0.255 85 C C -1.990 172.956 174.990 -0.073 0.000 1.141 85 C CA -1.606 57.382 59.018 -0.050 0.000 1.554 85 C CB 0.944 28.682 27.740 -0.002 0.000 1.778 85 C HN 0.321 nan 8.230 nan 0.000 0.429 86 P HA 0.125 nan 4.420 nan 0.000 0.251 86 P C 0.095 177.449 177.300 0.090 0.000 1.223 86 P CA 0.439 63.466 63.100 -0.122 0.000 0.796 86 P CB 0.166 31.692 31.700 -0.289 0.000 1.068 87 F N 0.131 119.871 119.950 -0.351 0.000 2.507 87 F HA 0.429 4.958 4.527 0.003 0.000 0.327 87 F C 0.698 176.383 175.800 -0.192 0.000 1.068 87 F CA -1.546 56.285 58.000 -0.282 0.000 0.965 87 F CB 1.800 40.572 39.000 -0.380 0.000 1.192 87 F HN -0.353 nan 8.300 nan 0.000 0.476 88 I N 4.014 124.574 120.570 -0.017 0.000 2.441 88 I HA 0.301 4.472 4.170 0.003 0.000 0.295 88 I C -2.093 174.107 176.117 0.138 0.000 0.994 88 I CA -2.733 58.539 61.300 -0.047 0.000 1.144 88 I CB 1.398 39.232 38.000 -0.277 0.000 1.314 88 I HN 0.250 nan 8.210 nan 0.000 0.445 89 P HA 0.212 nan 4.420 nan 0.000 0.274 89 P C 0.677 177.997 177.300 0.034 0.000 1.256 89 P CA -0.473 62.668 63.100 0.067 0.000 0.795 89 P CB 1.237 32.972 31.700 0.059 0.000 1.038 90 R N 0.596 121.116 120.500 0.032 0.000 2.117 90 R HA -0.217 4.124 4.340 0.003 0.000 0.243 90 R C 1.847 178.156 176.300 0.014 0.000 1.143 90 R CA 2.093 58.209 56.100 0.027 0.000 0.968 90 R CB -0.296 30.032 30.300 0.048 0.000 0.863 90 R HN 0.450 nan 8.270 nan 0.000 0.444 91 E N 0.112 120.327 120.200 0.025 0.000 2.085 91 E HA -0.181 4.171 4.350 0.003 0.000 0.194 91 E C 1.862 178.470 176.600 0.014 0.000 0.994 91 E CA 1.583 58.001 56.400 0.030 0.000 0.801 91 E CB -0.270 29.457 29.700 0.044 0.000 0.743 91 E HN 0.474 nan 8.360 nan 0.000 0.453 92 A N 0.830 123.640 122.820 -0.017 0.000 1.873 92 A HA -0.014 4.307 4.320 0.003 0.000 0.215 92 A C 2.497 179.842 177.584 -0.399 0.000 1.186 92 A CA 1.603 53.522 52.037 -0.197 0.000 0.616 92 A CB -1.281 17.647 19.000 -0.119 0.000 0.823 92 A HN 0.348 nan 8.150 nan 0.000 0.442 93 G N -0.440 108.249 108.800 -0.185 0.000 2.442 93 G HA2 -0.225 3.737 3.960 0.003 0.000 0.219 93 G HA3 -0.225 3.737 3.960 0.003 0.000 0.219 93 G C 1.424 176.248 174.900 -0.127 0.000 1.141 93 G CA 1.060 46.052 45.100 -0.181 0.000 0.763 93 G HN 0.661 nan 8.290 nan 0.000 0.554 94 E N 0.248 120.411 120.200 -0.062 0.000 2.152 94 E HA 0.091 4.443 4.350 0.003 0.000 0.192 94 E C 2.797 179.396 176.600 -0.002 0.000 0.983 94 E CA 0.596 56.986 56.400 -0.016 0.000 0.818 94 E CB -0.062 29.644 29.700 0.009 0.000 0.758 94 E HN 0.428 nan 8.360 nan 0.000 0.467 95 A N 0.675 123.498 122.820 0.006 0.000 2.067 95 A HA -0.093 4.228 4.320 0.003 0.000 0.217 95 A C 0.713 178.341 177.584 0.072 0.000 1.156 95 A CA 0.054 52.139 52.037 0.079 0.000 0.683 95 A CB -0.341 18.794 19.000 0.224 0.000 0.808 95 A HN 0.296 nan 8.150 nan 0.000 0.455 96 Y N 2.659 122.817 120.300 -0.235 0.000 2.754 96 Y HA 0.188 4.740 4.550 0.003 0.000 0.349 96 Y C 0.193 175.929 175.900 -0.273 0.000 1.179 96 Y CA -0.249 57.619 58.100 -0.388 0.000 1.538 96 Y CB 0.362 38.330 38.460 -0.820 0.000 1.200 96 Y HN 0.438 nan 8.280 nan 0.000 0.522 97 D N 4.117 124.262 120.400 -0.424 0.000 2.620 97 D HA 0.033 4.675 4.640 0.003 0.000 0.260 97 D C -0.571 175.645 176.300 -0.139 0.000 1.367 97 D CA -0.390 53.514 54.000 -0.160 0.000 0.805 97 D CB -0.907 39.863 40.800 -0.049 0.000 1.096 97 D HN 0.148 nan 8.370 nan 0.000 0.488 98 F N 1.198 120.931 119.950 -0.360 0.000 2.595 98 F HA 0.247 4.776 4.527 0.003 0.000 0.359 98 F C 1.248 177.005 175.800 -0.071 0.000 1.147 98 F CA -0.435 57.433 58.000 -0.220 0.000 1.341 98 F CB 0.403 39.179 39.000 -0.373 0.000 1.104 98 F HN -0.094 nan 8.300 nan 0.000 0.603 99 I N 4.872 125.535 120.570 0.154 0.000 2.441 99 I HA 0.232 4.404 4.170 0.003 0.000 0.295 99 I C -1.626 174.544 176.117 0.088 0.000 0.994 99 I CA -1.750 59.560 61.300 0.017 0.000 1.144 99 I CB 2.500 40.371 38.000 -0.215 0.000 1.314 99 I HN 0.376 nan 8.210 nan 0.000 0.445 100 P HA 0.071 nan 4.420 nan 0.000 0.261 100 P C 0.921 178.391 177.300 0.283 0.000 1.268 100 P CA 0.286 63.479 63.100 0.156 0.000 0.833 100 P CB 0.237 32.046 31.700 0.181 0.000 1.231 101 T N 0.228 114.969 114.554 0.311 0.000 2.929 101 T HA -0.093 4.258 4.350 0.003 0.000 0.271 101 T C 1.765 176.598 174.700 0.221 0.000 1.085 101 T CA 1.986 64.275 62.100 0.314 0.000 1.125 101 T CB -0.507 68.582 68.868 0.368 0.000 0.874 101 T HN 0.318 nan 8.240 nan 0.000 0.494 102 S N -0.067 115.806 115.700 0.289 0.000 2.575 102 S HA 0.329 4.800 4.470 0.003 0.000 0.215 102 S C 0.475 175.153 174.600 0.130 0.000 0.966 102 S CA -0.429 57.894 58.200 0.205 0.000 0.911 102 S CB -0.420 62.926 63.200 0.243 0.000 0.780 102 S HN 0.352 nan 8.310 nan 0.000 0.514 103 M N 1.870 121.574 119.600 0.174 0.000 2.578 103 M HA 0.523 5.004 4.480 0.003 0.000 0.321 103 M C -0.960 175.477 176.300 0.227 0.000 1.182 103 M CA -0.654 54.739 55.300 0.154 0.000 0.965 103 M CB 1.350 34.019 32.600 0.115 0.000 1.694 103 M HN 0.014 nan 8.290 nan 0.000 0.461 104 D N 1.404 121.889 120.400 0.142 0.000 2.272 104 D HA 0.500 5.142 4.640 0.003 0.000 0.247 104 D C -2.528 173.726 176.300 -0.078 0.000 0.990 104 D CA -1.269 52.788 54.000 0.095 0.000 0.931 104 D CB 1.444 42.320 40.800 0.126 0.000 1.195 104 D HN 0.147 nan 8.370 nan 0.000 0.477 105 P HA 0.104 nan 4.420 nan 0.000 0.272 105 P C -1.707 175.469 177.300 -0.206 0.000 1.223 105 P CA -0.854 62.010 63.100 -0.394 0.000 0.784 105 P CB 0.430 31.650 31.700 -0.801 0.000 0.923 106 P HA -0.050 nan 4.420 nan 0.000 0.227 106 P C 0.748 178.037 177.300 -0.018 0.000 1.161 106 P CA 1.152 64.222 63.100 -0.051 0.000 0.788 106 P CB 0.275 31.975 31.700 -0.001 0.000 0.822 107 E N 0.655 120.869 120.200 0.023 0.000 2.118 107 E HA -0.214 4.138 4.350 0.003 0.000 0.195 107 E C 2.330 179.023 176.600 0.156 0.000 0.992 107 E CA 1.110 57.565 56.400 0.092 0.000 0.804 107 E CB -0.799 28.966 29.700 0.109 0.000 0.741 107 E HN 0.350 nan 8.360 nan 0.000 0.458 108 Q N 0.860 120.712 119.800 0.087 0.000 2.135 108 Q HA -0.231 4.111 4.340 0.003 0.000 0.204 108 Q C 1.953 178.011 176.000 0.097 0.000 0.981 108 Q CA 1.289 57.155 55.803 0.105 0.000 0.856 108 Q CB 0.040 28.754 28.738 -0.040 0.000 0.902 108 Q HN 0.247 nan 8.270 nan 0.000 0.425 109 R N 0.484 120.983 120.500 -0.002 0.000 2.094 109 R HA -0.236 4.106 4.340 0.003 0.000 0.239 109 R C 2.504 178.782 176.300 -0.036 0.000 1.137 109 R CA 2.171 58.251 56.100 -0.035 0.000 0.943 109 R CB -0.765 29.498 30.300 -0.063 0.000 0.850 109 R HN 0.609 nan 8.270 nan 0.000 0.433 110 Q N -0.126 119.621 119.800 -0.088 0.000 2.181 110 Q HA -0.148 4.194 4.340 0.003 0.000 0.205 110 Q C 1.719 177.550 176.000 -0.281 0.000 0.980 110 Q CA 1.667 57.334 55.803 -0.227 0.000 0.862 110 Q CB -0.380 28.138 28.738 -0.368 0.000 0.905 110 Q HN 0.328 nan 8.270 nan 0.000 0.429 111 F N 0.784 120.727 119.950 -0.011 0.000 2.270 111 F HA 0.139 4.668 4.527 0.003 0.000 0.295 111 F C 2.697 178.497 175.800 -0.001 0.000 1.087 111 F CA 0.696 58.697 58.000 0.002 0.000 1.365 111 F CB -0.073 38.939 39.000 0.020 0.000 1.056 111 F HN -0.023 nan 8.300 nan 0.000 0.506 112 R N 0.944 121.537 120.500 0.155 0.000 2.096 112 R HA -0.153 4.189 4.340 0.003 0.000 0.235 112 R C 2.302 178.623 176.300 0.035 0.000 1.127 112 R CA 1.292 57.436 56.100 0.073 0.000 0.968 112 R CB -0.443 29.860 30.300 0.004 0.000 0.861 112 R HN 0.253 nan 8.270 nan 0.000 0.440 113 A N 1.226 124.049 122.820 0.004 0.000 1.908 113 A HA -0.188 4.134 4.320 0.003 0.000 0.218 113 A C 2.034 179.616 177.584 -0.004 0.000 1.181 113 A CA 1.384 53.412 52.037 -0.015 0.000 0.627 113 A CB -0.642 18.333 19.000 -0.043 0.000 0.818 113 A HN 0.398 nan 8.150 nan 0.000 0.445 114 L N -0.271 120.953 121.223 0.003 0.000 2.046 114 L HA -0.036 4.306 4.340 0.003 0.000 0.208 114 L C 2.649 179.541 176.870 0.038 0.000 1.077 114 L CA 2.220 57.069 54.840 0.015 0.000 0.747 114 L CB -0.887 41.186 42.059 0.024 0.000 0.896 114 L HN 0.340 nan 8.230 nan 0.000 0.432 115 A N -0.466 122.392 122.820 0.063 0.000 1.933 115 A HA -0.262 4.060 4.320 0.003 0.000 0.218 115 A C 2.195 179.805 177.584 0.044 0.000 1.175 115 A CA 1.778 53.853 52.037 0.063 0.000 0.628 115 A CB -0.976 18.072 19.000 0.080 0.000 0.814 115 A HN 0.602 nan 8.150 nan 0.000 0.444 116 N N -0.051 118.669 118.700 0.033 0.000 2.223 116 N HA -0.171 4.571 4.740 0.003 0.000 0.185 116 N C 1.818 177.339 175.510 0.019 0.000 1.016 116 N CA 1.790 54.856 53.050 0.026 0.000 0.863 116 N CB -0.351 38.145 38.487 0.016 0.000 0.983 116 N HN 0.653 nan 8.380 nan 0.000 0.429 117 Q N -0.621 119.186 119.800 0.011 0.000 2.224 117 Q HA -0.061 4.280 4.340 0.003 0.000 0.203 117 Q C 1.886 177.888 176.000 0.004 0.000 0.970 117 Q CA 1.484 57.288 55.803 0.002 0.000 0.865 117 Q CB 0.118 28.853 28.738 -0.005 0.000 0.922 117 Q HN 0.482 nan 8.270 nan 0.000 0.445 118 V N -2.678 117.244 119.914 0.013 0.000 3.174 118 V HA 0.033 4.154 4.120 0.003 0.000 0.254 118 V C 1.628 177.731 176.094 0.015 0.000 1.120 118 V CA 0.744 63.049 62.300 0.009 0.000 1.114 118 V CB 0.255 32.086 31.823 0.013 0.000 0.756 118 V HN 0.249 nan 8.190 nan 0.000 0.467 119 V N -2.229 117.704 119.914 0.032 0.000 3.398 119 V HA 0.688 4.809 4.120 0.003 0.000 0.298 119 V C 1.116 177.239 176.094 0.048 0.000 1.496 119 V CA 0.194 62.521 62.300 0.044 0.000 1.044 119 V CB -0.617 31.247 31.823 0.069 0.000 0.880 119 V HN 0.445 nan 8.190 nan 0.000 0.443 120 G N -0.203 108.622 108.800 0.042 0.000 2.683 120 G HA2 0.289 4.250 3.960 0.003 0.000 0.260 120 G HA3 0.289 4.250 3.960 0.003 0.000 0.260 120 G C 0.550 175.466 174.900 0.026 0.000 1.238 120 G CA 0.244 45.378 45.100 0.057 0.000 0.934 120 G HN 0.183 nan 8.290 nan 0.000 0.534 121 M N 0.844 120.425 119.600 -0.032 0.000 2.103 121 M HA -0.080 4.402 4.480 0.003 0.000 0.255 121 M C -0.164 176.105 176.300 -0.052 0.000 1.074 121 M CA 2.088 57.331 55.300 -0.096 0.000 1.090 121 M CB -1.091 31.360 32.600 -0.248 0.000 1.325 121 M HN 0.343 nan 8.290 nan 0.000 0.403 122 P HA -0.144 nan 4.420 nan 0.000 0.216 122 P C 1.681 178.968 177.300 -0.020 0.000 1.150 122 P CA 1.445 64.525 63.100 -0.033 0.000 0.843 122 P CB -0.150 31.531 31.700 -0.031 0.000 0.787 123 V N -0.878 119.028 119.914 -0.014 0.000 2.453 123 V HA -0.159 3.963 4.120 0.003 0.000 0.247 123 V C 2.424 178.515 176.094 -0.005 0.000 1.048 123 V CA 1.498 63.792 62.300 -0.011 0.000 1.049 123 V CB -1.119 30.700 31.823 -0.007 0.000 0.672 123 V HN -0.035 nan 8.190 nan 0.000 0.457 124 V N 0.253 120.170 119.914 0.005 0.000 2.295 124 V HA -0.259 3.863 4.120 0.003 0.000 0.246 124 V C 2.322 178.423 176.094 0.011 0.000 1.049 124 V CA 2.164 64.473 62.300 0.015 0.000 1.024 124 V CB -0.741 31.103 31.823 0.035 0.000 0.648 124 V HN 0.520 nan 8.190 nan 0.000 0.447 125 D N 0.557 120.957 120.400 0.001 0.000 2.123 125 D HA -0.210 4.431 4.640 0.003 0.000 0.196 125 D C 2.209 178.511 176.300 0.003 0.000 0.992 125 D CA 1.849 55.850 54.000 0.001 0.000 0.833 125 D CB -0.288 40.505 40.800 -0.011 0.000 0.954 125 D HN 0.664 nan 8.370 nan 0.000 0.455 126 K N 0.568 120.966 120.400 -0.002 0.000 2.211 126 K HA -0.040 4.281 4.320 0.003 0.000 0.203 126 K C 1.987 178.588 176.600 0.000 0.000 1.050 126 K CA 0.782 57.067 56.287 -0.003 0.000 0.945 126 K CB -0.263 32.231 32.500 -0.010 0.000 0.732 126 K HN 0.153 nan 8.250 nan 0.000 0.451 127 L N 1.000 122.224 121.223 0.001 0.000 2.492 127 L HA 0.022 4.364 4.340 0.003 0.000 0.223 127 L C 2.273 179.156 176.870 0.022 0.000 1.132 127 L CA 0.300 55.142 54.840 0.003 0.000 0.850 127 L CB -0.231 41.823 42.059 -0.008 0.000 0.966 127 L HN 0.262 nan 8.230 nan 0.000 0.454 128 E N 1.370 121.588 120.200 0.030 0.000 2.068 128 E HA -0.299 4.053 4.350 0.003 0.000 0.207 128 E C 1.778 178.413 176.600 0.058 0.000 1.032 128 E CA 2.166 58.595 56.400 0.049 0.000 0.839 128 E CB -0.046 29.678 29.700 0.040 0.000 0.758 128 E HN 0.326 nan 8.360 nan 0.000 0.457 129 N N -0.175 118.551 118.700 0.043 0.000 2.069 129 N HA -0.140 4.601 4.740 0.003 0.000 0.191 129 N C 1.818 177.361 175.510 0.056 0.000 1.031 129 N CA 1.628 54.705 53.050 0.045 0.000 0.852 129 N CB -0.243 38.262 38.487 0.030 0.000 1.018 129 N HN 0.172 nan 8.380 nan 0.000 0.423 130 R N 0.050 120.578 120.500 0.046 0.000 2.115 130 R HA 0.082 4.424 4.340 0.003 0.000 0.230 130 R C 2.106 178.458 176.300 0.086 0.000 1.111 130 R CA 0.737 56.867 56.100 0.049 0.000 0.976 130 R CB -0.227 30.086 30.300 0.021 0.000 0.870 130 R HN 0.286 nan 8.270 nan 0.000 0.445 131 I N 0.320 120.949 120.570 0.098 0.000 2.252 131 I HA -0.271 3.901 4.170 0.003 0.000 0.245 131 I C 2.586 178.880 176.117 0.296 0.000 1.102 131 I CA 1.095 62.503 61.300 0.181 0.000 1.385 131 I CB -0.193 37.895 38.000 0.146 0.000 1.064 131 I HN 0.138 nan 8.210 nan 0.000 0.414 132 Q N 1.297 121.209 119.800 0.186 0.000 2.020 132 Q HA -0.269 4.073 4.340 0.003 0.000 0.202 132 Q C 2.157 178.235 176.000 0.131 0.000 0.982 132 Q CA 1.870 57.763 55.803 0.151 0.000 0.838 132 Q CB -0.308 28.489 28.738 0.098 0.000 0.899 132 Q HN 0.321 nan 8.270 nan 0.000 0.423 133 E N -0.250 120.015 120.200 0.109 0.000 2.058 133 E HA -0.196 4.156 4.350 0.003 0.000 0.194 133 E C 1.916 178.581 176.600 0.107 0.000 0.997 133 E CA 1.412 57.864 56.400 0.086 0.000 0.801 133 E CB -0.310 29.429 29.700 0.065 0.000 0.746 133 E HN 0.412 nan 8.360 nan 0.000 0.450 134 L N 0.875 122.193 121.223 0.158 0.000 2.056 134 L HA -0.067 4.274 4.340 0.003 0.000 0.207 134 L C 2.375 179.366 176.870 0.202 0.000 1.078 134 L CA 2.277 57.231 54.840 0.190 0.000 0.749 134 L CB -0.983 41.219 42.059 0.240 0.000 0.901 134 L HN 0.108 nan 8.230 nan 0.000 0.433 135 A N -1.093 121.857 122.820 0.216 0.000 1.883 135 A HA -0.273 4.049 4.320 0.003 0.000 0.217 135 A C 2.407 180.029 177.584 0.063 0.000 1.186 135 A CA 2.080 54.106 52.037 -0.018 0.000 0.624 135 A CB -1.539 17.379 19.000 -0.136 0.000 0.822 135 A HN 0.636 nan 8.150 nan 0.000 0.444 136 C N -0.114 119.217 119.300 0.052 0.000 2.432 136 C HA -0.087 4.375 4.460 0.003 0.000 0.277 136 C C 3.465 178.465 174.990 0.016 0.000 1.249 136 C CA 1.424 60.452 59.018 0.016 0.000 1.725 136 C CB -1.286 26.464 27.740 0.017 0.000 2.028 136 C HN 0.815 nan 8.230 nan 0.000 0.477 137 S N 1.032 116.758 115.700 0.043 0.000 2.368 137 S HA -0.120 4.351 4.470 0.003 0.000 0.225 137 S C 1.739 176.366 174.600 0.045 0.000 1.030 137 S CA 1.453 59.676 58.200 0.038 0.000 0.999 137 S CB -0.776 62.453 63.200 0.047 0.000 0.844 137 S HN 0.629 nan 8.310 nan 0.000 0.459 138 L N 0.653 121.927 121.223 0.084 0.000 2.027 138 L HA 0.007 4.348 4.340 0.003 0.000 0.206 138 L C 2.669 179.593 176.870 0.091 0.000 1.074 138 L CA 1.400 56.313 54.840 0.122 0.000 0.745 138 L CB -0.515 41.664 42.059 0.201 0.000 0.898 138 L HN 0.328 nan 8.230 nan 0.000 0.433 139 I N -0.459 120.126 120.570 0.026 0.000 2.252 139 I HA -0.256 3.916 4.170 0.003 0.000 0.245 139 I C 2.584 178.568 176.117 -0.221 0.000 1.102 139 I CA 1.049 62.219 61.300 -0.216 0.000 1.385 139 I CB -0.249 37.546 38.000 -0.341 0.000 1.064 139 I HN 0.251 nan 8.210 nan 0.000 0.414 140 E N 1.268 121.393 120.200 -0.125 0.000 2.110 140 E HA -0.184 4.167 4.350 0.003 0.000 0.193 140 E C 2.130 178.703 176.600 -0.044 0.000 0.988 140 E CA 1.804 58.148 56.400 -0.094 0.000 0.804 140 E CB -0.151 29.517 29.700 -0.054 0.000 0.745 140 E HN 0.271 nan 8.360 nan 0.000 0.458 141 S N -0.298 115.395 115.700 -0.012 0.000 2.423 141 S HA -0.017 4.454 4.470 0.003 0.000 0.231 141 S C 1.783 176.410 174.600 0.045 0.000 1.014 141 S CA 0.940 59.153 58.200 0.020 0.000 0.965 141 S CB -0.152 63.069 63.200 0.035 0.000 0.785 141 S HN 0.273 nan 8.310 nan 0.000 0.495 142 L N 0.671 121.922 121.223 0.047 0.000 2.162 142 L HA 0.091 4.433 4.340 0.003 0.000 0.205 142 L C 2.568 179.589 176.870 0.253 0.000 1.086 142 L CA 0.512 55.441 54.840 0.148 0.000 0.778 142 L CB -0.419 41.738 42.059 0.165 0.000 0.928 142 L HN 0.215 nan 8.230 nan 0.000 0.446 143 R N 1.024 121.558 120.500 0.056 0.000 2.162 143 R HA -0.218 4.123 4.340 0.003 0.000 0.245 143 R C -0.605 175.875 176.300 0.300 0.000 1.129 143 R CA 2.542 58.686 56.100 0.072 0.000 0.940 143 R CB -1.309 28.927 30.300 -0.108 0.000 0.875 143 R HN 0.247 nan 8.270 nan 0.000 0.437 144 P HA -0.078 nan 4.420 nan 0.000 0.233 144 P C 0.290 177.634 177.300 0.075 0.000 1.167 144 P CA 1.173 64.342 63.100 0.116 0.000 0.770 144 P CB 0.036 31.769 31.700 0.054 0.000 0.837 145 Q N -0.559 119.284 119.800 0.072 0.000 2.378 145 Q HA 0.111 4.453 4.340 0.003 0.000 0.205 145 Q C 1.481 177.309 176.000 -0.287 0.000 0.954 145 Q CA 0.718 56.484 55.803 -0.061 0.000 0.901 145 Q CB -0.434 28.286 28.738 -0.031 0.000 0.981 145 Q HN 0.257 nan 8.270 nan 0.000 0.483 146 G N 2.074 110.571 108.800 -0.505 0.000 2.187 146 G HA2 -0.323 3.639 3.960 0.003 0.000 0.261 146 G HA3 -0.323 3.639 3.960 0.003 0.000 0.261 146 G C -0.055 173.837 174.900 -1.679 0.000 1.000 146 G CA 0.999 45.310 45.100 -1.314 0.000 0.718 146 G HN 0.487 nan 8.290 nan 0.000 0.519 147 Q N -2.172 116.663 119.800 -1.609 0.000 2.776 147 Q HA 0.584 4.926 4.340 0.003 0.000 0.289 147 Q C -0.458 175.330 176.000 -0.354 0.000 0.912 147 Q CA -0.747 54.486 55.803 -0.950 0.000 0.789 147 Q CB 1.258 29.740 28.738 -0.426 0.000 1.498 147 Q HN 1.577 nan 8.270 nan 0.000 0.408 148 C N -0.792 118.514 119.300 0.010 0.000 3.253 148 C HA 0.624 5.086 4.460 0.003 0.000 0.342 148 C C -1.669 173.451 174.990 0.216 0.000 1.306 148 C CA -0.780 58.365 59.018 0.212 0.000 1.207 148 C CB 0.851 28.877 27.740 0.476 0.000 1.479 148 C HN 1.034 nan 8.230 nan 0.000 0.469 149 N N 0.938 119.747 118.700 0.181 0.000 2.699 149 N HA 0.371 5.113 4.740 0.003 0.000 0.232 149 N C 0.306 175.931 175.510 0.192 0.000 1.027 149 N CA -0.524 52.619 53.050 0.155 0.000 0.920 149 N CB 0.574 39.116 38.487 0.091 0.000 1.148 149 N HN 0.622 nan 8.380 nan 0.000 0.509 150 F N 2.096 122.110 119.950 0.107 0.000 2.115 150 F HA -0.320 4.208 4.527 0.002 0.000 0.300 150 F C 2.628 178.476 175.800 0.079 0.000 1.092 150 F CA 1.999 60.053 58.000 0.091 0.000 1.245 150 F CB -0.314 38.672 39.000 -0.024 0.000 0.995 150 F HN 0.419 nan 8.300 nan 0.000 0.481 151 T N -2.343 112.255 114.554 0.074 0.000 2.708 151 T HA -0.228 4.124 4.350 0.003 0.000 0.266 151 T C 1.737 176.390 174.700 -0.079 0.000 1.037 151 T CA 1.764 63.848 62.100 -0.026 0.000 1.146 151 T CB -0.703 68.177 68.868 0.019 0.000 0.865 151 T HN 0.496 nan 8.240 nan 0.000 0.435 152 E N 1.031 121.216 120.200 -0.025 0.000 2.112 152 E HA -0.050 4.301 4.350 0.003 0.000 0.190 152 E C 1.810 178.396 176.600 -0.024 0.000 0.979 152 E CA 1.049 57.438 56.400 -0.017 0.000 0.814 152 E CB -0.011 29.698 29.700 0.015 0.000 0.762 152 E HN 0.543 nan 8.360 nan 0.000 0.460 153 D N -1.117 119.279 120.400 -0.007 0.000 2.348 153 D HA -0.032 4.609 4.640 0.003 0.000 0.211 153 D C 0.740 177.064 176.300 0.041 0.000 0.998 153 D CA 0.769 54.794 54.000 0.041 0.000 0.873 153 D CB 0.377 41.254 40.800 0.128 0.000 0.925 153 D HN 0.207 nan 8.370 nan 0.000 0.524 154 Y N -0.283 119.834 120.300 -0.305 0.000 3.032 154 Y HA 0.298 4.850 4.550 0.003 0.000 0.232 154 Y C 1.979 177.647 175.900 -0.387 0.000 1.099 154 Y CA 0.553 58.437 58.100 -0.360 0.000 1.328 154 Y CB -0.207 37.944 38.460 -0.513 0.000 1.432 154 Y HN -0.149 nan 8.280 nan 0.000 0.433 155 A N 0.995 123.467 122.820 -0.580 0.000 1.917 155 A HA -0.230 4.092 4.320 0.003 0.000 0.219 155 A C 1.795 179.300 177.584 -0.132 0.000 1.182 155 A CA 2.514 54.394 52.037 -0.261 0.000 0.633 155 A CB -0.608 18.279 19.000 -0.188 0.000 0.819 155 A HN 0.697 nan 8.150 nan 0.000 0.448 156 E N -0.915 119.199 120.200 -0.143 0.000 2.030 156 E HA -0.073 4.279 4.350 0.003 0.000 0.189 156 E C -0.499 176.047 176.600 -0.091 0.000 0.974 156 E CA 0.695 57.042 56.400 -0.088 0.000 0.807 156 E CB -0.630 29.033 29.700 -0.062 0.000 0.771 156 E HN 0.509 nan 8.360 nan 0.000 0.451 157 P HA -0.209 nan 4.420 nan 0.000 0.216 157 P C 1.403 178.653 177.300 -0.084 0.000 1.150 157 P CA 1.207 64.261 63.100 -0.077 0.000 0.837 157 P CB -0.069 31.595 31.700 -0.059 0.000 0.786 158 F N 3.529 123.253 119.950 -0.376 0.000 2.014 158 F HA -0.073 4.456 4.527 0.004 0.000 0.295 158 F C -0.712 174.981 175.800 -0.178 0.000 1.145 158 F CA 1.783 59.547 58.000 -0.394 0.000 1.178 158 F CB -2.126 36.363 39.000 -0.851 0.000 0.972 158 F HN -0.038 nan 8.300 nan 0.000 0.476 159 P HA -0.129 nan 4.420 nan 0.000 0.219 159 P C 2.209 179.402 177.300 -0.178 0.000 1.150 159 P CA 1.872 64.737 63.100 -0.392 0.000 0.814 159 P CB -0.188 31.412 31.700 -0.166 0.000 0.787 160 I N -0.044 120.464 120.570 -0.103 0.000 2.202 160 I HA -0.187 3.984 4.170 0.003 0.000 0.242 160 I C 2.864 178.993 176.117 0.020 0.000 1.091 160 I CA 1.360 62.651 61.300 -0.014 0.000 1.368 160 I CB -0.524 37.464 38.000 -0.021 0.000 1.058 160 I HN -0.138 nan 8.210 nan 0.000 0.410 161 R N 0.475 120.953 120.500 -0.037 0.000 2.096 161 R HA -0.130 4.211 4.340 0.003 0.000 0.235 161 R C 2.281 178.554 176.300 -0.046 0.000 1.127 161 R CA 1.155 57.239 56.100 -0.026 0.000 0.968 161 R CB -0.210 30.074 30.300 -0.026 0.000 0.861 161 R HN 0.274 nan 8.270 nan 0.000 0.440 162 I N 0.214 120.719 120.570 -0.107 0.000 2.226 162 I HA -0.268 3.904 4.170 0.003 0.000 0.245 162 I C 2.198 178.281 176.117 -0.058 0.000 1.100 162 I CA 1.321 62.550 61.300 -0.118 0.000 1.374 162 I CB -0.884 36.973 38.000 -0.239 0.000 1.057 162 I HN 0.074 nan 8.210 nan 0.000 0.413 163 F N 1.555 121.433 119.950 -0.120 0.000 2.102 163 F HA -0.222 4.307 4.527 0.002 0.000 0.298 163 F C 2.560 178.331 175.800 -0.049 0.000 1.105 163 F CA 1.552 59.504 58.000 -0.079 0.000 1.239 163 F CB -0.172 38.783 39.000 -0.075 0.000 0.991 163 F HN -0.084 nan 8.300 nan 0.000 0.474 164 M N -0.197 119.385 119.600 -0.030 0.000 2.213 164 M HA -0.142 4.339 4.480 0.003 0.000 0.263 164 M C 2.238 178.448 176.300 -0.150 0.000 1.062 164 M CA 1.180 56.430 55.300 -0.083 0.000 1.105 164 M CB -1.505 31.117 32.600 0.038 0.000 1.385 164 M HN 0.393 nan 8.290 nan 0.000 0.417 165 L N 0.659 121.805 121.223 -0.128 0.000 2.027 165 L HA -0.121 4.221 4.340 0.003 0.000 0.206 165 L C 2.226 179.000 176.870 -0.160 0.000 1.074 165 L CA 1.488 56.263 54.840 -0.109 0.000 0.745 165 L CB -1.039 40.974 42.059 -0.077 0.000 0.898 165 L HN 0.212 nan 8.230 nan 0.000 0.433 166 L N 0.381 121.466 121.223 -0.230 0.000 2.042 166 L HA -0.071 4.271 4.340 0.003 0.000 0.210 166 L C 2.294 178.976 176.870 -0.314 0.000 1.076 166 L CA 2.150 56.836 54.840 -0.257 0.000 0.749 166 L CB -1.029 40.855 42.059 -0.293 0.000 0.893 166 L HN 0.316 nan 8.230 nan 0.000 0.432 167 A N -1.041 121.491 122.820 -0.481 0.000 2.208 167 A HA 0.363 4.685 4.320 0.003 0.000 0.209 167 A C 1.617 179.093 177.584 -0.180 0.000 1.161 167 A CA 0.547 52.354 52.037 -0.383 0.000 0.782 167 A CB -1.029 17.634 19.000 -0.561 0.000 0.816 167 A HN 0.870 nan 8.150 nan 0.000 0.477 168 G N -0.612 108.099 108.800 -0.148 0.000 2.273 168 G HA2 -0.218 3.744 3.960 0.003 0.000 0.280 168 G HA3 -0.218 3.744 3.960 0.003 0.000 0.280 168 G C -0.128 174.750 174.900 -0.037 0.000 1.047 168 G CA 0.611 45.665 45.100 -0.077 0.000 0.869 168 G HN 0.486 nan 8.290 nan 0.000 0.502 169 L N -0.375 120.835 121.223 -0.022 0.000 2.334 169 L HA 0.483 4.824 4.340 0.003 0.000 0.276 169 L C -1.967 174.938 176.870 0.057 0.000 1.014 169 L CA -2.542 52.330 54.840 0.054 0.000 0.815 169 L CB 1.948 44.088 42.059 0.134 0.000 1.268 169 L HN -0.138 nan 8.230 nan 0.000 0.428 170 P HA 0.020 nan 4.420 nan 0.000 0.264 170 P C 0.094 177.435 177.300 0.069 0.000 1.193 170 P CA 0.063 63.201 63.100 0.064 0.000 0.763 170 P CB 0.525 32.268 31.700 0.073 0.000 0.810 171 E N 2.593 122.820 120.200 0.045 0.000 2.204 171 E HA -0.226 4.126 4.350 0.003 0.000 0.195 171 E C 1.409 178.036 176.600 0.044 0.000 0.990 171 E CA 0.979 57.403 56.400 0.041 0.000 0.821 171 E CB 0.001 29.716 29.700 0.026 0.000 0.750 171 E HN 0.688 nan 8.360 nan 0.000 0.477 172 E N 1.043 121.271 120.200 0.047 0.000 2.401 172 E HA -0.187 4.164 4.350 0.003 0.000 0.199 172 E C 0.754 177.391 176.600 0.061 0.000 1.023 172 E CA 0.950 57.377 56.400 0.046 0.000 0.859 172 E CB 0.024 29.748 29.700 0.040 0.000 0.780 172 E HN 0.117 nan 8.360 nan 0.000 0.523 173 D N 0.734 121.184 120.400 0.083 0.000 2.349 173 D HA 0.085 4.727 4.640 0.003 0.000 0.215 173 D C 1.743 178.069 176.300 0.044 0.000 1.016 173 D CA 0.179 54.238 54.000 0.099 0.000 0.870 173 D CB 0.036 40.944 40.800 0.181 0.000 0.917 173 D HN 0.298 nan 8.370 nan 0.000 0.524 174 I N 1.439 122.033 120.570 0.039 0.000 2.163 174 I HA -0.220 3.951 4.170 0.003 0.000 0.243 174 I C -0.597 175.533 176.117 0.022 0.000 1.085 174 I CA 1.242 62.552 61.300 0.018 0.000 1.347 174 I CB -1.223 36.790 38.000 0.021 0.000 1.044 174 I HN 0.008 nan 8.210 nan 0.000 0.408 175 P HA -0.228 nan 4.420 nan 0.000 0.215 175 P C 1.634 178.997 177.300 0.106 0.000 1.157 175 P CA 1.636 64.774 63.100 0.063 0.000 0.874 175 P CB -0.231 31.502 31.700 0.055 0.000 0.790 176 H N -0.278 118.791 119.070 -0.001 0.000 2.299 176 H HA -0.047 4.511 4.556 0.003 0.000 0.302 176 H C 1.879 177.208 175.328 0.001 0.000 1.078 176 H CA 1.218 57.272 56.048 0.010 0.000 1.323 176 H CB -0.458 29.291 29.762 -0.022 0.000 1.381 176 H HN 0.003 nan 8.280 nan 0.000 0.498 177 L N 0.607 121.728 121.223 -0.170 0.000 2.046 177 L HA -0.175 4.167 4.340 0.003 0.000 0.208 177 L C 2.763 179.526 176.870 -0.178 0.000 1.077 177 L CA 1.393 56.066 54.840 -0.279 0.000 0.747 177 L CB -0.404 41.488 42.059 -0.278 0.000 0.896 177 L HN 0.159 nan 8.230 nan 0.000 0.432 178 K N 0.093 120.440 120.400 -0.087 0.000 2.097 178 K HA -0.251 4.071 4.320 0.003 0.000 0.206 178 K C 2.134 178.704 176.600 -0.050 0.000 1.049 178 K CA 1.551 57.802 56.287 -0.060 0.000 0.933 178 K CB -0.631 31.858 32.500 -0.018 0.000 0.717 178 K HN 0.267 nan 8.250 nan 0.000 0.442 179 Y N 0.728 120.964 120.300 -0.108 0.000 2.145 179 Y HA -0.141 4.411 4.550 0.003 0.000 0.286 179 Y C 1.576 177.403 175.900 -0.123 0.000 1.145 179 Y CA 1.814 59.859 58.100 -0.091 0.000 1.148 179 Y CB -0.229 38.188 38.460 -0.072 0.000 0.981 179 Y HN 0.023 nan 8.280 nan 0.000 0.507 180 L N -0.186 120.840 121.223 -0.329 0.000 2.017 180 L HA -0.228 4.114 4.340 0.003 0.000 0.208 180 L C 2.692 179.376 176.870 -0.310 0.000 1.073 180 L CA 2.066 56.671 54.840 -0.393 0.000 0.745 180 L CB -1.308 40.554 42.059 -0.328 0.000 0.894 180 L HN 0.410 nan 8.230 nan 0.000 0.432 181 T N -3.493 110.932 114.554 -0.216 0.000 2.720 181 T HA -0.211 4.141 4.350 0.003 0.000 0.268 181 T C 1.484 176.129 174.700 -0.090 0.000 1.037 181 T CA 1.550 63.576 62.100 -0.124 0.000 1.144 181 T CB -0.474 68.328 68.868 -0.110 0.000 0.864 181 T HN 0.194 nan 8.240 nan 0.000 0.444 182 D N 1.157 121.473 120.400 -0.139 0.000 2.178 182 D HA -0.064 4.578 4.640 0.003 0.000 0.201 182 D C 2.403 178.633 176.300 -0.117 0.000 0.980 182 D CA 0.795 54.735 54.000 -0.101 0.000 0.842 182 D CB -0.305 40.434 40.800 -0.103 0.000 0.948 182 D HN 0.367 nan 8.370 nan 0.000 0.472 183 Q N -0.523 119.124 119.800 -0.255 0.000 2.291 183 Q HA 0.054 4.396 4.340 0.003 0.000 0.205 183 Q C 2.041 178.018 176.000 -0.038 0.000 0.970 183 Q CA 0.539 56.211 55.803 -0.219 0.000 0.876 183 Q CB -0.167 28.341 28.738 -0.384 0.000 0.935 183 Q HN 0.446 nan 8.270 nan 0.000 0.455 184 M N -0.448 119.172 119.600 0.034 0.000 2.435 184 M HA -0.045 4.437 4.480 0.003 0.000 0.265 184 M C 1.771 178.327 176.300 0.425 0.000 1.104 184 M CA 1.519 57.009 55.300 0.317 0.000 1.140 184 M CB 0.114 32.901 32.600 0.313 0.000 1.372 184 M HN 0.228 nan 8.290 nan 0.000 0.456 185 T N -2.234 112.462 114.554 0.237 0.000 3.042 185 T HA 0.178 4.530 4.350 0.003 0.000 0.245 185 T C 1.040 175.869 174.700 0.214 0.000 1.029 185 T CA -0.074 62.140 62.100 0.191 0.000 1.120 185 T CB 0.161 69.105 68.868 0.126 0.000 0.917 185 T HN 0.244 nan 8.240 nan 0.000 0.467 186 R N 2.287 122.880 120.500 0.155 0.000 2.653 186 R HA 0.326 4.667 4.340 0.003 0.000 0.269 186 R C -2.975 173.359 176.300 0.058 0.000 1.603 186 R CA -1.624 54.575 56.100 0.165 0.000 1.671 186 R CB 1.267 31.645 30.300 0.131 0.000 1.300 186 R HN 0.362 nan 8.270 nan 0.000 0.668 187 P HA -0.042 nan 4.420 nan 0.000 0.265 187 P C -0.395 176.874 177.300 -0.052 0.000 1.193 187 P CA 0.288 63.349 63.100 -0.065 0.000 0.765 187 P CB 0.897 32.530 31.700 -0.112 0.000 0.823 188 D N 1.138 121.522 120.400 -0.027 0.000 2.369 188 D HA 0.154 4.795 4.640 0.003 0.000 0.211 188 D C 1.396 177.696 176.300 0.001 0.000 1.077 188 D CA 0.386 54.388 54.000 0.003 0.000 0.842 188 D CB -0.155 40.668 40.800 0.038 0.000 0.947 188 D HN 0.595 nan 8.370 nan 0.000 0.509 189 G N 0.128 108.920 108.800 -0.014 0.000 2.238 189 G HA2 -0.340 3.622 3.960 0.003 0.000 0.217 189 G HA3 -0.340 3.622 3.960 0.003 0.000 0.217 189 G C 1.329 176.240 174.900 0.018 0.000 0.996 189 G CA 0.550 45.646 45.100 -0.007 0.000 0.632 189 G HN 0.572 nan 8.290 nan 0.000 0.503 190 S N -0.475 115.255 115.700 0.050 0.000 2.402 190 S HA 0.401 4.872 4.470 0.003 0.000 0.229 190 S C 1.033 175.680 174.600 0.079 0.000 1.021 190 S CA 1.364 59.616 58.200 0.087 0.000 0.974 190 S CB 0.057 63.361 63.200 0.174 0.000 0.800 190 S HN 0.557 nan 8.310 nan 0.000 0.484 191 M N 1.706 121.332 119.600 0.044 0.000 2.501 191 M HA 0.352 4.834 4.480 0.003 0.000 0.293 191 M C -0.544 175.749 176.300 -0.012 0.000 1.192 191 M CA -0.601 54.709 55.300 0.016 0.000 0.886 191 M CB 2.633 35.231 32.600 -0.002 0.000 1.710 191 M HN 0.228 nan 8.290 nan 0.000 0.457 192 T N -1.534 113.019 114.554 -0.002 0.000 2.816 192 T HA 0.294 4.645 4.350 0.003 0.000 0.282 192 T C 0.722 175.439 174.700 0.029 0.000 0.993 192 T CA -0.524 61.591 62.100 0.026 0.000 0.994 192 T CB 0.856 69.747 68.868 0.039 0.000 1.025 192 T HN 0.588 nan 8.240 nan 0.000 0.529 193 F N 1.414 121.347 119.950 -0.028 0.000 2.126 193 F HA 0.002 4.531 4.527 0.003 0.000 0.299 193 F C 2.567 178.320 175.800 -0.078 0.000 1.096 193 F CA 1.857 59.844 58.000 -0.022 0.000 1.255 193 F CB -0.954 38.070 39.000 0.040 0.000 0.997 193 F HN 0.736 nan 8.300 nan 0.000 0.479 194 A N 0.203 123.063 122.820 0.067 0.000 1.908 194 A HA -0.244 4.078 4.320 0.003 0.000 0.218 194 A C 2.097 179.586 177.584 -0.159 0.000 1.181 194 A CA 2.074 54.085 52.037 -0.043 0.000 0.627 194 A CB -0.937 18.090 19.000 0.045 0.000 0.818 194 A HN 0.603 nan 8.150 nan 0.000 0.445 195 E N -0.320 119.816 120.200 -0.107 0.000 2.072 195 E HA -0.059 4.292 4.350 0.003 0.000 0.191 195 E C 2.328 178.837 176.600 -0.152 0.000 0.985 195 E CA 0.892 57.238 56.400 -0.090 0.000 0.801 195 E CB -0.308 29.373 29.700 -0.032 0.000 0.750 195 E HN 0.617 nan 8.360 nan 0.000 0.452 196 A N 1.839 124.519 122.820 -0.233 0.000 1.902 196 A HA -0.223 4.098 4.320 0.003 0.000 0.217 196 A C 2.089 179.440 177.584 -0.388 0.000 1.181 196 A CA 1.517 53.381 52.037 -0.288 0.000 0.623 196 A CB -0.358 18.439 19.000 -0.338 0.000 0.818 196 A HN 0.049 nan 8.150 nan 0.000 0.443 197 K N -0.265 119.769 120.400 -0.610 0.000 2.026 197 K HA -0.204 4.118 4.320 0.003 0.000 0.208 197 K C 2.095 178.341 176.600 -0.590 0.000 1.048 197 K CA 1.658 57.491 56.287 -0.756 0.000 0.929 197 K CB -0.195 31.686 32.500 -1.032 0.000 0.713 197 K HN 0.635 nan 8.250 nan 0.000 0.439 198 E N -0.097 119.895 120.200 -0.347 0.000 2.118 198 E HA -0.205 4.147 4.350 0.003 0.000 0.195 198 E C 1.660 178.248 176.600 -0.021 0.000 0.992 198 E CA 1.127 57.452 56.400 -0.124 0.000 0.804 198 E CB -0.091 29.578 29.700 -0.051 0.000 0.741 198 E HN 0.419 nan 8.360 nan 0.000 0.458 199 A N 0.747 123.540 122.820 -0.046 0.000 1.929 199 A HA -0.102 4.220 4.320 0.003 0.000 0.216 199 A C 2.073 179.712 177.584 0.092 0.000 1.176 199 A CA 0.928 52.998 52.037 0.054 0.000 0.628 199 A CB -0.466 18.562 19.000 0.048 0.000 0.816 199 A HN 0.370 nan 8.150 nan 0.000 0.444 200 L N -1.503 119.708 121.223 -0.019 0.000 2.056 200 L HA -0.099 4.243 4.340 0.003 0.000 0.207 200 L C 2.238 179.274 176.870 0.277 0.000 1.078 200 L CA 1.803 56.676 54.840 0.055 0.000 0.749 200 L CB -0.743 41.282 42.059 -0.058 0.000 0.901 200 L HN 0.448 nan 8.230 nan 0.000 0.433 201 Y N -0.304 120.055 120.300 0.098 0.000 2.200 201 Y HA -0.199 4.352 4.550 0.003 0.000 0.290 201 Y C 2.554 178.514 175.900 0.100 0.000 1.137 201 Y CA 1.167 59.324 58.100 0.094 0.000 1.163 201 Y CB -1.086 37.401 38.460 0.045 0.000 0.988 201 Y HN 0.396 nan 8.280 nan 0.000 0.518 202 D N -1.052 119.509 120.400 0.270 0.000 2.144 202 D HA -0.258 4.384 4.640 0.003 0.000 0.199 202 D C 2.132 178.549 176.300 0.195 0.000 0.984 202 D CA 1.056 55.169 54.000 0.187 0.000 0.834 202 D CB -0.361 40.534 40.800 0.159 0.000 0.955 202 D HN 0.342 nan 8.370 nan 0.000 0.465 203 Y N 0.482 120.863 120.300 0.135 0.000 2.200 203 Y HA -0.060 4.492 4.550 0.003 0.000 0.290 203 Y C 1.823 177.783 175.900 0.101 0.000 1.137 203 Y CA 1.425 59.601 58.100 0.127 0.000 1.163 203 Y CB -0.217 38.340 38.460 0.160 0.000 0.988 203 Y HN 0.016 nan 8.280 nan 0.000 0.518 204 L N -0.439 120.881 121.223 0.161 0.000 2.109 204 L HA -0.163 4.179 4.340 0.003 0.000 0.207 204 L C 2.400 179.251 176.870 -0.030 0.000 1.086 204 L CA 0.915 55.780 54.840 0.041 0.000 0.760 204 L CB -0.521 41.646 42.059 0.181 0.000 0.910 204 L HN 0.263 nan 8.230 nan 0.000 0.437 205 I N 0.597 121.169 120.570 0.004 0.000 2.091 205 I HA -0.291 3.880 4.170 0.003 0.000 0.240 205 I C -0.185 175.905 176.117 -0.046 0.000 1.046 205 I CA 1.933 63.221 61.300 -0.020 0.000 1.306 205 I CB -1.611 36.390 38.000 0.001 0.000 1.018 205 I HN 0.279 nan 8.210 nan 0.000 0.404 206 P HA -0.101 nan 4.420 nan 0.000 0.222 206 P C 1.850 179.098 177.300 -0.087 0.000 1.153 206 P CA 1.562 64.621 63.100 -0.069 0.000 0.798 206 P CB -0.046 31.610 31.700 -0.072 0.000 0.796 207 I N -0.500 119.993 120.570 -0.128 0.000 2.252 207 I HA -0.172 3.999 4.170 0.003 0.000 0.245 207 I C 2.620 178.694 176.117 -0.071 0.000 1.102 207 I CA 1.157 62.383 61.300 -0.124 0.000 1.385 207 I CB -0.472 37.413 38.000 -0.192 0.000 1.064 207 I HN -0.179 nan 8.210 nan 0.000 0.414 208 I N 0.629 121.166 120.570 -0.056 0.000 2.315 208 I HA -0.259 3.913 4.170 0.003 0.000 0.248 208 I C 2.608 178.706 176.117 -0.032 0.000 1.117 208 I CA 1.211 62.490 61.300 -0.034 0.000 1.404 208 I CB -0.233 37.751 38.000 -0.027 0.000 1.071 208 I HN 0.221 nan 8.210 nan 0.000 0.419 209 E N 1.165 121.343 120.200 -0.036 0.000 2.072 209 E HA -0.288 4.064 4.350 0.003 0.000 0.191 209 E C 2.117 178.699 176.600 -0.030 0.000 0.985 209 E CA 1.525 57.907 56.400 -0.030 0.000 0.801 209 E CB -0.219 29.463 29.700 -0.030 0.000 0.750 209 E HN 0.423 nan 8.360 nan 0.000 0.452 210 Q N -0.086 119.692 119.800 -0.037 0.000 2.084 210 Q HA -0.136 4.206 4.340 0.003 0.000 0.202 210 Q C 1.951 177.933 176.000 -0.030 0.000 0.978 210 Q CA 1.436 57.218 55.803 -0.034 0.000 0.844 210 Q CB 0.008 28.720 28.738 -0.043 0.000 0.898 210 Q HN 0.207 nan 8.270 nan 0.000 0.426 211 R N -0.660 119.821 120.500 -0.031 0.000 2.275 211 R HA 0.064 4.406 4.340 0.003 0.000 0.199 211 R C 2.044 178.331 176.300 -0.021 0.000 0.989 211 R CA 0.323 56.407 56.100 -0.026 0.000 1.016 211 R CB 0.149 30.432 30.300 -0.028 0.000 0.918 211 R HN 0.156 nan 8.270 nan 0.000 0.473 212 R N 0.001 120.489 120.500 -0.020 0.000 2.161 212 R HA 0.012 4.354 4.340 0.003 0.000 0.213 212 R C 1.918 178.209 176.300 -0.015 0.000 1.055 212 R CA 0.648 56.739 56.100 -0.016 0.000 0.996 212 R CB 0.239 30.530 30.300 -0.014 0.000 0.901 212 R HN 0.119 nan 8.270 nan 0.000 0.456 213 Q N 0.936 120.726 119.800 -0.017 0.000 2.062 213 Q HA -0.030 4.312 4.340 0.003 0.000 0.196 213 Q C 0.196 176.187 176.000 -0.015 0.000 0.967 213 Q CA 1.203 56.997 55.803 -0.016 0.000 0.832 213 Q CB 0.304 29.032 28.738 -0.016 0.000 0.899 213 Q HN 0.160 nan 8.270 nan 0.000 0.442 214 K N 1.367 121.757 120.400 -0.017 0.000 2.592 214 K HA 0.395 4.717 4.320 0.003 0.000 0.212 214 K C -2.780 173.809 176.600 -0.018 0.000 1.013 214 K CA -1.786 54.491 56.287 -0.017 0.000 1.034 214 K CB 1.723 34.213 32.500 -0.017 0.000 1.292 214 K HN -0.078 nan 8.250 nan 0.000 0.521 215 P HA 0.098 nan 4.420 nan 0.000 0.269 215 P C 0.037 177.325 177.300 -0.020 0.000 1.209 215 P CA 0.228 63.317 63.100 -0.019 0.000 0.776 215 P CB 1.267 32.957 31.700 -0.017 0.000 0.876 216 G N 0.646 109.432 108.800 -0.023 0.000 2.990 216 G HA2 0.485 4.447 3.960 0.003 0.000 0.208 216 G HA3 0.485 4.447 3.960 0.003 0.000 0.208 216 G C 0.400 175.284 174.900 -0.026 0.000 1.334 216 G CA -0.157 44.928 45.100 -0.024 0.000 1.024 216 G HN 0.484 nan 8.290 nan 0.000 0.574 217 T N -1.537 112.999 114.554 -0.029 0.000 3.085 217 T HA 0.207 4.559 4.350 0.003 0.000 0.264 217 T C 0.367 175.043 174.700 -0.040 0.000 1.019 217 T CA 0.260 62.342 62.100 -0.031 0.000 0.910 217 T CB -0.254 68.597 68.868 -0.028 0.000 1.059 217 T HN 0.584 nan 8.240 nan 0.000 0.542 218 D N 1.070 121.442 120.400 -0.048 0.000 2.358 218 D HA 0.328 4.970 4.640 0.003 0.000 0.244 218 D C 1.445 177.706 176.300 -0.067 0.000 1.163 218 D CA -0.118 53.841 54.000 -0.068 0.000 0.945 218 D CB 1.518 42.274 40.800 -0.074 0.000 1.152 218 D HN 0.094 nan 8.370 nan 0.000 0.451 219 A N 1.654 124.417 122.820 -0.094 0.000 1.940 219 A HA -0.175 4.146 4.320 0.003 0.000 0.219 219 A C 2.343 179.903 177.584 -0.041 0.000 1.176 219 A CA 1.174 53.167 52.037 -0.074 0.000 0.631 219 A CB -0.747 18.184 19.000 -0.115 0.000 0.814 219 A HN 0.690 nan 8.150 nan 0.000 0.446 220 I N -0.487 120.056 120.570 -0.046 0.000 2.252 220 I HA -0.205 3.966 4.170 0.003 0.000 0.245 220 I C 2.656 178.765 176.117 -0.014 0.000 1.102 220 I CA 1.405 62.697 61.300 -0.015 0.000 1.385 220 I CB -0.367 37.626 38.000 -0.010 0.000 1.064 220 I HN 0.236 nan 8.210 nan 0.000 0.414 221 S N 0.951 116.637 115.700 -0.024 0.000 2.368 221 S HA -0.118 4.354 4.470 0.003 0.000 0.225 221 S C 2.013 176.605 174.600 -0.015 0.000 1.030 221 S CA 1.082 59.269 58.200 -0.020 0.000 0.999 221 S CB -0.179 63.005 63.200 -0.025 0.000 0.844 221 S HN 0.260 nan 8.310 nan 0.000 0.459 222 I N 1.387 121.947 120.570 -0.016 0.000 2.208 222 I HA -0.108 4.064 4.170 0.003 0.000 0.245 222 I C 2.305 178.422 176.117 -0.000 0.000 1.097 222 I CA 1.079 62.373 61.300 -0.011 0.000 1.363 222 I CB -1.633 36.359 38.000 -0.014 0.000 1.051 222 I HN 0.156 nan 8.210 nan 0.000 0.413 223 V N 1.324 121.243 119.914 0.008 0.000 2.270 223 V HA -0.205 3.917 4.120 0.003 0.000 0.245 223 V C 2.823 178.931 176.094 0.024 0.000 1.043 223 V CA 1.768 64.083 62.300 0.026 0.000 1.014 223 V CB -1.124 30.722 31.823 0.038 0.000 0.645 223 V HN 0.454 nan 8.190 nan 0.000 0.447 224 A N 0.293 123.121 122.820 0.013 0.000 1.972 224 A HA -0.218 4.104 4.320 0.003 0.000 0.219 224 A C 1.749 179.335 177.584 0.004 0.000 1.169 224 A CA 2.248 54.289 52.037 0.007 0.000 0.635 224 A CB -0.646 18.352 19.000 -0.003 0.000 0.810 224 A HN 0.701 nan 8.150 nan 0.000 0.446 225 N N -0.831 117.869 118.700 -0.001 0.000 2.214 225 N HA 0.314 5.056 4.740 0.003 0.000 0.214 225 N C 0.680 176.186 175.510 -0.005 0.000 1.132 225 N CA 0.313 53.360 53.050 -0.005 0.000 0.856 225 N CB 0.677 39.158 38.487 -0.009 0.000 1.020 225 N HN 0.425 nan 8.380 nan 0.000 0.509 226 G N -0.151 108.649 108.800 -0.000 0.000 2.588 226 G HA2 0.370 4.332 3.960 0.003 0.000 0.281 226 G HA3 0.370 4.332 3.960 0.003 0.000 0.281 226 G C -0.453 174.439 174.900 -0.015 0.000 1.236 226 G CA -0.275 44.821 45.100 -0.006 0.000 0.969 226 G HN 0.086 nan 8.290 nan 0.000 0.504 227 Q N -1.636 118.144 119.800 -0.032 0.000 2.413 227 Q HA 0.505 4.846 4.340 0.003 0.000 0.276 227 Q C -0.965 174.976 176.000 -0.098 0.000 1.099 227 Q CA -0.928 54.843 55.803 -0.054 0.000 0.814 227 Q CB 2.858 31.566 28.738 -0.050 0.000 1.379 227 Q HN 0.510 nan 8.270 nan 0.000 0.436 228 V N -0.333 119.489 119.914 -0.153 0.000 2.350 228 V HA 0.390 4.512 4.120 0.003 0.000 0.285 228 V C -0.127 175.836 176.094 -0.218 0.000 1.014 228 V CA -0.721 61.413 62.300 -0.277 0.000 0.831 228 V CB 0.857 32.339 31.823 -0.569 0.000 1.000 228 V HN 0.965 nan 8.190 nan 0.000 0.433 229 N N 3.711 122.308 118.700 -0.172 0.000 2.705 229 N HA -0.251 4.491 4.740 0.003 0.000 0.255 229 N C 1.220 176.674 175.510 -0.092 0.000 1.008 229 N CA 0.680 53.657 53.050 -0.122 0.000 0.742 229 N CB -0.952 37.457 38.487 -0.129 0.000 0.906 229 N HN 1.717 nan 8.380 nan 0.000 0.541 230 G N -0.476 108.277 108.800 -0.079 0.000 2.217 230 G HA2 -0.354 3.608 3.960 0.003 0.000 0.246 230 G HA3 -0.354 3.608 3.960 0.003 0.000 0.246 230 G C 0.090 174.958 174.900 -0.052 0.000 0.990 230 G CA 0.744 45.809 45.100 -0.058 0.000 0.627 230 G HN 0.716 nan 8.290 nan 0.000 0.522 231 R N 0.084 120.546 120.500 -0.064 0.000 2.711 231 R HA 0.735 5.076 4.340 0.003 0.000 0.284 231 R C -3.160 173.113 176.300 -0.045 0.000 0.968 231 R CA -2.543 53.529 56.100 -0.047 0.000 0.924 231 R CB 0.518 30.793 30.300 -0.042 0.000 1.162 231 R HN 0.066 nan 8.270 nan 0.000 0.465 232 P HA -0.047 nan 4.420 nan 0.000 0.262 232 P C -0.296 177.004 177.300 -0.000 0.000 1.182 232 P CA 0.049 63.140 63.100 -0.014 0.000 0.761 232 P CB 0.418 32.114 31.700 -0.008 0.000 0.795 233 I N 2.901 123.477 120.570 0.010 0.000 2.696 233 I HA 0.111 4.282 4.170 0.003 0.000 0.284 233 I C 0.741 176.887 176.117 0.048 0.000 1.129 233 I CA -0.014 61.318 61.300 0.053 0.000 1.410 233 I CB 0.861 38.904 38.000 0.071 0.000 1.399 233 I HN 0.381 nan 8.210 nan 0.000 0.579 234 T N 2.198 116.792 114.554 0.067 0.000 2.874 234 T HA 0.225 4.577 4.350 0.003 0.000 0.281 234 T C 1.021 175.730 174.700 0.016 0.000 0.994 234 T CA -0.490 61.630 62.100 0.035 0.000 1.015 234 T CB 1.573 70.462 68.868 0.034 0.000 1.028 234 T HN 0.654 nan 8.240 nan 0.000 0.523 235 S N 0.661 116.358 115.700 -0.004 0.000 2.368 235 S HA -0.121 4.351 4.470 0.003 0.000 0.225 235 S C 1.685 176.255 174.600 -0.051 0.000 1.030 235 S CA 1.260 59.447 58.200 -0.023 0.000 0.999 235 S CB -0.532 62.652 63.200 -0.027 0.000 0.844 235 S HN 0.773 nan 8.310 nan 0.000 0.459 236 D N 1.074 121.440 120.400 -0.058 0.000 2.117 236 D HA -0.079 4.562 4.640 0.003 0.000 0.197 236 D C 1.990 178.219 176.300 -0.118 0.000 0.987 236 D CA 0.968 54.903 54.000 -0.108 0.000 0.829 236 D CB -0.258 40.490 40.800 -0.086 0.000 0.961 236 D HN 0.507 nan 8.370 nan 0.000 0.460 237 E N 0.748 120.919 120.200 -0.049 0.000 2.077 237 E HA -0.129 4.223 4.350 0.003 0.000 0.193 237 E C 2.130 178.721 176.600 -0.014 0.000 0.989 237 E CA 0.994 57.375 56.400 -0.032 0.000 0.800 237 E CB -0.043 29.724 29.700 0.112 0.000 0.746 237 E HN 0.170 nan 8.360 nan 0.000 0.452 238 A N 1.690 124.514 122.820 0.006 0.000 1.940 238 A HA -0.262 4.060 4.320 0.003 0.000 0.219 238 A C 2.065 179.638 177.584 -0.018 0.000 1.176 238 A CA 1.718 53.764 52.037 0.014 0.000 0.631 238 A CB -0.416 18.590 19.000 0.010 0.000 0.814 238 A HN 0.087 nan 8.150 nan 0.000 0.446 239 K N -0.343 120.005 120.400 -0.087 0.000 2.026 239 K HA -0.162 4.160 4.320 0.003 0.000 0.208 239 K C 2.225 178.735 176.600 -0.150 0.000 1.048 239 K CA 1.507 57.701 56.287 -0.155 0.000 0.929 239 K CB -0.209 32.094 32.500 -0.328 0.000 0.713 239 K HN 0.441 nan 8.250 nan 0.000 0.439 240 R N -0.098 120.283 120.500 -0.199 0.000 2.152 240 R HA -0.050 4.292 4.340 0.003 0.000 0.232 240 R C 2.389 178.776 176.300 0.145 0.000 1.117 240 R CA 1.579 57.698 56.100 0.031 0.000 0.981 240 R CB -0.131 30.143 30.300 -0.043 0.000 0.870 240 R HN 0.315 nan 8.270 nan 0.000 0.451 241 M N -0.743 118.884 119.600 0.045 0.000 2.160 241 M HA -0.120 4.362 4.480 0.003 0.000 0.264 241 M C 2.292 178.610 176.300 0.030 0.000 1.073 241 M CA 1.127 56.455 55.300 0.047 0.000 1.142 241 M CB -0.055 32.587 32.600 0.070 0.000 1.358 241 M HN 0.233 nan 8.290 nan 0.000 0.422 242 C N 0.419 119.751 119.300 0.054 0.000 2.422 242 C HA -0.059 4.403 4.460 0.003 0.000 0.279 242 C C 2.804 177.827 174.990 0.055 0.000 1.305 242 C CA 1.026 60.091 59.018 0.078 0.000 1.757 242 C CB -1.755 26.042 27.740 0.096 0.000 1.962 242 C HN 0.753 nan 8.230 nan 0.000 0.499 243 G N 0.418 109.261 108.800 0.071 0.000 2.418 243 G HA2 -0.191 3.771 3.960 0.003 0.000 0.217 243 G HA3 -0.191 3.771 3.960 0.003 0.000 0.217 243 G C 1.514 176.025 174.900 -0.649 0.000 1.158 243 G CA 0.944 46.028 45.100 -0.028 0.000 0.771 243 G HN 0.476 nan 8.290 nan 0.000 0.545 244 L N 0.585 121.320 121.223 -0.813 0.000 2.017 244 L HA 0.077 4.418 4.340 0.003 0.000 0.208 244 L C 2.708 179.347 176.870 -0.384 0.000 1.073 244 L CA 1.413 55.746 54.840 -0.845 0.000 0.745 244 L CB -0.487 41.335 42.059 -0.394 0.000 0.894 244 L HN 0.208 nan 8.230 nan 0.000 0.432 245 L N -1.157 119.966 121.223 -0.167 0.000 2.042 245 L HA -0.268 4.074 4.340 0.003 0.000 0.210 245 L C 2.589 179.319 176.870 -0.235 0.000 1.076 245 L CA 1.433 56.257 54.840 -0.026 0.000 0.749 245 L CB -0.680 41.506 42.059 0.211 0.000 0.893 245 L HN 0.336 nan 8.230 nan 0.000 0.432 246 L N -0.914 120.206 121.223 -0.172 0.000 2.046 246 L HA -0.210 4.131 4.340 0.003 0.000 0.208 246 L C 2.523 179.113 176.870 -0.467 0.000 1.077 246 L CA 0.997 55.637 54.840 -0.333 0.000 0.747 246 L CB -0.458 41.561 42.059 -0.066 0.000 0.896 246 L HN 0.070 nan 8.230 nan 0.000 0.432 247 V N -0.096 119.606 119.914 -0.353 0.000 2.358 247 V HA -0.196 3.925 4.120 0.003 0.000 0.246 247 V C 2.592 178.545 176.094 -0.235 0.000 1.047 247 V CA 1.936 64.090 62.300 -0.243 0.000 1.035 247 V CB -1.257 30.469 31.823 -0.162 0.000 0.658 247 V HN 0.577 nan 8.190 nan 0.000 0.452 248 G N 0.035 108.675 108.800 -0.265 0.000 2.422 248 G HA2 -0.133 3.828 3.960 0.003 0.000 0.218 248 G HA3 -0.133 3.828 3.960 0.003 0.000 0.218 248 G C 1.546 176.265 174.900 -0.302 0.000 1.146 248 G CA 0.911 45.892 45.100 -0.199 0.000 0.769 248 G HN 0.598 nan 8.290 nan 0.000 0.547 249 G N -0.028 108.374 108.800 -0.662 0.000 2.551 249 G HA2 0.138 4.100 3.960 0.003 0.000 0.216 249 G HA3 0.138 4.100 3.960 0.003 0.000 0.216 249 G C 1.310 175.927 174.900 -0.472 0.000 1.137 249 G CA 0.240 44.864 45.100 -0.793 0.000 0.798 249 G HN 0.327 nan 8.290 nan 0.000 0.536 250 L N -0.239 120.742 121.223 -0.403 0.000 2.640 250 L HA 0.383 4.725 4.340 0.003 0.000 0.230 250 L C 1.318 178.116 176.870 -0.120 0.000 1.123 250 L CA 0.680 55.391 54.840 -0.214 0.000 0.900 250 L CB 0.977 42.918 42.059 -0.197 0.000 1.146 250 L HN 0.085 nan 8.230 nan 0.000 0.484 251 D N -2.179 118.162 120.400 -0.098 0.000 2.871 251 D HA -0.043 4.598 4.640 0.003 0.000 0.291 251 D C 2.045 178.348 176.300 0.004 0.000 1.150 251 D CA 1.221 55.200 54.000 -0.036 0.000 0.999 251 D CB 0.368 41.160 40.800 -0.014 0.000 1.452 251 D HN 0.152 nan 8.370 nan 0.000 0.465 252 T N -0.443 114.117 114.554 0.009 0.000 2.516 252 T HA -0.217 4.135 4.350 0.003 0.000 0.261 252 T C 2.048 176.816 174.700 0.113 0.000 1.130 252 T CA 2.161 64.294 62.100 0.054 0.000 1.193 252 T CB -1.181 67.712 68.868 0.041 0.000 0.864 252 T HN -0.030 nan 8.240 nan 0.000 0.410 253 V N 1.737 121.713 119.914 0.104 0.000 2.392 253 V HA -0.164 3.958 4.120 0.003 0.000 0.249 253 V C 3.010 179.220 176.094 0.193 0.000 1.059 253 V CA 1.576 63.986 62.300 0.184 0.000 1.051 253 V CB -0.984 30.920 31.823 0.136 0.000 0.658 253 V HN 0.450 nan 8.190 nan 0.000 0.455 254 V N 0.964 120.934 119.914 0.093 0.000 2.282 254 V HA -0.304 3.817 4.120 0.003 0.000 0.249 254 V C 2.272 178.399 176.094 0.055 0.000 1.057 254 V CA 2.451 64.784 62.300 0.056 0.000 1.032 254 V CB -0.812 31.009 31.823 -0.003 0.000 0.645 254 V HN 0.639 nan 8.190 nan 0.000 0.447 255 N N -0.723 118.007 118.700 0.051 0.000 2.250 255 N HA -0.092 4.649 4.740 0.003 0.000 0.181 255 N C 1.783 177.300 175.510 0.011 0.000 1.017 255 N CA 1.356 54.381 53.050 -0.040 0.000 0.866 255 N CB -0.378 38.111 38.487 0.004 0.000 0.985 255 N HN 0.543 nan 8.380 nan 0.000 0.429 256 F N 2.325 122.338 119.950 0.105 0.000 2.134 256 F HA -0.048 4.481 4.527 0.003 0.000 0.299 256 F C 2.122 178.010 175.800 0.145 0.000 1.097 256 F CA 0.958 59.078 58.000 0.200 0.000 1.264 256 F CB -0.159 38.917 39.000 0.127 0.000 1.001 256 F HN -0.100 nan 8.300 nan 0.000 0.479 257 L N -0.676 120.615 121.223 0.113 0.000 2.079 257 L HA -0.254 4.087 4.340 0.003 0.000 0.210 257 L C 2.523 179.394 176.870 0.003 0.000 1.081 257 L CA 1.459 56.363 54.840 0.105 0.000 0.752 257 L CB -0.906 41.382 42.059 0.382 0.000 0.896 257 L HN 0.099 nan 8.230 nan 0.000 0.433 258 S N -0.564 115.141 115.700 0.009 0.000 2.368 258 S HA -0.103 4.369 4.470 0.003 0.000 0.224 258 S C 1.760 176.145 174.600 -0.359 0.000 1.029 258 S CA 1.105 59.247 58.200 -0.098 0.000 0.988 258 S CB -0.273 62.850 63.200 -0.129 0.000 0.838 258 S HN 0.211 nan 8.310 nan 0.000 0.462 259 F N 2.237 121.951 119.950 -0.392 0.000 2.134 259 F HA -0.089 4.439 4.527 0.003 0.000 0.299 259 F C 2.766 178.013 175.800 -0.922 0.000 1.097 259 F CA 0.910 58.535 58.000 -0.626 0.000 1.264 259 F CB -1.012 37.621 39.000 -0.613 0.000 1.001 259 F HN 0.099 nan 8.300 nan 0.000 0.479 260 S N -0.372 114.921 115.700 -0.680 0.000 2.356 260 S HA -0.174 4.298 4.470 0.003 0.000 0.223 260 S C 2.091 176.479 174.600 -0.354 0.000 1.032 260 S CA 1.190 59.048 58.200 -0.570 0.000 1.005 260 S CB -0.259 62.636 63.200 -0.509 0.000 0.867 260 S HN 0.193 nan 8.310 nan 0.000 0.449 261 M N 1.260 120.576 119.600 -0.474 0.000 2.319 261 M HA 0.008 4.489 4.480 0.003 0.000 0.265 261 M C 2.175 178.253 176.300 -0.369 0.000 1.068 261 M CA 1.042 55.988 55.300 -0.589 0.000 1.118 261 M CB -1.138 30.642 32.600 -1.366 0.000 1.395 261 M HN 0.451 nan 8.290 nan 0.000 0.435 262 E N -0.022 119.985 120.200 -0.320 0.000 2.051 262 E HA -0.228 4.123 4.350 0.003 0.000 0.192 262 E C 2.009 178.537 176.600 -0.120 0.000 0.991 262 E CA 1.152 57.452 56.400 -0.166 0.000 0.799 262 E CB -0.210 29.441 29.700 -0.083 0.000 0.748 262 E HN 0.398 nan 8.360 nan 0.000 0.449 263 F N 1.342 121.107 119.950 -0.309 0.000 2.102 263 F HA -0.167 4.362 4.527 0.003 0.000 0.298 263 F C 1.953 177.663 175.800 -0.149 0.000 1.105 263 F CA 1.369 59.236 58.000 -0.221 0.000 1.239 263 F CB -0.118 38.699 39.000 -0.305 0.000 0.991 263 F HN -0.004 nan 8.300 nan 0.000 0.474 264 L N 0.119 121.207 121.223 -0.225 0.000 2.083 264 L HA -0.176 4.166 4.340 0.003 0.000 0.209 264 L C 2.799 179.409 176.870 -0.433 0.000 1.083 264 L CA 1.049 55.720 54.840 -0.281 0.000 0.752 264 L CB -1.174 40.896 42.059 0.019 0.000 0.899 264 L HN 0.291 nan 8.230 nan 0.000 0.433 265 A N 0.050 122.706 122.820 -0.273 0.000 2.015 265 A HA -0.174 4.147 4.320 0.003 0.000 0.219 265 A C 2.165 179.572 177.584 -0.295 0.000 1.163 265 A CA 1.407 53.253 52.037 -0.319 0.000 0.646 265 A CB -0.216 18.817 19.000 0.056 0.000 0.806 265 A HN 0.341 nan 8.150 nan 0.000 0.448 266 K N -0.827 119.397 120.400 -0.293 0.000 2.393 266 K HA 0.144 4.466 4.320 0.003 0.000 0.193 266 K C 0.256 176.665 176.600 -0.318 0.000 1.026 266 K CA 0.453 56.592 56.287 -0.246 0.000 1.064 266 K CB 0.407 32.803 32.500 -0.173 0.000 0.833 266 K HN 0.219 nan 8.250 nan 0.000 0.521 267 S N 1.535 116.957 115.700 -0.463 0.000 2.395 267 S HA 0.221 4.692 4.470 0.003 0.000 0.207 267 S C -2.092 172.361 174.600 -0.245 0.000 1.454 267 S CA -1.743 56.228 58.200 -0.381 0.000 1.211 267 S CB 0.675 63.467 63.200 -0.680 0.000 1.093 267 S HN -0.060 nan 8.310 nan 0.000 0.472 268 P HA -0.122 nan 4.420 nan 0.000 0.218 268 P C 0.816 178.067 177.300 -0.082 0.000 1.148 268 P CA 1.161 64.169 63.100 -0.154 0.000 0.822 268 P CB 0.315 31.941 31.700 -0.124 0.000 0.784 269 E N -0.515 119.648 120.200 -0.062 0.000 2.077 269 E HA -0.193 4.158 4.350 0.003 0.000 0.193 269 E C 2.105 178.652 176.600 -0.088 0.000 0.989 269 E CA 1.361 57.714 56.400 -0.078 0.000 0.800 269 E CB -1.080 28.554 29.700 -0.110 0.000 0.746 269 E HN 0.486 nan 8.360 nan 0.000 0.452 270 H N -0.258 118.785 119.070 -0.044 0.000 2.395 270 H HA 0.109 4.666 4.556 0.003 0.000 0.299 270 H C 1.940 177.389 175.328 0.203 0.000 1.070 270 H CA 1.252 57.359 56.048 0.099 0.000 1.356 270 H CB 0.141 29.955 29.762 0.086 0.000 1.401 270 H HN 0.001 nan 8.280 nan 0.000 0.524 271 R N 0.159 120.752 120.500 0.155 0.000 2.073 271 R HA -0.182 4.160 4.340 0.003 0.000 0.234 271 R C 2.234 178.585 176.300 0.086 0.000 1.134 271 R CA 1.501 57.657 56.100 0.092 0.000 0.952 271 R CB -0.210 30.046 30.300 -0.073 0.000 0.850 271 R HN 0.270 nan 8.270 nan 0.000 0.433 272 Q N 1.276 121.100 119.800 0.041 0.000 2.135 272 Q HA -0.209 4.133 4.340 0.003 0.000 0.204 272 Q C 1.823 177.858 176.000 0.058 0.000 0.981 272 Q CA 1.880 57.702 55.803 0.031 0.000 0.856 272 Q CB -0.111 28.628 28.738 0.001 0.000 0.902 272 Q HN 0.379 nan 8.270 nan 0.000 0.425 273 E N -0.680 119.572 120.200 0.086 0.000 2.085 273 E HA -0.182 4.169 4.350 0.003 0.000 0.194 273 E C 1.664 178.341 176.600 0.128 0.000 0.994 273 E CA 1.229 57.698 56.400 0.115 0.000 0.801 273 E CB -0.127 29.678 29.700 0.176 0.000 0.743 273 E HN 0.468 nan 8.360 nan 0.000 0.453 274 L N 0.413 121.723 121.223 0.146 0.000 2.313 274 L HA -0.025 4.316 4.340 0.003 0.000 0.214 274 L C 2.321 179.228 176.870 0.062 0.000 1.119 274 L CA 0.268 55.157 54.840 0.082 0.000 0.809 274 L CB -0.117 41.979 42.059 0.061 0.000 0.933 274 L HN 0.235 nan 8.230 nan 0.000 0.449 275 I N -0.244 120.366 120.570 0.067 0.000 2.333 275 I HA -0.201 3.971 4.170 0.003 0.000 0.246 275 I C 2.279 178.419 176.117 0.039 0.000 1.106 275 I CA 1.207 62.537 61.300 0.050 0.000 1.411 275 I CB -0.071 37.957 38.000 0.046 0.000 1.082 275 I HN 0.251 nan 8.210 nan 0.000 0.420 276 E N 0.640 120.864 120.200 0.040 0.000 2.112 276 E HA -0.047 4.305 4.350 0.003 0.000 0.190 276 E C 0.366 176.986 176.600 0.034 0.000 0.979 276 E CA 0.626 57.045 56.400 0.033 0.000 0.814 276 E CB 0.265 29.983 29.700 0.031 0.000 0.762 276 E HN 0.218 nan 8.360 nan 0.000 0.460 277 R N 0.483 121.008 120.500 0.042 0.000 2.651 277 R HA 0.196 4.538 4.340 0.003 0.000 0.282 277 R C -2.272 174.047 176.300 0.032 0.000 1.565 277 R CA -2.042 54.081 56.100 0.039 0.000 1.661 277 R CB 0.427 30.756 30.300 0.049 0.000 1.189 277 R HN 0.034 nan 8.270 nan 0.000 0.621 278 P HA -0.206 nan 4.420 nan 0.000 0.218 278 P C 1.197 178.505 177.300 0.013 0.000 1.146 278 P CA 1.126 64.238 63.100 0.019 0.000 0.813 278 P CB 0.381 32.094 31.700 0.022 0.000 0.778 279 E N 0.247 120.458 120.200 0.018 0.000 2.409 279 E HA -0.171 4.181 4.350 0.003 0.000 0.198 279 E C 1.402 178.009 176.600 0.012 0.000 1.024 279 E CA 0.998 57.408 56.400 0.017 0.000 0.861 279 E CB -0.649 29.064 29.700 0.022 0.000 0.788 279 E HN 0.320 nan 8.360 nan 0.000 0.521 280 R N 0.234 120.737 120.500 0.005 0.000 2.310 280 R HA 0.275 4.617 4.340 0.003 0.000 0.202 280 R C 2.257 178.508 176.300 -0.080 0.000 0.933 280 R CA 0.050 56.144 56.100 -0.010 0.000 1.054 280 R CB -0.093 30.219 30.300 0.020 0.000 0.985 280 R HN 0.204 nan 8.270 nan 0.000 0.489 281 I N 1.485 122.012 120.570 -0.071 0.000 2.208 281 I HA -0.207 3.965 4.170 0.003 0.000 0.245 281 I C -0.792 175.286 176.117 -0.065 0.000 1.097 281 I CA 1.443 62.684 61.300 -0.098 0.000 1.363 281 I CB -0.997 36.982 38.000 -0.036 0.000 1.051 281 I HN 0.034 nan 8.210 nan 0.000 0.413 282 P HA -0.150 nan 4.420 nan 0.000 0.216 282 P C 1.482 178.794 177.300 0.020 0.000 1.153 282 P CA 1.733 64.846 63.100 0.021 0.000 0.848 282 P CB 0.004 31.725 31.700 0.035 0.000 0.787 283 A N -0.133 122.692 122.820 0.007 0.000 1.930 283 A HA -0.058 4.264 4.320 0.003 0.000 0.217 283 A C 2.282 179.872 177.584 0.009 0.000 1.175 283 A CA 1.855 53.912 52.037 0.034 0.000 0.627 283 A CB -1.548 17.483 19.000 0.053 0.000 0.815 283 A HN 0.178 nan 8.150 nan 0.000 0.443 284 A N -0.944 121.779 122.820 -0.162 0.000 1.933 284 A HA -0.201 4.121 4.320 0.003 0.000 0.218 284 A C 2.377 179.898 177.584 -0.105 0.000 1.175 284 A CA 1.621 53.391 52.037 -0.445 0.000 0.628 284 A CB -1.444 16.848 19.000 -1.180 0.000 0.814 284 A HN 0.857 nan 8.150 nan 0.000 0.444 285 C N -0.538 118.744 119.300 -0.029 0.000 2.413 285 C HA -0.143 4.319 4.460 0.003 0.000 0.276 285 C C 2.581 177.645 174.990 0.123 0.000 1.236 285 C CA 1.897 60.975 59.018 0.099 0.000 1.735 285 C CB -1.041 26.761 27.740 0.103 0.000 2.031 285 C HN 0.688 nan 8.230 nan 0.000 0.474 286 E N 0.578 120.839 120.200 0.101 0.000 2.072 286 E HA -0.174 4.178 4.350 0.003 0.000 0.191 286 E C 2.056 178.707 176.600 0.086 0.000 0.985 286 E CA 1.726 58.192 56.400 0.110 0.000 0.801 286 E CB -0.352 29.439 29.700 0.152 0.000 0.750 286 E HN 0.768 nan 8.360 nan 0.000 0.452 287 E N -0.024 120.253 120.200 0.128 0.000 2.106 287 E HA -0.113 4.239 4.350 0.003 0.000 0.192 287 E C 1.853 178.496 176.600 0.072 0.000 0.984 287 E CA 1.065 57.535 56.400 0.118 0.000 0.806 287 E CB -0.261 29.583 29.700 0.241 0.000 0.750 287 E HN 0.343 nan 8.360 nan 0.000 0.458 288 L N -0.089 121.249 121.223 0.190 0.000 2.141 288 L HA -0.084 4.257 4.340 0.003 0.000 0.209 288 L C 2.421 179.523 176.870 0.385 0.000 1.094 288 L CA 0.639 55.658 54.840 0.298 0.000 0.763 288 L CB -0.318 41.982 42.059 0.402 0.000 0.908 288 L HN 0.211 nan 8.230 nan 0.000 0.437 289 L N -0.499 120.831 121.223 0.178 0.000 2.141 289 L HA -0.196 4.146 4.340 0.003 0.000 0.209 289 L C 2.839 179.473 176.870 -0.393 0.000 1.094 289 L CA 1.059 55.746 54.840 -0.254 0.000 0.763 289 L CB -0.390 41.325 42.059 -0.574 0.000 0.908 289 L HN 0.271 nan 8.230 nan 0.000 0.437 290 R N 0.225 120.529 120.500 -0.327 0.000 2.052 290 R HA -0.173 4.169 4.340 0.003 0.000 0.226 290 R C 2.476 178.603 176.300 -0.288 0.000 1.145 290 R CA 1.244 57.164 56.100 -0.299 0.000 0.952 290 R CB -0.094 30.138 30.300 -0.113 0.000 0.847 290 R HN 0.046 nan 8.270 nan 0.000 0.431 291 R N 0.084 120.371 120.500 -0.354 0.000 2.096 291 R HA -0.087 4.254 4.340 0.003 0.000 0.235 291 R C 0.633 176.401 176.300 -0.887 0.000 1.127 291 R CA 1.647 57.345 56.100 -0.670 0.000 0.968 291 R CB -0.279 29.440 30.300 -0.968 0.000 0.861 291 R HN 0.270 nan 8.270 nan 0.000 0.440 292 F N 0.314 120.147 119.950 -0.194 0.000 2.923 292 F HA 0.393 4.922 4.527 0.003 0.000 0.314 292 F C 0.423 176.089 175.800 -0.225 0.000 1.196 292 F CA -0.560 57.261 58.000 -0.297 0.000 1.320 292 F CB 0.299 39.110 39.000 -0.315 0.000 0.953 292 F HN -0.112 nan 8.300 nan 0.000 0.505 293 S N 1.770 117.357 115.700 -0.189 0.000 2.563 293 S HA 0.207 4.678 4.470 0.003 0.000 0.284 293 S C 0.862 175.288 174.600 -0.290 0.000 1.331 293 S CA -0.055 57.994 58.200 -0.252 0.000 1.047 293 S CB 0.508 63.523 63.200 -0.308 0.000 0.859 293 S HN 0.574 nan 8.310 nan 0.000 0.514 294 L N 1.966 123.041 121.223 -0.247 0.000 3.515 294 L HA 0.574 4.915 4.340 0.003 0.000 0.322 294 L C -0.881 175.841 176.870 -0.247 0.000 1.225 294 L CA -0.558 54.140 54.840 -0.236 0.000 1.104 294 L CB 0.187 42.255 42.059 0.016 0.000 1.506 294 L HN 0.325 nan 8.230 nan 0.000 0.624 295 V N 1.794 121.550 119.914 -0.263 0.000 2.612 295 V HA 0.844 4.965 4.120 0.003 0.000 0.301 295 V C 0.269 176.185 176.094 -0.296 0.000 1.046 295 V CA 0.070 62.233 62.300 -0.228 0.000 0.946 295 V CB 1.558 33.294 31.823 -0.146 0.000 1.003 295 V HN 0.342 nan 8.190 nan 0.000 0.459 296 A N 3.241 125.901 122.820 -0.267 0.000 2.768 296 A HA 0.651 4.973 4.320 0.003 0.000 0.298 296 A C -0.707 176.791 177.584 -0.144 0.000 1.159 296 A CA -0.633 51.270 52.037 -0.223 0.000 0.783 296 A CB 0.426 19.193 19.000 -0.389 0.000 1.333 296 A HN 0.843 nan 8.150 nan 0.000 0.412 297 D N 1.091 121.453 120.400 -0.063 0.000 2.668 297 D HA 0.864 5.506 4.640 0.003 0.000 0.249 297 D C 0.528 176.854 176.300 0.045 0.000 1.150 297 D CA 0.068 54.028 54.000 -0.067 0.000 1.090 297 D CB 1.154 41.944 40.800 -0.018 0.000 1.244 297 D HN 0.804 nan 8.370 nan 0.000 0.636 298 G N -1.779 107.054 108.800 0.054 0.000 2.677 298 G HA2 0.545 4.507 3.960 0.003 0.000 0.283 298 G HA3 0.545 4.507 3.960 0.003 0.000 0.283 298 G C -1.057 173.859 174.900 0.027 0.000 1.221 298 G CA -0.713 44.400 45.100 0.022 0.000 0.851 298 G HN 0.457 nan 8.290 nan 0.000 0.504 299 R N -1.255 119.250 120.500 0.009 0.000 2.846 299 R HA 0.661 5.003 4.340 0.003 0.000 0.263 299 R C -1.426 174.947 176.300 0.121 0.000 1.080 299 R CA -0.749 55.395 56.100 0.073 0.000 0.961 299 R CB 1.610 31.982 30.300 0.120 0.000 1.231 299 R HN 0.589 nan 8.270 nan 0.000 0.465 300 I N 1.283 121.935 120.570 0.136 0.000 2.545 300 I HA 0.275 4.447 4.170 0.003 0.000 0.292 300 I C -0.707 175.488 176.117 0.130 0.000 1.040 300 I CA -1.053 60.331 61.300 0.141 0.000 1.068 300 I CB 1.411 39.467 38.000 0.093 0.000 1.251 300 I HN 0.216 nan 8.210 nan 0.000 0.424 301 L N 6.408 127.713 121.223 0.136 0.000 2.410 301 L HA 0.117 4.459 4.340 0.003 0.000 0.273 301 L C 1.574 178.452 176.870 0.013 0.000 1.144 301 L CA 0.475 55.333 54.840 0.030 0.000 0.863 301 L CB 1.010 43.115 42.059 0.077 0.000 1.140 301 L HN 0.805 nan 8.230 nan 0.000 0.463 302 T N -1.553 112.973 114.554 -0.046 0.000 3.067 302 T HA 0.061 4.413 4.350 0.003 0.000 0.261 302 T C 0.732 175.422 174.700 -0.016 0.000 1.110 302 T CA 0.477 62.560 62.100 -0.028 0.000 1.113 302 T CB 0.160 68.989 68.868 -0.065 0.000 0.917 302 T HN 0.643 nan 8.240 nan 0.000 0.499 303 S N -0.315 115.381 115.700 -0.008 0.000 2.615 303 S HA 0.435 4.906 4.470 0.003 0.000 0.268 303 S C -2.138 172.486 174.600 0.041 0.000 1.146 303 S CA -1.177 57.035 58.200 0.019 0.000 0.818 303 S CB 0.903 64.116 63.200 0.022 0.000 1.111 303 S HN 0.049 nan 8.310 nan 0.000 0.465 304 D N 1.163 121.590 120.400 0.044 0.000 2.455 304 D HA 0.457 5.099 4.640 0.003 0.000 0.241 304 D C -0.857 175.510 176.300 0.112 0.000 1.138 304 D CA 1.024 55.055 54.000 0.051 0.000 0.877 304 D CB 0.120 40.935 40.800 0.025 0.000 1.187 304 D HN 0.541 nan 8.370 nan 0.000 0.451 305 Y N 0.536 120.772 120.300 -0.107 0.000 2.436 305 Y HA 0.170 4.722 4.550 0.003 0.000 0.327 305 Y C -1.093 174.735 175.900 -0.120 0.000 1.138 305 Y CA -1.026 56.957 58.100 -0.195 0.000 1.042 305 Y CB 1.292 39.477 38.460 -0.459 0.000 1.302 305 Y HN 0.327 nan 8.280 nan 0.000 0.439 306 E N 5.941 125.832 120.200 -0.515 0.000 2.194 306 E HA 0.356 4.708 4.350 0.003 0.000 0.284 306 E C -1.927 174.221 176.600 -0.754 0.000 1.035 306 E CA -0.413 55.715 56.400 -0.453 0.000 0.836 306 E CB 0.590 30.135 29.700 -0.257 0.000 1.070 306 E HN 0.462 nan 8.360 nan 0.000 0.401 307 F N 5.352 124.930 119.950 -0.620 0.000 2.499 307 F HA 0.252 4.781 4.527 0.003 0.000 0.333 307 F C -0.441 175.291 175.800 -0.114 0.000 1.138 307 F CA -0.609 57.147 58.000 -0.407 0.000 0.945 307 F CB 0.639 39.539 39.000 -0.166 0.000 1.181 307 F HN 0.670 nan 8.300 nan 0.000 0.435 308 H N 4.115 122.834 119.070 -0.584 0.000 2.604 308 H HA -0.190 4.368 4.556 0.003 0.000 0.321 308 H C 1.390 176.560 175.328 -0.263 0.000 1.132 308 H CA 1.056 56.824 56.048 -0.467 0.000 1.129 308 H CB -1.009 28.382 29.762 -0.619 0.000 1.526 308 H HN 1.196 nan 8.280 nan 0.000 0.415 309 G N -0.790 107.910 108.800 -0.168 0.000 2.166 309 G HA2 -0.309 3.653 3.960 0.003 0.000 0.260 309 G HA3 -0.309 3.653 3.960 0.003 0.000 0.260 309 G C 0.236 175.096 174.900 -0.066 0.000 0.986 309 G CA 0.418 45.458 45.100 -0.099 0.000 0.683 309 G HN 0.495 nan 8.290 nan 0.000 0.527 310 V N 0.972 120.826 119.914 -0.100 0.000 2.487 310 V HA 0.455 4.577 4.120 0.003 0.000 0.298 310 V C -0.011 176.003 176.094 -0.135 0.000 1.028 310 V CA -1.149 61.085 62.300 -0.110 0.000 0.860 310 V CB 1.928 33.622 31.823 -0.215 0.000 0.991 310 V HN 0.258 nan 8.190 nan 0.000 0.427 311 Q N 4.799 124.576 119.800 -0.038 0.000 2.324 311 Q HA 0.417 4.759 4.340 0.003 0.000 0.257 311 Q C -0.710 175.347 176.000 0.094 0.000 1.080 311 Q CA 0.153 55.966 55.803 0.016 0.000 0.907 311 Q CB 1.073 29.864 28.738 0.089 0.000 1.274 311 Q HN 0.577 nan 8.270 nan 0.000 0.434 312 L N 2.032 123.255 121.223 -0.000 0.000 2.307 312 L HA 0.464 4.806 4.340 0.003 0.000 0.282 312 L C 0.429 177.385 176.870 0.145 0.000 1.051 312 L CA -0.551 54.346 54.840 0.095 0.000 0.804 312 L CB 1.129 43.157 42.059 -0.051 0.000 1.197 312 L HN 0.307 nan 8.230 nan 0.000 0.431 313 K N 2.913 123.435 120.400 0.203 0.000 2.156 313 K HA 0.270 4.592 4.320 0.003 0.000 0.254 313 K C -0.349 176.298 176.600 0.079 0.000 0.950 313 K CA -0.838 55.446 56.287 -0.004 0.000 0.849 313 K CB 1.577 33.837 32.500 -0.401 0.000 1.100 313 K HN 0.437 nan 8.250 nan 0.000 0.434 314 K N 1.858 122.278 120.400 0.034 0.000 2.511 314 K HA -0.063 4.259 4.320 0.003 0.000 0.280 314 K C 0.518 177.165 176.600 0.078 0.000 1.008 314 K CA 1.635 57.951 56.287 0.050 0.000 1.050 314 K CB -0.066 32.449 32.500 0.025 0.000 0.889 314 K HN 0.856 nan 8.250 nan 0.000 0.484 315 G N 3.097 111.959 108.800 0.104 0.000 2.234 315 G HA2 -0.218 3.744 3.960 0.003 0.000 0.235 315 G HA3 -0.218 3.744 3.960 0.003 0.000 0.235 315 G C -0.334 174.685 174.900 0.198 0.000 0.997 315 G CA 0.141 45.316 45.100 0.124 0.000 0.623 315 G HN 0.729 nan 8.290 nan 0.000 0.514 316 D N 1.732 122.303 120.400 0.284 0.000 2.443 316 D HA 0.422 5.063 4.640 0.003 0.000 0.239 316 D C 0.861 177.400 176.300 0.398 0.000 1.136 316 D CA 0.554 54.829 54.000 0.458 0.000 0.879 316 D CB 0.543 41.792 40.800 0.749 0.000 1.195 316 D HN 0.523 nan 8.370 nan 0.000 0.443 317 Q N 0.878 120.897 119.800 0.365 0.000 2.222 317 Q HA 0.619 4.961 4.340 0.003 0.000 0.252 317 Q C -0.369 175.838 176.000 0.345 0.000 0.926 317 Q CA -0.668 55.288 55.803 0.254 0.000 0.899 317 Q CB 2.566 31.373 28.738 0.114 0.000 1.250 317 Q HN 0.464 nan 8.270 nan 0.000 0.441 318 I N 2.499 123.221 120.570 0.254 0.000 2.478 318 I HA 0.253 4.424 4.170 0.003 0.000 0.287 318 I C -1.660 174.498 176.117 0.069 0.000 1.042 318 I CA -1.092 60.361 61.300 0.256 0.000 1.067 318 I CB 1.244 39.380 38.000 0.226 0.000 1.233 318 I HN 0.497 nan 8.210 nan 0.000 0.431 319 L N 8.364 129.638 121.223 0.086 0.000 2.319 319 L HA 0.436 4.778 4.340 0.003 0.000 0.280 319 L C -1.149 175.722 176.870 0.000 0.000 1.099 319 L CA 0.232 55.079 54.840 0.011 0.000 0.828 319 L CB 0.863 42.955 42.059 0.054 0.000 1.150 319 L HN 0.551 nan 8.230 nan 0.000 0.442 320 L N 7.516 128.707 121.223 -0.053 0.000 2.445 320 L HA 0.388 4.730 4.340 0.003 0.000 0.252 320 L C -2.186 174.733 176.870 0.082 0.000 1.105 320 L CA -1.713 53.059 54.840 -0.113 0.000 0.943 320 L CB 0.917 42.638 42.059 -0.565 0.000 1.277 320 L HN 0.491 nan 8.230 nan 0.000 0.465 321 P HA 0.013 nan 4.420 nan 0.000 0.258 321 P C 0.293 177.578 177.300 -0.024 0.000 1.214 321 P CA 0.129 63.233 63.100 0.006 0.000 0.872 321 P CB 0.717 32.449 31.700 0.053 0.000 0.890 322 Q N 2.696 122.478 119.800 -0.032 0.000 2.152 322 Q HA -0.209 4.133 4.340 0.003 0.000 0.206 322 Q C 1.908 177.825 176.000 -0.139 0.000 0.985 322 Q CA 1.673 57.440 55.803 -0.060 0.000 0.863 322 Q CB -0.564 28.104 28.738 -0.116 0.000 0.904 322 Q HN 0.516 nan 8.270 nan 0.000 0.422 323 M N -0.347 119.106 119.600 -0.244 0.000 2.149 323 M HA -0.209 4.273 4.480 0.003 0.000 0.261 323 M C 1.465 177.638 176.300 -0.211 0.000 1.064 323 M CA 1.537 56.656 55.300 -0.302 0.000 1.102 323 M CB -0.025 32.267 32.600 -0.514 0.000 1.369 323 M HN 0.293 nan 8.290 nan 0.000 0.408 324 L N -0.610 120.523 121.223 -0.149 0.000 2.156 324 L HA -0.148 4.194 4.340 0.003 0.000 0.208 324 L C 2.422 179.244 176.870 -0.081 0.000 1.095 324 L CA 0.772 55.558 54.840 -0.091 0.000 0.770 324 L CB -0.599 41.432 42.059 -0.048 0.000 0.914 324 L HN 0.327 nan 8.230 nan 0.000 0.439 325 S N 0.482 116.141 115.700 -0.069 0.000 2.359 325 S HA -0.195 4.276 4.470 0.003 0.000 0.223 325 S C 1.967 176.535 174.600 -0.052 0.000 1.039 325 S CA 1.604 59.769 58.200 -0.059 0.000 1.042 325 S CB -0.753 62.416 63.200 -0.051 0.000 0.915 325 S HN 0.610 nan 8.310 nan 0.000 0.439 326 G N 0.614 109.388 108.800 -0.043 0.000 2.534 326 G HA2 0.009 3.971 3.960 0.003 0.000 0.217 326 G HA3 0.009 3.971 3.960 0.003 0.000 0.217 326 G C 1.123 175.977 174.900 -0.076 0.000 1.128 326 G CA 0.251 45.331 45.100 -0.032 0.000 0.784 326 G HN 0.451 nan 8.290 nan 0.000 0.542 327 L N 0.072 121.237 121.223 -0.097 0.000 2.567 327 L HA 0.176 4.518 4.340 0.003 0.000 0.225 327 L C 0.567 177.392 176.870 -0.076 0.000 1.119 327 L CA -0.310 54.468 54.840 -0.103 0.000 0.871 327 L CB 0.102 42.092 42.059 -0.114 0.000 1.036 327 L HN 0.016 nan 8.230 nan 0.000 0.459 328 D N 1.655 122.014 120.400 -0.068 0.000 2.401 328 D HA -0.078 4.564 4.640 0.003 0.000 0.254 328 D C 1.311 177.581 176.300 -0.050 0.000 1.192 328 D CA 0.081 54.045 54.000 -0.061 0.000 0.885 328 D CB 1.065 41.828 40.800 -0.063 0.000 1.147 328 D HN 0.362 nan 8.370 nan 0.000 0.478 329 E N 3.495 123.667 120.200 -0.046 0.000 2.265 329 E HA -0.213 4.139 4.350 0.003 0.000 0.196 329 E C 1.014 177.595 176.600 -0.032 0.000 0.996 329 E CA 0.720 57.099 56.400 -0.036 0.000 0.832 329 E CB -0.036 29.645 29.700 -0.033 0.000 0.756 329 E HN 0.440 nan 8.360 nan 0.000 0.491 330 R N 0.342 120.820 120.500 -0.037 0.000 2.307 330 R HA 0.065 4.407 4.340 0.003 0.000 0.199 330 R C 1.508 177.790 176.300 -0.030 0.000 1.000 330 R CA 0.777 56.857 56.100 -0.033 0.000 1.023 330 R CB 0.154 30.431 30.300 -0.039 0.000 0.908 330 R HN 0.341 nan 8.270 nan 0.000 0.473 331 E N -0.392 119.789 120.200 -0.032 0.000 2.332 331 E HA 0.132 4.484 4.350 0.003 0.000 0.202 331 E C -0.155 176.434 176.600 -0.018 0.000 0.877 331 E CA 0.195 56.579 56.400 -0.027 0.000 0.979 331 E CB 0.650 30.330 29.700 -0.034 0.000 0.969 331 E HN 0.166 nan 8.360 nan 0.000 0.495 332 N N 0.692 119.379 118.700 -0.020 0.000 2.454 332 N HA 0.304 5.045 4.740 0.003 0.000 0.291 332 N C -1.094 174.408 175.510 -0.012 0.000 1.079 332 N CA -0.164 52.879 53.050 -0.012 0.000 0.893 332 N CB 2.149 40.627 38.487 -0.015 0.000 1.512 332 N HN -0.016 nan 8.380 nan 0.000 0.497 333 A N 1.509 124.327 122.820 -0.003 0.000 2.498 333 A HA 0.482 4.804 4.320 0.003 0.000 0.239 333 A C 1.015 178.602 177.584 0.004 0.000 1.068 333 A CA 0.490 52.525 52.037 -0.004 0.000 0.766 333 A CB -0.145 18.855 19.000 -0.001 0.000 1.003 333 A HN 1.218 nan 8.150 nan 0.000 0.497 334 A N 2.948 125.765 122.820 -0.004 0.000 2.466 334 A HA -0.104 4.218 4.320 0.003 0.000 0.295 334 A C -0.433 177.163 177.584 0.020 0.000 1.465 334 A CA 0.653 52.694 52.037 0.006 0.000 0.744 334 A CB -1.559 17.440 19.000 -0.001 0.000 1.098 334 A HN 0.816 nan 8.150 nan 0.000 0.402 335 P HA -0.229 nan 4.420 nan 0.000 0.216 335 P C 1.286 178.532 177.300 -0.089 0.000 1.150 335 P CA 1.618 64.687 63.100 -0.052 0.000 0.843 335 P CB -0.124 31.539 31.700 -0.061 0.000 0.787 336 M N -1.871 117.692 119.600 -0.061 0.000 2.619 336 M HA 0.008 4.489 4.480 0.003 0.000 0.251 336 M C 1.302 177.563 176.300 -0.067 0.000 1.106 336 M CA 0.400 55.644 55.300 -0.093 0.000 1.086 336 M CB -1.822 30.752 32.600 -0.042 0.000 1.465 336 M HN 0.110 nan 8.290 nan 0.000 0.506 337 H N 0.959 119.962 119.070 -0.111 0.000 2.580 337 H HA 0.316 4.874 4.556 0.003 0.000 0.322 337 H C -1.088 174.156 175.328 -0.140 0.000 1.082 337 H CA -0.351 55.647 56.048 -0.083 0.000 1.383 337 H CB 1.491 31.232 29.762 -0.036 0.000 1.450 337 H HN -0.170 nan 8.280 nan 0.000 0.505 338 V N 6.066 125.574 119.914 -0.677 0.000 2.368 338 V HA 0.013 4.134 4.120 0.003 0.000 0.266 338 V C 0.111 175.784 176.094 -0.701 0.000 1.045 338 V CA -0.169 61.729 62.300 -0.669 0.000 0.899 338 V CB 0.953 32.233 31.823 -0.904 0.000 1.006 338 V HN 0.713 nan 8.190 nan 0.000 0.470 339 D N 4.429 124.591 120.400 -0.398 0.000 2.440 339 D HA 0.331 4.973 4.640 0.003 0.000 0.252 339 D C 0.505 176.827 176.300 0.036 0.000 1.180 339 D CA -0.575 53.318 54.000 -0.179 0.000 0.894 339 D CB 0.937 41.751 40.800 0.024 0.000 1.111 339 D HN 0.235 nan 8.370 nan 0.000 0.544 340 F N 1.293 121.293 119.950 0.083 0.000 2.408 340 F HA -0.041 4.488 4.527 0.002 0.000 0.300 340 F C 2.194 178.032 175.800 0.064 0.000 1.090 340 F CA 0.483 58.533 58.000 0.083 0.000 1.427 340 F CB -0.459 38.611 39.000 0.117 0.000 1.070 340 F HN 0.281 nan 8.300 nan 0.000 0.549 341 S N -1.019 114.811 115.700 0.217 0.000 2.577 341 S HA 0.065 4.537 4.470 0.003 0.000 0.219 341 S C 0.860 175.527 174.600 0.111 0.000 0.962 341 S CA -0.539 57.748 58.200 0.145 0.000 0.921 341 S CB -0.240 63.027 63.200 0.112 0.000 0.789 341 S HN 0.183 nan 8.310 nan 0.000 0.497 342 R N 1.875 122.443 120.500 0.114 0.000 2.485 342 R HA -0.071 4.271 4.340 0.003 0.000 0.304 342 R C 1.369 177.714 176.300 0.076 0.000 0.934 342 R CA 0.264 56.416 56.100 0.087 0.000 1.102 342 R CB 0.235 30.582 30.300 0.077 0.000 0.906 342 R HN 0.113 nan 8.270 nan 0.000 0.407 343 Q N 2.615 122.451 119.800 0.060 0.000 2.050 343 Q HA -0.076 4.266 4.340 0.003 0.000 0.202 343 Q C -0.041 175.985 176.000 0.044 0.000 0.980 343 Q CA 1.774 57.606 55.803 0.050 0.000 0.840 343 Q CB 0.252 29.013 28.738 0.039 0.000 0.898 343 Q HN 0.251 nan 8.270 nan 0.000 0.424 344 K N 0.420 120.843 120.400 0.039 0.000 2.530 344 K HA 0.258 4.580 4.320 0.003 0.000 0.230 344 K C -1.612 175.008 176.600 0.035 0.000 1.002 344 K CA -0.518 55.788 56.287 0.031 0.000 1.014 344 K CB 1.020 33.532 32.500 0.020 0.000 1.286 344 K HN -0.079 nan 8.250 nan 0.000 0.480 345 V N 2.654 122.598 119.914 0.050 0.000 2.381 345 V HA 0.079 4.200 4.120 0.003 0.000 0.257 345 V C 0.661 176.784 176.094 0.047 0.000 1.057 345 V CA -0.146 62.197 62.300 0.072 0.000 1.013 345 V CB 0.591 32.486 31.823 0.120 0.000 1.069 345 V HN 0.547 nan 8.190 nan 0.000 0.484 346 S N 5.083 120.799 115.700 0.028 0.000 2.480 346 S HA 0.729 5.201 4.470 0.003 0.000 0.286 346 S C -0.561 174.057 174.600 0.029 0.000 1.180 346 S CA -0.447 57.738 58.200 -0.025 0.000 1.075 346 S CB 0.351 63.538 63.200 -0.022 0.000 0.996 346 S HN 1.107 nan 8.310 nan 0.000 0.487 347 H N -0.026 119.025 119.070 -0.031 0.000 2.950 347 H HA 0.486 5.044 4.556 0.003 0.000 0.307 347 H C -0.593 174.709 175.328 -0.044 0.000 1.403 347 H CA -0.348 55.662 56.048 -0.063 0.000 1.145 347 H CB 0.645 30.349 29.762 -0.095 0.000 1.844 347 H HN 0.332 nan 8.280 nan 0.000 0.515 348 T N -2.520 112.139 114.554 0.175 0.000 3.487 348 T HA 0.181 4.532 4.350 0.003 0.000 0.287 348 T C 0.417 175.165 174.700 0.081 0.000 1.004 348 T CA 0.128 62.299 62.100 0.119 0.000 0.977 348 T CB -0.418 68.463 68.868 0.021 0.000 1.180 348 T HN 0.614 nan 8.240 nan 0.000 0.490 349 T N 1.356 115.981 114.554 0.118 0.000 2.803 349 T HA 0.021 4.373 4.350 0.003 0.000 0.269 349 T C 0.422 174.895 174.700 -0.379 0.000 1.052 349 T CA 1.284 63.187 62.100 -0.330 0.000 1.136 349 T CB -0.392 68.001 68.868 -0.792 0.000 0.864 349 T HN 0.497 nan 8.240 nan 0.000 0.467 350 F N 1.182 121.127 119.950 -0.008 0.000 2.660 350 F HA 0.479 5.007 4.527 0.002 0.000 0.297 350 F C 1.569 177.326 175.800 -0.072 0.000 1.132 350 F CA -0.316 57.649 58.000 -0.059 0.000 1.372 350 F CB -0.472 38.495 39.000 -0.055 0.000 1.003 350 F HN 0.286 nan 8.300 nan 0.000 0.524 351 G N 0.102 108.917 108.800 0.025 0.000 2.660 351 G HA2 -0.096 3.865 3.960 0.003 0.000 0.215 351 G HA3 -0.096 3.865 3.960 0.003 0.000 0.215 351 G C -1.438 173.446 174.900 -0.026 0.000 1.345 351 G CA -0.635 44.392 45.100 -0.121 0.000 0.877 351 G HN 0.537 nan 8.290 nan 0.000 0.549 352 H N -1.057 117.850 119.070 -0.271 0.000 3.094 352 H HA 0.676 5.234 4.556 0.003 0.000 0.346 352 H C 0.528 175.851 175.328 -0.009 0.000 1.238 352 H CA 1.840 57.834 56.048 -0.090 0.000 1.209 352 H CB 1.303 31.060 29.762 -0.007 0.000 1.911 352 H HN 2.657 nan 8.280 nan 0.000 0.540 353 G N 1.081 109.668 108.800 -0.356 0.000 2.568 353 G HA2 -0.249 3.713 3.960 0.003 0.000 0.222 353 G HA3 -0.249 3.713 3.960 0.003 0.000 0.222 353 G C 1.111 175.990 174.900 -0.035 0.000 1.321 353 G CA 0.482 45.527 45.100 -0.093 0.000 0.893 353 G HN 1.365 nan 8.290 nan 0.000 0.569 354 S N -0.934 114.782 115.700 0.027 0.000 2.469 354 S HA -0.067 4.404 4.470 0.003 0.000 0.238 354 S C 1.286 175.749 174.600 -0.227 0.000 0.998 354 S CA 1.919 60.050 58.200 -0.115 0.000 0.957 354 S CB -0.252 62.817 63.200 -0.218 0.000 0.764 354 S HN 0.747 nan 8.310 nan 0.000 0.514 355 H N 0.604 119.668 119.070 -0.011 0.000 2.505 355 H HA 0.391 4.949 4.556 0.003 0.000 0.289 355 H C 0.005 175.313 175.328 -0.032 0.000 1.052 355 H CA -0.443 55.601 56.048 -0.008 0.000 1.156 355 H CB -0.048 29.724 29.762 0.018 0.000 1.507 355 H HN 0.357 nan 8.280 nan 0.000 0.548 356 L N 1.470 122.702 121.223 0.016 0.000 2.653 356 L HA -0.136 4.206 4.340 0.003 0.000 0.288 356 L C 0.957 177.824 176.870 -0.005 0.000 1.243 356 L CA 0.086 54.923 54.840 -0.005 0.000 0.906 356 L CB 0.223 42.260 42.059 -0.037 0.000 1.154 356 L HN 0.370 nan 8.230 nan 0.000 0.498 357 C N 5.219 124.524 119.300 0.007 0.000 2.334 357 C HA -0.058 4.404 4.460 0.003 0.000 0.395 357 C C 1.808 176.716 174.990 -0.137 0.000 1.507 357 C CA -0.221 58.780 59.018 -0.028 0.000 1.494 357 C CB -0.828 26.930 27.740 0.030 0.000 2.509 357 C HN 0.779 nan 8.230 nan 0.000 0.599 358 L N 4.950 126.127 121.223 -0.077 0.000 2.375 358 L HA 0.173 4.515 4.340 0.003 0.000 0.215 358 L C 2.369 179.171 176.870 -0.113 0.000 1.108 358 L CA 1.217 56.014 54.840 -0.071 0.000 0.830 358 L CB -0.387 41.672 42.059 0.000 0.000 0.959 358 L HN 0.953 nan 8.230 nan 0.000 0.457 359 G N -0.508 108.214 108.800 -0.131 0.000 3.189 359 G HA2 -0.044 3.918 3.960 0.003 0.000 0.225 359 G HA3 -0.044 3.918 3.960 0.003 0.000 0.225 359 G C 1.329 176.062 174.900 -0.278 0.000 1.159 359 G CA -0.105 44.921 45.100 -0.123 0.000 0.763 359 G HN 0.494 nan 8.290 nan 0.000 0.549 360 Q N -0.204 119.227 119.800 -0.614 0.000 2.226 360 Q HA -0.169 4.173 4.340 0.003 0.000 0.204 360 Q C 1.678 177.223 176.000 -0.759 0.000 0.975 360 Q CA 1.172 56.290 55.803 -1.142 0.000 0.866 360 Q CB -0.470 27.085 28.738 -1.970 0.000 0.915 360 Q HN 0.469 nan 8.270 nan 0.000 0.440 361 H N 0.455 119.356 119.070 -0.280 0.000 2.395 361 H HA -0.037 4.521 4.556 0.003 0.000 0.299 361 H C 2.143 177.424 175.328 -0.079 0.000 1.070 361 H CA 1.260 57.218 56.048 -0.151 0.000 1.356 361 H CB -0.121 29.577 29.762 -0.107 0.000 1.401 361 H HN 0.265 nan 8.280 nan 0.000 0.524 362 L N 1.273 122.505 121.223 0.015 0.000 2.056 362 L HA -0.003 4.339 4.340 0.003 0.000 0.207 362 L C 2.497 179.384 176.870 0.027 0.000 1.078 362 L CA 1.701 56.557 54.840 0.026 0.000 0.749 362 L CB -0.873 41.199 42.059 0.021 0.000 0.901 362 L HN 0.156 nan 8.230 nan 0.000 0.433 363 A N -0.224 122.594 122.820 -0.004 0.000 1.877 363 A HA -0.220 4.102 4.320 0.003 0.000 0.216 363 A C 2.435 180.089 177.584 0.116 0.000 1.186 363 A CA 1.833 53.911 52.037 0.069 0.000 0.620 363 A CB -0.580 18.493 19.000 0.122 0.000 0.822 363 A HN 0.496 nan 8.150 nan 0.000 0.443 364 R N -1.162 119.385 120.500 0.077 0.000 2.096 364 R HA -0.098 4.244 4.340 0.003 0.000 0.235 364 R C 2.380 178.762 176.300 0.136 0.000 1.127 364 R CA 1.233 57.403 56.100 0.117 0.000 0.968 364 R CB -0.287 30.066 30.300 0.088 0.000 0.861 364 R HN 0.319 nan 8.270 nan 0.000 0.440 365 R N 1.086 121.657 120.500 0.119 0.000 2.073 365 R HA -0.106 4.235 4.340 0.003 0.000 0.234 365 R C 2.009 178.432 176.300 0.204 0.000 1.134 365 R CA 1.408 57.589 56.100 0.136 0.000 0.952 365 R CB -0.504 29.860 30.300 0.106 0.000 0.850 365 R HN 0.436 nan 8.270 nan 0.000 0.433 366 E N 0.161 120.493 120.200 0.220 0.000 2.110 366 E HA -0.122 4.229 4.350 0.003 0.000 0.193 366 E C 2.084 178.969 176.600 0.476 0.000 0.988 366 E CA 1.033 57.662 56.400 0.383 0.000 0.804 366 E CB -0.138 29.682 29.700 0.200 0.000 0.745 366 E HN 0.291 nan 8.360 nan 0.000 0.458 367 I N 0.749 121.524 120.570 0.342 0.000 2.202 367 I HA -0.245 3.926 4.170 0.003 0.000 0.242 367 I C 2.345 178.607 176.117 0.243 0.000 1.091 367 I CA 0.981 62.481 61.300 0.333 0.000 1.368 367 I CB -0.192 38.009 38.000 0.336 0.000 1.058 367 I HN 0.079 nan 8.210 nan 0.000 0.410 368 I N 0.093 120.780 120.570 0.195 0.000 2.226 368 I HA -0.243 3.929 4.170 0.003 0.000 0.245 368 I C 2.528 178.725 176.117 0.133 0.000 1.100 368 I CA 1.117 62.499 61.300 0.136 0.000 1.374 368 I CB -0.313 37.754 38.000 0.112 0.000 1.057 368 I HN 0.025 nan 8.210 nan 0.000 0.413 369 V N 0.495 120.514 119.914 0.176 0.000 2.343 369 V HA -0.279 3.843 4.120 0.003 0.000 0.247 369 V C 2.500 178.663 176.094 0.114 0.000 1.051 369 V CA 2.409 64.805 62.300 0.160 0.000 1.036 369 V CB -0.845 31.123 31.823 0.241 0.000 0.654 369 V HN 0.471 nan 8.190 nan 0.000 0.451 370 T N 0.455 115.091 114.554 0.136 0.000 2.674 370 T HA -0.153 4.199 4.350 0.003 0.000 0.265 370 T C 1.890 176.623 174.700 0.055 0.000 1.039 370 T CA 1.681 63.819 62.100 0.063 0.000 1.150 370 T CB -0.319 68.650 68.868 0.169 0.000 0.864 370 T HN 0.289 nan 8.240 nan 0.000 0.427 371 L N 0.434 121.698 121.223 0.069 0.000 2.012 371 L HA -0.164 4.178 4.340 0.003 0.000 0.210 371 L C 2.709 179.623 176.870 0.072 0.000 1.073 371 L CA 1.590 56.461 54.840 0.052 0.000 0.748 371 L CB -0.505 41.578 42.059 0.040 0.000 0.891 371 L HN 0.249 nan 8.230 nan 0.000 0.431 372 K N -0.368 120.070 120.400 0.063 0.000 2.002 372 K HA -0.157 4.164 4.320 0.003 0.000 0.209 372 K C 2.070 178.697 176.600 0.045 0.000 1.048 372 K CA 1.227 57.545 56.287 0.052 0.000 0.930 372 K CB -0.107 32.422 32.500 0.048 0.000 0.714 372 K HN 0.213 nan 8.250 nan 0.000 0.438 373 E N 0.031 120.255 120.200 0.039 0.000 2.150 373 E HA -0.181 4.170 4.350 0.003 0.000 0.193 373 E C 1.644 178.226 176.600 -0.030 0.000 0.985 373 E CA 0.676 57.076 56.400 0.001 0.000 0.814 373 E CB -0.123 29.574 29.700 -0.005 0.000 0.752 373 E HN 0.481 nan 8.360 nan 0.000 0.466 374 W N 1.302 122.487 121.300 -0.191 0.000 2.441 374 W HA -0.021 4.642 4.660 0.006 0.000 0.302 374 W C 1.792 178.190 176.519 -0.201 0.000 1.191 374 W CA 0.687 57.864 57.345 -0.279 0.000 1.327 374 W CB -0.410 28.814 29.460 -0.393 0.000 1.128 374 W HN 0.002 nan 8.180 nan 0.000 0.522 375 L N 1.013 122.375 121.223 0.231 0.000 2.191 375 L HA -0.228 4.114 4.340 0.003 0.000 0.212 375 L C 2.516 179.416 176.870 0.049 0.000 1.103 375 L CA 1.977 56.931 54.840 0.189 0.000 0.769 375 L CB -1.051 41.107 42.059 0.166 0.000 0.908 375 L HN -0.000 nan 8.230 nan 0.000 0.438 376 T N -3.594 110.958 114.554 -0.003 0.000 3.023 376 T HA -0.050 4.302 4.350 0.003 0.000 0.266 376 T C 1.902 176.549 174.700 -0.088 0.000 1.093 376 T CA 0.450 62.530 62.100 -0.032 0.000 1.129 376 T CB 0.015 68.869 68.868 -0.023 0.000 0.899 376 T HN 0.323 nan 8.240 nan 0.000 0.491 377 R N 0.281 120.674 120.500 -0.177 0.000 2.191 377 R HA 0.440 4.781 4.340 0.003 0.000 0.196 377 R C 0.492 176.582 176.300 -0.350 0.000 0.991 377 R CA 0.406 56.352 56.100 -0.258 0.000 1.075 377 R CB 0.467 30.566 30.300 -0.334 0.000 1.040 377 R HN 0.368 nan 8.270 nan 0.000 0.526 378 I N 2.897 123.173 120.570 -0.491 0.000 2.833 378 I HA 0.186 4.358 4.170 0.003 0.000 0.286 378 I C -1.901 174.178 176.117 -0.063 0.000 1.287 378 I CA -1.612 59.371 61.300 -0.529 0.000 1.046 378 I CB 1.832 39.077 38.000 -1.260 0.000 1.612 378 I HN -0.104 nan 8.210 nan 0.000 0.585 379 P HA -0.129 nan 4.420 nan 0.000 0.218 379 P C 0.215 177.610 177.300 0.158 0.000 1.149 379 P CA 1.338 64.515 63.100 0.128 0.000 0.817 379 P CB 0.308 32.037 31.700 0.047 0.000 0.785 380 D N -0.504 119.983 120.400 0.145 0.000 2.425 380 D HA 0.459 5.101 4.640 0.003 0.000 0.240 380 D C -0.841 175.611 176.300 0.254 0.000 1.080 380 D CA -0.798 53.252 54.000 0.084 0.000 0.836 380 D CB 0.648 41.481 40.800 0.055 0.000 1.125 380 D HN -0.039 nan 8.370 nan 0.000 0.525 381 F N 0.928 120.944 119.950 0.110 0.000 2.686 381 F HA 0.795 5.323 4.527 0.001 0.000 0.311 381 F C -1.024 174.853 175.800 0.130 0.000 1.128 381 F CA -0.995 57.132 58.000 0.213 0.000 0.946 381 F CB 1.052 40.207 39.000 0.258 0.000 1.336 381 F HN 0.230 nan 8.300 nan 0.000 0.457 382 S N 0.749 116.640 115.700 0.318 0.000 2.656 382 S HA 0.696 5.168 4.470 0.003 0.000 0.273 382 S C -1.438 173.277 174.600 0.191 0.000 1.168 382 S CA -1.037 57.238 58.200 0.125 0.000 0.817 382 S CB 1.515 64.742 63.200 0.045 0.000 1.146 382 S HN 0.731 nan 8.310 nan 0.000 0.475 383 I N 1.878 122.505 120.570 0.094 0.000 2.634 383 I HA 0.348 4.519 4.170 0.003 0.000 0.284 383 I C 1.283 177.445 176.117 0.075 0.000 1.124 383 I CA -0.228 61.123 61.300 0.085 0.000 1.417 383 I CB 0.268 38.291 38.000 0.039 0.000 1.396 383 I HN 1.002 nan 8.210 nan 0.000 0.571 384 A N 8.673 131.537 122.820 0.074 0.000 2.567 384 A HA 0.213 4.534 4.320 0.003 0.000 0.240 384 A C -2.071 175.531 177.584 0.031 0.000 1.053 384 A CA -0.647 51.418 52.037 0.047 0.000 0.755 384 A CB -1.004 18.018 19.000 0.037 0.000 0.978 384 A HN 0.520 nan 8.150 nan 0.000 0.507 385 P HA 0.179 nan 4.420 nan 0.000 0.261 385 P C 1.189 178.496 177.300 0.012 0.000 1.173 385 P CA 1.964 65.072 63.100 0.014 0.000 0.760 385 P CB 0.480 32.185 31.700 0.009 0.000 0.783 386 G N 2.353 111.159 108.800 0.010 0.000 2.267 386 G HA2 -0.280 3.682 3.960 0.003 0.000 0.257 386 G HA3 -0.280 3.682 3.960 0.003 0.000 0.257 386 G C 0.514 175.421 174.900 0.011 0.000 0.998 386 G CA 0.036 45.142 45.100 0.009 0.000 0.620 386 G HN 0.872 nan 8.290 nan 0.000 0.529 387 A N 0.481 123.310 122.820 0.015 0.000 2.566 387 A HA 0.479 4.801 4.320 0.003 0.000 0.245 387 A C 0.629 178.221 177.584 0.014 0.000 1.056 387 A CA 0.781 52.829 52.037 0.019 0.000 0.757 387 A CB 0.206 19.223 19.000 0.028 0.000 0.979 387 A HN 0.382 nan 8.150 nan 0.000 0.508 388 Q N 2.832 122.639 119.800 0.012 0.000 2.563 388 Q HA 0.236 4.578 4.340 0.003 0.000 0.232 388 Q C -0.273 175.729 176.000 0.005 0.000 1.106 388 Q CA -0.424 55.382 55.803 0.005 0.000 0.913 388 Q CB 0.567 29.308 28.738 0.005 0.000 1.175 388 Q HN 0.639 nan 8.270 nan 0.000 0.540 389 I N 1.933 122.503 120.570 -0.001 0.000 2.668 389 I HA -0.070 4.102 4.170 0.003 0.000 0.285 389 I C 0.739 176.841 176.117 -0.026 0.000 1.168 389 I CA 0.681 61.984 61.300 0.005 0.000 1.424 389 I CB -0.175 37.833 38.000 0.012 0.000 1.377 389 I HN 0.328 nan 8.210 nan 0.000 0.560 390 Q N 5.813 125.632 119.800 0.032 0.000 2.312 390 Q HA 0.434 4.775 4.340 0.003 0.000 0.263 390 Q C -0.778 175.338 176.000 0.194 0.000 0.995 390 Q CA -0.583 55.251 55.803 0.052 0.000 0.853 390 Q CB 2.309 31.084 28.738 0.062 0.000 1.300 390 Q HN 0.598 nan 8.270 nan 0.000 0.448 391 H N 0.782 119.918 119.070 0.111 0.000 2.595 391 H HA 0.467 5.025 4.556 0.003 0.000 0.346 391 H C -0.556 174.859 175.328 0.144 0.000 1.181 391 H CA -1.023 55.118 56.048 0.156 0.000 1.242 391 H CB 1.614 31.544 29.762 0.281 0.000 1.652 391 H HN 0.420 nan 8.280 nan 0.000 0.548 392 K N 0.510 121.076 120.400 0.277 0.000 2.422 392 K HA 0.520 4.842 4.320 0.003 0.000 0.251 392 K C -1.120 175.625 176.600 0.240 0.000 0.933 392 K CA -0.898 55.514 56.287 0.208 0.000 0.798 392 K CB 2.569 35.153 32.500 0.141 0.000 1.238 392 K HN 0.324 nan 8.250 nan 0.000 0.428 393 S N 0.714 116.559 115.700 0.241 0.000 2.537 393 S HA 0.884 5.356 4.470 0.003 0.000 0.301 393 S C -0.369 174.366 174.600 0.225 0.000 1.092 393 S CA 0.173 58.545 58.200 0.287 0.000 1.048 393 S CB 1.319 64.731 63.200 0.354 0.000 1.053 393 S HN 0.968 nan 8.310 nan 0.000 0.501 394 G N 2.528 111.425 108.800 0.162 0.000 2.364 394 G HA2 0.227 4.189 3.960 0.003 0.000 0.286 394 G HA3 0.227 4.189 3.960 0.003 0.000 0.286 394 G C 0.198 175.041 174.900 -0.095 0.000 1.241 394 G CA -0.435 44.667 45.100 0.003 0.000 0.887 394 G HN 0.540 nan 8.290 nan 0.000 0.484 395 I N -0.016 120.475 120.570 -0.132 0.000 2.286 395 I HA 0.016 4.188 4.170 0.003 0.000 0.248 395 I C 0.799 176.819 176.117 -0.161 0.000 1.115 395 I CA 1.489 62.632 61.300 -0.262 0.000 1.392 395 I CB -0.690 37.023 38.000 -0.479 0.000 1.065 395 I HN 0.030 nan 8.210 nan 0.000 0.418 396 V N 0.499 120.378 119.914 -0.057 0.000 2.577 396 V HA 0.298 4.419 4.120 0.003 0.000 0.303 396 V C 0.040 176.157 176.094 0.038 0.000 1.042 396 V CA -0.600 61.687 62.300 -0.022 0.000 0.872 396 V CB 1.957 33.793 31.823 0.021 0.000 0.998 396 V HN 0.064 nan 8.190 nan 0.000 0.423 397 S N 2.283 118.016 115.700 0.054 0.000 2.646 397 S HA 0.889 5.361 4.470 0.003 0.000 0.276 397 S C 0.405 175.163 174.600 0.263 0.000 1.222 397 S CA 0.046 58.346 58.200 0.167 0.000 1.014 397 S CB 1.780 65.066 63.200 0.144 0.000 0.991 397 S HN 1.151 nan 8.310 nan 0.000 0.533 398 G N -0.150 108.756 108.800 0.176 0.000 2.749 398 G HA2 0.597 4.559 3.960 0.003 0.000 0.300 398 G HA3 0.597 4.559 3.960 0.003 0.000 0.300 398 G C -1.783 172.910 174.900 -0.343 0.000 1.352 398 G CA -0.501 44.503 45.100 -0.160 0.000 0.789 398 G HN 0.615 nan 8.290 nan 0.000 0.509 399 V N 0.609 120.247 119.914 -0.459 0.000 2.448 399 V HA 0.289 4.411 4.120 0.003 0.000 0.295 399 V C 1.078 177.130 176.094 -0.070 0.000 1.025 399 V CA -0.345 61.804 62.300 -0.253 0.000 0.859 399 V CB 1.448 33.047 31.823 -0.374 0.000 0.988 399 V HN 0.795 nan 8.190 nan 0.000 0.431 400 Q N 3.781 123.598 119.800 0.029 0.000 2.046 400 Q HA 0.149 4.490 4.340 0.003 0.000 0.200 400 Q C 0.553 176.572 176.000 0.031 0.000 0.975 400 Q CA 1.719 57.544 55.803 0.036 0.000 0.836 400 Q CB 0.172 28.945 28.738 0.059 0.000 0.896 400 Q HN 0.996 nan 8.270 nan 0.000 0.428 401 A N -0.837 122.008 122.820 0.042 0.000 2.589 401 A HA 0.583 4.904 4.320 0.003 0.000 0.296 401 A C -2.006 175.617 177.584 0.064 0.000 1.062 401 A CA -0.628 51.440 52.037 0.052 0.000 0.686 401 A CB 1.233 20.263 19.000 0.050 0.000 1.282 401 A HN 0.158 nan 8.150 nan 0.000 0.404 402 L N 2.978 124.257 121.223 0.093 0.000 2.481 402 L HA 0.490 4.831 4.340 0.003 0.000 0.255 402 L C -2.647 174.306 176.870 0.139 0.000 1.192 402 L CA -1.427 53.474 54.840 0.103 0.000 0.924 402 L CB 1.809 43.931 42.059 0.105 0.000 1.179 402 L HN 0.461 nan 8.230 nan 0.000 0.491 403 P HA 0.246 nan 4.420 nan 0.000 0.282 403 P C -0.960 176.424 177.300 0.140 0.000 1.274 403 P CA 0.000 63.170 63.100 0.116 0.000 0.770 403 P CB 1.122 32.865 31.700 0.072 0.000 0.867 404 L N 3.942 125.291 121.223 0.209 0.000 2.333 404 L HA 0.728 5.069 4.340 0.003 0.000 0.269 404 L C 0.525 177.544 176.870 0.248 0.000 1.010 404 L CA -1.206 53.818 54.840 0.306 0.000 0.818 404 L CB 2.151 44.489 42.059 0.465 0.000 1.306 404 L HN 0.233 nan 8.230 nan 0.000 0.430 405 V N -1.382 118.713 119.914 0.301 0.000 3.078 405 V HA 0.829 4.951 4.120 0.003 0.000 0.311 405 V C -1.758 174.559 176.094 0.371 0.000 1.138 405 V CA -0.620 61.721 62.300 0.068 0.000 1.007 405 V CB 1.862 33.685 31.823 -0.001 0.000 1.045 405 V HN 0.994 nan 8.190 nan 0.000 0.432 406 W N 0.422 121.790 121.300 0.114 0.000 3.173 406 W HA 0.688 5.348 4.660 -0.001 0.000 0.313 406 W C -1.880 174.676 176.519 0.061 0.000 1.228 406 W CA -0.653 56.759 57.345 0.111 0.000 1.185 406 W CB 0.729 30.288 29.460 0.165 0.000 1.390 406 W HN 0.713 nan 8.180 nan 0.000 0.568 407 D N 2.428 123.005 120.400 0.296 0.000 2.339 407 D HA 0.350 4.991 4.640 0.003 0.000 0.241 407 D C -1.441 175.018 176.300 0.264 0.000 1.183 407 D CA -2.359 51.742 54.000 0.168 0.000 0.859 407 D CB 1.844 42.716 40.800 0.119 0.000 1.067 407 D HN 0.078 nan 8.370 nan 0.000 0.484 408 P HA -0.152 nan 4.420 nan 0.000 0.217 408 P C 0.933 178.315 177.300 0.137 0.000 1.148 408 P CA 1.398 64.629 63.100 0.218 0.000 0.828 408 P CB 0.201 31.966 31.700 0.108 0.000 0.783 409 A N -0.557 122.322 122.820 0.097 0.000 2.019 409 A HA -0.174 4.148 4.320 0.003 0.000 0.219 409 A C 2.085 179.706 177.584 0.062 0.000 1.164 409 A CA 2.236 54.311 52.037 0.064 0.000 0.644 409 A CB -1.750 17.278 19.000 0.048 0.000 0.805 409 A HN 0.361 nan 8.150 nan 0.000 0.449 410 T N -2.468 112.139 114.554 0.088 0.000 3.107 410 T HA 0.130 4.482 4.350 0.003 0.000 0.249 410 T C 0.947 175.671 174.700 0.041 0.000 1.096 410 T CA 0.763 62.903 62.100 0.067 0.000 1.012 410 T CB -0.932 67.987 68.868 0.086 0.000 0.977 410 T HN 0.554 nan 8.240 nan 0.000 0.527 411 T N 0.600 115.179 114.554 0.041 0.000 2.788 411 T HA 0.572 4.924 4.350 0.003 0.000 0.280 411 T C -0.558 174.120 174.700 -0.036 0.000 0.984 411 T CA -0.829 61.251 62.100 -0.033 0.000 0.972 411 T CB 0.931 69.770 68.868 -0.047 0.000 1.039 411 T HN 0.047 nan 8.240 nan 0.000 0.530 412 K N 0.440 120.795 120.400 -0.074 0.000 2.507 412 K HA 0.594 4.916 4.320 0.003 0.000 0.251 412 K C -0.978 175.579 176.600 -0.071 0.000 0.943 412 K CA -0.753 55.501 56.287 -0.055 0.000 0.794 412 K CB 2.136 34.607 32.500 -0.048 0.000 1.188 412 K HN 0.808 nan 8.250 nan 0.000 0.428 413 A N 3.588 126.379 122.820 -0.048 0.000 2.923 413 A HA 0.378 4.700 4.320 0.003 0.000 0.306 413 A C 0.428 177.988 177.584 -0.040 0.000 1.542 413 A CA -0.476 51.532 52.037 -0.048 0.000 1.225 413 A CB -0.479 18.503 19.000 -0.030 0.000 1.147 413 A HN 0.406 nan 8.150 nan 0.000 0.542 414 V N 0.000 119.884 119.914 -0.050 0.000 2.409 414 V HA 0.000 4.122 4.120 0.003 0.000 0.244 414 V CA 0.000 62.279 62.300 -0.036 0.000 1.235 414 V CB 0.000 31.799 31.823 -0.040 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556