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 2c7x_1_A DATA FIRST_RESID 11 DATA SEQUENCE SPPVLDLGAL GQDFAADPYP TYARLRAEGP AHRVRTPEGD EVWLVVGYDR DATA SEQUENCE ARAVLADPRF SKDWRNSTTP LTEAEAALNH NMLESDPPRH TRLRKLVARE DATA SEQUENCE FTMRRVELLR PRVQEIVDGL VDAMLAAPDG RADLMESLAW PLPITVISEL DATA SEQUENCE LGVPEPDRAA FRVWTDAFVF PDDPAQAQTA MAEMSGYLSR LIDSKRGQDG DATA SEQUENCE EDLLSALVRT SDEDGSRLTS EELLGMAHIL LVAGHETTVN LIANGMYALL DATA SEQUENCE SHPDQLAALR ADMTLLDGAV EEMLRYEGPV ESATYRFPVE PVDLDGTVIP DATA SEQUENCE AGDTVLVVLA DAHRTPERFP DPHRFDIRRD TAGHLAFGHG IHFCIGAPLA DATA SEQUENCE RLEARIAVRA LLERCPDLAL DVSPGELVWY PNPMIRGLKA LPIRWRR 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.545 174.600 -0.091 0.000 1.055 11 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 11 S CB 0.000 63.213 63.200 0.022 0.000 0.593 12 P HA 0.433 nan 4.420 nan 0.000 0.271 12 P C -2.928 174.291 177.300 -0.136 0.000 1.216 12 P CA -1.123 61.926 63.100 -0.085 0.000 0.776 12 P CB -0.713 30.956 31.700 -0.051 0.000 0.881 13 P HA -0.013 nan 4.420 nan 0.000 0.271 13 P C 1.008 178.238 177.300 -0.118 0.000 1.218 13 P CA -0.122 62.880 63.100 -0.162 0.000 0.780 13 P CB 0.444 32.064 31.700 -0.135 0.000 0.901 14 V N -0.125 119.722 119.914 -0.111 0.000 3.354 14 V HA 0.244 4.364 4.120 -0.000 0.000 0.258 14 V C 0.462 176.511 176.094 -0.075 0.000 1.159 14 V CA 0.702 62.963 62.300 -0.066 0.000 1.125 14 V CB -0.553 31.258 31.823 -0.019 0.000 0.774 14 V HN 0.322 nan 8.190 nan 0.000 0.464 15 L N 0.712 121.874 121.223 -0.102 0.000 2.513 15 L HA 0.669 5.009 4.340 -0.000 0.000 0.261 15 L C -1.837 174.945 176.870 -0.146 0.000 0.945 15 L CA -0.290 54.473 54.840 -0.127 0.000 0.848 15 L CB 2.143 44.109 42.059 -0.154 0.000 1.334 15 L HN 0.124 nan 8.230 nan 0.000 0.407 16 D N 4.393 124.706 120.400 -0.146 0.000 2.454 16 D HA 0.272 4.912 4.640 -0.000 0.000 0.225 16 D C 1.035 177.213 176.300 -0.202 0.000 1.081 16 D CA -0.215 53.702 54.000 -0.138 0.000 0.864 16 D CB 1.003 41.748 40.800 -0.093 0.000 1.040 16 D HN 0.660 nan 8.370 nan 0.000 0.517 17 L N 2.746 123.808 121.223 -0.268 0.000 2.191 17 L HA -0.049 4.291 4.340 -0.000 0.000 0.212 17 L C 2.399 179.126 176.870 -0.239 0.000 1.103 17 L CA 1.209 55.772 54.840 -0.462 0.000 0.769 17 L CB -0.167 41.597 42.059 -0.492 0.000 0.908 17 L HN 0.442 nan 8.230 nan 0.000 0.438 18 G N -0.242 108.499 108.800 -0.098 0.000 2.408 18 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 18 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 18 G C 1.770 176.656 174.900 -0.023 0.000 1.150 18 G CA 0.685 45.776 45.100 -0.016 0.000 0.776 18 G HN 0.454 nan 8.290 nan 0.000 0.542 19 A N 0.481 123.267 122.820 -0.057 0.000 2.070 19 A HA 0.155 4.475 4.320 -0.000 0.000 0.220 19 A C 2.306 179.864 177.584 -0.043 0.000 1.159 19 A CA 0.863 52.872 52.037 -0.046 0.000 0.656 19 A CB -0.279 18.687 19.000 -0.057 0.000 0.800 19 A HN 0.372 nan 8.150 nan 0.000 0.453 20 L N -1.278 119.899 121.223 -0.076 0.000 2.291 20 L HA 0.120 4.460 4.340 -0.000 0.000 0.214 20 L C 1.647 178.541 176.870 0.040 0.000 1.120 20 L CA 0.404 55.219 54.840 -0.042 0.000 0.799 20 L CB -1.185 40.802 42.059 -0.119 0.000 0.925 20 L HN 0.639 nan 8.230 nan 0.000 0.446 21 G N 0.225 109.059 108.800 0.057 0.000 2.645 21 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.239 21 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.239 21 G C 0.354 175.330 174.900 0.127 0.000 1.331 21 G CA 0.450 45.599 45.100 0.082 0.000 0.890 21 G HN 0.240 nan 8.290 nan 0.000 0.572 22 Q N -0.571 119.291 119.800 0.104 0.000 2.181 22 Q HA -0.065 4.275 4.340 -0.000 0.000 0.205 22 Q C 1.977 178.029 176.000 0.087 0.000 0.980 22 Q CA 2.953 58.824 55.803 0.114 0.000 0.862 22 Q CB -0.575 28.224 28.738 0.101 0.000 0.905 22 Q HN 0.672 nan 8.270 nan 0.000 0.429 23 D N -1.044 119.400 120.400 0.074 0.000 2.182 23 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 23 D C 1.164 177.475 176.300 0.017 0.000 0.986 23 D CA 1.273 55.298 54.000 0.043 0.000 0.847 23 D CB -0.203 40.624 40.800 0.045 0.000 0.942 23 D HN 0.391 nan 8.370 nan 0.000 0.467 24 F N 0.787 120.687 119.950 -0.082 0.000 2.187 24 F HA 0.084 4.610 4.527 -0.001 0.000 0.295 24 F C 2.082 177.778 175.800 -0.174 0.000 1.091 24 F CA 1.125 59.035 58.000 -0.150 0.000 1.308 24 F CB -0.388 38.528 39.000 -0.140 0.000 1.030 24 F HN -0.060 nan 8.300 nan 0.000 0.487 25 A N 0.711 123.440 122.820 -0.151 0.000 1.908 25 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 25 A C 2.418 179.791 177.584 -0.353 0.000 1.181 25 A CA 1.969 53.889 52.037 -0.196 0.000 0.627 25 A CB -1.583 17.485 19.000 0.114 0.000 0.818 25 A HN 0.507 nan 8.150 nan 0.000 0.445 26 A N -1.272 121.379 122.820 -0.282 0.000 1.898 26 A HA 0.050 4.370 4.320 -0.000 0.000 0.216 26 A C 0.975 178.130 177.584 -0.714 0.000 1.181 26 A CA 1.726 53.431 52.037 -0.554 0.000 0.620 26 A CB -0.132 18.796 19.000 -0.119 0.000 0.819 26 A HN 0.436 nan 8.150 nan 0.000 0.442 27 D N -2.170 117.944 120.400 -0.477 0.000 2.364 27 D HA 0.266 4.906 4.640 -0.000 0.000 0.251 27 D C -2.150 173.860 176.300 -0.484 0.000 1.282 27 D CA -1.397 52.375 54.000 -0.380 0.000 0.927 27 D CB 1.408 42.120 40.800 -0.147 0.000 1.267 27 D HN 0.062 nan 8.370 nan 0.000 0.531 28 P HA -0.064 nan 4.420 nan 0.000 0.235 28 P C 1.067 177.901 177.300 -0.778 0.000 1.177 28 P CA 0.312 62.698 63.100 -1.190 0.000 0.785 28 P CB 0.267 30.956 31.700 -1.684 0.000 0.885 29 Y N 1.461 121.600 120.300 -0.269 0.000 2.102 29 Y HA -0.163 4.387 4.550 -0.000 0.000 0.280 29 Y C -0.097 175.801 175.900 -0.004 0.000 1.178 29 Y CA 1.914 59.988 58.100 -0.043 0.000 1.146 29 Y CB -2.710 35.733 38.460 -0.028 0.000 0.968 29 Y HN 0.169 nan 8.280 nan 0.000 0.504 30 P HA -0.130 nan 4.420 nan 0.000 0.217 30 P C 1.517 178.843 177.300 0.043 0.000 1.150 30 P CA 2.223 65.371 63.100 0.080 0.000 0.832 30 P CB -0.082 31.651 31.700 0.054 0.000 0.787 31 T N -1.600 112.943 114.554 -0.017 0.000 2.708 31 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 31 T C 1.601 176.307 174.700 0.010 0.000 1.037 31 T CA 1.391 63.471 62.100 -0.032 0.000 1.146 31 T CB -1.169 67.689 68.868 -0.017 0.000 0.865 31 T HN 0.189 nan 8.240 nan 0.000 0.435 32 Y N 1.174 121.519 120.300 0.075 0.000 2.181 32 Y HA -0.110 4.440 4.550 0.001 0.000 0.288 32 Y C 2.862 178.780 175.900 0.031 0.000 1.146 32 Y CA 0.420 58.543 58.100 0.038 0.000 1.164 32 Y CB -0.300 38.184 38.460 0.039 0.000 0.982 32 Y HN 0.210 nan 8.280 nan 0.000 0.515 33 A N 0.842 123.794 122.820 0.219 0.000 1.930 33 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 33 A C 2.355 179.995 177.584 0.093 0.000 1.175 33 A CA 1.951 54.081 52.037 0.155 0.000 0.627 33 A CB -1.127 17.964 19.000 0.151 0.000 0.815 33 A HN 0.431 nan 8.150 nan 0.000 0.443 34 R N 0.004 120.540 120.500 0.060 0.000 2.096 34 R HA 0.060 4.400 4.340 -0.000 0.000 0.235 34 R C 2.107 178.398 176.300 -0.014 0.000 1.127 34 R CA 1.657 57.770 56.100 0.023 0.000 0.968 34 R CB -1.516 28.786 30.300 0.003 0.000 0.861 34 R HN 0.581 nan 8.270 nan 0.000 0.440 35 L N -0.317 120.859 121.223 -0.077 0.000 2.056 35 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 35 L C 3.035 179.858 176.870 -0.078 0.000 1.078 35 L CA 1.624 56.272 54.840 -0.320 0.000 0.749 35 L CB -0.404 41.335 42.059 -0.534 0.000 0.901 35 L HN 0.387 nan 8.230 nan 0.000 0.433 36 R N 0.442 120.979 120.500 0.062 0.000 2.105 36 R HA -0.184 4.156 4.340 -0.000 0.000 0.239 36 R C 2.218 178.602 176.300 0.141 0.000 1.135 36 R CA 1.419 57.609 56.100 0.150 0.000 0.967 36 R CB -0.197 30.182 30.300 0.132 0.000 0.861 36 R HN 0.363 nan 8.270 nan 0.000 0.442 37 A N 1.369 124.250 122.820 0.103 0.000 2.070 37 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 37 A C 1.657 179.303 177.584 0.103 0.000 1.159 37 A CA 1.635 53.726 52.037 0.090 0.000 0.656 37 A CB -0.259 18.782 19.000 0.068 0.000 0.800 37 A HN 0.701 nan 8.150 nan 0.000 0.453 38 E N -1.924 118.361 120.200 0.141 0.000 2.476 38 E HA 0.436 4.786 4.350 -0.000 0.000 0.199 38 E C 0.684 177.405 176.600 0.202 0.000 1.021 38 E CA 0.330 56.829 56.400 0.165 0.000 0.907 38 E CB 0.219 30.025 29.700 0.176 0.000 0.974 38 E HN 0.502 nan 8.360 nan 0.000 0.489 39 G N 1.461 110.413 108.800 0.254 0.000 2.328 39 G HA2 0.084 4.044 3.960 -0.000 0.000 0.299 39 G HA3 0.084 4.044 3.960 -0.000 0.000 0.299 39 G C -2.742 172.271 174.900 0.188 0.000 1.435 39 G CA -0.564 44.622 45.100 0.143 0.000 0.865 39 G HN -0.172 nan 8.290 nan 0.000 0.601 40 P HA 0.279 nan 4.420 nan 0.000 0.226 40 P C 0.655 177.977 177.300 0.036 0.000 1.161 40 P CA 1.325 64.461 63.100 0.059 0.000 0.804 40 P CB 0.723 32.434 31.700 0.019 0.000 0.829 41 A N 0.338 123.082 122.820 -0.128 0.000 2.355 41 A HA 0.687 5.007 4.320 -0.000 0.000 0.317 41 A C -0.856 176.574 177.584 -0.257 0.000 1.094 41 A CA -0.506 51.519 52.037 -0.020 0.000 0.764 41 A CB 0.980 20.012 19.000 0.053 0.000 1.230 41 A HN 0.097 nan 8.150 nan 0.000 0.448 42 H N 1.132 120.391 119.070 0.314 0.000 2.947 42 H HA 0.338 4.895 4.556 0.000 0.000 0.354 42 H C -0.853 174.413 175.328 -0.103 0.000 1.085 42 H CA -0.768 55.359 56.048 0.132 0.000 1.253 42 H CB 1.891 31.693 29.762 0.066 0.000 1.757 42 H HN 0.727 nan 8.280 nan 0.000 0.523 43 R N 2.235 122.502 120.500 -0.389 0.000 2.298 43 R HA 0.383 4.723 4.340 -0.000 0.000 0.310 43 R C -0.675 175.427 176.300 -0.330 0.000 1.068 43 R CA -0.338 55.309 56.100 -0.755 0.000 0.957 43 R CB -0.047 29.653 30.300 -1.000 0.000 1.003 43 R HN 0.497 nan 8.270 nan 0.000 0.454 44 V N 1.053 120.809 119.914 -0.264 0.000 3.167 44 V HA 0.711 4.831 4.120 -0.000 0.000 0.310 44 V C -1.086 174.928 176.094 -0.134 0.000 1.207 44 V CA -1.230 60.976 62.300 -0.156 0.000 1.059 44 V CB 2.153 33.922 31.823 -0.091 0.000 1.079 44 V HN 0.767 nan 8.190 nan 0.000 0.446 45 R N 1.248 121.686 120.500 -0.104 0.000 2.437 45 R HA 0.649 4.989 4.340 -0.000 0.000 0.310 45 R C 0.087 176.362 176.300 -0.042 0.000 0.955 45 R CA 0.256 56.317 56.100 -0.065 0.000 0.851 45 R CB 1.653 31.917 30.300 -0.060 0.000 1.161 45 R HN 1.194 nan 8.270 nan 0.000 0.446 46 T N 1.417 115.976 114.554 0.010 0.000 2.813 46 T HA 0.223 4.573 4.350 -0.000 0.000 0.297 46 T C -1.752 172.980 174.700 0.053 0.000 1.036 46 T CA -1.423 60.708 62.100 0.053 0.000 1.044 46 T CB 1.100 70.034 68.868 0.111 0.000 0.993 46 T HN 0.396 nan 8.240 nan 0.000 0.535 47 P HA -0.042 nan 4.420 nan 0.000 0.223 47 P C 1.054 178.407 177.300 0.090 0.000 1.144 47 P CA 0.949 64.103 63.100 0.090 0.000 0.783 47 P CB 0.034 31.824 31.700 0.149 0.000 0.771 48 E N -1.958 118.303 120.200 0.101 0.000 2.230 48 E HA 0.118 4.468 4.350 -0.000 0.000 0.192 48 E C 1.420 178.067 176.600 0.077 0.000 0.987 48 E CA 0.784 57.243 56.400 0.099 0.000 0.841 48 E CB -0.194 29.579 29.700 0.121 0.000 0.783 48 E HN 0.213 nan 8.360 nan 0.000 0.481 49 G N 1.513 110.353 108.800 0.066 0.000 2.205 49 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.180 49 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.180 49 G C -0.435 174.498 174.900 0.055 0.000 1.004 49 G CA -0.314 44.815 45.100 0.048 0.000 0.670 49 G HN 0.078 nan 8.290 nan 0.000 0.496 50 D N 1.276 121.725 120.400 0.081 0.000 2.256 50 D HA 0.447 5.087 4.640 -0.000 0.000 0.250 50 D C 0.280 176.607 176.300 0.045 0.000 1.093 50 D CA 0.166 54.224 54.000 0.097 0.000 0.882 50 D CB 1.048 41.955 40.800 0.177 0.000 1.185 50 D HN 0.427 nan 8.370 nan 0.000 0.437 51 E N 0.971 121.184 120.200 0.022 0.000 2.146 51 E HA 0.418 4.768 4.350 -0.000 0.000 0.282 51 E C -0.240 176.320 176.600 -0.066 0.000 0.989 51 E CA -0.669 55.704 56.400 -0.046 0.000 0.799 51 E CB 1.541 31.206 29.700 -0.058 0.000 1.088 51 E HN 0.264 nan 8.360 nan 0.000 0.397 52 V N -0.237 119.603 119.914 -0.124 0.000 3.182 52 V HA 0.596 4.716 4.120 -0.000 0.000 0.308 52 V C -1.550 174.434 176.094 -0.183 0.000 1.240 52 V CA -1.241 60.992 62.300 -0.113 0.000 1.063 52 V CB 1.208 32.956 31.823 -0.126 0.000 1.076 52 V HN 0.560 nan 8.190 nan 0.000 0.446 53 W N 0.670 121.933 121.300 -0.063 0.000 2.469 53 W HA 0.818 5.479 4.660 0.001 0.000 0.320 53 W C -0.461 176.040 176.519 -0.031 0.000 1.086 53 W CA -0.522 56.808 57.345 -0.025 0.000 1.211 53 W CB 1.500 30.949 29.460 -0.018 0.000 1.298 53 W HN 0.511 nan 8.180 nan 0.000 0.525 54 L N 3.641 125.002 121.223 0.229 0.000 2.307 54 L HA 0.580 4.920 4.340 -0.000 0.000 0.284 54 L C -0.459 176.506 176.870 0.158 0.000 1.023 54 L CA -1.212 53.712 54.840 0.141 0.000 0.810 54 L CB 1.161 43.301 42.059 0.135 0.000 1.231 54 L HN 0.031 nan 8.230 nan 0.000 0.423 55 V N 4.258 124.196 119.914 0.040 0.000 2.384 55 V HA 0.441 4.561 4.120 -0.000 0.000 0.287 55 V C 0.079 176.155 176.094 -0.030 0.000 1.020 55 V CA -0.564 61.740 62.300 0.007 0.000 0.850 55 V CB 1.983 33.747 31.823 -0.098 0.000 0.987 55 V HN 0.551 nan 8.190 nan 0.000 0.436 56 V N 1.719 121.652 119.914 0.033 0.000 3.019 56 V HA 1.111 5.231 4.120 -0.000 0.000 0.317 56 V C 0.176 176.291 176.094 0.034 0.000 1.094 56 V CA -0.407 61.900 62.300 0.012 0.000 1.000 56 V CB 1.285 33.153 31.823 0.075 0.000 1.060 56 V HN 1.685 nan 8.190 nan 0.000 0.443 57 G N 0.184 109.013 108.800 0.048 0.000 3.039 57 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 57 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 57 G C -0.614 174.335 174.900 0.082 0.000 1.066 57 G CA 0.239 45.394 45.100 0.091 0.000 0.774 57 G HN 1.817 nan 8.290 nan 0.000 0.591 58 Y N 1.425 121.755 120.300 0.050 0.000 2.053 58 Y HA -0.210 4.339 4.550 -0.000 0.000 0.277 58 Y C 2.524 178.432 175.900 0.014 0.000 1.159 58 Y CA 2.746 60.879 58.100 0.056 0.000 1.125 58 Y CB 0.046 38.574 38.460 0.113 0.000 0.969 58 Y HN 0.653 nan 8.280 nan 0.000 0.492 59 D N -0.228 120.281 120.400 0.182 0.000 2.116 59 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 59 D C 2.248 178.509 176.300 -0.065 0.000 0.998 59 D CA 1.610 55.651 54.000 0.068 0.000 0.836 59 D CB -0.345 40.521 40.800 0.109 0.000 0.951 59 D HN 0.222 nan 8.370 nan 0.000 0.449 60 R N 0.790 121.261 120.500 -0.048 0.000 2.092 60 R HA 0.019 4.359 4.340 -0.000 0.000 0.231 60 R C 2.137 178.344 176.300 -0.154 0.000 1.119 60 R CA 1.304 57.356 56.100 -0.079 0.000 0.970 60 R CB -0.687 29.586 30.300 -0.046 0.000 0.864 60 R HN 0.130 nan 8.270 nan 0.000 0.440 61 A N 0.585 123.295 122.820 -0.183 0.000 1.858 61 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 61 A C 2.157 179.589 177.584 -0.254 0.000 1.190 61 A CA 1.794 53.693 52.037 -0.232 0.000 0.617 61 A CB -0.658 18.195 19.000 -0.245 0.000 0.827 61 A HN 0.385 nan 8.150 nan 0.000 0.443 62 R N -0.237 120.047 120.500 -0.359 0.000 2.096 62 R HA -0.158 4.182 4.340 -0.000 0.000 0.240 62 R C 2.243 178.495 176.300 -0.080 0.000 1.139 62 R CA 1.899 57.817 56.100 -0.302 0.000 0.952 62 R CB -0.541 29.445 30.300 -0.523 0.000 0.854 62 R HN 0.412 nan 8.270 nan 0.000 0.436 63 A N 0.410 123.168 122.820 -0.103 0.000 1.877 63 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 63 A C 2.342 179.868 177.584 -0.096 0.000 1.186 63 A CA 1.738 53.747 52.037 -0.047 0.000 0.620 63 A CB -0.637 18.336 19.000 -0.045 0.000 0.822 63 A HN 0.252 nan 8.150 nan 0.000 0.443 64 V N 0.170 119.945 119.914 -0.232 0.000 2.343 64 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 64 V C 2.550 178.435 176.094 -0.348 0.000 1.051 64 V CA 1.865 63.870 62.300 -0.491 0.000 1.036 64 V CB -0.801 30.586 31.823 -0.727 0.000 0.654 64 V HN 0.565 nan 8.190 nan 0.000 0.451 65 L N 0.040 121.150 121.223 -0.189 0.000 2.079 65 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 65 L C 2.456 179.305 176.870 -0.035 0.000 1.081 65 L CA 1.811 56.601 54.840 -0.084 0.000 0.752 65 L CB -0.553 41.517 42.059 0.019 0.000 0.896 65 L HN 0.401 nan 8.230 nan 0.000 0.433 66 A N -2.041 120.766 122.820 -0.021 0.000 2.169 66 A HA -0.039 4.281 4.320 -0.000 0.000 0.210 66 A C 0.758 178.337 177.584 -0.009 0.000 1.168 66 A CA -0.172 51.828 52.037 -0.063 0.000 0.813 66 A CB -0.127 18.790 19.000 -0.140 0.000 0.861 66 A HN 0.231 nan 8.150 nan 0.000 0.481 67 D N 0.890 121.306 120.400 0.026 0.000 2.426 67 D HA 0.100 4.740 4.640 -0.000 0.000 0.261 67 D C -1.734 174.659 176.300 0.155 0.000 1.245 67 D CA -1.421 52.647 54.000 0.114 0.000 0.917 67 D CB 1.034 41.967 40.800 0.221 0.000 1.123 67 D HN 0.068 nan 8.370 nan 0.000 0.508 68 P HA -0.031 nan 4.420 nan 0.000 0.228 68 P C 1.038 178.372 177.300 0.056 0.000 1.151 68 P CA 0.666 63.803 63.100 0.061 0.000 0.770 68 P CB 0.245 31.960 31.700 0.025 0.000 0.786 69 R N -1.623 118.916 120.500 0.065 0.000 2.235 69 R HA 0.030 4.370 4.340 -0.000 0.000 0.213 69 R C 0.095 176.265 176.300 -0.216 0.000 1.059 69 R CA 0.559 56.606 56.100 -0.089 0.000 0.997 69 R CB -0.276 29.927 30.300 -0.163 0.000 0.884 69 R HN 0.226 nan 8.270 nan 0.000 0.462 70 F N 0.388 120.308 119.950 -0.050 0.000 2.361 70 F HA 0.222 4.749 4.527 0.000 0.000 0.364 70 F C 0.582 176.348 175.800 -0.057 0.000 1.120 70 F CA -0.576 57.382 58.000 -0.070 0.000 1.102 70 F CB 1.446 40.383 39.000 -0.104 0.000 1.183 70 F HN -0.205 nan 8.300 nan 0.000 0.476 71 S N 2.574 118.326 115.700 0.088 0.000 2.652 71 S HA 0.405 4.875 4.470 -0.000 0.000 0.270 71 S C 0.725 175.346 174.600 0.035 0.000 1.243 71 S CA -0.597 57.657 58.200 0.089 0.000 0.999 71 S CB 0.958 64.225 63.200 0.112 0.000 0.973 71 S HN 0.726 nan 8.310 nan 0.000 0.544 72 K N 0.822 121.243 120.400 0.034 0.000 2.402 72 K HA 0.173 4.493 4.320 -0.000 0.000 0.204 72 K C -0.561 176.110 176.600 0.119 0.000 1.056 72 K CA -0.276 55.969 56.287 -0.071 0.000 1.069 72 K CB 0.317 32.687 32.500 -0.216 0.000 0.888 72 K HN 0.544 nan 8.250 nan 0.000 0.546 73 D N -0.064 120.448 120.400 0.188 0.000 2.316 73 D HA 0.003 4.643 4.640 -0.000 0.000 0.245 73 D C 0.325 176.713 176.300 0.146 0.000 1.171 73 D CA -0.362 53.750 54.000 0.187 0.000 0.856 73 D CB 0.507 41.385 40.800 0.130 0.000 1.090 73 D HN 0.042 nan 8.370 nan 0.000 0.476 74 W N 3.226 124.574 121.300 0.080 0.000 2.424 74 W HA -0.058 4.602 4.660 -0.000 0.000 0.264 74 W C 2.134 178.511 176.519 -0.236 0.000 1.229 74 W CA 0.143 57.391 57.345 -0.162 0.000 1.208 74 W CB -0.110 29.297 29.460 -0.089 0.000 1.127 74 W HN 0.394 nan 8.180 nan 0.000 0.588 75 R N 0.208 120.741 120.500 0.054 0.000 2.357 75 R HA -0.074 4.266 4.340 -0.000 0.000 0.202 75 R C 0.912 177.175 176.300 -0.061 0.000 1.047 75 R CA 0.688 56.792 56.100 0.006 0.000 1.034 75 R CB -0.314 30.003 30.300 0.029 0.000 0.875 75 R HN 0.185 nan 8.270 nan 0.000 0.473 76 N N -0.438 118.179 118.700 -0.139 0.000 2.187 76 N HA -0.004 4.736 4.740 -0.000 0.000 0.212 76 N C -0.461 174.843 175.510 -0.342 0.000 1.152 76 N CA 0.162 53.121 53.050 -0.152 0.000 0.872 76 N CB 1.152 39.618 38.487 -0.035 0.000 1.025 76 N HN -0.065 nan 8.380 nan 0.000 0.514 77 S N 0.272 115.589 115.700 -0.638 0.000 2.480 77 S HA 0.191 4.661 4.470 -0.000 0.000 0.286 77 S C 1.464 175.886 174.600 -0.296 0.000 1.180 77 S CA -0.500 57.195 58.200 -0.843 0.000 1.075 77 S CB 0.942 63.170 63.200 -1.620 0.000 0.996 77 S HN 0.326 nan 8.310 nan 0.000 0.487 78 T N 1.492 115.952 114.554 -0.158 0.000 3.035 78 T HA 0.040 4.390 4.350 -0.000 0.000 0.268 78 T C 0.699 175.402 174.700 0.005 0.000 1.109 78 T CA 0.615 62.687 62.100 -0.047 0.000 1.119 78 T CB -0.487 68.377 68.868 -0.005 0.000 0.900 78 T HN 0.531 nan 8.240 nan 0.000 0.503 79 T N 4.380 118.950 114.554 0.027 0.000 2.728 79 T HA 0.448 4.798 4.350 -0.000 0.000 0.296 79 T C -2.585 172.240 174.700 0.209 0.000 0.940 79 T CA -1.172 61.015 62.100 0.145 0.000 1.013 79 T CB 1.321 70.347 68.868 0.262 0.000 0.912 79 T HN 0.178 nan 8.240 nan 0.000 0.484 80 P HA 0.248 nan 4.420 nan 0.000 0.272 80 P C -0.401 176.915 177.300 0.027 0.000 1.223 80 P CA -0.528 62.622 63.100 0.082 0.000 0.784 80 P CB 0.591 32.310 31.700 0.033 0.000 0.923 81 L N 1.660 122.817 121.223 -0.109 0.000 2.350 81 L HA 0.296 4.636 4.340 -0.000 0.000 0.275 81 L C 1.186 177.929 176.870 -0.212 0.000 1.099 81 L CA -0.383 54.248 54.840 -0.350 0.000 0.808 81 L CB 0.783 42.524 42.059 -0.531 0.000 1.149 81 L HN 0.461 nan 8.230 nan 0.000 0.442 82 T N -1.948 112.476 114.554 -0.216 0.000 2.828 82 T HA 0.046 4.396 4.350 -0.000 0.000 0.290 82 T C 0.993 175.608 174.700 -0.141 0.000 1.019 82 T CA -0.465 61.554 62.100 -0.135 0.000 1.031 82 T CB 1.180 69.981 68.868 -0.111 0.000 1.001 82 T HN 0.783 nan 8.240 nan 0.000 0.531 83 E N 1.147 121.290 120.200 -0.096 0.000 2.065 83 E HA -0.284 4.066 4.350 -0.000 0.000 0.201 83 E C 2.259 178.795 176.600 -0.106 0.000 1.016 83 E CA 1.615 57.964 56.400 -0.086 0.000 0.818 83 E CB -0.695 28.970 29.700 -0.059 0.000 0.749 83 E HN 0.826 nan 8.360 nan 0.000 0.453 84 A N 0.966 123.720 122.820 -0.110 0.000 1.883 84 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 84 A C 1.959 179.433 177.584 -0.183 0.000 1.186 84 A CA 1.897 53.858 52.037 -0.127 0.000 0.624 84 A CB -0.636 18.299 19.000 -0.107 0.000 0.822 84 A HN 0.452 nan 8.150 nan 0.000 0.444 85 E N -0.169 119.895 120.200 -0.226 0.000 2.150 85 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 85 E C 2.102 178.513 176.600 -0.315 0.000 0.985 85 E CA 0.814 57.023 56.400 -0.318 0.000 0.814 85 E CB -0.296 29.153 29.700 -0.418 0.000 0.752 85 E HN 0.615 nan 8.360 nan 0.000 0.466 86 A N 1.238 123.906 122.820 -0.253 0.000 2.121 86 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 86 A C 2.254 179.785 177.584 -0.089 0.000 1.154 86 A CA 1.271 53.197 52.037 -0.186 0.000 0.679 86 A CB -0.331 18.590 19.000 -0.131 0.000 0.795 86 A HN 0.276 nan 8.150 nan 0.000 0.458 87 A N -0.839 121.915 122.820 -0.110 0.000 2.021 87 A HA 0.312 4.632 4.320 -0.000 0.000 0.216 87 A C 1.618 179.159 177.584 -0.071 0.000 1.163 87 A CA 0.909 52.903 52.037 -0.072 0.000 0.676 87 A CB -0.164 18.779 19.000 -0.095 0.000 0.818 87 A HN 0.440 nan 8.150 nan 0.000 0.453 88 L N -0.706 120.423 121.223 -0.156 0.000 2.959 88 L HA 0.207 4.547 4.340 -0.000 0.000 0.259 88 L C 1.643 178.454 176.870 -0.099 0.000 1.185 88 L CA 0.002 54.726 54.840 -0.194 0.000 0.998 88 L CB -0.145 41.568 42.059 -0.576 0.000 1.337 88 L HN 0.495 nan 8.230 nan 0.000 0.555 89 N N 0.154 118.804 118.700 -0.084 0.000 2.396 89 N HA -0.134 4.606 4.740 -0.000 0.000 0.180 89 N C 0.673 176.167 175.510 -0.026 0.000 1.028 89 N CA 0.383 53.377 53.050 -0.094 0.000 0.893 89 N CB 0.192 38.534 38.487 -0.242 0.000 0.967 89 N HN 0.459 nan 8.380 nan 0.000 0.440 90 H N 0.907 120.003 119.070 0.044 0.000 3.268 90 H HA 0.046 4.602 4.556 0.000 0.000 0.213 90 H C -0.591 174.796 175.328 0.098 0.000 1.858 90 H CA 0.048 56.142 56.048 0.076 0.000 1.386 90 H CB -0.725 29.066 29.762 0.049 0.000 1.734 90 H HN 0.499 nan 8.280 nan 0.000 0.612 91 N N -0.546 118.268 118.700 0.189 0.000 2.381 91 N HA 0.119 4.859 4.740 -0.000 0.000 0.294 91 N C 1.311 176.936 175.510 0.191 0.000 1.216 91 N CA -0.939 52.220 53.050 0.181 0.000 0.803 91 N CB 0.973 39.573 38.487 0.188 0.000 1.372 91 N HN 0.089 nan 8.380 nan 0.000 0.500 92 M N -0.869 118.842 119.600 0.185 0.000 2.202 92 M HA -0.054 4.426 4.480 -0.000 0.000 0.262 92 M C 1.009 177.562 176.300 0.421 0.000 1.063 92 M CA 1.524 56.984 55.300 0.266 0.000 1.097 92 M CB -0.408 32.283 32.600 0.152 0.000 1.382 92 M HN 0.501 nan 8.290 nan 0.000 0.413 93 L N 1.278 122.658 121.223 0.262 0.000 2.291 93 L HA 0.043 4.383 4.340 -0.000 0.000 0.214 93 L C 0.886 177.764 176.870 0.012 0.000 1.120 93 L CA 1.644 56.563 54.840 0.132 0.000 0.799 93 L CB -0.392 41.703 42.059 0.061 0.000 0.925 93 L HN 0.400 nan 8.230 nan 0.000 0.446 94 E N -0.686 119.600 120.200 0.144 0.000 2.723 94 E HA 0.293 4.643 4.350 -0.000 0.000 0.219 94 E C -0.457 176.265 176.600 0.203 0.000 1.060 94 E CA -0.165 56.343 56.400 0.180 0.000 1.291 94 E CB 0.308 30.189 29.700 0.301 0.000 1.265 94 E HN 0.213 nan 8.360 nan 0.000 0.438 95 S N 0.221 116.058 115.700 0.228 0.000 2.607 95 S HA 0.409 4.879 4.470 -0.000 0.000 0.273 95 S C -1.068 173.703 174.600 0.286 0.000 1.148 95 S CA -1.007 57.340 58.200 0.245 0.000 0.833 95 S CB 2.077 65.435 63.200 0.263 0.000 1.130 95 S HN 0.087 nan 8.310 nan 0.000 0.470 96 D N 0.839 121.366 120.400 0.212 0.000 2.414 96 D HA 0.556 5.196 4.640 -0.000 0.000 0.241 96 D C -2.735 173.658 176.300 0.156 0.000 1.008 96 D CA -1.671 52.423 54.000 0.158 0.000 1.001 96 D CB 0.807 41.673 40.800 0.110 0.000 1.277 96 D HN 0.101 nan 8.370 nan 0.000 0.538 97 P HA 0.129 nan 4.420 nan 0.000 0.269 97 P C -1.602 175.749 177.300 0.086 0.000 1.215 97 P CA -0.691 62.476 63.100 0.111 0.000 0.780 97 P CB 0.291 32.032 31.700 0.070 0.000 0.898 98 P HA 0.071 nan 4.420 nan 0.000 0.240 98 P C 1.347 178.697 177.300 0.085 0.000 1.190 98 P CA 0.611 63.755 63.100 0.074 0.000 0.781 98 P CB 0.392 32.123 31.700 0.051 0.000 0.931 99 R N 0.127 120.690 120.500 0.105 0.000 2.091 99 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 99 R C 2.649 179.020 176.300 0.119 0.000 1.136 99 R CA 1.406 57.573 56.100 0.111 0.000 0.959 99 R CB -0.901 29.480 30.300 0.134 0.000 0.856 99 R HN 0.234 nan 8.270 nan 0.000 0.437 100 H N -0.116 118.998 119.070 0.074 0.000 2.319 100 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 100 H C 1.302 176.648 175.328 0.030 0.000 1.092 100 H CA 2.154 58.243 56.048 0.068 0.000 1.302 100 H CB -0.101 29.689 29.762 0.046 0.000 1.373 100 H HN 0.236 nan 8.280 nan 0.000 0.497 101 T N 1.124 115.664 114.554 -0.024 0.000 2.684 101 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 101 T C 2.160 176.804 174.700 -0.092 0.000 1.036 101 T CA 1.733 63.789 62.100 -0.072 0.000 1.148 101 T CB -0.259 68.628 68.868 0.031 0.000 0.863 101 T HN 0.387 nan 8.240 nan 0.000 0.436 102 R N 0.678 121.156 120.500 -0.037 0.000 2.075 102 R HA 0.033 4.373 4.340 -0.000 0.000 0.232 102 R C 2.374 178.655 176.300 -0.032 0.000 1.126 102 R CA 1.076 57.164 56.100 -0.020 0.000 0.963 102 R CB -0.382 29.925 30.300 0.011 0.000 0.858 102 R HN 0.366 nan 8.270 nan 0.000 0.435 103 L N 0.014 121.211 121.223 -0.043 0.000 2.072 103 L HA -0.068 4.272 4.340 -0.000 0.000 0.205 103 L C 2.886 179.720 176.870 -0.061 0.000 1.079 103 L CA 1.270 56.094 54.840 -0.027 0.000 0.752 103 L CB -0.429 41.638 42.059 0.013 0.000 0.906 103 L HN 0.241 nan 8.230 nan 0.000 0.436 104 R N 0.723 121.118 120.500 -0.174 0.000 2.092 104 R HA -0.159 4.181 4.340 -0.000 0.000 0.231 104 R C 2.261 178.527 176.300 -0.057 0.000 1.119 104 R CA 1.287 57.297 56.100 -0.150 0.000 0.970 104 R CB 0.025 30.133 30.300 -0.321 0.000 0.864 104 R HN 0.227 nan 8.270 nan 0.000 0.440 105 K N 0.348 120.711 120.400 -0.061 0.000 2.152 105 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 105 K C 1.965 178.565 176.600 -0.000 0.000 1.048 105 K CA 1.278 57.552 56.287 -0.021 0.000 0.933 105 K CB -0.120 32.367 32.500 -0.021 0.000 0.721 105 K HN 0.254 nan 8.250 nan 0.000 0.447 106 L N 0.387 121.612 121.223 0.003 0.000 2.265 106 L HA -0.135 4.205 4.340 -0.000 0.000 0.215 106 L C 1.879 178.768 176.870 0.031 0.000 1.117 106 L CA 0.873 55.723 54.840 0.015 0.000 0.782 106 L CB -0.209 41.862 42.059 0.020 0.000 0.914 106 L HN 0.116 nan 8.230 nan 0.000 0.441 107 V N -6.453 113.497 119.914 0.060 0.000 3.398 107 V HA 0.399 4.519 4.120 -0.000 0.000 0.298 107 V C 2.051 178.238 176.094 0.154 0.000 1.496 107 V CA 0.346 62.711 62.300 0.109 0.000 1.044 107 V CB 0.066 32.020 31.823 0.218 0.000 0.880 107 V HN 0.088 nan 8.190 nan 0.000 0.443 108 A N 1.746 124.632 122.820 0.110 0.000 1.892 108 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 108 A C 2.529 180.170 177.584 0.095 0.000 1.188 108 A CA 3.589 55.698 52.037 0.120 0.000 0.631 108 A CB -0.926 18.111 19.000 0.062 0.000 0.822 108 A HN 0.915 nan 8.150 nan 0.000 0.447 109 R N -0.239 120.279 120.500 0.029 0.000 2.200 109 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 109 R C 1.710 177.966 176.300 -0.074 0.000 1.127 109 R CA 1.820 57.913 56.100 -0.012 0.000 0.989 109 R CB -1.103 29.183 30.300 -0.025 0.000 0.869 109 R HN 0.703 nan 8.270 nan 0.000 0.459 110 E N -0.552 119.555 120.200 -0.155 0.000 2.268 110 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 110 E C 0.196 176.405 176.600 -0.652 0.000 0.995 110 E CA 0.827 56.953 56.400 -0.457 0.000 0.836 110 E CB -0.006 29.271 29.700 -0.705 0.000 0.763 110 E HN 0.739 nan 8.360 nan 0.000 0.491 111 F N 0.767 120.712 119.950 -0.009 0.000 2.855 111 F HA 0.113 4.641 4.527 0.000 0.000 0.317 111 F C 0.788 176.582 175.800 -0.010 0.000 1.169 111 F CA -0.570 57.422 58.000 -0.012 0.000 1.299 111 F CB 0.143 39.133 39.000 -0.017 0.000 0.962 111 F HN -0.258 nan 8.300 nan 0.000 0.506 112 T N -2.724 111.882 114.554 0.087 0.000 2.813 112 T HA 0.076 4.426 4.350 -0.000 0.000 0.297 112 T C 1.483 176.212 174.700 0.049 0.000 1.036 112 T CA -0.662 61.475 62.100 0.062 0.000 1.044 112 T CB 1.284 70.168 68.868 0.027 0.000 0.993 112 T HN 0.408 nan 8.240 nan 0.000 0.535 113 M N 1.225 120.850 119.600 0.041 0.000 2.108 113 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 113 M C 2.521 178.834 176.300 0.022 0.000 1.066 113 M CA 1.775 57.095 55.300 0.033 0.000 1.107 113 M CB -0.237 32.381 32.600 0.029 0.000 1.356 113 M HN 0.811 nan 8.290 nan 0.000 0.406 114 R N -0.827 119.680 120.500 0.013 0.000 2.090 114 R HA -0.083 4.257 4.340 -0.000 0.000 0.228 114 R C 1.939 178.236 176.300 -0.005 0.000 1.110 114 R CA 1.086 57.188 56.100 0.004 0.000 0.973 114 R CB -0.605 29.695 30.300 -0.000 0.000 0.869 114 R HN 0.234 nan 8.270 nan 0.000 0.440 115 R N 1.094 121.586 120.500 -0.013 0.000 2.073 115 R HA 0.043 4.383 4.340 -0.000 0.000 0.229 115 R C 2.226 178.508 176.300 -0.030 0.000 1.120 115 R CA 0.988 57.067 56.100 -0.036 0.000 0.967 115 R CB -0.694 29.565 30.300 -0.068 0.000 0.862 115 R HN 0.086 nan 8.270 nan 0.000 0.436 116 V N 0.649 120.560 119.914 -0.004 0.000 2.515 116 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 116 V C 2.075 178.178 176.094 0.014 0.000 1.058 116 V CA 1.726 64.036 62.300 0.017 0.000 1.064 116 V CB -0.421 31.438 31.823 0.059 0.000 0.675 116 V HN 0.264 nan 8.190 nan 0.000 0.461 117 E N 0.737 120.944 120.200 0.011 0.000 2.209 117 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 117 E C 1.865 178.467 176.600 0.003 0.000 0.993 117 E CA 1.326 57.732 56.400 0.010 0.000 0.819 117 E CB -0.460 29.245 29.700 0.009 0.000 0.745 117 E HN 0.614 nan 8.360 nan 0.000 0.477 118 L N -0.172 121.048 121.223 -0.005 0.000 2.456 118 L HA -0.047 4.293 4.340 -0.000 0.000 0.224 118 L C 1.767 178.631 176.870 -0.010 0.000 1.148 118 L CA 0.373 55.206 54.840 -0.010 0.000 0.825 118 L CB -0.195 41.853 42.059 -0.019 0.000 0.937 118 L HN 0.176 nan 8.230 nan 0.000 0.450 119 L N -0.940 120.280 121.223 -0.006 0.000 2.567 119 L HA 0.031 4.371 4.340 -0.000 0.000 0.225 119 L C 2.524 179.396 176.870 0.002 0.000 1.119 119 L CA 0.064 54.902 54.840 -0.003 0.000 0.871 119 L CB -0.323 41.737 42.059 0.001 0.000 1.036 119 L HN 0.215 nan 8.230 nan 0.000 0.459 120 R N 1.430 121.933 120.500 0.005 0.000 2.096 120 R HA -0.188 4.152 4.340 -0.000 0.000 0.240 120 R C -0.470 175.832 176.300 0.003 0.000 1.139 120 R CA 1.964 58.069 56.100 0.007 0.000 0.952 120 R CB -1.072 29.233 30.300 0.008 0.000 0.854 120 R HN 0.185 nan 8.270 nan 0.000 0.436 121 P HA -0.179 nan 4.420 nan 0.000 0.215 121 P C 0.775 178.074 177.300 -0.002 0.000 1.157 121 P CA 1.420 64.519 63.100 -0.001 0.000 0.874 121 P CB -0.081 31.617 31.700 -0.003 0.000 0.790 122 R N -0.139 120.359 120.500 -0.003 0.000 2.073 122 R HA -0.044 4.296 4.340 -0.000 0.000 0.229 122 R C 1.911 178.209 176.300 -0.004 0.000 1.120 122 R CA 1.422 57.520 56.100 -0.005 0.000 0.967 122 R CB -1.502 28.794 30.300 -0.007 0.000 0.862 122 R HN -0.014 nan 8.270 nan 0.000 0.436 123 V N 0.796 120.709 119.914 -0.001 0.000 2.407 123 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 123 V C 2.288 178.382 176.094 -0.000 0.000 1.055 123 V CA 2.033 64.333 62.300 -0.000 0.000 1.049 123 V CB -0.570 31.257 31.823 0.007 0.000 0.662 123 V HN 0.358 nan 8.190 nan 0.000 0.455 124 Q N 0.446 120.246 119.800 0.000 0.000 2.124 124 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 124 Q C 2.077 178.074 176.000 -0.004 0.000 0.977 124 Q CA 1.883 57.685 55.803 -0.001 0.000 0.850 124 Q CB -0.235 28.503 28.738 -0.000 0.000 0.901 124 Q HN 0.716 nan 8.270 nan 0.000 0.429 125 E N -0.395 119.803 120.200 -0.004 0.000 2.072 125 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 125 E C 1.987 178.584 176.600 -0.005 0.000 0.985 125 E CA 1.286 57.683 56.400 -0.005 0.000 0.801 125 E CB -0.143 29.555 29.700 -0.004 0.000 0.750 125 E HN 0.423 nan 8.360 nan 0.000 0.452 126 I N 0.665 121.232 120.570 -0.005 0.000 2.179 126 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 126 I C 2.371 178.485 176.117 -0.005 0.000 1.088 126 I CA 0.797 62.094 61.300 -0.005 0.000 1.357 126 I CB -0.240 37.755 38.000 -0.010 0.000 1.051 126 I HN -0.010 nan 8.210 nan 0.000 0.409 127 V N 0.835 120.746 119.914 -0.006 0.000 2.295 127 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 127 V C 2.104 178.188 176.094 -0.016 0.000 1.049 127 V CA 2.036 64.331 62.300 -0.008 0.000 1.024 127 V CB -0.674 31.145 31.823 -0.006 0.000 0.648 127 V HN 0.407 nan 8.190 nan 0.000 0.447 128 D N 0.545 120.935 120.400 -0.016 0.000 2.149 128 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 128 D C 2.160 178.447 176.300 -0.022 0.000 0.990 128 D CA 1.684 55.670 54.000 -0.022 0.000 0.839 128 D CB -0.565 40.224 40.800 -0.017 0.000 0.948 128 D HN 0.490 nan 8.370 nan 0.000 0.460 129 G N 0.974 109.766 108.800 -0.012 0.000 2.433 129 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 129 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 129 G C 1.840 176.736 174.900 -0.007 0.000 1.186 129 G CA 0.335 45.431 45.100 -0.007 0.000 0.779 129 G HN 0.241 nan 8.290 nan 0.000 0.543 130 L N 0.172 121.393 121.223 -0.003 0.000 2.046 130 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 130 L C 3.022 179.879 176.870 -0.020 0.000 1.077 130 L CA 0.542 55.384 54.840 0.003 0.000 0.747 130 L CB -0.540 41.527 42.059 0.014 0.000 0.896 130 L HN 0.096 nan 8.230 nan 0.000 0.432 131 V N -0.375 119.513 119.914 -0.044 0.000 2.343 131 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 131 V C 2.122 178.150 176.094 -0.111 0.000 1.051 131 V CA 1.853 64.098 62.300 -0.093 0.000 1.036 131 V CB -0.493 31.269 31.823 -0.101 0.000 0.654 131 V HN 0.431 nan 8.190 nan 0.000 0.451 132 D N 0.290 120.647 120.400 -0.071 0.000 2.144 132 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 132 D C 2.229 178.510 176.300 -0.033 0.000 0.984 132 D CA 1.586 55.551 54.000 -0.058 0.000 0.834 132 D CB -0.222 40.559 40.800 -0.033 0.000 0.955 132 D HN 0.438 nan 8.370 nan 0.000 0.465 133 A N 1.051 123.862 122.820 -0.015 0.000 1.877 133 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 133 A C 2.207 179.805 177.584 0.023 0.000 1.186 133 A CA 1.533 53.577 52.037 0.011 0.000 0.620 133 A CB -0.638 18.374 19.000 0.020 0.000 0.822 133 A HN 0.222 nan 8.150 nan 0.000 0.443 134 M N -0.998 118.600 119.600 -0.004 0.000 2.159 134 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 134 M C 1.206 177.523 176.300 0.029 0.000 1.063 134 M CA 1.530 56.838 55.300 0.013 0.000 1.110 134 M CB -0.160 32.403 32.600 -0.063 0.000 1.374 134 M HN 0.291 nan 8.290 nan 0.000 0.411 135 L N 0.591 121.751 121.223 -0.105 0.000 2.622 135 L HA 0.018 4.358 4.340 -0.000 0.000 0.233 135 L C 2.345 179.319 176.870 0.172 0.000 1.156 135 L CA 1.087 55.884 54.840 -0.072 0.000 0.866 135 L CB -1.279 40.657 42.059 -0.205 0.000 0.980 135 L HN 0.332 nan 8.230 nan 0.000 0.448 136 A N -0.571 122.332 122.820 0.139 0.000 2.206 136 A HA 0.299 4.619 4.320 -0.000 0.000 0.211 136 A C 1.473 179.154 177.584 0.161 0.000 1.158 136 A CA 0.470 52.583 52.037 0.127 0.000 0.761 136 A CB -0.554 18.493 19.000 0.078 0.000 0.801 136 A HN 0.257 nan 8.150 nan 0.000 0.473 137 A N 0.999 123.970 122.820 0.252 0.000 2.526 137 A HA 0.392 4.712 4.320 -0.000 0.000 0.267 137 A C -0.928 176.723 177.584 0.111 0.000 1.095 137 A CA -0.629 51.522 52.037 0.189 0.000 0.775 137 A CB -0.160 18.987 19.000 0.245 0.000 1.036 137 A HN 0.239 nan 8.150 nan 0.000 0.510 138 P HA -0.141 nan 4.420 nan 0.000 0.221 138 P C 0.578 177.857 177.300 -0.035 0.000 1.145 138 P CA 1.617 64.728 63.100 0.017 0.000 0.795 138 P CB 0.204 31.910 31.700 0.010 0.000 0.775 139 D N -2.543 117.806 120.400 -0.085 0.000 2.395 139 D HA 0.118 4.758 4.640 -0.000 0.000 0.213 139 D C 1.110 177.214 176.300 -0.328 0.000 1.110 139 D CA 0.141 54.047 54.000 -0.156 0.000 0.835 139 D CB -0.798 39.924 40.800 -0.130 0.000 0.965 139 D HN 0.101 nan 8.370 nan 0.000 0.505 140 G N 1.089 109.616 108.800 -0.455 0.000 2.249 140 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.273 140 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.273 140 G C -0.018 173.928 174.900 -1.590 0.000 1.036 140 G CA 0.163 44.535 45.100 -1.213 0.000 0.824 140 G HN 0.462 nan 8.290 nan 0.000 0.504 141 R N -0.789 119.169 120.500 -0.903 0.000 2.744 141 R HA 0.843 5.183 4.340 -0.000 0.000 0.279 141 R C -0.191 176.040 176.300 -0.116 0.000 0.977 141 R CA -0.041 55.767 56.100 -0.486 0.000 0.906 141 R CB 2.215 32.370 30.300 -0.242 0.000 1.197 141 R HN 0.963 nan 8.270 nan 0.000 0.463 142 A N 1.043 123.924 122.820 0.102 0.000 2.586 142 A HA 0.330 4.650 4.320 -0.000 0.000 0.291 142 A C -2.021 175.652 177.584 0.148 0.000 1.062 142 A CA -0.761 51.398 52.037 0.204 0.000 0.666 142 A CB 1.845 21.085 19.000 0.401 0.000 1.281 142 A HN 0.641 nan 8.150 nan 0.000 0.421 143 D N 0.678 121.141 120.400 0.106 0.000 2.373 143 D HA 0.395 5.035 4.640 -0.000 0.000 0.227 143 D C 0.733 177.081 176.300 0.080 0.000 1.091 143 D CA -0.488 53.552 54.000 0.068 0.000 0.840 143 D CB 1.199 42.019 40.800 0.034 0.000 1.060 143 D HN 0.330 nan 8.370 nan 0.000 0.502 144 L N 4.480 125.749 121.223 0.077 0.000 2.191 144 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 144 L C 1.888 178.800 176.870 0.070 0.000 1.103 144 L CA 1.548 56.432 54.840 0.073 0.000 0.769 144 L CB -0.634 41.463 42.059 0.064 0.000 0.908 144 L HN 0.642 nan 8.230 nan 0.000 0.438 145 M N -0.352 119.281 119.600 0.055 0.000 2.067 145 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 145 M C 2.240 178.625 176.300 0.141 0.000 1.069 145 M CA 2.128 57.479 55.300 0.085 0.000 1.117 145 M CB -0.637 31.988 32.600 0.042 0.000 1.334 145 M HN 0.400 nan 8.290 nan 0.000 0.407 146 E N -1.139 119.117 120.200 0.093 0.000 2.072 146 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 146 E C 1.706 178.382 176.600 0.126 0.000 0.985 146 E CA 1.548 58.002 56.400 0.090 0.000 0.801 146 E CB -0.051 29.668 29.700 0.031 0.000 0.750 146 E HN 0.574 nan 8.360 nan 0.000 0.452 147 S N -0.157 115.606 115.700 0.105 0.000 2.436 147 S HA -0.025 4.445 4.470 -0.000 0.000 0.228 147 S C 1.483 176.138 174.600 0.092 0.000 1.014 147 S CA 0.874 59.131 58.200 0.095 0.000 0.950 147 S CB 0.202 63.451 63.200 0.081 0.000 0.784 147 S HN 0.310 nan 8.310 nan 0.000 0.504 148 L N -0.560 120.724 121.223 0.100 0.000 2.567 148 L HA 0.540 4.880 4.340 -0.000 0.000 0.228 148 L C 1.864 178.790 176.870 0.094 0.000 1.046 148 L CA 0.926 55.814 54.840 0.079 0.000 1.013 148 L CB -1.036 41.047 42.059 0.040 0.000 1.944 148 L HN 0.042 nan 8.230 nan 0.000 0.510 149 A N -0.335 122.548 122.820 0.105 0.000 1.892 149 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 149 A C 2.034 179.701 177.584 0.138 0.000 1.188 149 A CA 2.334 54.432 52.037 0.102 0.000 0.631 149 A CB -1.331 17.725 19.000 0.093 0.000 0.822 149 A HN 0.720 nan 8.150 nan 0.000 0.447 150 W N 1.102 122.436 121.300 0.057 0.000 2.444 150 W HA -0.003 4.657 4.660 0.000 0.000 0.308 150 W C -0.675 175.920 176.519 0.126 0.000 1.183 150 W CA 2.003 59.407 57.345 0.099 0.000 1.340 150 W CB -0.552 28.960 29.460 0.087 0.000 1.138 150 W HN 0.281 nan 8.180 nan 0.000 0.510 151 P HA -0.219 nan 4.420 nan 0.000 0.216 151 P C 1.829 179.074 177.300 -0.092 0.000 1.150 151 P CA 1.495 64.645 63.100 0.082 0.000 0.837 151 P CB -0.320 31.509 31.700 0.215 0.000 0.786 152 L N 1.273 122.469 121.223 -0.044 0.000 1.970 152 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 152 L C -0.712 176.095 176.870 -0.106 0.000 1.071 152 L CA 2.826 57.633 54.840 -0.055 0.000 0.751 152 L CB -2.405 39.645 42.059 -0.015 0.000 0.889 152 L HN -0.026 nan 8.230 nan 0.000 0.432 153 P HA -0.164 nan 4.420 nan 0.000 0.215 153 P C 1.994 179.145 177.300 -0.247 0.000 1.153 153 P CA 1.411 64.439 63.100 -0.119 0.000 0.853 153 P CB -0.127 31.554 31.700 -0.032 0.000 0.788 154 I N -0.917 119.377 120.570 -0.461 0.000 2.286 154 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 154 I C 1.716 177.604 176.117 -0.382 0.000 1.115 154 I CA 1.985 62.892 61.300 -0.656 0.000 1.392 154 I CB -1.106 36.273 38.000 -1.034 0.000 1.065 154 I HN -0.088 nan 8.210 nan 0.000 0.418 155 T N -0.359 114.039 114.554 -0.260 0.000 2.737 155 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 155 T C 2.029 176.661 174.700 -0.113 0.000 1.038 155 T CA 1.733 63.746 62.100 -0.146 0.000 1.144 155 T CB -0.419 68.398 68.868 -0.086 0.000 0.866 155 T HN 0.182 nan 8.240 nan 0.000 0.434 156 V N 1.213 121.065 119.914 -0.103 0.000 2.261 156 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 156 V C 2.366 178.424 176.094 -0.060 0.000 1.047 156 V CA 1.321 63.584 62.300 -0.062 0.000 1.015 156 V CB -0.531 31.270 31.823 -0.037 0.000 0.642 156 V HN 0.347 nan 8.190 nan 0.000 0.446 157 I N -0.083 120.429 120.570 -0.097 0.000 2.394 157 I HA -0.156 4.014 4.170 -0.000 0.000 0.251 157 I C 2.458 178.516 176.117 -0.098 0.000 1.136 157 I CA 1.455 62.706 61.300 -0.081 0.000 1.425 157 I CB -0.288 37.636 38.000 -0.127 0.000 1.079 157 I HN 0.193 nan 8.210 nan 0.000 0.425 158 S N 0.172 115.781 115.700 -0.152 0.000 2.383 158 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 158 S C 1.837 176.404 174.600 -0.055 0.000 1.026 158 S CA 1.303 59.427 58.200 -0.126 0.000 0.981 158 S CB -0.316 62.790 63.200 -0.156 0.000 0.818 158 S HN 0.547 nan 8.310 nan 0.000 0.472 159 E N 0.554 120.724 120.200 -0.049 0.000 2.072 159 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 159 E C 1.940 178.529 176.600 -0.017 0.000 0.985 159 E CA 0.711 57.096 56.400 -0.025 0.000 0.801 159 E CB -0.188 29.497 29.700 -0.025 0.000 0.750 159 E HN 0.234 nan 8.360 nan 0.000 0.452 160 L N 0.622 121.835 121.223 -0.016 0.000 2.017 160 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 160 L C 2.202 179.072 176.870 -0.000 0.000 1.073 160 L CA 1.501 56.337 54.840 -0.008 0.000 0.745 160 L CB -0.295 41.776 42.059 0.020 0.000 0.894 160 L HN 0.129 nan 8.230 nan 0.000 0.432 161 L N -1.573 119.655 121.223 0.008 0.000 2.209 161 L HA 0.137 4.477 4.340 -0.000 0.000 0.207 161 L C 1.185 178.068 176.870 0.021 0.000 1.094 161 L CA 0.758 55.611 54.840 0.021 0.000 0.790 161 L CB -0.297 41.778 42.059 0.026 0.000 0.932 161 L HN 0.510 nan 8.230 nan 0.000 0.447 162 G N 0.282 109.091 108.800 0.015 0.000 2.226 162 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.176 162 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.176 162 G C -0.246 174.687 174.900 0.055 0.000 1.042 162 G CA -0.351 44.765 45.100 0.027 0.000 0.732 162 G HN 0.015 nan 8.290 nan 0.000 0.494 163 V N 1.392 121.338 119.914 0.054 0.000 2.385 163 V HA 0.354 4.474 4.120 -0.000 0.000 0.269 163 V C -1.366 174.790 176.094 0.104 0.000 1.043 163 V CA -1.500 60.871 62.300 0.118 0.000 0.906 163 V CB 1.286 33.152 31.823 0.072 0.000 0.995 163 V HN 0.202 nan 8.190 nan 0.000 0.467 164 P HA -0.032 nan 4.420 nan 0.000 0.264 164 P C 1.027 178.384 177.300 0.095 0.000 1.183 164 P CA 0.230 63.396 63.100 0.111 0.000 0.763 164 P CB 0.609 32.390 31.700 0.135 0.000 0.807 165 E N 5.772 126.008 120.200 0.060 0.000 2.108 165 E HA -0.221 4.129 4.350 -0.000 0.000 0.203 165 E C -0.933 175.702 176.600 0.059 0.000 1.022 165 E CA 2.428 58.857 56.400 0.049 0.000 0.823 165 E CB -1.719 28.003 29.700 0.036 0.000 0.744 165 E HN 0.365 nan 8.360 nan 0.000 0.456 166 P HA -0.081 nan 4.420 nan 0.000 0.218 166 P C 0.512 177.833 177.300 0.035 0.000 1.149 166 P CA 1.456 64.582 63.100 0.044 0.000 0.817 166 P CB -0.094 31.632 31.700 0.044 0.000 0.785 167 D N -1.363 119.081 120.400 0.073 0.000 2.363 167 D HA -0.008 4.632 4.640 -0.000 0.000 0.220 167 D C 1.764 178.122 176.300 0.097 0.000 0.994 167 D CA 0.472 54.491 54.000 0.032 0.000 0.890 167 D CB -0.315 40.582 40.800 0.161 0.000 0.906 167 D HN 0.220 nan 8.370 nan 0.000 0.530 168 R N 0.639 121.230 120.500 0.152 0.000 2.153 168 R HA 0.124 4.464 4.340 -0.000 0.000 0.218 168 R C 2.142 178.617 176.300 0.292 0.000 1.072 168 R CA 0.864 57.115 56.100 0.253 0.000 0.990 168 R CB -0.092 30.273 30.300 0.109 0.000 0.889 168 R HN 0.056 nan 8.270 nan 0.000 0.452 169 A N 1.537 124.423 122.820 0.109 0.000 1.972 169 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 169 A C 2.355 179.847 177.584 -0.152 0.000 1.169 169 A CA 1.639 53.685 52.037 0.014 0.000 0.635 169 A CB -0.524 18.437 19.000 -0.064 0.000 0.810 169 A HN 0.372 nan 8.150 nan 0.000 0.446 170 A N -1.302 121.302 122.820 -0.359 0.000 2.015 170 A HA 0.035 4.355 4.320 -0.000 0.000 0.219 170 A C 1.816 178.808 177.584 -0.986 0.000 1.163 170 A CA 1.244 52.716 52.037 -0.941 0.000 0.646 170 A CB -0.714 17.407 19.000 -1.465 0.000 0.806 170 A HN 0.476 nan 8.150 nan 0.000 0.448 171 F N -0.384 119.404 119.950 -0.269 0.000 2.365 171 F HA -0.050 4.477 4.527 -0.000 0.000 0.300 171 F C 2.309 178.312 175.800 0.338 0.000 1.090 171 F CA 1.308 59.430 58.000 0.203 0.000 1.408 171 F CB -0.141 39.035 39.000 0.294 0.000 1.060 171 F HN 0.178 nan 8.300 nan 0.000 0.534 172 R N 0.706 121.416 120.500 0.350 0.000 2.062 172 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 172 R C 2.285 178.522 176.300 -0.105 0.000 1.136 172 R CA 1.788 57.893 56.100 0.008 0.000 0.948 172 R CB -1.223 28.746 30.300 -0.551 0.000 0.845 172 R HN 0.213 nan 8.270 nan 0.000 0.430 173 V N -0.163 119.616 119.914 -0.224 0.000 2.358 173 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 173 V C 1.543 177.556 176.094 -0.134 0.000 1.047 173 V CA 1.628 63.795 62.300 -0.222 0.000 1.035 173 V CB -0.452 31.185 31.823 -0.310 0.000 0.658 173 V HN 0.439 nan 8.190 nan 0.000 0.452 174 W N 0.707 121.864 121.300 -0.238 0.000 2.358 174 W HA -0.082 4.577 4.660 -0.000 0.000 0.303 174 W C 2.671 178.759 176.519 -0.717 0.000 1.208 174 W CA 1.964 59.013 57.345 -0.493 0.000 1.274 174 W CB -1.777 27.393 29.460 -0.483 0.000 1.138 174 W HN 0.285 nan 8.180 nan 0.000 0.515 175 T N 0.158 114.708 114.554 -0.007 0.000 2.821 175 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 175 T C 1.203 175.906 174.700 0.005 0.000 1.046 175 T CA 1.653 63.811 62.100 0.098 0.000 1.139 175 T CB -0.357 68.728 68.868 0.363 0.000 0.871 175 T HN 0.021 nan 8.240 nan 0.000 0.454 176 D N 1.441 121.825 120.400 -0.025 0.000 2.178 176 D HA -0.015 4.625 4.640 -0.000 0.000 0.201 176 D C 2.286 178.585 176.300 -0.000 0.000 0.980 176 D CA 1.067 55.049 54.000 -0.029 0.000 0.842 176 D CB -0.239 40.547 40.800 -0.023 0.000 0.948 176 D HN 0.436 nan 8.370 nan 0.000 0.472 177 A N 0.133 122.915 122.820 -0.064 0.000 1.929 177 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 177 A C 2.088 179.739 177.584 0.112 0.000 1.176 177 A CA 0.574 52.599 52.037 -0.019 0.000 0.628 177 A CB -0.862 18.084 19.000 -0.090 0.000 0.816 177 A HN 0.196 nan 8.150 nan 0.000 0.444 178 F N -0.649 119.344 119.950 0.071 0.000 2.206 178 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 178 F C 2.241 178.041 175.800 0.000 0.000 1.090 178 F CA 0.793 58.821 58.000 0.046 0.000 1.323 178 F CB 0.070 39.112 39.000 0.070 0.000 1.028 178 F HN 0.055 nan 8.300 nan 0.000 0.492 179 V N -1.602 118.378 119.914 0.110 0.000 2.492 179 V HA -0.103 4.017 4.120 -0.000 0.000 0.241 179 V C 0.562 176.617 176.094 -0.065 0.000 1.041 179 V CA 1.094 63.321 62.300 -0.121 0.000 1.057 179 V CB -0.079 31.414 31.823 -0.550 0.000 0.711 179 V HN 0.182 nan 8.190 nan 0.000 0.468 180 F N 0.207 120.068 119.950 -0.149 0.000 2.542 180 F HA 0.370 4.897 4.527 0.000 0.000 0.323 180 F C -1.739 174.041 175.800 -0.033 0.000 1.411 180 F CA -1.890 56.048 58.000 -0.102 0.000 1.124 180 F CB 1.175 40.075 39.000 -0.168 0.000 1.331 180 F HN 0.200 nan 8.300 nan 0.000 0.560 181 P HA -0.010 nan 4.420 nan 0.000 0.271 181 P C 0.589 177.909 177.300 0.034 0.000 1.382 181 P CA 1.920 65.081 63.100 0.103 0.000 0.790 181 P CB 0.377 32.140 31.700 0.105 0.000 1.380 182 D N -5.079 115.337 120.400 0.027 0.000 2.649 182 D HA 0.419 5.059 4.640 -0.000 0.000 0.507 182 D C -0.094 176.218 176.300 0.020 0.000 1.091 182 D CA 0.631 54.632 54.000 0.002 0.000 1.076 182 D CB -0.757 40.035 40.800 -0.014 0.000 1.647 182 D HN 0.659 nan 8.370 nan 0.000 0.356 183 D N -0.736 119.689 120.400 0.041 0.000 3.020 183 D HA 0.490 5.130 4.640 -0.000 0.000 0.268 183 D C -2.788 173.547 176.300 0.060 0.000 1.078 183 D CA 0.142 54.169 54.000 0.044 0.000 0.725 183 D CB 0.282 41.100 40.800 0.031 0.000 1.639 183 D HN -0.105 nan 8.370 nan 0.000 0.455 184 P HA 0.039 nan 4.420 nan 0.000 0.216 184 P C 1.907 179.239 177.300 0.053 0.000 1.153 184 P CA 2.758 65.892 63.100 0.058 0.000 0.848 184 P CB 0.189 31.918 31.700 0.049 0.000 0.787 185 A N -0.593 122.252 122.820 0.042 0.000 1.930 185 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 185 A C 2.346 179.955 177.584 0.040 0.000 1.176 185 A CA 1.165 53.222 52.037 0.034 0.000 0.632 185 A CB -1.217 17.797 19.000 0.024 0.000 0.819 185 A HN 0.157 nan 8.150 nan 0.000 0.445 186 Q N -0.190 119.637 119.800 0.045 0.000 2.124 186 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 186 Q C 2.132 178.177 176.000 0.076 0.000 0.977 186 Q CA 1.636 57.469 55.803 0.050 0.000 0.850 186 Q CB -0.319 28.445 28.738 0.044 0.000 0.901 186 Q HN 0.591 nan 8.270 nan 0.000 0.429 187 A N 0.568 123.454 122.820 0.109 0.000 1.902 187 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 187 A C 2.023 179.721 177.584 0.190 0.000 1.181 187 A CA 1.338 53.496 52.037 0.201 0.000 0.623 187 A CB -0.451 18.672 19.000 0.204 0.000 0.818 187 A HN 0.410 nan 8.150 nan 0.000 0.443 188 Q N -0.353 119.502 119.800 0.092 0.000 2.084 188 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 188 Q C 2.213 178.231 176.000 0.030 0.000 0.978 188 Q CA 2.076 57.904 55.803 0.041 0.000 0.844 188 Q CB -1.218 27.526 28.738 0.010 0.000 0.898 188 Q HN 0.666 nan 8.270 nan 0.000 0.426 189 T N 1.544 116.118 114.554 0.033 0.000 2.684 189 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 189 T C 1.876 176.573 174.700 -0.006 0.000 1.036 189 T CA 1.618 63.728 62.100 0.017 0.000 1.148 189 T CB -0.305 68.581 68.868 0.031 0.000 0.863 189 T HN 0.440 nan 8.240 nan 0.000 0.436 190 A N 1.551 124.376 122.820 0.009 0.000 1.902 190 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 190 A C 2.384 179.832 177.584 -0.227 0.000 1.181 190 A CA 1.429 53.387 52.037 -0.132 0.000 0.623 190 A CB -0.636 18.238 19.000 -0.210 0.000 0.818 190 A HN 0.384 nan 8.150 nan 0.000 0.443 191 M N -0.698 118.968 119.600 0.109 0.000 2.086 191 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 191 M C 2.601 178.817 176.300 -0.140 0.000 1.067 191 M CA 1.616 56.947 55.300 0.051 0.000 1.116 191 M CB -0.797 31.800 32.600 -0.005 0.000 1.348 191 M HN 0.519 nan 8.290 nan 0.000 0.407 192 A N 0.046 122.797 122.820 -0.115 0.000 1.902 192 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 192 A C 1.952 179.443 177.584 -0.154 0.000 1.181 192 A CA 1.752 53.721 52.037 -0.113 0.000 0.623 192 A CB -0.692 18.269 19.000 -0.065 0.000 0.818 192 A HN 0.536 nan 8.150 nan 0.000 0.443 193 E N -1.096 118.975 120.200 -0.216 0.000 2.031 193 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 193 E C 2.100 178.380 176.600 -0.533 0.000 0.994 193 E CA 1.440 57.700 56.400 -0.233 0.000 0.800 193 E CB -0.234 29.418 29.700 -0.081 0.000 0.752 193 E HN 0.703 nan 8.360 nan 0.000 0.447 194 M N 0.375 119.299 119.600 -1.126 0.000 2.117 194 M HA -0.189 4.291 4.480 -0.000 0.000 0.262 194 M C 2.449 178.552 176.300 -0.328 0.000 1.065 194 M CA 1.393 55.976 55.300 -1.195 0.000 1.114 194 M CB -0.030 31.970 32.600 -1.000 0.000 1.361 194 M HN 0.023 nan 8.290 nan 0.000 0.408 195 S N -0.009 115.552 115.700 -0.232 0.000 2.359 195 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 195 S C 1.920 176.481 174.600 -0.065 0.000 1.035 195 S CA 1.733 59.865 58.200 -0.113 0.000 1.018 195 S CB -0.886 62.235 63.200 -0.132 0.000 0.876 195 S HN 0.712 nan 8.310 nan 0.000 0.448 196 G N -0.299 108.461 108.800 -0.066 0.000 2.440 196 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 196 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 196 G C 1.324 176.242 174.900 0.031 0.000 1.154 196 G CA 1.103 46.196 45.100 -0.012 0.000 0.767 196 G HN 0.657 nan 8.290 nan 0.000 0.552 197 Y N 1.237 121.522 120.300 -0.025 0.000 2.145 197 Y HA -0.047 4.503 4.550 0.000 0.000 0.286 197 Y C 2.558 178.513 175.900 0.092 0.000 1.145 197 Y CA 1.408 59.553 58.100 0.074 0.000 1.148 197 Y CB -0.363 38.201 38.460 0.174 0.000 0.981 197 Y HN 0.116 nan 8.280 nan 0.000 0.507 198 L N -0.778 120.387 121.223 -0.096 0.000 2.042 198 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 198 L C 2.569 179.350 176.870 -0.147 0.000 1.076 198 L CA 1.635 56.404 54.840 -0.118 0.000 0.749 198 L CB -0.801 41.307 42.059 0.083 0.000 0.893 198 L HN 0.167 nan 8.230 nan 0.000 0.432 199 S N -0.516 115.127 115.700 -0.094 0.000 2.368 199 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 199 S C 2.054 176.598 174.600 -0.093 0.000 1.030 199 S CA 1.226 59.384 58.200 -0.071 0.000 0.999 199 S CB -0.196 62.976 63.200 -0.046 0.000 0.844 199 S HN 0.363 nan 8.310 nan 0.000 0.459 200 R N 0.195 120.618 120.500 -0.129 0.000 2.115 200 R HA 0.040 4.380 4.340 -0.000 0.000 0.226 200 R C 2.273 178.479 176.300 -0.157 0.000 1.100 200 R CA 0.810 56.843 56.100 -0.112 0.000 0.980 200 R CB -0.397 29.861 30.300 -0.070 0.000 0.875 200 R HN 0.274 nan 8.270 nan 0.000 0.445 201 L N 1.051 122.090 121.223 -0.306 0.000 2.056 201 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 201 L C 1.889 178.694 176.870 -0.109 0.000 1.078 201 L CA 1.582 56.270 54.840 -0.253 0.000 0.749 201 L CB -0.202 41.612 42.059 -0.409 0.000 0.901 201 L HN 0.102 nan 8.230 nan 0.000 0.433 202 I N -0.335 120.179 120.570 -0.094 0.000 2.179 202 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 202 I C 1.923 178.021 176.117 -0.033 0.000 1.088 202 I CA 1.515 62.789 61.300 -0.043 0.000 1.357 202 I CB -0.483 37.498 38.000 -0.032 0.000 1.051 202 I HN 0.263 nan 8.210 nan 0.000 0.409 203 D N 0.400 120.776 120.400 -0.040 0.000 2.178 203 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 203 D C 2.314 178.603 176.300 -0.018 0.000 0.980 203 D CA 1.612 55.596 54.000 -0.025 0.000 0.842 203 D CB -0.175 40.610 40.800 -0.025 0.000 0.948 203 D HN 0.324 nan 8.370 nan 0.000 0.472 204 S N -0.390 115.297 115.700 -0.023 0.000 2.474 204 S HA -0.056 4.414 4.470 -0.000 0.000 0.235 204 S C 1.619 176.218 174.600 -0.002 0.000 0.997 204 S CA 0.539 58.734 58.200 -0.008 0.000 0.949 204 S CB 0.032 63.230 63.200 -0.004 0.000 0.766 204 S HN 0.053 nan 8.310 nan 0.000 0.517 205 K N 1.157 121.553 120.400 -0.006 0.000 2.202 205 K HA 0.165 4.485 4.320 -0.000 0.000 0.201 205 K C 1.011 177.610 176.600 -0.001 0.000 1.051 205 K CA 0.002 56.289 56.287 0.000 0.000 0.977 205 K CB -0.329 32.171 32.500 0.000 0.000 0.792 205 K HN 0.411 nan 8.250 nan 0.000 0.469 206 R N 0.939 121.437 120.500 -0.004 0.000 2.486 206 R HA -0.039 4.301 4.340 -0.000 0.000 0.303 206 R C 0.572 176.871 176.300 -0.001 0.000 0.958 206 R CA 1.245 57.343 56.100 -0.003 0.000 1.077 206 R CB -0.267 30.030 30.300 -0.005 0.000 0.921 206 R HN 0.512 nan 8.270 nan 0.000 0.406 207 G N 3.181 111.980 108.800 -0.001 0.000 2.162 207 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 207 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 207 G C 0.483 175.384 174.900 0.001 0.000 0.976 207 G CA 0.384 45.484 45.100 -0.000 0.000 0.655 207 G HN 0.646 nan 8.290 nan 0.000 0.533 208 Q N 0.204 120.005 119.800 0.002 0.000 2.319 208 Q HA 0.170 4.510 4.340 -0.000 0.000 0.202 208 Q C 0.765 176.767 176.000 0.003 0.000 0.896 208 Q CA 0.587 56.392 55.803 0.004 0.000 0.942 208 Q CB 0.292 29.033 28.738 0.006 0.000 1.083 208 Q HN 0.598 nan 8.270 nan 0.000 0.510 209 D N 0.412 120.813 120.400 0.001 0.000 2.837 209 D HA -0.147 4.493 4.640 -0.000 0.000 0.230 209 D C 0.450 176.750 176.300 -0.000 0.000 1.152 209 D CA 1.363 55.363 54.000 -0.000 0.000 0.736 209 D CB -1.440 39.360 40.800 -0.000 0.000 1.084 209 D HN 0.390 nan 8.370 nan 0.000 0.429 210 G N -0.130 108.670 108.800 0.001 0.000 2.569 210 G HA2 0.287 4.247 3.960 -0.000 0.000 0.249 210 G HA3 0.287 4.247 3.960 -0.000 0.000 0.249 210 G C 0.838 175.736 174.900 -0.003 0.000 1.216 210 G CA -0.243 44.858 45.100 0.001 0.000 0.845 210 G HN -0.021 nan 8.290 nan 0.000 0.568 211 E N -0.264 119.933 120.200 -0.005 0.000 2.498 211 E HA 0.057 4.407 4.350 -0.000 0.000 0.203 211 E C 0.289 176.880 176.600 -0.015 0.000 1.013 211 E CA -0.040 56.354 56.400 -0.011 0.000 0.927 211 E CB 0.359 30.052 29.700 -0.013 0.000 1.012 211 E HN 0.773 nan 8.360 nan 0.000 0.482 212 D N -0.362 120.033 120.400 -0.009 0.000 2.371 212 D HA -0.039 4.601 4.640 -0.000 0.000 0.242 212 D C 1.290 177.583 176.300 -0.012 0.000 1.218 212 D CA -0.499 53.495 54.000 -0.011 0.000 0.945 212 D CB 1.016 41.815 40.800 -0.000 0.000 1.137 212 D HN -0.171 nan 8.370 nan 0.000 0.464 213 L N 0.412 121.626 121.223 -0.015 0.000 2.083 213 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 213 L C 1.781 178.656 176.870 0.010 0.000 1.083 213 L CA 1.454 56.287 54.840 -0.012 0.000 0.752 213 L CB -0.911 41.141 42.059 -0.012 0.000 0.899 213 L HN 0.625 nan 8.230 nan 0.000 0.433 214 L N -1.272 119.963 121.223 0.020 0.000 2.093 214 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 214 L C 2.480 179.359 176.870 0.015 0.000 1.085 214 L CA 1.827 56.682 54.840 0.026 0.000 0.755 214 L CB -0.860 41.219 42.059 0.033 0.000 0.904 214 L HN 0.264 nan 8.230 nan 0.000 0.435 215 S N -0.258 115.447 115.700 0.009 0.000 2.368 215 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 215 S C 2.079 176.680 174.600 0.002 0.000 1.030 215 S CA 1.107 59.309 58.200 0.005 0.000 0.999 215 S CB -0.515 62.686 63.200 0.002 0.000 0.844 215 S HN 0.652 nan 8.310 nan 0.000 0.459 216 A N 1.122 123.942 122.820 -0.001 0.000 1.930 216 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 216 A C 2.084 179.669 177.584 0.001 0.000 1.175 216 A CA 0.985 53.019 52.037 -0.004 0.000 0.627 216 A CB -0.587 18.406 19.000 -0.013 0.000 0.815 216 A HN 0.449 nan 8.150 nan 0.000 0.443 217 L N -0.687 120.541 121.223 0.008 0.000 2.093 217 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 217 L C 2.497 179.374 176.870 0.011 0.000 1.085 217 L CA 0.788 55.637 54.840 0.015 0.000 0.755 217 L CB -0.442 41.633 42.059 0.028 0.000 0.904 217 L HN 0.232 nan 8.230 nan 0.000 0.435 218 V N -0.194 119.725 119.914 0.009 0.000 2.332 218 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 218 V C 2.639 178.734 176.094 0.002 0.000 1.055 218 V CA 1.812 64.115 62.300 0.005 0.000 1.038 218 V CB -0.555 31.269 31.823 0.002 0.000 0.651 218 V HN 0.378 nan 8.190 nan 0.000 0.450 219 R N -0.423 120.077 120.500 0.001 0.000 2.075 219 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 219 R C 2.458 178.758 176.300 -0.000 0.000 1.126 219 R CA 1.936 58.036 56.100 -0.001 0.000 0.963 219 R CB -0.583 29.715 30.300 -0.002 0.000 0.858 219 R HN 0.514 nan 8.270 nan 0.000 0.435 220 T N -0.636 113.919 114.554 0.001 0.000 2.746 220 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 220 T C 1.804 176.506 174.700 0.003 0.000 1.039 220 T CA 1.728 63.830 62.100 0.002 0.000 1.142 220 T CB -0.286 68.585 68.868 0.005 0.000 0.866 220 T HN 0.242 nan 8.240 nan 0.000 0.444 221 S N 0.680 116.382 115.700 0.004 0.000 2.383 221 S HA -0.138 4.332 4.470 -0.000 0.000 0.227 221 S C 1.686 176.285 174.600 -0.002 0.000 1.026 221 S CA 1.193 59.394 58.200 0.002 0.000 0.981 221 S CB -0.427 62.774 63.200 0.001 0.000 0.818 221 S HN 0.373 nan 8.310 nan 0.000 0.472 222 D N 1.008 121.407 120.400 -0.002 0.000 2.224 222 D HA -0.007 4.633 4.640 -0.000 0.000 0.205 222 D C 1.967 178.265 176.300 -0.003 0.000 0.965 222 D CA 0.805 54.803 54.000 -0.003 0.000 0.852 222 D CB -0.265 40.533 40.800 -0.003 0.000 0.947 222 D HN 0.611 nan 8.370 nan 0.000 0.494 223 E N -0.123 120.076 120.200 -0.002 0.000 2.107 223 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 223 E C 0.202 176.802 176.600 -0.001 0.000 0.982 223 E CA 0.680 57.079 56.400 -0.001 0.000 0.809 223 E CB 0.377 30.076 29.700 -0.001 0.000 0.756 223 E HN 0.018 nan 8.360 nan 0.000 0.459 224 D N -1.259 119.141 120.400 -0.000 0.000 2.323 224 D HA 0.108 4.748 4.640 -0.000 0.000 0.242 224 D C 0.420 176.720 176.300 0.000 0.000 1.347 224 D CA -0.214 53.787 54.000 0.000 0.000 0.988 224 D CB 1.106 41.907 40.800 0.002 0.000 1.314 224 D HN 0.056 nan 8.370 nan 0.000 0.564 225 G N 1.477 110.275 108.800 -0.002 0.000 2.559 225 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 225 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 225 G C 1.314 176.213 174.900 -0.002 0.000 1.126 225 G CA 1.122 46.219 45.100 -0.005 0.000 0.778 225 G HN 0.482 nan 8.290 nan 0.000 0.543 226 S N -0.105 115.596 115.700 0.002 0.000 2.446 226 S HA 0.104 4.574 4.470 -0.000 0.000 0.225 226 S C 2.155 176.761 174.600 0.010 0.000 1.016 226 S CA 0.158 58.362 58.200 0.006 0.000 0.943 226 S CB -0.075 63.129 63.200 0.007 0.000 0.786 226 S HN 0.404 nan 8.310 nan 0.000 0.508 227 R N -0.149 120.356 120.500 0.009 0.000 2.093 227 R HA 0.328 4.668 4.340 -0.000 0.000 0.224 227 R C -0.399 175.910 176.300 0.015 0.000 1.101 227 R CA 0.641 56.748 56.100 0.012 0.000 0.979 227 R CB -0.122 30.183 30.300 0.008 0.000 0.877 227 R HN 0.365 nan 8.270 nan 0.000 0.441 228 L N 1.419 122.649 121.223 0.011 0.000 2.568 228 L HA 0.163 4.503 4.340 -0.000 0.000 0.262 228 L C -0.242 176.629 176.870 0.002 0.000 0.980 228 L CA -0.327 54.521 54.840 0.014 0.000 0.882 228 L CB 1.516 43.585 42.059 0.016 0.000 1.198 228 L HN 0.073 nan 8.230 nan 0.000 0.425 229 T N 0.088 114.638 114.554 -0.007 0.000 2.726 229 T HA 0.264 4.614 4.350 -0.000 0.000 0.294 229 T C 1.221 175.900 174.700 -0.035 0.000 1.013 229 T CA 0.240 62.322 62.100 -0.030 0.000 0.996 229 T CB 0.883 69.715 68.868 -0.060 0.000 1.016 229 T HN 0.526 nan 8.240 nan 0.000 0.529 230 S N 0.352 116.024 115.700 -0.046 0.000 2.370 230 S HA -0.124 4.346 4.470 -0.000 0.000 0.226 230 S C 1.988 176.557 174.600 -0.052 0.000 1.033 230 S CA 1.497 59.672 58.200 -0.041 0.000 1.011 230 S CB -0.489 62.685 63.200 -0.043 0.000 0.852 230 S HN 0.807 nan 8.310 nan 0.000 0.457 231 E N 0.874 121.013 120.200 -0.102 0.000 2.106 231 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 231 E C 2.075 178.645 176.600 -0.050 0.000 0.984 231 E CA 0.995 57.315 56.400 -0.133 0.000 0.806 231 E CB -0.126 29.354 29.700 -0.366 0.000 0.750 231 E HN 0.595 nan 8.360 nan 0.000 0.458 232 E N 0.482 120.661 120.200 -0.035 0.000 2.208 232 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 232 E C 2.040 178.673 176.600 0.055 0.000 0.988 232 E CA 0.282 56.714 56.400 0.052 0.000 0.828 232 E CB 0.043 29.774 29.700 0.052 0.000 0.763 232 E HN 0.088 nan 8.360 nan 0.000 0.478 233 L N 0.996 122.235 121.223 0.027 0.000 2.027 233 L HA -0.130 4.210 4.340 -0.000 0.000 0.206 233 L C 2.131 179.029 176.870 0.047 0.000 1.074 233 L CA 1.353 56.212 54.840 0.032 0.000 0.745 233 L CB -0.465 41.602 42.059 0.013 0.000 0.898 233 L HN 0.133 nan 8.230 nan 0.000 0.433 234 L N -0.051 121.194 121.223 0.036 0.000 2.046 234 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 234 L C 2.302 179.230 176.870 0.097 0.000 1.077 234 L CA 2.077 56.946 54.840 0.048 0.000 0.747 234 L CB -1.427 40.641 42.059 0.015 0.000 0.896 234 L HN 0.313 nan 8.230 nan 0.000 0.432 235 G N -0.848 108.015 108.800 0.106 0.000 2.432 235 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.219 235 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.219 235 G C 1.541 176.548 174.900 0.179 0.000 1.135 235 G CA 0.986 46.183 45.100 0.163 0.000 0.767 235 G HN 0.418 nan 8.290 nan 0.000 0.550 236 M N 1.404 121.081 119.600 0.129 0.000 2.132 236 M HA 0.274 4.754 4.480 -0.000 0.000 0.263 236 M C 2.678 179.042 176.300 0.107 0.000 1.065 236 M CA 1.582 56.947 55.300 0.108 0.000 1.122 236 M CB -0.376 32.276 32.600 0.086 0.000 1.365 236 M HN 0.195 nan 8.290 nan 0.000 0.411 237 A N -0.704 122.186 122.820 0.117 0.000 1.902 237 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 237 A C 2.315 179.994 177.584 0.158 0.000 1.181 237 A CA 2.087 54.198 52.037 0.124 0.000 0.623 237 A CB -1.460 17.613 19.000 0.121 0.000 0.818 237 A HN 0.790 nan 8.150 nan 0.000 0.443 238 H N -0.805 118.323 119.070 0.097 0.000 2.267 238 H HA -0.152 4.404 4.556 -0.000 0.000 0.297 238 H C 2.090 177.473 175.328 0.090 0.000 1.080 238 H CA 2.069 58.181 56.048 0.107 0.000 1.278 238 H CB -0.263 29.538 29.762 0.065 0.000 1.365 238 H HN 0.346 nan 8.280 nan 0.000 0.489 239 I N 1.306 121.775 120.570 -0.169 0.000 2.208 239 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 239 I C 2.568 178.603 176.117 -0.138 0.000 1.097 239 I CA 1.044 62.212 61.300 -0.220 0.000 1.363 239 I CB -0.470 37.514 38.000 -0.026 0.000 1.051 239 I HN 0.296 nan 8.210 nan 0.000 0.413 240 L N -0.880 120.312 121.223 -0.052 0.000 2.201 240 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 240 L C 2.392 179.231 176.870 -0.050 0.000 1.105 240 L CA 1.026 55.840 54.840 -0.044 0.000 0.775 240 L CB -0.537 41.547 42.059 0.042 0.000 0.913 240 L HN 0.296 nan 8.230 nan 0.000 0.440 241 L N -1.384 119.818 121.223 -0.035 0.000 2.102 241 L HA -0.100 4.240 4.340 -0.000 0.000 0.202 241 L C 2.380 179.252 176.870 0.003 0.000 1.076 241 L CA 0.557 55.376 54.840 -0.035 0.000 0.761 241 L CB -0.176 41.907 42.059 0.041 0.000 0.921 241 L HN -0.002 nan 8.230 nan 0.000 0.444 242 V N -0.181 119.717 119.914 -0.027 0.000 2.302 242 V HA -0.160 3.960 4.120 -0.000 0.000 0.243 242 V C 2.702 178.793 176.094 -0.005 0.000 1.036 242 V CA 1.529 63.839 62.300 0.017 0.000 1.020 242 V CB -0.895 30.828 31.823 -0.167 0.000 0.657 242 V HN 0.426 nan 8.190 nan 0.000 0.453 243 A N 0.537 123.304 122.820 -0.089 0.000 1.997 243 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 243 A C 2.190 179.759 177.584 -0.024 0.000 1.172 243 A CA 2.255 54.255 52.037 -0.060 0.000 0.645 243 A CB -0.917 18.031 19.000 -0.086 0.000 0.813 243 A HN 0.605 nan 8.150 nan 0.000 0.454 244 G N -3.241 105.546 108.800 -0.022 0.000 3.044 244 G HA2 0.153 4.113 3.960 -0.000 0.000 0.223 244 G HA3 0.153 4.113 3.960 -0.000 0.000 0.223 244 G C 1.141 176.078 174.900 0.062 0.000 1.123 244 G CA 0.671 45.769 45.100 -0.003 0.000 0.765 244 G HN 0.742 nan 8.290 nan 0.000 0.546 245 H N 0.266 119.308 119.070 -0.046 0.000 2.290 245 H HA -0.014 4.542 4.556 0.000 0.000 0.306 245 H C 2.435 177.754 175.328 -0.015 0.000 1.049 245 H CA 1.256 57.268 56.048 -0.059 0.000 1.288 245 H CB 0.322 30.066 29.762 -0.030 0.000 1.406 245 H HN 0.205 nan 8.280 nan 0.000 0.515 246 E N 0.002 120.157 120.200 -0.076 0.000 2.130 246 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 246 E C 2.271 178.864 176.600 -0.012 0.000 0.998 246 E CA 2.008 58.345 56.400 -0.106 0.000 0.806 246 E CB -0.397 29.294 29.700 -0.014 0.000 0.738 246 E HN 0.684 nan 8.360 nan 0.000 0.459 247 T N -3.083 111.482 114.554 0.018 0.000 2.668 247 T HA -0.139 4.211 4.350 -0.000 0.000 0.262 247 T C 2.060 176.777 174.700 0.029 0.000 1.045 247 T CA 1.900 64.016 62.100 0.026 0.000 1.152 247 T CB -1.063 67.826 68.868 0.035 0.000 0.864 247 T HN 0.043 nan 8.240 nan 0.000 0.419 248 T N 1.945 116.523 114.554 0.041 0.000 2.720 248 T HA -0.061 4.289 4.350 -0.000 0.000 0.268 248 T C 2.178 176.897 174.700 0.031 0.000 1.037 248 T CA 1.243 63.371 62.100 0.046 0.000 1.144 248 T CB -0.783 68.114 68.868 0.048 0.000 0.864 248 T HN 0.217 nan 8.240 nan 0.000 0.444 249 V N 2.723 122.646 119.914 0.015 0.000 2.282 249 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 249 V C 2.356 178.471 176.094 0.035 0.000 1.057 249 V CA 1.699 64.010 62.300 0.017 0.000 1.032 249 V CB -0.528 31.285 31.823 -0.018 0.000 0.645 249 V HN 0.522 nan 8.190 nan 0.000 0.447 250 N N -0.341 118.379 118.700 0.033 0.000 2.409 250 N HA -0.054 4.686 4.740 -0.000 0.000 0.179 250 N C 1.644 177.171 175.510 0.028 0.000 1.032 250 N CA 0.844 53.911 53.050 0.030 0.000 0.898 250 N CB -0.090 38.428 38.487 0.051 0.000 0.971 250 N HN 0.416 nan 8.380 nan 0.000 0.441 251 L N 1.351 122.589 121.223 0.025 0.000 2.027 251 L HA 0.026 4.366 4.340 -0.000 0.000 0.206 251 L C 1.931 178.823 176.870 0.036 0.000 1.074 251 L CA 1.273 56.125 54.840 0.019 0.000 0.745 251 L CB -0.519 41.546 42.059 0.010 0.000 0.898 251 L HN -0.006 nan 8.230 nan 0.000 0.433 252 I N -0.147 120.446 120.570 0.039 0.000 2.142 252 I HA -0.298 3.872 4.170 -0.000 0.000 0.240 252 I C 2.611 178.755 176.117 0.044 0.000 1.078 252 I CA 1.332 62.657 61.300 0.043 0.000 1.343 252 I CB -0.735 37.290 38.000 0.041 0.000 1.046 252 I HN 0.387 nan 8.210 nan 0.000 0.405 253 A N 0.928 123.766 122.820 0.031 0.000 1.873 253 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 253 A C 2.057 179.664 177.584 0.039 0.000 1.186 253 A CA 1.855 53.899 52.037 0.011 0.000 0.616 253 A CB -0.682 18.290 19.000 -0.047 0.000 0.823 253 A HN 0.389 nan 8.150 nan 0.000 0.442 254 N N 0.387 119.118 118.700 0.050 0.000 2.120 254 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 254 N C 1.810 177.412 175.510 0.153 0.000 1.024 254 N CA 1.558 54.697 53.050 0.149 0.000 0.852 254 N CB -0.887 37.690 38.487 0.151 0.000 1.003 254 N HN 0.466 nan 8.380 nan 0.000 0.424 255 G N 0.854 109.704 108.800 0.083 0.000 2.418 255 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 255 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 255 G C 1.447 176.370 174.900 0.039 0.000 1.158 255 G CA 0.621 45.754 45.100 0.054 0.000 0.771 255 G HN 0.129 nan 8.290 nan 0.000 0.545 256 M N -0.508 119.133 119.600 0.069 0.000 2.175 256 M HA 0.057 4.537 4.480 -0.000 0.000 0.264 256 M C 2.295 178.639 176.300 0.074 0.000 1.063 256 M CA 0.537 55.877 55.300 0.067 0.000 1.119 256 M CB -1.130 31.512 32.600 0.071 0.000 1.377 256 M HN 0.411 nan 8.290 nan 0.000 0.415 257 Y N 1.400 121.696 120.300 -0.008 0.000 2.128 257 Y HA -0.169 4.381 4.550 -0.001 0.000 0.284 257 Y C 2.335 178.240 175.900 0.009 0.000 1.154 257 Y CA 1.935 60.040 58.100 0.008 0.000 1.149 257 Y CB -0.621 37.852 38.460 0.021 0.000 0.976 257 Y HN 0.174 nan 8.280 nan 0.000 0.505 258 A N 0.228 122.897 122.820 -0.251 0.000 1.877 258 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 258 A C 2.232 179.525 177.584 -0.485 0.000 1.186 258 A CA 1.843 53.549 52.037 -0.551 0.000 0.620 258 A CB -1.300 17.182 19.000 -0.863 0.000 0.822 258 A HN 0.520 nan 8.150 nan 0.000 0.443 259 L N -0.255 120.820 121.223 -0.247 0.000 2.017 259 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 259 L C 2.305 179.204 176.870 0.048 0.000 1.073 259 L CA 1.645 56.518 54.840 0.055 0.000 0.745 259 L CB -0.454 41.672 42.059 0.113 0.000 0.894 259 L HN 0.415 nan 8.230 nan 0.000 0.432 260 L N -1.049 120.167 121.223 -0.012 0.000 2.291 260 L HA -0.092 4.248 4.340 -0.000 0.000 0.214 260 L C 2.158 178.990 176.870 -0.063 0.000 1.120 260 L CA 1.086 55.923 54.840 -0.005 0.000 0.799 260 L CB -0.580 41.496 42.059 0.028 0.000 0.925 260 L HN 0.442 nan 8.230 nan 0.000 0.446 261 S N -2.645 112.948 115.700 -0.178 0.000 2.575 261 S HA 0.003 4.473 4.470 -0.000 0.000 0.215 261 S C 0.319 174.687 174.600 -0.386 0.000 0.966 261 S CA -0.197 57.823 58.200 -0.300 0.000 0.911 261 S CB -0.244 62.616 63.200 -0.567 0.000 0.780 261 S HN 0.426 nan 8.310 nan 0.000 0.514 262 H N 1.154 120.166 119.070 -0.098 0.000 2.448 262 H HA 0.390 4.946 4.556 0.000 0.000 0.237 262 H C -2.403 172.937 175.328 0.021 0.000 1.391 262 H CA -1.645 54.396 56.048 -0.012 0.000 1.477 262 H CB 0.964 30.771 29.762 0.076 0.000 1.520 262 H HN 0.136 nan 8.280 nan 0.000 0.502 263 P HA -0.260 nan 4.420 nan 0.000 0.217 263 P C 1.365 178.700 177.300 0.058 0.000 1.148 263 P CA 1.582 64.713 63.100 0.051 0.000 0.834 263 P CB 0.428 32.141 31.700 0.021 0.000 0.783 264 D N -0.879 119.560 120.400 0.064 0.000 2.117 264 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 264 D C 1.655 177.973 176.300 0.031 0.000 0.987 264 D CA 1.239 55.264 54.000 0.041 0.000 0.829 264 D CB -0.891 39.931 40.800 0.037 0.000 0.961 264 D HN 0.154 nan 8.370 nan 0.000 0.460 265 Q N 0.004 119.840 119.800 0.061 0.000 2.123 265 Q HA 0.011 4.351 4.340 -0.000 0.000 0.199 265 Q C 2.432 178.456 176.000 0.040 0.000 0.966 265 Q CA 0.273 56.082 55.803 0.010 0.000 0.845 265 Q CB -0.565 28.175 28.738 0.002 0.000 0.907 265 Q HN 0.326 nan 8.270 nan 0.000 0.439 266 L N 0.881 122.154 121.223 0.084 0.000 2.017 266 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 266 L C 2.110 179.002 176.870 0.037 0.000 1.073 266 L CA 2.141 57.022 54.840 0.068 0.000 0.745 266 L CB -0.924 41.178 42.059 0.071 0.000 0.894 266 L HN 0.122 nan 8.230 nan 0.000 0.432 267 A N -0.417 122.421 122.820 0.031 0.000 1.908 267 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 267 A C 2.463 180.050 177.584 0.006 0.000 1.181 267 A CA 1.994 54.042 52.037 0.018 0.000 0.627 267 A CB -1.241 17.768 19.000 0.016 0.000 0.818 267 A HN 0.605 nan 8.150 nan 0.000 0.445 268 A N -0.593 122.224 122.820 -0.005 0.000 1.877 268 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 268 A C 2.124 179.697 177.584 -0.019 0.000 1.186 268 A CA 1.795 53.820 52.037 -0.020 0.000 0.620 268 A CB -0.640 18.334 19.000 -0.045 0.000 0.822 268 A HN 0.702 nan 8.150 nan 0.000 0.443 269 L N -0.374 120.841 121.223 -0.014 0.000 2.141 269 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 269 L C 2.377 179.248 176.870 0.002 0.000 1.094 269 L CA 1.576 56.411 54.840 -0.008 0.000 0.763 269 L CB -0.573 41.489 42.059 0.004 0.000 0.908 269 L HN 0.251 nan 8.230 nan 0.000 0.437 270 R N -0.233 120.272 120.500 0.008 0.000 2.081 270 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 270 R C 2.133 178.436 176.300 0.005 0.000 1.131 270 R CA 1.353 57.459 56.100 0.010 0.000 0.960 270 R CB -1.011 29.298 30.300 0.015 0.000 0.856 270 R HN 0.497 nan 8.270 nan 0.000 0.436 271 A N 0.458 123.279 122.820 0.001 0.000 2.015 271 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 271 A C 0.444 178.026 177.584 -0.004 0.000 1.163 271 A CA 1.057 53.094 52.037 -0.001 0.000 0.646 271 A CB 0.109 19.107 19.000 -0.004 0.000 0.806 271 A HN 0.178 nan 8.150 nan 0.000 0.448 272 D N -1.276 119.120 120.400 -0.006 0.000 2.328 272 D HA 0.271 4.911 4.640 -0.000 0.000 0.243 272 D C 0.554 176.850 176.300 -0.006 0.000 1.324 272 D CA -0.415 53.581 54.000 -0.007 0.000 0.966 272 D CB 0.374 41.167 40.800 -0.011 0.000 1.324 272 D HN -0.039 nan 8.370 nan 0.000 0.549 273 M N 1.029 120.628 119.600 -0.001 0.000 2.632 273 M HA -0.056 4.424 4.480 -0.000 0.000 0.256 273 M C 1.838 178.139 176.300 0.001 0.000 1.080 273 M CA 0.850 56.151 55.300 0.001 0.000 1.084 273 M CB -1.291 31.311 32.600 0.004 0.000 1.439 273 M HN 0.465 nan 8.290 nan 0.000 0.509 274 T N -2.769 111.785 114.554 -0.001 0.000 3.163 274 T HA 0.033 4.383 4.350 -0.000 0.000 0.260 274 T C 1.520 176.218 174.700 -0.002 0.000 1.156 274 T CA 0.453 62.554 62.100 0.000 0.000 1.072 274 T CB -0.378 68.490 68.868 -0.001 0.000 0.937 274 T HN 0.405 nan 8.240 nan 0.000 0.528 275 L N -0.086 121.132 121.223 -0.009 0.000 2.592 275 L HA 0.330 4.670 4.340 -0.000 0.000 0.227 275 L C 2.070 178.932 176.870 -0.013 0.000 1.127 275 L CA -0.168 54.661 54.840 -0.018 0.000 0.884 275 L CB -0.347 41.692 42.059 -0.034 0.000 1.065 275 L HN 0.225 nan 8.230 nan 0.000 0.457 276 L N 0.479 121.702 121.223 0.001 0.000 1.990 276 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 276 L C 1.979 178.862 176.870 0.022 0.000 1.072 276 L CA 2.060 56.908 54.840 0.012 0.000 0.755 276 L CB -0.410 41.660 42.059 0.019 0.000 0.889 276 L HN 0.217 nan 8.230 nan 0.000 0.432 277 D N -0.400 120.016 120.400 0.027 0.000 2.123 277 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 277 D C 2.115 178.440 176.300 0.041 0.000 0.992 277 D CA 1.497 55.523 54.000 0.044 0.000 0.833 277 D CB -0.696 40.133 40.800 0.047 0.000 0.954 277 D HN 0.542 nan 8.370 nan 0.000 0.455 278 G N 0.515 109.325 108.800 0.016 0.000 2.408 278 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.217 278 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.217 278 G C 1.701 176.581 174.900 -0.034 0.000 1.150 278 G CA 1.091 46.190 45.100 -0.002 0.000 0.776 278 G HN 0.402 nan 8.290 nan 0.000 0.542 279 A N 0.201 122.998 122.820 -0.040 0.000 1.902 279 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 279 A C 2.567 180.163 177.584 0.020 0.000 1.181 279 A CA 1.748 53.753 52.037 -0.054 0.000 0.623 279 A CB -0.575 18.412 19.000 -0.022 0.000 0.818 279 A HN 0.245 nan 8.150 nan 0.000 0.443 280 V N 0.288 120.227 119.914 0.042 0.000 2.515 280 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 280 V C 2.486 178.600 176.094 0.033 0.000 1.058 280 V CA 1.953 64.290 62.300 0.061 0.000 1.064 280 V CB -0.649 31.220 31.823 0.077 0.000 0.675 280 V HN 0.500 nan 8.190 nan 0.000 0.461 281 E N 0.112 120.332 120.200 0.033 0.000 2.106 281 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 281 E C 2.200 178.729 176.600 -0.118 0.000 0.984 281 E CA 1.294 57.697 56.400 0.004 0.000 0.806 281 E CB -0.123 29.640 29.700 0.106 0.000 0.750 281 E HN 0.690 nan 8.360 nan 0.000 0.458 282 E N 0.461 120.618 120.200 -0.072 0.000 2.208 282 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 282 E C 1.961 178.613 176.600 0.085 0.000 0.988 282 E CA 0.676 57.024 56.400 -0.086 0.000 0.828 282 E CB -0.095 29.467 29.700 -0.230 0.000 0.763 282 E HN 0.173 nan 8.360 nan 0.000 0.478 283 M N -0.362 119.322 119.600 0.139 0.000 2.175 283 M HA -0.083 4.397 4.480 -0.000 0.000 0.264 283 M C 1.996 178.288 176.300 -0.014 0.000 1.063 283 M CA 1.143 56.550 55.300 0.178 0.000 1.119 283 M CB -0.159 32.519 32.600 0.130 0.000 1.377 283 M HN 0.168 nan 8.290 nan 0.000 0.415 284 L N -0.792 120.327 121.223 -0.173 0.000 2.093 284 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 284 L C 2.815 179.394 176.870 -0.485 0.000 1.085 284 L CA 0.939 55.560 54.840 -0.365 0.000 0.755 284 L CB -0.626 41.081 42.059 -0.587 0.000 0.904 284 L HN 0.273 nan 8.230 nan 0.000 0.435 285 R N -0.471 119.691 120.500 -0.563 0.000 2.062 285 R HA -0.198 4.142 4.340 -0.000 0.000 0.229 285 R C 2.326 178.413 176.300 -0.355 0.000 1.128 285 R CA 1.745 57.404 56.100 -0.735 0.000 0.960 285 R CB -0.628 29.302 30.300 -0.617 0.000 0.855 285 R HN 0.268 nan 8.270 nan 0.000 0.432 286 Y N 0.991 121.137 120.300 -0.256 0.000 2.184 286 Y HA -0.030 4.520 4.550 -0.000 0.000 0.290 286 Y C 0.553 176.372 175.900 -0.135 0.000 1.129 286 Y CA 1.381 59.380 58.100 -0.168 0.000 1.144 286 Y CB 0.457 38.917 38.460 -0.000 0.000 0.995 286 Y HN 0.012 nan 8.280 nan 0.000 0.513 287 E N 0.398 120.519 120.200 -0.133 0.000 4.017 287 E HA 0.230 4.580 4.350 -0.000 0.000 0.205 287 E C -0.080 176.505 176.600 -0.025 0.000 1.054 287 E CA 0.055 56.380 56.400 -0.126 0.000 1.398 287 E CB 0.210 29.862 29.700 -0.079 0.000 1.164 287 E HN 0.381 nan 8.360 nan 0.000 0.445 288 G N 2.586 111.358 108.800 -0.047 0.000 2.484 288 G HA2 0.050 4.010 3.960 -0.000 0.000 0.235 288 G HA3 0.050 4.010 3.960 -0.000 0.000 0.235 288 G C -1.013 173.880 174.900 -0.012 0.000 1.282 288 G CA -0.625 44.436 45.100 -0.064 0.000 0.857 288 G HN 0.019 nan 8.290 nan 0.000 0.571 289 P HA -0.059 nan 4.420 nan 0.000 0.221 289 P C 0.520 177.832 177.300 0.021 0.000 1.150 289 P CA 0.505 63.615 63.100 0.017 0.000 0.800 289 P CB 0.236 31.943 31.700 0.011 0.000 0.787 290 V N 2.121 122.034 119.914 -0.002 0.000 2.339 290 V HA 0.114 4.234 4.120 -0.000 0.000 0.261 290 V C 1.915 178.008 176.094 -0.002 0.000 1.058 290 V CA 0.083 62.385 62.300 0.004 0.000 0.897 290 V CB 0.323 32.142 31.823 -0.006 0.000 1.052 290 V HN 0.058 nan 8.190 nan 0.000 0.480 291 E N 3.022 123.222 120.200 0.001 0.000 2.046 291 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 291 E C 0.456 177.014 176.600 -0.071 0.000 0.982 291 E CA 0.789 57.172 56.400 -0.028 0.000 0.800 291 E CB 0.353 30.049 29.700 -0.007 0.000 0.756 291 E HN 0.673 nan 8.360 nan 0.000 0.449 292 S N -0.455 115.225 115.700 -0.033 0.000 2.538 292 S HA 0.614 5.084 4.470 -0.000 0.000 0.288 292 S C -0.648 173.941 174.600 -0.018 0.000 1.108 292 S CA -0.633 57.536 58.200 -0.052 0.000 0.971 292 S CB 1.864 65.054 63.200 -0.017 0.000 1.041 292 S HN 0.410 nan 8.310 nan 0.000 0.483 293 A N 2.100 124.894 122.820 -0.043 0.000 2.346 293 A HA 0.588 4.908 4.320 -0.000 0.000 0.255 293 A C 0.912 178.498 177.584 0.003 0.000 1.113 293 A CA -0.177 51.841 52.037 -0.031 0.000 0.798 293 A CB -0.447 18.515 19.000 -0.064 0.000 1.073 293 A HN 0.885 nan 8.150 nan 0.000 0.502 294 T N -2.015 112.533 114.554 -0.010 0.000 2.813 294 T HA 0.375 4.725 4.350 -0.000 0.000 0.297 294 T C -0.155 174.561 174.700 0.028 0.000 1.036 294 T CA -0.265 61.852 62.100 0.028 0.000 1.044 294 T CB -0.036 68.817 68.868 -0.025 0.000 0.993 294 T HN 0.306 nan 8.240 nan 0.000 0.535 295 Y N 1.530 121.695 120.300 -0.226 0.000 2.881 295 Y HA 0.163 4.713 4.550 -0.000 0.000 0.335 295 Y C 1.366 176.753 175.900 -0.855 0.000 1.263 295 Y CA -0.026 57.775 58.100 -0.497 0.000 1.572 295 Y CB -0.245 37.894 38.460 -0.535 0.000 1.237 295 Y HN 0.523 nan 8.280 nan 0.000 0.568 296 R N 3.464 123.520 120.500 -0.740 0.000 2.670 296 R HA 0.605 4.945 4.340 -0.000 0.000 0.289 296 R C -1.660 174.195 176.300 -0.741 0.000 0.965 296 R CA -0.863 54.838 56.100 -0.666 0.000 0.899 296 R CB 1.567 31.730 30.300 -0.230 0.000 1.173 296 R HN 0.441 nan 8.270 nan 0.000 0.456 297 F N 2.822 122.736 119.950 -0.060 0.000 2.499 297 F HA 0.363 4.890 4.527 -0.000 0.000 0.333 297 F C -1.994 173.712 175.800 -0.156 0.000 1.138 297 F CA -2.578 55.353 58.000 -0.116 0.000 0.945 297 F CB 1.816 40.706 39.000 -0.184 0.000 1.181 297 F HN 0.233 nan 8.300 nan 0.000 0.435 298 P HA -0.006 nan 4.420 nan 0.000 0.267 298 P C 0.778 177.948 177.300 -0.216 0.000 1.205 298 P CA 0.001 62.846 63.100 -0.426 0.000 0.765 298 P CB 1.737 33.083 31.700 -0.590 0.000 0.828 299 V N -0.597 119.195 119.914 -0.203 0.000 3.041 299 V HA 0.129 4.249 4.120 -0.000 0.000 0.260 299 V C 0.753 176.770 176.094 -0.129 0.000 1.105 299 V CA 1.547 63.776 62.300 -0.117 0.000 1.125 299 V CB -1.558 30.216 31.823 -0.082 0.000 0.730 299 V HN 0.626 nan 8.190 nan 0.000 0.479 300 E N -0.169 119.920 120.200 -0.185 0.000 2.429 300 E HA 0.731 5.081 4.350 -0.000 0.000 0.276 300 E C -3.329 173.147 176.600 -0.207 0.000 0.953 300 E CA -2.379 53.926 56.400 -0.158 0.000 0.787 300 E CB 0.791 30.413 29.700 -0.132 0.000 1.307 300 E HN 0.253 nan 8.360 nan 0.000 0.458 301 P HA 0.299 nan 4.420 nan 0.000 0.264 301 P C -0.793 176.383 177.300 -0.208 0.000 1.193 301 P CA -0.099 62.892 63.100 -0.182 0.000 0.763 301 P CB 0.848 32.472 31.700 -0.126 0.000 0.810 302 V N 3.573 123.333 119.914 -0.257 0.000 2.604 302 V HA 0.307 4.427 4.120 -0.000 0.000 0.305 302 V C -0.148 175.850 176.094 -0.160 0.000 1.043 302 V CA -0.440 61.727 62.300 -0.221 0.000 0.888 302 V CB 2.174 33.799 31.823 -0.330 0.000 0.995 302 V HN 0.474 nan 8.190 nan 0.000 0.429 303 D N 4.583 124.924 120.400 -0.097 0.000 2.349 303 D HA 0.409 5.049 4.640 -0.000 0.000 0.232 303 D C -0.938 175.337 176.300 -0.042 0.000 1.071 303 D CA -0.221 53.732 54.000 -0.077 0.000 0.832 303 D CB 1.403 42.169 40.800 -0.058 0.000 1.086 303 D HN 0.405 nan 8.370 nan 0.000 0.504 304 L N 3.902 125.095 121.223 -0.050 0.000 2.301 304 L HA 0.200 4.540 4.340 -0.000 0.000 0.278 304 L C 0.210 177.064 176.870 -0.027 0.000 1.022 304 L CA -0.691 54.134 54.840 -0.025 0.000 0.854 304 L CB 1.003 43.047 42.059 -0.025 0.000 1.226 304 L HN 0.473 nan 8.230 nan 0.000 0.429 305 D N 3.186 123.579 120.400 -0.013 0.000 2.689 305 D HA -0.194 4.446 4.640 -0.000 0.000 0.237 305 D C 1.135 177.429 176.300 -0.010 0.000 1.148 305 D CA 1.451 55.447 54.000 -0.005 0.000 0.656 305 D CB -0.529 40.273 40.800 0.003 0.000 1.050 305 D HN 1.024 nan 8.370 nan 0.000 0.426 306 G N -1.274 107.517 108.800 -0.016 0.000 2.299 306 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.237 306 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.237 306 G C 0.562 175.449 174.900 -0.022 0.000 1.027 306 G CA 0.341 45.433 45.100 -0.014 0.000 0.619 306 G HN 0.746 nan 8.290 nan 0.000 0.513 307 T N 1.852 116.385 114.554 -0.035 0.000 2.749 307 T HA 0.523 4.873 4.350 -0.000 0.000 0.295 307 T C 0.243 174.871 174.700 -0.120 0.000 0.936 307 T CA -0.106 61.967 62.100 -0.047 0.000 1.060 307 T CB 2.179 71.026 68.868 -0.035 0.000 0.904 307 T HN 0.456 nan 8.240 nan 0.000 0.500 308 V N 5.863 125.697 119.914 -0.132 0.000 2.383 308 V HA 0.358 4.478 4.120 -0.000 0.000 0.275 308 V C 0.307 176.161 176.094 -0.400 0.000 1.036 308 V CA -0.695 61.483 62.300 -0.202 0.000 0.889 308 V CB 0.853 32.604 31.823 -0.119 0.000 0.985 308 V HN 0.788 nan 8.190 nan 0.000 0.459 309 I N 8.463 128.711 120.570 -0.537 0.000 2.304 309 I HA 0.307 4.477 4.170 -0.000 0.000 0.291 309 I C -1.924 173.917 176.117 -0.460 0.000 1.018 309 I CA -1.893 58.892 61.300 -0.858 0.000 1.260 309 I CB 1.795 39.269 38.000 -0.878 0.000 1.390 309 I HN 0.423 nan 8.210 nan 0.000 0.475 310 P HA 0.059 nan 4.420 nan 0.000 0.269 310 P C -0.335 176.879 177.300 -0.144 0.000 1.209 310 P CA -0.286 62.727 63.100 -0.144 0.000 0.776 310 P CB 0.800 32.488 31.700 -0.021 0.000 0.876 311 A N 2.269 125.014 122.820 -0.125 0.000 2.520 311 A HA 0.395 4.715 4.320 -0.000 0.000 0.235 311 A C 1.588 179.134 177.584 -0.063 0.000 1.065 311 A CA 0.838 52.805 52.037 -0.117 0.000 0.764 311 A CB -1.389 17.549 19.000 -0.103 0.000 1.002 311 A HN 0.895 nan 8.150 nan 0.000 0.502 312 G N 1.478 110.251 108.800 -0.046 0.000 2.267 312 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.257 312 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.257 312 G C 0.082 175.008 174.900 0.044 0.000 0.998 312 G CA 0.609 45.689 45.100 -0.033 0.000 0.620 312 G HN 0.893 nan 8.290 nan 0.000 0.529 313 D N 1.059 121.505 120.400 0.078 0.000 2.357 313 D HA 0.515 5.155 4.640 -0.000 0.000 0.242 313 D C 0.692 177.134 176.300 0.236 0.000 1.153 313 D CA 0.615 54.720 54.000 0.175 0.000 0.918 313 D CB 0.684 41.618 40.800 0.224 0.000 1.181 313 D HN 0.076 nan 8.370 nan 0.000 0.435 314 T N 0.976 115.662 114.554 0.220 0.000 2.780 314 T HA 0.406 4.756 4.350 -0.000 0.000 0.294 314 T C -0.281 174.404 174.700 -0.026 0.000 0.949 314 T CA -0.514 61.589 62.100 0.006 0.000 1.074 314 T CB 0.602 69.325 68.868 -0.241 0.000 0.910 314 T HN -0.024 nan 8.240 nan 0.000 0.501 315 V N 5.483 125.301 119.914 -0.160 0.000 2.487 315 V HA 0.460 4.580 4.120 -0.000 0.000 0.298 315 V C -0.284 175.711 176.094 -0.165 0.000 1.028 315 V CA -0.866 61.402 62.300 -0.053 0.000 0.860 315 V CB 1.626 33.471 31.823 0.038 0.000 0.991 315 V HN 0.730 nan 8.190 nan 0.000 0.427 316 L N 5.071 126.237 121.223 -0.095 0.000 2.298 316 L HA 0.535 4.875 4.340 -0.000 0.000 0.284 316 L C -0.467 176.345 176.870 -0.097 0.000 1.013 316 L CA -0.780 54.005 54.840 -0.091 0.000 0.824 316 L CB 1.946 43.979 42.059 -0.043 0.000 1.221 316 L HN 0.373 nan 8.230 nan 0.000 0.418 317 V N 4.564 124.398 119.914 -0.133 0.000 2.455 317 V HA 0.078 4.198 4.120 -0.000 0.000 0.273 317 V C 0.467 176.460 176.094 -0.169 0.000 1.045 317 V CA -0.463 61.739 62.300 -0.163 0.000 0.976 317 V CB 1.523 33.233 31.823 -0.188 0.000 0.993 317 V HN 0.428 nan 8.190 nan 0.000 0.475 318 V N 7.496 127.281 119.914 -0.215 0.000 2.276 318 V HA 0.111 4.231 4.120 -0.000 0.000 0.249 318 V C 1.389 177.305 176.094 -0.296 0.000 1.160 318 V CA -0.013 62.096 62.300 -0.319 0.000 1.042 318 V CB -0.101 31.378 31.823 -0.574 0.000 1.224 318 V HN 0.775 nan 8.190 nan 0.000 0.496 319 L N 2.920 123.992 121.223 -0.251 0.000 2.127 319 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 319 L C 2.678 179.318 176.870 -0.383 0.000 1.089 319 L CA 1.750 56.390 54.840 -0.334 0.000 0.757 319 L CB -0.658 41.273 42.059 -0.214 0.000 0.899 319 L HN 0.666 nan 8.230 nan 0.000 0.434 320 A N 0.265 122.971 122.820 -0.190 0.000 1.940 320 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 320 A C 2.002 179.644 177.584 0.096 0.000 1.176 320 A CA 2.315 54.360 52.037 0.013 0.000 0.631 320 A CB -0.623 18.365 19.000 -0.020 0.000 0.814 320 A HN 0.483 nan 8.150 nan 0.000 0.446 321 D N -0.862 119.494 120.400 -0.073 0.000 2.162 321 D HA 0.110 4.750 4.640 -0.000 0.000 0.203 321 D C 2.018 178.370 176.300 0.087 0.000 0.967 321 D CA 1.186 55.219 54.000 0.055 0.000 0.840 321 D CB -0.171 40.595 40.800 -0.055 0.000 0.972 321 D HN 0.317 nan 8.370 nan 0.000 0.482 322 A N -0.349 122.460 122.820 -0.017 0.000 1.940 322 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 322 A C 1.771 179.572 177.584 0.362 0.000 1.176 322 A CA 1.634 53.745 52.037 0.124 0.000 0.631 322 A CB -1.107 17.846 19.000 -0.078 0.000 0.814 322 A HN 0.516 nan 8.150 nan 0.000 0.446 323 H N -1.768 117.415 119.070 0.188 0.000 2.555 323 H HA 0.098 4.654 4.556 -0.000 0.000 0.269 323 H C 1.036 176.329 175.328 -0.059 0.000 0.988 323 H CA 0.150 56.140 56.048 -0.096 0.000 1.178 323 H CB 0.334 29.958 29.762 -0.231 0.000 1.373 323 H HN 0.176 nan 8.280 nan 0.000 0.588 324 R N 0.432 121.067 120.500 0.225 0.000 2.546 324 R HA 0.137 4.477 4.340 -0.000 0.000 0.320 324 R C -0.172 176.271 176.300 0.238 0.000 1.021 324 R CA -0.024 56.186 56.100 0.185 0.000 1.088 324 R CB 0.023 30.415 30.300 0.154 0.000 1.278 324 R HN 0.032 nan 8.270 nan 0.000 0.557 325 T N 2.991 117.737 114.554 0.320 0.000 2.727 325 T HA 0.144 4.494 4.350 -0.000 0.000 0.295 325 T C -1.704 173.116 174.700 0.200 0.000 0.915 325 T CA -1.289 60.960 62.100 0.249 0.000 1.066 325 T CB 1.618 70.648 68.868 0.269 0.000 0.891 325 T HN -0.064 nan 8.240 nan 0.000 0.516 326 P HA -0.169 nan 4.420 nan 0.000 0.216 326 P C 1.343 178.658 177.300 0.026 0.000 1.157 326 P CA 1.085 64.240 63.100 0.090 0.000 0.880 326 P CB 0.228 31.972 31.700 0.073 0.000 0.791 327 E N -1.217 118.985 120.200 0.004 0.000 2.171 327 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 327 E C 2.083 178.582 176.600 -0.168 0.000 0.997 327 E CA 1.172 57.539 56.400 -0.054 0.000 0.810 327 E CB -0.386 29.296 29.700 -0.029 0.000 0.738 327 E HN 0.160 nan 8.360 nan 0.000 0.467 328 R N -1.018 119.318 120.500 -0.273 0.000 2.123 328 R HA 0.169 4.509 4.340 -0.000 0.000 0.209 328 R C 0.034 175.824 176.300 -0.850 0.000 1.078 328 R CA 0.439 56.120 56.100 -0.699 0.000 1.028 328 R CB 0.261 29.857 30.300 -1.174 0.000 0.939 328 R HN 0.169 nan 8.270 nan 0.000 0.463 329 F N 1.877 121.774 119.950 -0.088 0.000 2.443 329 F HA 0.399 4.926 4.527 0.000 0.000 0.369 329 F C -2.199 173.591 175.800 -0.018 0.000 1.090 329 F CA -2.716 55.257 58.000 -0.045 0.000 1.129 329 F CB 1.321 40.317 39.000 -0.007 0.000 1.367 329 F HN -0.240 nan 8.300 nan 0.000 0.465 330 P HA -0.093 nan 4.420 nan 0.000 0.263 330 P C 0.071 177.418 177.300 0.078 0.000 1.175 330 P CA 0.704 63.836 63.100 0.053 0.000 0.761 330 P CB 0.415 32.123 31.700 0.013 0.000 0.794 331 D N 3.377 123.821 120.400 0.073 0.000 2.803 331 D HA -0.145 4.495 4.640 -0.000 0.000 0.233 331 D C -1.495 174.871 176.300 0.110 0.000 1.182 331 D CA 0.135 54.184 54.000 0.081 0.000 0.726 331 D CB -0.712 40.120 40.800 0.054 0.000 0.987 331 D HN 0.227 nan 8.370 nan 0.000 0.412 332 P HA -0.162 nan 4.420 nan 0.000 0.218 332 P C 1.287 178.669 177.300 0.138 0.000 1.148 332 P CA 0.946 64.132 63.100 0.144 0.000 0.822 332 P CB -0.064 31.731 31.700 0.158 0.000 0.784 333 H N -0.456 118.654 119.070 0.068 0.000 2.546 333 H HA 0.062 4.618 4.556 -0.000 0.000 0.277 333 H C 0.675 176.085 175.328 0.136 0.000 1.004 333 H CA 0.400 56.504 56.048 0.094 0.000 1.231 333 H CB 0.152 29.953 29.762 0.065 0.000 1.382 333 H HN 0.018 nan 8.280 nan 0.000 0.580 334 R N 0.610 121.185 120.500 0.124 0.000 2.254 334 R HA 0.062 4.402 4.340 -0.000 0.000 0.318 334 R C -1.179 174.977 176.300 -0.240 0.000 1.031 334 R CA -0.591 55.504 56.100 -0.007 0.000 0.905 334 R CB 0.178 30.492 30.300 0.024 0.000 1.050 334 R HN -0.010 nan 8.270 nan 0.000 0.456 335 F N 5.134 124.627 119.950 -0.761 0.000 2.404 335 F HA 0.204 4.731 4.527 0.000 0.000 0.359 335 F C -0.742 174.725 175.800 -0.555 0.000 1.134 335 F CA -0.742 56.611 58.000 -1.078 0.000 1.160 335 F CB 0.640 38.533 39.000 -1.846 0.000 1.186 335 F HN 0.469 nan 8.300 nan 0.000 0.526 336 D N 7.153 127.132 120.400 -0.701 0.000 2.440 336 D HA 0.118 4.758 4.640 -0.000 0.000 0.252 336 D C 1.173 177.124 176.300 -0.582 0.000 1.180 336 D CA -0.405 53.279 54.000 -0.528 0.000 0.894 336 D CB 0.535 41.176 40.800 -0.266 0.000 1.111 336 D HN 0.641 nan 8.370 nan 0.000 0.544 337 I N 1.571 121.727 120.570 -0.690 0.000 2.800 337 I HA -0.157 4.013 4.170 -0.000 0.000 0.266 337 I C 1.430 177.392 176.117 -0.258 0.000 1.249 337 I CA 0.851 61.852 61.300 -0.498 0.000 1.458 337 I CB -0.017 37.741 38.000 -0.403 0.000 1.093 337 I HN 0.107 nan 8.210 nan 0.000 0.466 338 R N 1.752 122.126 120.500 -0.209 0.000 2.362 338 R HA 0.238 4.578 4.340 -0.000 0.000 0.227 338 R C 1.108 177.352 176.300 -0.093 0.000 0.905 338 R CA -0.452 55.575 56.100 -0.122 0.000 1.067 338 R CB -0.521 29.720 30.300 -0.098 0.000 1.078 338 R HN 0.376 nan 8.270 nan 0.000 0.516 339 R N 1.397 121.829 120.500 -0.114 0.000 2.784 339 R HA -0.032 4.308 4.340 -0.000 0.000 0.266 339 R C -0.790 175.505 176.300 -0.009 0.000 1.044 339 R CA 0.032 56.096 56.100 -0.060 0.000 1.151 339 R CB 0.322 30.581 30.300 -0.068 0.000 1.037 339 R HN 0.147 nan 8.270 nan 0.000 0.478 340 D N 1.547 121.961 120.400 0.024 0.000 2.339 340 D HA -0.002 4.638 4.640 -0.000 0.000 0.256 340 D C 0.408 176.789 176.300 0.134 0.000 1.214 340 D CA 0.101 54.131 54.000 0.049 0.000 0.877 340 D CB 1.210 42.021 40.800 0.018 0.000 1.111 340 D HN 0.615 nan 8.370 nan 0.000 0.478 341 T N 0.697 115.345 114.554 0.157 0.000 3.054 341 T HA 0.392 4.742 4.350 -0.000 0.000 0.255 341 T C 0.875 175.776 174.700 0.336 0.000 1.035 341 T CA -0.125 62.145 62.100 0.283 0.000 0.941 341 T CB 0.097 69.095 68.868 0.217 0.000 1.026 341 T HN 0.411 nan 8.240 nan 0.000 0.533 342 A N 0.871 123.801 122.820 0.183 0.000 2.566 342 A HA 0.484 4.804 4.320 -0.000 0.000 0.245 342 A C 1.725 179.385 177.584 0.126 0.000 1.056 342 A CA 0.515 52.620 52.037 0.113 0.000 0.757 342 A CB -1.151 17.877 19.000 0.046 0.000 0.979 342 A HN 1.579 nan 8.150 nan 0.000 0.508 343 G N 1.609 110.469 108.800 0.101 0.000 2.175 343 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 343 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 343 G C 0.307 175.448 174.900 0.402 0.000 0.982 343 G CA 0.451 45.653 45.100 0.170 0.000 0.641 343 G HN 1.911 nan 8.290 nan 0.000 0.527 344 H N -0.132 119.210 119.070 0.454 0.000 2.822 344 H HA 0.402 4.958 4.556 0.000 0.000 0.373 344 H C 0.884 176.517 175.328 0.509 0.000 1.223 344 H CA 0.366 56.723 56.048 0.516 0.000 1.436 344 H CB 0.676 30.470 29.762 0.052 0.000 1.439 344 H HN 0.199 nan 8.280 nan 0.000 0.618 345 L N 1.619 123.408 121.223 0.944 0.000 2.910 345 L HA 0.231 4.571 4.340 -0.000 0.000 0.252 345 L C 2.261 179.419 176.870 0.481 0.000 1.195 345 L CA 0.182 55.341 54.840 0.531 0.000 1.003 345 L CB 0.158 42.338 42.059 0.201 0.000 1.328 345 L HN 0.760 nan 8.230 nan 0.000 0.540 346 A N 0.370 123.559 122.820 0.615 0.000 2.024 346 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 346 A C 1.702 179.245 177.584 -0.068 0.000 1.164 346 A CA 1.628 53.755 52.037 0.151 0.000 0.643 346 A CB -0.504 18.325 19.000 -0.286 0.000 0.806 346 A HN 0.472 nan 8.150 nan 0.000 0.451 347 F N -1.012 119.041 119.950 0.170 0.000 2.639 347 F HA 0.416 4.943 4.527 0.000 0.000 0.302 347 F C 1.479 177.120 175.800 -0.264 0.000 1.097 347 F CA 0.350 58.244 58.000 -0.176 0.000 1.294 347 F CB 0.375 39.104 39.000 -0.451 0.000 1.027 347 F HN 0.501 nan 8.300 nan 0.000 0.550 348 G N 0.639 109.556 108.800 0.194 0.000 2.627 348 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.214 348 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.214 348 G C -1.490 173.706 174.900 0.492 0.000 1.331 348 G CA -0.537 44.698 45.100 0.226 0.000 0.891 348 G HN 0.539 nan 8.290 nan 0.000 0.539 349 H N -0.843 118.409 119.070 0.303 0.000 3.140 349 H HA 0.684 5.240 4.556 0.000 0.000 0.336 349 H C 0.380 175.812 175.328 0.172 0.000 1.142 349 H CA 1.875 58.089 56.048 0.277 0.000 1.308 349 H CB 1.102 30.944 29.762 0.134 0.000 1.970 349 H HN 2.718 nan 8.280 nan 0.000 0.521 350 G N 2.492 111.029 108.800 -0.439 0.000 2.428 350 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.202 350 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.202 350 G C 1.184 176.016 174.900 -0.113 0.000 1.247 350 G CA -0.031 44.852 45.100 -0.362 0.000 1.020 350 G HN 1.270 nan 8.290 nan 0.000 0.529 351 I N -2.558 117.920 120.570 -0.154 0.000 2.454 351 I HA 0.007 4.177 4.170 -0.000 0.000 0.254 351 I C 1.649 177.659 176.117 -0.178 0.000 1.156 351 I CA 1.882 63.073 61.300 -0.180 0.000 1.433 351 I CB -0.312 37.476 38.000 -0.354 0.000 1.082 351 I HN 0.458 nan 8.210 nan 0.000 0.432 352 H N 0.763 119.820 119.070 -0.022 0.000 2.524 352 H HA 0.191 4.747 4.556 0.000 0.000 0.280 352 H C 0.085 175.489 175.328 0.126 0.000 1.018 352 H CA -0.453 55.627 56.048 0.053 0.000 1.165 352 H CB -0.332 29.408 29.762 -0.037 0.000 1.411 352 H HN 0.342 nan 8.280 nan 0.000 0.569 353 F N 1.902 121.914 119.950 0.103 0.000 2.629 353 F HA -0.082 4.445 4.527 0.000 0.000 0.377 353 F C 0.895 176.749 175.800 0.090 0.000 1.101 353 F CA -0.482 57.581 58.000 0.105 0.000 1.301 353 F CB 0.390 39.431 39.000 0.068 0.000 1.062 353 F HN 0.129 nan 8.300 nan 0.000 0.583 354 C N 9.123 128.050 119.300 -0.622 0.000 2.298 354 C HA -0.000 4.460 4.460 -0.000 0.000 0.395 354 C C 1.917 176.740 174.990 -0.279 0.000 1.526 354 C CA 0.127 58.887 59.018 -0.431 0.000 1.458 354 C CB -2.152 25.299 27.740 -0.482 0.000 2.506 354 C HN 0.888 nan 8.230 nan 0.000 0.604 355 I N 3.776 124.255 120.570 -0.152 0.000 3.059 355 I HA 0.242 4.412 4.170 -0.000 0.000 0.270 355 I C 1.696 177.672 176.117 -0.235 0.000 1.238 355 I CA 1.433 62.671 61.300 -0.103 0.000 1.478 355 I CB -0.465 37.488 38.000 -0.079 0.000 1.097 355 I HN 0.670 nan 8.210 nan 0.000 0.455 356 G N 0.495 109.074 108.800 -0.369 0.000 3.284 356 G HA2 0.378 4.338 3.960 -0.000 0.000 0.236 356 G HA3 0.378 4.338 3.960 -0.000 0.000 0.236 356 G C 1.560 176.299 174.900 -0.268 0.000 1.158 356 G CA 0.412 45.276 45.100 -0.392 0.000 0.774 356 G HN 0.472 nan 8.290 nan 0.000 0.545 357 A N 2.124 124.683 122.820 -0.435 0.000 1.892 357 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 357 A C 0.611 178.010 177.584 -0.308 0.000 1.188 357 A CA 1.832 53.405 52.037 -0.773 0.000 0.631 357 A CB -1.024 17.266 19.000 -1.183 0.000 0.822 357 A HN 0.354 nan 8.150 nan 0.000 0.447 358 P HA -0.107 nan 4.420 nan 0.000 0.218 358 P C 1.588 178.909 177.300 0.035 0.000 1.149 358 P CA 0.778 63.874 63.100 -0.008 0.000 0.817 358 P CB -0.034 31.688 31.700 0.037 0.000 0.785 359 L N -0.337 120.916 121.223 0.050 0.000 2.072 359 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 359 L C 2.195 179.103 176.870 0.064 0.000 1.079 359 L CA 1.811 56.699 54.840 0.080 0.000 0.752 359 L CB -1.545 40.594 42.059 0.133 0.000 0.906 359 L HN -0.136 nan 8.230 nan 0.000 0.436 360 A N -0.313 122.543 122.820 0.059 0.000 1.902 360 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 360 A C 2.432 180.105 177.584 0.149 0.000 1.181 360 A CA 1.783 53.893 52.037 0.122 0.000 0.623 360 A CB -0.520 18.620 19.000 0.234 0.000 0.818 360 A HN 0.495 nan 8.150 nan 0.000 0.443 361 R N -1.251 119.342 120.500 0.155 0.000 2.075 361 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 361 R C 2.131 178.491 176.300 0.099 0.000 1.126 361 R CA 1.300 57.493 56.100 0.155 0.000 0.963 361 R CB -0.521 29.872 30.300 0.156 0.000 0.858 361 R HN 0.495 nan 8.270 nan 0.000 0.435 362 L N 1.653 122.922 121.223 0.077 0.000 2.012 362 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 362 L C 1.821 178.722 176.870 0.051 0.000 1.073 362 L CA 1.878 56.752 54.840 0.057 0.000 0.748 362 L CB -0.315 41.773 42.059 0.049 0.000 0.891 362 L HN 0.129 nan 8.230 nan 0.000 0.431 363 E N -0.489 119.743 120.200 0.053 0.000 2.051 363 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 363 E C 2.163 178.790 176.600 0.045 0.000 0.991 363 E CA 1.232 57.657 56.400 0.042 0.000 0.799 363 E CB -0.373 29.350 29.700 0.038 0.000 0.748 363 E HN 0.669 nan 8.360 nan 0.000 0.449 364 A N 1.465 124.322 122.820 0.062 0.000 1.877 364 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 364 A C 2.078 179.695 177.584 0.055 0.000 1.186 364 A CA 1.441 53.514 52.037 0.061 0.000 0.620 364 A CB -0.427 18.620 19.000 0.079 0.000 0.822 364 A HN 0.082 nan 8.150 nan 0.000 0.443 365 R N -0.521 120.014 120.500 0.059 0.000 2.081 365 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 365 R C 2.008 178.329 176.300 0.035 0.000 1.131 365 R CA 1.622 57.751 56.100 0.049 0.000 0.960 365 R CB -0.482 29.849 30.300 0.052 0.000 0.856 365 R HN 0.561 nan 8.270 nan 0.000 0.436 366 I N 0.479 121.068 120.570 0.031 0.000 2.252 366 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 366 I C 2.581 178.707 176.117 0.015 0.000 1.102 366 I CA 1.111 62.423 61.300 0.020 0.000 1.385 366 I CB -0.406 37.605 38.000 0.017 0.000 1.064 366 I HN 0.214 nan 8.210 nan 0.000 0.414 367 A N 0.530 123.361 122.820 0.019 0.000 1.873 367 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 367 A C 2.419 180.012 177.584 0.015 0.000 1.186 367 A CA 1.577 53.623 52.037 0.015 0.000 0.616 367 A CB -0.933 18.080 19.000 0.022 0.000 0.823 367 A HN 0.219 nan 8.150 nan 0.000 0.442 368 V N 0.126 120.055 119.914 0.026 0.000 2.343 368 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 368 V C 2.671 178.777 176.094 0.020 0.000 1.051 368 V CA 2.367 64.685 62.300 0.030 0.000 1.036 368 V CB -0.826 31.023 31.823 0.044 0.000 0.654 368 V HN 0.684 nan 8.190 nan 0.000 0.451 369 R N 0.240 120.750 120.500 0.016 0.000 2.081 369 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 369 R C 2.317 178.615 176.300 -0.004 0.000 1.131 369 R CA 1.629 57.735 56.100 0.009 0.000 0.960 369 R CB -0.485 29.821 30.300 0.010 0.000 0.856 369 R HN 0.466 nan 8.270 nan 0.000 0.436 370 A N 1.155 123.969 122.820 -0.009 0.000 1.908 370 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 370 A C 2.205 179.763 177.584 -0.044 0.000 1.181 370 A CA 1.383 53.404 52.037 -0.026 0.000 0.627 370 A CB -0.605 18.378 19.000 -0.028 0.000 0.818 370 A HN 0.367 nan 8.150 nan 0.000 0.445 371 L N -0.667 120.533 121.223 -0.038 0.000 2.046 371 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 371 L C 2.529 179.376 176.870 -0.038 0.000 1.077 371 L CA 1.036 55.845 54.840 -0.052 0.000 0.747 371 L CB -0.474 41.570 42.059 -0.025 0.000 0.896 371 L HN 0.388 nan 8.230 nan 0.000 0.432 372 L N -0.769 120.447 121.223 -0.012 0.000 2.109 372 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 372 L C 2.229 179.095 176.870 -0.007 0.000 1.086 372 L CA 1.174 56.015 54.840 0.001 0.000 0.760 372 L CB -0.446 41.621 42.059 0.013 0.000 0.910 372 L HN 0.314 nan 8.230 nan 0.000 0.437 373 E N -0.119 120.072 120.200 -0.016 0.000 2.435 373 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 373 E C 1.664 178.245 176.600 -0.032 0.000 1.029 373 E CA 0.282 56.671 56.400 -0.017 0.000 0.865 373 E CB 0.312 30.004 29.700 -0.014 0.000 0.833 373 E HN 0.446 nan 8.360 nan 0.000 0.510 374 R N -0.485 119.980 120.500 -0.058 0.000 2.446 374 R HA 0.219 4.559 4.340 -0.000 0.000 0.254 374 R C 0.002 176.218 176.300 -0.140 0.000 0.918 374 R CA -0.002 56.044 56.100 -0.090 0.000 1.069 374 R CB 0.863 31.098 30.300 -0.109 0.000 1.194 374 R HN -0.016 nan 8.270 nan 0.000 0.534 375 C N 4.265 123.490 119.300 -0.125 0.000 2.242 375 C HA 0.324 4.784 4.460 -0.000 0.000 0.317 375 C C -2.151 172.853 174.990 0.022 0.000 1.087 375 C CA -1.856 57.078 59.018 -0.139 0.000 1.535 375 C CB 0.703 28.346 27.740 -0.161 0.000 1.893 375 C HN 0.172 nan 8.230 nan 0.000 0.426 376 P HA 0.083 nan 4.420 nan 0.000 0.266 376 P C -0.091 177.297 177.300 0.146 0.000 1.215 376 P CA 1.075 64.235 63.100 0.101 0.000 0.763 376 P CB 0.474 32.237 31.700 0.104 0.000 0.806 377 D N -0.370 120.092 120.400 0.103 0.000 2.800 377 D HA -0.175 4.465 4.640 -0.000 0.000 0.232 377 D C 0.332 176.711 176.300 0.132 0.000 1.137 377 D CA 0.530 54.589 54.000 0.099 0.000 0.718 377 D CB -1.221 39.631 40.800 0.086 0.000 1.084 377 D HN 0.331 nan 8.370 nan 0.000 0.432 378 L N 0.307 121.614 121.223 0.140 0.000 2.540 378 L HA 0.332 4.672 4.340 -0.000 0.000 0.276 378 L C 0.362 177.306 176.870 0.123 0.000 1.212 378 L CA 0.839 55.780 54.840 0.168 0.000 0.893 378 L CB 0.586 42.716 42.059 0.119 0.000 1.138 378 L HN 0.275 nan 8.230 nan 0.000 0.491 379 A N 4.817 127.716 122.820 0.132 0.000 2.610 379 A HA 0.568 4.888 4.320 -0.000 0.000 0.291 379 A C -1.274 176.363 177.584 0.089 0.000 1.086 379 A CA -0.848 51.242 52.037 0.088 0.000 0.677 379 A CB 0.588 19.625 19.000 0.062 0.000 1.278 379 A HN 0.636 nan 8.150 nan 0.000 0.414 380 L N 0.881 122.147 121.223 0.071 0.000 2.416 380 L HA 0.232 4.572 4.340 -0.000 0.000 0.272 380 L C -0.009 176.892 176.870 0.051 0.000 1.161 380 L CA 0.123 55.010 54.840 0.077 0.000 0.845 380 L CB 0.639 42.752 42.059 0.090 0.000 1.119 380 L HN 0.834 nan 8.230 nan 0.000 0.464 381 D N 3.005 123.430 120.400 0.042 0.000 3.123 381 D HA 0.405 5.045 4.640 -0.000 0.000 0.305 381 D C -0.979 175.327 176.300 0.010 0.000 1.373 381 D CA 0.040 54.047 54.000 0.012 0.000 0.889 381 D CB 0.497 41.292 40.800 -0.009 0.000 1.070 381 D HN 0.165 nan 8.370 nan 0.000 0.494 382 V N -0.085 119.843 119.914 0.023 0.000 2.885 382 V HA 0.532 4.652 4.120 -0.000 0.000 0.254 382 V C -0.705 175.415 176.094 0.042 0.000 1.772 382 V CA -0.168 62.145 62.300 0.020 0.000 0.915 382 V CB 0.896 32.724 31.823 0.007 0.000 1.342 382 V HN 0.321 nan 8.190 nan 0.000 0.459 383 S N 5.470 121.193 115.700 0.038 0.000 2.579 383 S HA 0.610 5.080 4.470 -0.000 0.000 0.275 383 S C -1.494 173.156 174.600 0.083 0.000 1.345 383 S CA -0.411 57.822 58.200 0.055 0.000 1.031 383 S CB 0.321 63.546 63.200 0.042 0.000 0.892 383 S HN 0.739 nan 8.310 nan 0.000 0.529 384 P HA 0.030 nan 4.420 nan 0.000 0.221 384 P C 1.478 178.862 177.300 0.141 0.000 1.150 384 P CA 1.134 64.350 63.100 0.192 0.000 0.800 384 P CB 0.053 31.932 31.700 0.299 0.000 0.787 385 G N -0.714 108.151 108.800 0.107 0.000 2.708 385 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.210 385 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.210 385 G C 1.384 176.322 174.900 0.063 0.000 1.141 385 G CA 0.950 46.102 45.100 0.088 0.000 0.788 385 G HN 0.391 nan 8.290 nan 0.000 0.531 386 E N 0.064 120.291 120.200 0.045 0.000 2.476 386 E HA 0.465 4.815 4.350 -0.000 0.000 0.199 386 E C 1.049 177.641 176.600 -0.012 0.000 1.021 386 E CA -0.371 56.039 56.400 0.017 0.000 0.907 386 E CB -0.058 29.647 29.700 0.009 0.000 0.974 386 E HN 0.424 nan 8.360 nan 0.000 0.489 387 L N 0.442 121.649 121.223 -0.027 0.000 2.464 387 L HA 0.441 4.781 4.340 -0.000 0.000 0.264 387 L C -0.171 176.629 176.870 -0.115 0.000 1.199 387 L CA -0.645 54.103 54.840 -0.152 0.000 0.818 387 L CB 1.693 43.573 42.059 -0.299 0.000 1.102 387 L HN 0.082 nan 8.230 nan 0.000 0.473 388 V N 0.650 120.431 119.914 -0.223 0.000 2.407 388 V HA 0.298 4.418 4.120 -0.000 0.000 0.291 388 V C -0.865 175.124 176.094 -0.174 0.000 1.018 388 V CA -0.543 61.718 62.300 -0.064 0.000 0.842 388 V CB 1.381 33.215 31.823 0.018 0.000 0.996 388 V HN 0.556 nan 8.190 nan 0.000 0.426 389 W N 3.039 124.324 121.300 -0.025 0.000 2.512 389 W HA 0.590 5.249 4.660 -0.001 0.000 0.335 389 W C 0.091 176.691 176.519 0.135 0.000 1.088 389 W CA -0.713 56.565 57.345 -0.112 0.000 1.236 389 W CB 0.594 29.958 29.460 -0.160 0.000 1.307 389 W HN 0.501 nan 8.180 nan 0.000 0.567 390 Y N 2.691 123.106 120.300 0.193 0.000 2.497 390 Y HA 0.022 4.572 4.550 -0.000 0.000 0.334 390 Y C -1.132 174.895 175.900 0.212 0.000 1.199 390 Y CA -1.563 56.555 58.100 0.031 0.000 1.425 390 Y CB 0.251 38.458 38.460 -0.422 0.000 1.291 390 Y HN 0.238 nan 8.280 nan 0.000 0.562 391 P HA -0.081 nan 4.420 nan 0.000 0.240 391 P C -0.051 177.406 177.300 0.261 0.000 1.190 391 P CA 0.333 63.630 63.100 0.327 0.000 0.781 391 P CB 0.228 32.117 31.700 0.314 0.000 0.931 392 N N 1.753 120.594 118.700 0.234 0.000 2.292 392 N HA -0.068 4.672 4.740 -0.000 0.000 0.258 392 N C -1.111 174.503 175.510 0.175 0.000 1.261 392 N CA -0.370 52.784 53.050 0.174 0.000 0.845 392 N CB 0.757 39.308 38.487 0.107 0.000 1.064 392 N HN 0.029 nan 8.380 nan 0.000 0.471 393 P HA -0.116 nan 4.420 nan 0.000 0.219 393 P C 1.210 178.597 177.300 0.145 0.000 1.150 393 P CA 1.374 64.588 63.100 0.190 0.000 0.814 393 P CB 0.299 32.118 31.700 0.197 0.000 0.787 394 M N -1.386 118.288 119.600 0.123 0.000 2.357 394 M HA 0.085 4.565 4.480 -0.000 0.000 0.266 394 M C 0.785 177.126 176.300 0.069 0.000 1.095 394 M CA 0.820 56.172 55.300 0.086 0.000 1.156 394 M CB 0.126 32.774 32.600 0.080 0.000 1.365 394 M HN -0.214 nan 8.290 nan 0.000 0.447 395 I N 0.991 121.612 120.570 0.087 0.000 2.354 395 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 395 I C -0.035 176.164 176.117 0.136 0.000 0.989 395 I CA -0.466 60.894 61.300 0.100 0.000 1.188 395 I CB 1.366 39.430 38.000 0.107 0.000 1.342 395 I HN 0.084 nan 8.210 nan 0.000 0.457 396 R N 4.753 125.320 120.500 0.111 0.000 2.215 396 R HA 0.700 5.040 4.340 -0.000 0.000 0.336 396 R C -0.525 175.879 176.300 0.172 0.000 0.996 396 R CA -0.185 55.986 56.100 0.118 0.000 0.847 396 R CB 0.853 31.177 30.300 0.041 0.000 1.127 396 R HN 0.856 nan 8.270 nan 0.000 0.465 397 G N 2.944 111.817 108.800 0.122 0.000 2.646 397 G HA2 0.409 4.369 3.960 -0.000 0.000 0.291 397 G HA3 0.409 4.369 3.960 -0.000 0.000 0.291 397 G C -1.743 172.486 174.900 -1.119 0.000 1.445 397 G CA -0.885 44.017 45.100 -0.329 0.000 0.814 397 G HN 0.449 nan 8.290 nan 0.000 0.495 398 L N 0.619 121.113 121.223 -1.215 0.000 2.344 398 L HA 0.471 4.811 4.340 -0.000 0.000 0.272 398 L C 1.776 178.112 176.870 -0.889 0.000 1.035 398 L CA -0.835 53.264 54.840 -1.236 0.000 0.807 398 L CB 2.170 43.571 42.059 -1.097 0.000 1.237 398 L HN 0.786 nan 8.230 nan 0.000 0.442 399 K N 1.620 121.757 120.400 -0.437 0.000 2.103 399 K HA 0.144 4.464 4.320 -0.000 0.000 0.204 399 K C 0.226 176.816 176.600 -0.017 0.000 1.052 399 K CA 1.023 57.366 56.287 0.095 0.000 0.945 399 K CB 0.314 32.981 32.500 0.278 0.000 0.722 399 K HN 0.717 nan 8.250 nan 0.000 0.443 400 A N 0.373 123.100 122.820 -0.155 0.000 2.612 400 A HA 0.543 4.863 4.320 -0.000 0.000 0.293 400 A C -2.052 175.423 177.584 -0.181 0.000 1.075 400 A CA -0.763 51.205 52.037 -0.116 0.000 0.680 400 A CB 1.559 20.523 19.000 -0.060 0.000 1.279 400 A HN 0.120 nan 8.150 nan 0.000 0.411 401 L N 1.694 122.853 121.223 -0.107 0.000 2.490 401 L HA 0.532 4.872 4.340 -0.000 0.000 0.256 401 L C -2.799 174.065 176.870 -0.010 0.000 1.089 401 L CA -1.687 53.100 54.840 -0.089 0.000 0.916 401 L CB 1.453 43.465 42.059 -0.078 0.000 1.188 401 L HN 0.332 nan 8.230 nan 0.000 0.476 402 P HA 0.335 nan 4.420 nan 0.000 0.271 402 P C -0.608 176.725 177.300 0.054 0.000 1.226 402 P CA 0.165 63.279 63.100 0.022 0.000 0.765 402 P CB 0.551 32.250 31.700 -0.001 0.000 0.835 403 I N 0.934 121.561 120.570 0.096 0.000 3.108 403 I HA 0.848 5.018 4.170 -0.000 0.000 0.312 403 I C -0.494 175.699 176.117 0.127 0.000 1.095 403 I CA -1.695 59.688 61.300 0.139 0.000 1.000 403 I CB 2.757 40.881 38.000 0.207 0.000 1.229 403 I HN 0.274 nan 8.210 nan 0.000 0.454 404 R N 1.355 121.938 120.500 0.138 0.000 2.739 404 R HA 0.775 5.115 4.340 -0.000 0.000 0.271 404 R C -2.281 174.124 176.300 0.175 0.000 1.010 404 R CA -0.724 55.348 56.100 -0.046 0.000 0.897 404 R CB 1.473 31.688 30.300 -0.141 0.000 1.236 404 R HN 0.954 nan 8.270 nan 0.000 0.466 405 W N -1.907 119.399 121.300 0.011 0.000 3.018 405 W HA 0.680 5.340 4.660 0.001 0.000 0.352 405 W C -0.746 175.779 176.519 0.010 0.000 1.230 405 W CA -1.093 56.259 57.345 0.012 0.000 1.162 405 W CB 0.606 30.074 29.460 0.013 0.000 1.483 405 W HN 0.796 nan 8.180 nan 0.000 0.584 406 R N 0.525 121.166 120.500 0.236 0.000 2.878 406 R HA 0.739 5.079 4.340 -0.000 0.000 0.239 406 R C 0.001 176.409 176.300 0.181 0.000 1.515 406 R CA 0.824 56.996 56.100 0.121 0.000 1.210 406 R CB -1.394 28.973 30.300 0.113 0.000 1.209 406 R HN 1.487 nan 8.270 nan 0.000 0.610 407 R N 0.000 120.528 120.500 0.047 0.000 2.786 407 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 407 R CA 0.000 nan 56.100 nan 0.000 0.921 407 R CB 0.000 nan 30.300 nan 0.000 0.687 407 R HN 0.000 nan 8.270 nan 0.000 0.535