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 2vmk_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKRMLINATQ QXXLRVALVD GQRLYDLDIE SPGXXXKKAN IYKGKITRIE DATA SEQUENCE PSLEAAFVDY GAERHGFLPL KEIAREYFXX XXXXXXRPNI KDVLREGQEV DATA SEQUENCE IVQIDKEERG NKGAALTTFI SLAGSYLVLM PNNPRAGGIS XXXXXXXRTE DATA SEQUENCE LKEALASLEL PEGMGLIVRT AGVGKSAEAL QWDLSFRLKH WEAIKKAAES DATA SEQUENCE RPAPFLIHQE SNVIVRAFRD YLRQDIGEIL IDNPKVLELA RQHIAALGRP DATA SEQUENCE DFSSKIKLYT GEIPLFSHYQ IESQIESAFQ REVRLPSGGS IVIDSTEALT DATA SEQUENCE AIDINSAXXX XXGDIEETAF NTNLEAADEI ARQLRLRDLG GLIVIDFIDM DATA SEQUENCE TPVRHQRAVE NRLREAVRQD RARIQISHIS RFGLLEMSRQ RLSXXXXXXX DATA SEQUENCE HHVCPRCSGT GTVRDNESLS LSILRLIEEE ALKENTQEVH AIVPVPIASY DATA SEQUENCE LLNEKRSAVN AIETRQDGVR CVIVPNDQME TPHYHVLRVR KGEETPTLSY DATA SEQUENCE MLPKLH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.337 176.300 0.062 0.000 1.140 1 M CA 0.000 55.330 55.300 0.050 0.000 0.988 1 M CB 0.000 32.636 32.600 0.060 0.000 1.302 2 K N 4.460 124.902 120.400 0.070 0.000 2.258 2 K HA 0.610 4.930 4.320 0.001 0.000 0.284 2 K C -0.738 175.913 176.600 0.084 0.000 1.051 2 K CA -0.524 55.831 56.287 0.113 0.000 0.923 2 K CB 1.326 33.908 32.500 0.137 0.000 1.046 2 K HN 0.585 nan 8.250 nan 0.000 0.474 3 R N 1.792 122.324 120.500 0.054 0.000 2.854 3 R HA 0.426 4.766 4.340 0.001 0.000 0.271 3 R C -0.716 175.554 176.300 -0.050 0.000 0.996 3 R CA -0.937 55.153 56.100 -0.017 0.000 0.961 3 R CB 1.930 32.166 30.300 -0.106 0.000 1.182 3 R HN 0.487 nan 8.270 nan 0.000 0.479 4 M N 3.648 123.221 119.600 -0.045 0.000 2.044 4 M HA 0.353 4.833 4.480 0.001 0.000 0.333 4 M C -1.585 174.668 176.300 -0.079 0.000 1.004 4 M CA -0.553 54.714 55.300 -0.054 0.000 0.954 4 M CB 0.605 33.232 32.600 0.045 0.000 1.468 4 M HN 0.424 nan 8.290 nan 0.000 0.414 5 L N 6.241 127.373 121.223 -0.153 0.000 2.292 5 L HA 0.506 4.847 4.340 0.001 0.000 0.284 5 L C -0.642 176.299 176.870 0.118 0.000 1.065 5 L CA -0.390 54.400 54.840 -0.084 0.000 0.806 5 L CB 1.096 43.020 42.059 -0.225 0.000 1.175 5 L HN 0.683 nan 8.230 nan 0.000 0.431 6 I N 3.370 124.026 120.570 0.142 0.000 2.466 6 I HA 0.194 4.364 4.170 0.001 0.000 0.279 6 I C -0.206 175.936 176.117 0.042 0.000 1.033 6 I CA -0.192 61.176 61.300 0.113 0.000 1.123 6 I CB 1.328 39.374 38.000 0.076 0.000 1.237 6 I HN 0.657 nan 8.210 nan 0.000 0.460 7 N N 5.254 123.885 118.700 -0.115 0.000 2.408 7 N HA 0.446 5.187 4.740 0.001 0.000 0.257 7 N C 0.207 175.590 175.510 -0.211 0.000 1.064 7 N CA 0.070 52.914 53.050 -0.344 0.000 0.952 7 N CB 1.219 39.092 38.487 -1.023 0.000 1.093 7 N HN 0.764 nan 8.380 nan 0.000 0.490 8 A N 2.468 125.221 122.820 -0.112 0.000 2.661 8 A HA 0.067 4.388 4.320 0.001 0.000 0.278 8 A C 1.237 178.795 177.584 -0.043 0.000 1.090 8 A CA -0.244 51.754 52.037 -0.065 0.000 0.969 8 A CB -0.267 18.720 19.000 -0.022 0.000 1.240 8 A HN 0.732 nan 8.150 nan 0.000 0.578 9 T N -3.632 110.892 114.554 -0.049 0.000 3.118 9 T HA 0.370 4.720 4.350 0.001 0.000 0.260 9 T C 0.791 175.471 174.700 -0.032 0.000 1.139 9 T CA 1.309 63.396 62.100 -0.021 0.000 1.085 9 T CB -0.367 68.500 68.868 -0.002 0.000 0.934 9 T HN 0.930 nan 8.240 nan 0.000 0.518 10 Q N -0.220 119.547 119.800 -0.056 0.000 2.353 10 Q HA 0.778 5.118 4.340 0.001 0.000 0.268 10 Q C -0.359 175.614 176.000 -0.046 0.000 1.045 10 Q CA -0.688 55.084 55.803 -0.052 0.000 0.811 10 Q CB 0.874 29.569 28.738 -0.072 0.000 1.305 10 Q HN 0.861 nan 8.270 nan 0.000 0.447 15 R N 3.978 124.416 120.500 -0.103 0.000 2.599 15 R HA 0.896 5.237 4.340 0.001 0.000 0.295 15 R C -1.435 174.881 176.300 0.027 0.000 0.963 15 R CA -1.010 55.060 56.100 -0.051 0.000 0.883 15 R CB 2.593 32.850 30.300 -0.071 0.000 1.171 15 R HN 0.344 nan 8.270 nan 0.000 0.450 16 V N 1.981 121.900 119.914 0.009 0.000 2.407 16 V HA 0.604 4.724 4.120 0.001 0.000 0.291 16 V C -0.580 175.430 176.094 -0.139 0.000 1.018 16 V CA -0.714 61.553 62.300 -0.055 0.000 0.842 16 V CB 1.651 33.342 31.823 -0.220 0.000 0.996 16 V HN 0.927 nan 8.190 nan 0.000 0.426 17 A N 6.115 128.865 122.820 -0.118 0.000 2.319 17 A HA 0.835 5.155 4.320 0.001 0.000 0.310 17 A C -0.830 176.533 177.584 -0.369 0.000 1.152 17 A CA -0.529 51.317 52.037 -0.319 0.000 0.783 17 A CB 0.868 19.543 19.000 -0.542 0.000 1.184 17 A HN 0.805 nan 8.150 nan 0.000 0.474 18 L N 2.964 123.920 121.223 -0.445 0.000 2.281 18 L HA 0.468 4.808 4.340 0.001 0.000 0.285 18 L C -0.739 175.776 176.870 -0.592 0.000 1.074 18 L CA -0.504 54.035 54.840 -0.503 0.000 0.817 18 L CB 1.245 42.909 42.059 -0.657 0.000 1.168 18 L HN 0.425 nan 8.230 nan 0.000 0.434 19 V N 2.644 122.397 119.914 -0.269 0.000 2.483 19 V HA 0.234 4.354 4.120 0.001 0.000 0.297 19 V C -0.412 175.778 176.094 0.160 0.000 1.027 19 V CA -0.675 61.576 62.300 -0.081 0.000 0.855 19 V CB 2.038 33.758 31.823 -0.173 0.000 0.995 19 V HN 0.656 nan 8.190 nan 0.000 0.424 20 D N 3.907 124.492 120.400 0.308 0.000 2.412 20 D HA 0.483 5.123 4.640 0.001 0.000 0.224 20 D C 0.974 177.327 176.300 0.088 0.000 1.093 20 D CA 1.037 55.144 54.000 0.178 0.000 0.850 20 D CB 1.495 42.324 40.800 0.049 0.000 1.046 20 D HN 0.788 nan 8.370 nan 0.000 0.507 21 G N 5.035 113.877 108.800 0.071 0.000 3.274 21 G HA2 -0.328 3.632 3.960 0.001 0.000 0.313 21 G HA3 -0.328 3.632 3.960 0.001 0.000 0.313 21 G C 0.568 175.509 174.900 0.068 0.000 1.295 21 G CA 0.433 45.569 45.100 0.060 0.000 1.004 21 G HN 0.568 nan 8.290 nan 0.000 0.614 22 Q N 0.036 119.865 119.800 0.047 0.000 2.089 22 Q HA 0.273 4.613 4.340 0.001 0.000 0.248 22 Q C 0.490 176.503 176.000 0.022 0.000 0.828 22 Q CA -0.305 55.519 55.803 0.035 0.000 1.102 22 Q CB 1.466 30.217 28.738 0.021 0.000 1.221 22 Q HN 0.482 nan 8.270 nan 0.000 0.455 23 R N 1.933 122.461 120.500 0.047 0.000 2.233 23 R HA 0.235 4.576 4.340 0.001 0.000 0.334 23 R C -0.605 175.752 176.300 0.096 0.000 1.037 23 R CA -0.541 55.596 56.100 0.061 0.000 0.920 23 R CB 0.457 30.796 30.300 0.065 0.000 1.137 23 R HN 0.085 nan 8.270 nan 0.000 0.492 24 L N 6.073 127.299 121.223 0.005 0.000 2.534 24 L HA -0.011 4.329 4.340 0.001 0.000 0.271 24 L C -0.238 176.653 176.870 0.035 0.000 1.178 24 L CA 0.710 55.511 54.840 -0.066 0.000 0.907 24 L CB 0.264 42.252 42.059 -0.119 0.000 1.164 24 L HN 0.715 nan 8.230 nan 0.000 0.482 25 Y N 0.958 121.229 120.300 -0.048 0.000 2.527 25 Y HA 0.574 5.124 4.550 0.001 0.000 0.247 25 Y C -0.178 175.725 175.900 0.004 0.000 1.138 25 Y CA -0.847 57.242 58.100 -0.019 0.000 1.228 25 Y CB 0.326 38.782 38.460 -0.006 0.000 1.252 25 Y HN 0.530 nan 8.280 nan 0.000 0.531 26 D N 0.798 120.958 120.400 -0.400 0.000 2.736 26 D HA 0.436 5.077 4.640 0.001 0.000 0.223 26 D C -2.153 174.012 176.300 -0.225 0.000 1.231 26 D CA -0.314 53.577 54.000 -0.182 0.000 0.818 26 D CB 3.002 43.783 40.800 -0.032 0.000 1.587 26 D HN 0.162 nan 8.370 nan 0.000 0.463 27 L N 1.897 123.039 121.223 -0.134 0.000 2.409 27 L HA 0.586 4.926 4.340 0.001 0.000 0.262 27 L C -1.669 175.115 176.870 -0.143 0.000 0.992 27 L CA -0.371 54.372 54.840 -0.161 0.000 0.817 27 L CB 2.090 44.093 42.059 -0.092 0.000 1.350 27 L HN 0.200 nan 8.230 nan 0.000 0.411 28 D N 3.679 123.963 120.400 -0.193 0.000 2.787 28 D HA 0.456 5.096 4.640 0.001 0.000 0.246 28 D C -1.131 175.130 176.300 -0.064 0.000 1.150 28 D CA -0.053 53.873 54.000 -0.124 0.000 0.864 28 D CB 1.839 42.510 40.800 -0.216 0.000 1.481 28 D HN 0.497 nan 8.370 nan 0.000 0.509 29 I N 3.000 123.558 120.570 -0.020 0.000 2.697 29 I HA 0.175 4.345 4.170 0.001 0.000 0.279 29 I C 0.108 176.218 176.117 -0.012 0.000 1.171 29 I CA -0.560 60.735 61.300 -0.009 0.000 1.135 29 I CB 1.015 39.028 38.000 0.021 0.000 1.445 29 I HN 0.209 nan 8.210 nan 0.000 0.541 30 E N 3.915 124.097 120.200 -0.029 0.000 2.223 30 E HA 0.270 4.620 4.350 0.001 0.000 0.282 30 E C -0.242 176.340 176.600 -0.029 0.000 1.046 30 E CA -0.262 56.122 56.400 -0.026 0.000 0.857 30 E CB 0.806 30.485 29.700 -0.035 0.000 1.055 30 E HN 0.516 nan 8.360 nan 0.000 0.409 31 S N 4.816 120.504 115.700 -0.019 0.000 2.640 31 S HA 0.532 5.002 4.470 0.001 0.000 0.320 31 S C -2.437 172.152 174.600 -0.017 0.000 1.097 31 S CA -1.458 56.731 58.200 -0.018 0.000 1.092 31 S CB 1.236 64.431 63.200 -0.009 0.000 0.988 31 S HN 0.397 nan 8.310 nan 0.000 0.470 32 P HA 0.461 nan 4.420 nan 0.000 0.291 32 P C 0.465 177.757 177.300 -0.013 0.000 1.378 32 P CA -0.065 63.022 63.100 -0.022 0.000 0.853 32 P CB 0.801 32.481 31.700 -0.032 0.000 1.002 38 K N 0.086 120.504 120.400 0.030 0.000 2.218 38 K HA 0.783 5.103 4.320 0.001 0.000 0.214 38 K C 1.749 178.367 176.600 0.031 0.000 1.033 38 K CA 1.498 57.800 56.287 0.026 0.000 0.949 38 K CB -0.040 32.470 32.500 0.017 0.000 0.993 38 K HN 1.465 nan 8.250 nan 0.000 0.464 39 A N 2.294 125.131 122.820 0.029 0.000 3.154 39 A HA 0.409 4.729 4.320 0.001 0.000 0.310 39 A C -0.680 176.930 177.584 0.044 0.000 1.093 39 A CA -0.608 51.455 52.037 0.043 0.000 1.006 39 A CB -0.547 18.482 19.000 0.047 0.000 1.084 39 A HN 0.418 nan 8.150 nan 0.000 0.549 40 N N 0.427 119.139 118.700 0.019 0.000 2.524 40 N HA 0.491 5.231 4.740 0.001 0.000 0.283 40 N C -0.622 174.825 175.510 -0.105 0.000 1.142 40 N CA 0.110 53.111 53.050 -0.081 0.000 0.984 40 N CB 1.248 39.669 38.487 -0.110 0.000 1.155 40 N HN 0.402 nan 8.380 nan 0.000 0.467 41 I N 2.077 122.528 120.570 -0.198 0.000 2.404 41 I HA 0.332 4.502 4.170 0.001 0.000 0.293 41 I C -0.817 175.069 176.117 -0.385 0.000 0.992 41 I CA -0.652 60.586 61.300 -0.105 0.000 1.149 41 I CB 0.762 38.838 38.000 0.127 0.000 1.315 41 I HN 0.323 nan 8.210 nan 0.000 0.446 42 Y N 4.107 124.392 120.300 -0.025 0.000 2.570 42 Y HA 0.447 4.998 4.550 0.001 0.000 0.345 42 Y C 0.002 175.774 175.900 -0.213 0.000 1.014 42 Y CA -1.059 56.972 58.100 -0.115 0.000 1.063 42 Y CB 1.501 39.953 38.460 -0.013 0.000 1.272 42 Y HN 0.322 nan 8.280 nan 0.000 0.477 43 K N 1.328 121.523 120.400 -0.341 0.000 2.258 43 K HA 0.589 4.909 4.320 0.001 0.000 0.284 43 K C -0.482 176.049 176.600 -0.115 0.000 1.051 43 K CA -0.184 55.919 56.287 -0.306 0.000 0.923 43 K CB 0.743 32.890 32.500 -0.588 0.000 1.046 43 K HN 0.994 nan 8.250 nan 0.000 0.474 44 G N 1.272 110.063 108.800 -0.014 0.000 2.591 44 G HA2 0.503 4.464 3.960 0.001 0.000 0.306 44 G HA3 0.503 4.464 3.960 0.001 0.000 0.306 44 G C -1.154 173.767 174.900 0.036 0.000 1.334 44 G CA -0.626 44.501 45.100 0.044 0.000 0.981 44 G HN 0.603 nan 8.290 nan 0.000 0.491 45 K N 1.606 122.044 120.400 0.063 0.000 2.172 45 K HA 0.674 4.994 4.320 0.001 0.000 0.276 45 K C 0.167 176.793 176.600 0.044 0.000 1.013 45 K CA -0.710 55.607 56.287 0.051 0.000 0.913 45 K CB 0.848 33.386 32.500 0.064 0.000 1.055 45 K HN 0.568 nan 8.250 nan 0.000 0.461 46 I N 3.311 123.888 120.570 0.012 0.000 2.494 46 I HA -0.005 4.166 4.170 0.001 0.000 0.289 46 I C 1.351 177.468 176.117 0.000 0.000 1.106 46 I CA -0.185 61.115 61.300 -0.000 0.000 1.369 46 I CB 0.902 38.886 38.000 -0.028 0.000 1.410 46 I HN 0.864 nan 8.210 nan 0.000 0.523 47 T N 5.842 120.390 114.554 -0.011 0.000 2.809 47 T HA -0.024 4.327 4.350 0.001 0.000 0.260 47 T C 0.644 175.303 174.700 -0.068 0.000 1.039 47 T CA 0.892 62.939 62.100 -0.088 0.000 1.141 47 T CB 0.037 68.713 68.868 -0.319 0.000 0.869 47 T HN 0.688 nan 8.240 nan 0.000 0.437 48 R N -0.269 120.225 120.500 -0.009 0.000 2.644 48 R HA 0.426 4.766 4.340 0.001 0.000 0.257 48 R C -2.317 174.039 176.300 0.093 0.000 1.082 48 R CA -0.639 55.470 56.100 0.015 0.000 0.927 48 R CB 0.455 30.729 30.300 -0.044 0.000 1.258 48 R HN 0.135 nan 8.270 nan 0.000 0.459 49 I N 2.140 122.742 120.570 0.053 0.000 2.412 49 I HA 0.327 4.498 4.170 0.001 0.000 0.296 49 I C -0.167 175.987 176.117 0.063 0.000 0.987 49 I CA -0.718 60.606 61.300 0.040 0.000 1.180 49 I CB 1.985 39.986 38.000 0.003 0.000 1.340 49 I HN 0.469 nan 8.210 nan 0.000 0.455 50 E N 7.521 127.757 120.200 0.060 0.000 2.255 50 E HA 0.231 4.582 4.350 0.001 0.000 0.245 50 E C -1.985 174.635 176.600 0.033 0.000 0.909 50 E CA -1.618 54.828 56.400 0.077 0.000 0.747 50 E CB 1.671 31.469 29.700 0.163 0.000 1.215 50 E HN 0.337 nan 8.360 nan 0.000 0.424 51 P HA -0.112 nan 4.420 nan 0.000 0.226 51 P C 1.410 178.727 177.300 0.027 0.000 1.153 51 P CA 0.757 63.867 63.100 0.017 0.000 0.777 51 P CB 0.587 32.296 31.700 0.015 0.000 0.794 52 S N -0.157 115.569 115.700 0.043 0.000 2.368 52 S HA -0.035 4.435 4.470 0.001 0.000 0.224 52 S C 1.657 176.294 174.600 0.062 0.000 1.029 52 S CA 0.823 59.053 58.200 0.051 0.000 0.988 52 S CB -0.710 62.526 63.200 0.060 0.000 0.838 52 S HN 0.078 nan 8.310 nan 0.000 0.462 53 L N 1.227 122.498 121.223 0.080 0.000 2.628 53 L HA 0.402 4.742 4.340 0.001 0.000 0.229 53 L C 1.027 177.932 176.870 0.058 0.000 1.137 53 L CA 0.545 55.447 54.840 0.103 0.000 0.909 53 L CB -0.914 41.260 42.059 0.191 0.000 1.137 53 L HN 0.467 nan 8.230 nan 0.000 0.470 54 E N 0.174 120.385 120.200 0.018 0.000 2.328 54 E HA -0.046 4.304 4.350 0.001 0.000 0.233 54 E C 0.239 176.788 176.600 -0.085 0.000 1.219 54 E CA 0.797 57.187 56.400 -0.017 0.000 0.717 54 E CB -2.079 27.623 29.700 0.004 0.000 1.210 54 E HN 0.687 nan 8.360 nan 0.000 0.381 55 A N -1.729 121.000 122.820 -0.152 0.000 2.588 55 A HA 1.119 5.440 4.320 0.001 0.000 0.290 55 A C 0.012 177.378 177.584 -0.362 0.000 1.136 55 A CA 0.176 51.982 52.037 -0.386 0.000 0.681 55 A CB 1.114 19.667 19.000 -0.745 0.000 1.282 55 A HN 1.972 nan 8.150 nan 0.000 0.421 56 A N -0.640 121.867 122.820 -0.523 0.000 2.530 56 A HA 0.885 5.206 4.320 0.001 0.000 0.288 56 A C -1.660 175.620 177.584 -0.506 0.000 1.172 56 A CA -0.470 51.371 52.037 -0.327 0.000 0.733 56 A CB 0.845 19.734 19.000 -0.186 0.000 1.320 56 A HN 0.928 nan 8.150 nan 0.000 0.419 57 F N 0.156 120.032 119.950 -0.124 0.000 2.482 57 F HA 0.577 5.104 4.527 0.001 0.000 0.331 57 F C -0.070 175.706 175.800 -0.041 0.000 1.115 57 F CA -0.447 57.516 58.000 -0.061 0.000 0.955 57 F CB 2.387 41.346 39.000 -0.069 0.000 1.136 57 F HN 0.280 nan 8.300 nan 0.000 0.452 58 V N 1.953 121.991 119.914 0.207 0.000 2.495 58 V HA 0.266 4.387 4.120 0.001 0.000 0.298 58 V C -0.772 175.541 176.094 0.366 0.000 1.031 58 V CA -0.873 61.543 62.300 0.193 0.000 0.871 58 V CB 1.807 33.691 31.823 0.102 0.000 0.988 58 V HN 0.556 nan 8.190 nan 0.000 0.432 59 D N 3.239 123.843 120.400 0.340 0.000 2.393 59 D HA 0.170 4.811 4.640 0.001 0.000 0.232 59 D C 0.402 176.756 176.300 0.090 0.000 1.192 59 D CA -0.301 53.851 54.000 0.253 0.000 0.882 59 D CB 0.578 41.528 40.800 0.250 0.000 1.038 59 D HN 0.674 nan 8.370 nan 0.000 0.499 60 Y N 1.494 121.720 120.300 -0.124 0.000 2.493 60 Y HA 0.416 4.966 4.550 0.001 0.000 0.275 60 Y C 1.408 177.162 175.900 -0.244 0.000 1.183 60 Y CA -0.266 57.670 58.100 -0.272 0.000 1.258 60 Y CB 0.291 38.344 38.460 -0.677 0.000 1.108 60 Y HN 0.339 nan 8.280 nan 0.000 0.521 61 G N 0.123 108.695 108.800 -0.380 0.000 2.159 61 G HA2 -0.156 3.804 3.960 0.001 0.000 0.227 61 G HA3 -0.156 3.804 3.960 0.001 0.000 0.227 61 G C 0.320 174.996 174.900 -0.375 0.000 0.986 61 G CA -0.246 44.703 45.100 -0.251 0.000 0.651 61 G HN 0.917 nan 8.290 nan 0.000 0.523 62 A N -0.368 122.001 122.820 -0.750 0.000 2.287 62 A HA 0.805 5.126 4.320 0.001 0.000 0.273 62 A C 1.287 178.606 177.584 -0.441 0.000 1.091 62 A CA 1.400 53.089 52.037 -0.580 0.000 0.817 62 A CB 0.385 18.923 19.000 -0.770 0.000 1.069 62 A HN 1.529 nan 8.150 nan 0.000 0.492 63 E N 0.005 120.041 120.200 -0.274 0.000 2.472 63 E HA -0.013 4.338 4.350 0.001 0.000 0.200 63 E C 0.928 177.385 176.600 -0.238 0.000 1.046 63 E CA 1.373 57.644 56.400 -0.214 0.000 0.871 63 E CB -0.121 29.507 29.700 -0.120 0.000 0.806 63 E HN 0.607 nan 8.360 nan 0.000 0.533 64 R N -0.595 119.741 120.500 -0.273 0.000 2.628 64 R HA 0.444 4.785 4.340 0.001 0.000 0.288 64 R C -1.298 174.876 176.300 -0.210 0.000 0.980 64 R CA -0.694 55.299 56.100 -0.178 0.000 0.891 64 R CB 1.070 31.346 30.300 -0.039 0.000 1.188 64 R HN 0.438 nan 8.270 nan 0.000 0.450 65 H N 0.427 119.521 119.070 0.040 0.000 2.629 65 H HA 0.268 4.824 4.556 0.001 0.000 0.357 65 H C 0.778 176.295 175.328 0.313 0.000 1.121 65 H CA 0.860 56.993 56.048 0.140 0.000 1.406 65 H CB 1.383 31.262 29.762 0.195 0.000 1.456 65 H HN 0.789 nan 8.280 nan 0.000 0.579 66 G N 1.047 110.159 108.800 0.521 0.000 2.580 66 G HA2 0.290 4.251 3.960 0.001 0.000 0.278 66 G HA3 0.290 4.251 3.960 0.001 0.000 0.278 66 G C -1.250 173.815 174.900 0.274 0.000 1.212 66 G CA -0.454 44.891 45.100 0.408 0.000 0.939 66 G HN 0.521 nan 8.290 nan 0.000 0.513 67 F N 0.813 120.738 119.950 -0.040 0.000 2.445 67 F HA 0.558 5.086 4.527 0.001 0.000 0.348 67 F C -0.870 174.804 175.800 -0.210 0.000 1.125 67 F CA -1.160 56.679 58.000 -0.268 0.000 0.983 67 F CB 1.775 40.641 39.000 -0.222 0.000 1.198 67 F HN 0.291 nan 8.300 nan 0.000 0.436 68 L N 9.990 130.794 121.223 -0.697 0.000 2.313 68 L HA 0.594 4.935 4.340 0.001 0.000 0.273 68 L C -2.388 174.113 176.870 -0.615 0.000 1.028 68 L CA -2.307 52.250 54.840 -0.471 0.000 0.871 68 L CB 0.514 42.391 42.059 -0.302 0.000 1.242 68 L HN 0.334 nan 8.230 nan 0.000 0.434 69 P HA 0.070 nan 4.420 nan 0.000 0.272 69 P C 1.099 178.301 177.300 -0.163 0.000 1.230 69 P CA -0.015 62.899 63.100 -0.310 0.000 0.788 69 P CB 0.917 32.599 31.700 -0.031 0.000 0.949 70 L N 1.818 122.977 121.223 -0.107 0.000 2.046 70 L HA -0.171 4.170 4.340 0.001 0.000 0.208 70 L C 2.796 179.674 176.870 0.013 0.000 1.077 70 L CA 3.218 58.027 54.840 -0.052 0.000 0.747 70 L CB -2.750 39.292 42.059 -0.029 0.000 0.896 70 L HN 0.543 nan 8.230 nan 0.000 0.432 71 K N -0.472 119.955 120.400 0.044 0.000 2.520 71 K HA -0.130 4.190 4.320 0.001 0.000 0.197 71 K C 1.777 178.513 176.600 0.227 0.000 1.043 71 K CA 1.503 57.854 56.287 0.107 0.000 0.944 71 K CB -0.476 32.070 32.500 0.077 0.000 0.770 71 K HN 0.788 nan 8.250 nan 0.000 0.480 72 E N -0.715 119.582 120.200 0.160 0.000 2.498 72 E HA 0.242 4.593 4.350 0.001 0.000 0.203 72 E C -0.102 176.440 176.600 -0.097 0.000 1.013 72 E CA -0.157 56.372 56.400 0.214 0.000 0.927 72 E CB 0.263 30.022 29.700 0.098 0.000 1.012 72 E HN 0.656 nan 8.360 nan 0.000 0.482 73 I N 1.770 122.275 120.570 -0.109 0.000 2.416 73 I HA 0.195 4.365 4.170 0.001 0.000 0.288 73 I C 0.631 176.562 176.117 -0.310 0.000 1.051 73 I CA -0.652 60.521 61.300 -0.212 0.000 1.375 73 I CB 0.986 38.929 38.000 -0.096 0.000 1.407 73 I HN -0.142 nan 8.210 nan 0.000 0.516 74 A N 5.033 127.601 122.820 -0.420 0.000 2.386 74 A HA 0.450 4.771 4.320 0.001 0.000 0.248 74 A C 1.590 179.146 177.584 -0.047 0.000 1.082 74 A CA 0.175 51.990 52.037 -0.371 0.000 0.789 74 A CB 0.358 19.177 19.000 -0.301 0.000 1.025 74 A HN 0.922 nan 8.150 nan 0.000 0.490 75 R N 0.429 120.941 120.500 0.020 0.000 2.159 75 R HA -0.015 4.325 4.340 0.001 0.000 0.237 75 R C 2.028 178.310 176.300 -0.031 0.000 1.131 75 R CA 2.592 58.707 56.100 0.025 0.000 0.982 75 R CB -1.973 28.356 30.300 0.049 0.000 0.868 75 R HN 1.214 nan 8.270 nan 0.000 0.453 76 E N -0.310 119.824 120.200 -0.111 0.000 2.160 76 E HA -0.176 4.175 4.350 0.001 0.000 0.195 76 E C 1.722 178.144 176.600 -0.297 0.000 0.991 76 E CA 1.403 57.657 56.400 -0.242 0.000 0.810 76 E CB -0.692 28.774 29.700 -0.390 0.000 0.742 76 E HN 0.935 nan 8.360 nan 0.000 0.466 77 Y N -1.973 118.304 120.300 -0.039 0.000 2.457 77 Y HA 0.441 4.991 4.550 0.001 0.000 0.263 77 Y C 1.302 177.184 175.900 -0.030 0.000 1.164 77 Y CA -0.202 57.875 58.100 -0.038 0.000 1.274 77 Y CB -0.150 38.272 38.460 -0.063 0.000 1.097 77 Y HN 0.419 nan 8.280 nan 0.000 0.523 88 P HA 0.650 nan 4.420 nan 0.000 0.279 88 P C 0.087 177.392 177.300 0.007 0.000 1.252 88 P CA -0.223 62.883 63.100 0.010 0.000 0.811 88 P CB 0.856 32.563 31.700 0.011 0.000 1.035 89 N N -0.605 118.099 118.700 0.005 0.000 2.530 89 N HA 0.424 5.164 4.740 0.001 0.000 0.277 89 N C 1.381 176.889 175.510 -0.004 0.000 1.168 89 N CA -0.087 52.965 53.050 0.002 0.000 0.979 89 N CB 0.099 38.589 38.487 0.005 0.000 1.141 89 N HN 0.552 nan 8.380 nan 0.000 0.459 90 I N 0.024 120.586 120.570 -0.012 0.000 2.567 90 I HA 0.052 4.222 4.170 0.001 0.000 0.257 90 I C 2.687 178.792 176.117 -0.020 0.000 1.184 90 I CA 2.429 63.713 61.300 -0.027 0.000 1.451 90 I CB -2.130 35.839 38.000 -0.051 0.000 1.089 90 I HN 1.032 nan 8.210 nan 0.000 0.441 91 K N 0.349 120.743 120.400 -0.009 0.000 2.209 91 K HA -0.218 4.103 4.320 0.001 0.000 0.204 91 K C 1.697 178.296 176.600 -0.002 0.000 1.048 91 K CA 1.688 57.973 56.287 -0.004 0.000 0.940 91 K CB -1.061 31.441 32.500 0.002 0.000 0.729 91 K HN 0.845 nan 8.250 nan 0.000 0.451 92 D N -0.438 119.961 120.400 -0.000 0.000 2.333 92 D HA 0.012 4.653 4.640 0.001 0.000 0.208 92 D C 1.671 177.974 176.300 0.005 0.000 0.984 92 D CA 0.898 54.900 54.000 0.003 0.000 0.873 92 D CB 0.603 41.406 40.800 0.005 0.000 0.935 92 D HN 0.263 nan 8.370 nan 0.000 0.521 93 V N 1.199 121.113 119.914 0.001 0.000 2.492 93 V HA 0.061 4.181 4.120 0.001 0.000 0.241 93 V C 1.148 177.244 176.094 0.004 0.000 1.041 93 V CA 0.824 63.126 62.300 0.005 0.000 1.057 93 V CB -0.302 31.521 31.823 -0.000 0.000 0.711 93 V HN 0.180 nan 8.190 nan 0.000 0.468 94 L N 1.836 123.052 121.223 -0.011 0.000 2.322 94 L HA 0.809 5.150 4.340 0.001 0.000 0.279 94 L C 0.325 177.190 176.870 -0.008 0.000 1.036 94 L CA -1.046 53.785 54.840 -0.016 0.000 0.807 94 L CB 0.548 42.581 42.059 -0.045 0.000 1.226 94 L HN 0.549 nan 8.230 nan 0.000 0.433 95 R N 1.629 122.128 120.500 -0.002 0.000 2.368 95 R HA 0.716 5.057 4.340 0.001 0.000 0.302 95 R C -0.005 176.293 176.300 -0.003 0.000 1.002 95 R CA 0.301 56.402 56.100 0.001 0.000 0.929 95 R CB 0.697 31.002 30.300 0.008 0.000 1.073 95 R HN 1.039 nan 8.270 nan 0.000 0.464 96 E N 1.513 121.711 120.200 -0.003 0.000 2.480 96 E HA 0.254 4.605 4.350 0.001 0.000 0.258 96 E C 1.199 177.800 176.600 0.001 0.000 0.984 96 E CA 0.244 56.641 56.400 -0.004 0.000 0.930 96 E CB -0.207 29.490 29.700 -0.005 0.000 0.936 96 E HN 1.060 nan 8.360 nan 0.000 0.466 97 G N 1.532 110.333 108.800 0.002 0.000 2.132 97 G HA2 -0.268 3.693 3.960 0.001 0.000 0.234 97 G HA3 -0.268 3.693 3.960 0.001 0.000 0.234 97 G C 0.408 175.318 174.900 0.017 0.000 0.989 97 G CA 0.399 45.507 45.100 0.012 0.000 0.676 97 G HN 0.978 nan 8.290 nan 0.000 0.522 98 Q N 0.620 120.425 119.800 0.008 0.000 2.288 98 Q HA 0.564 4.904 4.340 0.001 0.000 0.254 98 Q C 0.447 176.450 176.000 0.005 0.000 0.932 98 Q CA 0.500 56.309 55.803 0.010 0.000 0.902 98 Q CB 0.473 29.211 28.738 0.001 0.000 1.203 98 Q HN 0.719 nan 8.270 nan 0.000 0.415 99 E N 2.010 122.226 120.200 0.026 0.000 2.313 99 E HA 0.546 4.897 4.350 0.001 0.000 0.272 99 E C -1.192 175.413 176.600 0.007 0.000 1.038 99 E CA -0.417 56.001 56.400 0.030 0.000 0.863 99 E CB 1.773 31.513 29.700 0.066 0.000 1.060 99 E HN 0.483 nan 8.360 nan 0.000 0.402 100 V N 2.327 122.222 119.914 -0.031 0.000 2.882 100 V HA 0.282 4.402 4.120 0.001 0.000 0.295 100 V C -0.608 175.449 176.094 -0.062 0.000 1.273 100 V CA -0.656 61.565 62.300 -0.133 0.000 0.949 100 V CB 1.830 33.419 31.823 -0.390 0.000 1.071 100 V HN 0.821 nan 8.190 nan 0.000 0.432 101 I N 4.468 125.062 120.570 0.041 0.000 2.452 101 I HA 0.438 4.608 4.170 0.001 0.000 0.287 101 I C -0.368 175.786 176.117 0.062 0.000 1.079 101 I CA -0.109 61.240 61.300 0.082 0.000 1.387 101 I CB 0.937 39.047 38.000 0.184 0.000 1.404 101 I HN 0.235 nan 8.210 nan 0.000 0.522 102 V N 6.295 126.244 119.914 0.059 0.000 2.686 102 V HA 0.354 4.475 4.120 0.001 0.000 0.306 102 V C -0.396 175.752 176.094 0.090 0.000 1.065 102 V CA -0.606 61.715 62.300 0.036 0.000 0.894 102 V CB 1.936 33.755 31.823 -0.006 0.000 1.004 102 V HN 0.764 nan 8.190 nan 0.000 0.424 103 Q N 3.451 123.289 119.800 0.064 0.000 2.309 103 Q HA 0.640 4.981 4.340 0.001 0.000 0.264 103 Q C -1.095 174.918 176.000 0.022 0.000 1.008 103 Q CA -0.773 55.072 55.803 0.071 0.000 0.853 103 Q CB 1.981 30.767 28.738 0.080 0.000 1.314 103 Q HN 0.737 nan 8.270 nan 0.000 0.448 104 I N 3.962 124.544 120.570 0.020 0.000 2.452 104 I HA -0.033 4.137 4.170 0.001 0.000 0.287 104 I C 0.528 176.651 176.117 0.010 0.000 1.079 104 I CA -0.154 61.131 61.300 -0.024 0.000 1.387 104 I CB 0.714 38.700 38.000 -0.023 0.000 1.404 104 I HN 0.759 nan 8.210 nan 0.000 0.522 105 D N 5.339 125.746 120.400 0.011 0.000 2.149 105 D HA 0.038 4.679 4.640 0.001 0.000 0.206 105 D C 0.210 176.521 176.300 0.019 0.000 0.967 105 D CA 1.425 55.440 54.000 0.024 0.000 0.848 105 D CB 0.418 41.239 40.800 0.036 0.000 0.998 105 D HN 0.473 nan 8.370 nan 0.000 0.474 106 K N 0.180 120.591 120.400 0.017 0.000 2.482 106 K HA 0.523 4.843 4.320 0.001 0.000 0.251 106 K C -0.316 176.297 176.600 0.021 0.000 0.936 106 K CA -0.456 55.842 56.287 0.017 0.000 0.791 106 K CB 2.078 34.587 32.500 0.014 0.000 1.213 106 K HN -0.055 nan 8.250 nan 0.000 0.428 107 E N 2.040 122.255 120.200 0.025 0.000 2.422 107 E HA -0.019 4.332 4.350 0.001 0.000 0.260 107 E C -0.371 176.254 176.600 0.041 0.000 1.108 107 E CA -0.057 56.366 56.400 0.038 0.000 0.943 107 E CB 0.133 29.854 29.700 0.035 0.000 0.961 107 E HN 0.631 nan 8.360 nan 0.000 0.443 108 E N -0.014 120.222 120.200 0.060 0.000 2.493 108 E HA 0.369 4.719 4.350 0.001 0.000 0.255 108 E C 0.311 176.932 176.600 0.035 0.000 0.999 108 E CA 0.546 56.981 56.400 0.058 0.000 0.934 108 E CB 0.250 29.995 29.700 0.076 0.000 0.940 108 E HN 0.602 nan 8.360 nan 0.000 0.473 109 R N 2.517 123.031 120.500 0.024 0.000 2.480 109 R HA 0.536 4.876 4.340 0.001 0.000 0.306 109 R C 0.684 176.989 176.300 0.008 0.000 0.958 109 R CA -0.018 56.089 56.100 0.012 0.000 0.861 109 R CB 0.856 31.157 30.300 0.001 0.000 1.171 109 R HN 0.815 nan 8.270 nan 0.000 0.445 110 G N 1.876 110.681 108.800 0.008 0.000 2.634 110 G HA2 -0.407 3.554 3.960 0.001 0.000 0.318 110 G HA3 -0.407 3.554 3.960 0.001 0.000 0.318 110 G C 0.873 175.779 174.900 0.011 0.000 1.207 110 G CA 1.188 46.292 45.100 0.006 0.000 0.987 110 G HN 0.765 nan 8.290 nan 0.000 0.547 111 N N 1.794 120.500 118.700 0.010 0.000 2.305 111 N HA 0.304 5.044 4.740 0.001 0.000 0.179 111 N C 1.585 177.114 175.510 0.032 0.000 1.019 111 N CA 1.818 54.878 53.050 0.017 0.000 0.869 111 N CB -0.452 38.043 38.487 0.013 0.000 1.000 111 N HN 1.105 nan 8.380 nan 0.000 0.431 112 K N 1.460 121.873 120.400 0.022 0.000 2.518 112 K HA 0.368 4.688 4.320 0.001 0.000 0.276 112 K C 0.917 177.563 176.600 0.075 0.000 0.974 112 K CA 0.398 56.705 56.287 0.034 0.000 0.986 112 K CB -0.797 31.683 32.500 -0.033 0.000 0.901 112 K HN 0.284 nan 8.250 nan 0.000 0.497 113 G N -0.296 108.592 108.800 0.145 0.000 2.651 113 G HA2 0.519 4.480 3.960 0.001 0.000 0.260 113 G HA3 0.519 4.480 3.960 0.001 0.000 0.260 113 G C 0.457 175.450 174.900 0.155 0.000 1.216 113 G CA 0.046 45.257 45.100 0.186 0.000 0.913 113 G HN 1.451 nan 8.290 nan 0.000 0.535 114 A N -0.563 122.365 122.820 0.180 0.000 2.445 114 A HA 0.590 4.911 4.320 0.001 0.000 0.242 114 A C 0.886 178.527 177.584 0.096 0.000 1.075 114 A CA 0.380 52.479 52.037 0.103 0.000 0.777 114 A CB 0.045 19.079 19.000 0.057 0.000 1.013 114 A HN 1.791 nan 8.150 nan 0.000 0.493 115 A N 1.857 124.715 122.820 0.064 0.000 2.409 115 A HA 0.570 4.890 4.320 0.001 0.000 0.262 115 A C -0.150 177.457 177.584 0.038 0.000 1.113 115 A CA -0.049 52.047 52.037 0.098 0.000 0.790 115 A CB -0.198 18.847 19.000 0.075 0.000 1.046 115 A HN 0.790 nan 8.150 nan 0.000 0.496 116 L N 1.660 122.904 121.223 0.035 0.000 2.362 116 L HA 0.699 5.039 4.340 0.001 0.000 0.271 116 L C 0.201 177.064 176.870 -0.013 0.000 1.002 116 L CA -0.529 54.292 54.840 -0.031 0.000 0.818 116 L CB 2.475 44.484 42.059 -0.083 0.000 1.298 116 L HN 0.750 nan 8.230 nan 0.000 0.420 117 T N -1.583 112.971 114.554 0.000 0.000 2.893 117 T HA 0.310 4.661 4.350 0.001 0.000 0.293 117 T C 0.647 175.342 174.700 -0.008 0.000 1.027 117 T CA -0.055 62.060 62.100 0.025 0.000 0.988 117 T CB 1.566 70.506 68.868 0.119 0.000 1.043 117 T HN 0.781 nan 8.240 nan 0.000 0.461 118 T N 1.533 116.028 114.554 -0.098 0.000 3.100 118 T HA 0.281 4.632 4.350 0.001 0.000 0.253 118 T C 0.386 175.016 174.700 -0.116 0.000 1.118 118 T CA -0.098 61.934 62.100 -0.114 0.000 1.058 118 T CB -0.529 68.213 68.868 -0.210 0.000 0.953 118 T HN 0.441 nan 8.240 nan 0.000 0.515 119 F N 1.929 121.909 119.950 0.050 0.000 2.533 119 F HA 0.466 4.993 4.527 0.001 0.000 0.378 119 F C 0.453 176.249 175.800 -0.007 0.000 1.070 119 F CA -1.500 56.504 58.000 0.006 0.000 1.172 119 F CB -0.091 38.904 39.000 -0.009 0.000 1.085 119 F HN 0.083 nan 8.300 nan 0.000 0.552 120 I N 2.908 123.531 120.570 0.089 0.000 2.493 120 I HA 0.406 4.577 4.170 0.001 0.000 0.298 120 I C -0.527 175.552 176.117 -0.062 0.000 0.998 120 I CA -0.544 60.770 61.300 0.024 0.000 1.137 120 I CB 1.962 39.990 38.000 0.047 0.000 1.310 120 I HN 0.567 nan 8.210 nan 0.000 0.445 121 S N 6.727 122.406 115.700 -0.035 0.000 2.594 121 S HA 0.651 5.122 4.470 0.001 0.000 0.296 121 S C -0.943 173.617 174.600 -0.067 0.000 1.124 121 S CA -0.833 57.326 58.200 -0.068 0.000 1.011 121 S CB 1.248 64.425 63.200 -0.037 0.000 1.016 121 S HN 0.463 nan 8.310 nan 0.000 0.485 122 L N 3.138 124.295 121.223 -0.110 0.000 2.283 122 L HA 0.621 4.962 4.340 0.001 0.000 0.281 122 L C 0.502 177.311 176.870 -0.102 0.000 1.033 122 L CA -0.742 54.015 54.840 -0.139 0.000 0.848 122 L CB 1.083 43.019 42.059 -0.204 0.000 1.226 122 L HN 0.937 nan 8.230 nan 0.000 0.429 123 A N 2.763 125.541 122.820 -0.070 0.000 2.409 123 A HA 0.640 4.961 4.320 0.001 0.000 0.267 123 A C 0.583 178.133 177.584 -0.056 0.000 1.127 123 A CA 0.218 52.223 52.037 -0.053 0.000 0.795 123 A CB 0.561 19.539 19.000 -0.036 0.000 1.061 123 A HN 0.759 nan 8.150 nan 0.000 0.502 124 G N 0.325 109.089 108.800 -0.060 0.000 3.008 124 G HA2 0.428 4.389 3.960 0.001 0.000 0.181 124 G HA3 0.428 4.389 3.960 0.001 0.000 0.181 124 G C 0.934 175.740 174.900 -0.156 0.000 1.309 124 G CA 0.483 45.539 45.100 -0.073 0.000 1.009 124 G HN 0.585 nan 8.290 nan 0.000 0.584 125 S N -1.201 114.328 115.700 -0.284 0.000 2.395 125 S HA 0.033 4.504 4.470 0.001 0.000 0.225 125 S C 1.596 175.798 174.600 -0.664 0.000 1.027 125 S CA 1.158 59.011 58.200 -0.580 0.000 0.965 125 S CB -0.234 62.418 63.200 -0.914 0.000 0.812 125 S HN 0.503 nan 8.310 nan 0.000 0.482 126 Y N -0.118 120.145 120.300 -0.061 0.000 2.467 126 Y HA 0.517 5.068 4.550 0.001 0.000 0.259 126 Y C 0.284 176.158 175.900 -0.043 0.000 1.084 126 Y CA -0.448 57.621 58.100 -0.051 0.000 1.275 126 Y CB 0.397 38.825 38.460 -0.053 0.000 1.208 126 Y HN 0.011 nan 8.280 nan 0.000 0.511 127 L N 0.451 121.710 121.223 0.061 0.000 2.381 127 L HA 0.667 5.008 4.340 0.001 0.000 0.268 127 L C -1.115 175.749 176.870 -0.011 0.000 0.997 127 L CA -1.140 53.720 54.840 0.033 0.000 0.818 127 L CB 2.704 44.789 42.059 0.044 0.000 1.310 127 L HN -0.385 nan 8.230 nan 0.000 0.416 128 V N 3.574 123.475 119.914 -0.021 0.000 2.326 128 V HA 0.266 4.387 4.120 0.001 0.000 0.281 128 V C -0.251 175.810 176.094 -0.055 0.000 1.015 128 V CA -0.502 61.773 62.300 -0.042 0.000 0.823 128 V CB 1.646 33.444 31.823 -0.041 0.000 1.009 128 V HN 0.417 nan 8.190 nan 0.000 0.436 129 L N 7.030 128.209 121.223 -0.072 0.000 2.313 129 L HA 0.430 4.771 4.340 0.001 0.000 0.282 129 L C 0.292 177.069 176.870 -0.155 0.000 1.092 129 L CA 0.430 55.207 54.840 -0.104 0.000 0.831 129 L CB 0.875 42.871 42.059 -0.105 0.000 1.159 129 L HN 0.534 nan 8.230 nan 0.000 0.442 130 M N 8.159 127.669 119.600 -0.149 0.000 3.266 130 M HA 0.275 4.755 4.480 0.001 0.000 0.260 130 M C -1.712 174.444 176.300 -0.239 0.000 1.319 130 M CA -1.857 53.343 55.300 -0.166 0.000 1.412 130 M CB 0.172 32.712 32.600 -0.101 0.000 1.113 130 M HN 0.353 nan 8.290 nan 0.000 0.588 131 P HA -0.095 nan 4.420 nan 0.000 0.228 131 P C 0.968 178.013 177.300 -0.425 0.000 1.151 131 P CA 1.278 64.016 63.100 -0.603 0.000 0.770 131 P CB 0.212 31.032 31.700 -1.467 0.000 0.786 132 N N 0.222 118.736 118.700 -0.310 0.000 2.402 132 N HA -0.026 4.715 4.740 0.001 0.000 0.174 132 N C 0.258 175.812 175.510 0.072 0.000 1.027 132 N CA 0.299 53.297 53.050 -0.086 0.000 0.891 132 N CB 0.021 38.501 38.487 -0.012 0.000 1.016 132 N HN 0.183 nan 8.380 nan 0.000 0.439 133 N N -0.717 118.030 118.700 0.078 0.000 2.310 133 N HA 0.250 4.990 4.740 0.001 0.000 0.292 133 N C -2.804 172.697 175.510 -0.015 0.000 1.049 133 N CA -1.250 51.853 53.050 0.089 0.000 0.849 133 N CB 2.989 41.551 38.487 0.125 0.000 1.532 133 N HN -0.125 nan 8.380 nan 0.000 0.479 134 P HA 0.174 nan 4.420 nan 0.000 0.261 134 P C 0.943 178.218 177.300 -0.042 0.000 1.268 134 P CA 0.216 63.298 63.100 -0.029 0.000 0.833 134 P CB 0.610 32.302 31.700 -0.014 0.000 1.231 135 R N 0.312 120.778 120.500 -0.057 0.000 2.193 135 R HA 0.201 4.541 4.340 0.001 0.000 0.213 135 R C 0.695 176.944 176.300 -0.085 0.000 1.055 135 R CA 0.492 56.550 56.100 -0.069 0.000 0.995 135 R CB -0.188 30.063 30.300 -0.081 0.000 0.893 135 R HN 0.070 nan 8.270 nan 0.000 0.459 136 A N -0.146 122.612 122.820 -0.104 0.000 2.276 136 A HA 0.693 5.014 4.320 0.001 0.000 0.316 136 A C -0.221 177.320 177.584 -0.071 0.000 1.229 136 A CA 0.053 52.032 52.037 -0.096 0.000 0.851 136 A CB 1.249 20.172 19.000 -0.127 0.000 1.165 136 A HN 0.359 nan 8.150 nan 0.000 0.513 137 G N -0.085 108.681 108.800 -0.057 0.000 2.313 137 G HA2 0.730 4.691 3.960 0.001 0.000 0.296 137 G HA3 0.730 4.691 3.960 0.001 0.000 0.296 137 G C 0.005 174.884 174.900 -0.035 0.000 1.356 137 G CA 0.587 45.661 45.100 -0.044 0.000 0.833 137 G HN 2.659 nan 8.290 nan 0.000 0.552 138 G N -2.155 106.629 108.800 -0.028 0.000 2.472 138 G HA2 0.502 4.462 3.960 0.001 0.000 0.205 138 G HA3 0.502 4.462 3.960 0.001 0.000 0.205 138 G C 0.074 174.962 174.900 -0.020 0.000 1.270 138 G CA 0.579 45.665 45.100 -0.023 0.000 0.974 138 G HN 2.444 nan 8.290 nan 0.000 0.542 139 I N -1.403 119.157 120.570 -0.018 0.000 2.493 139 I HA 1.039 5.209 4.170 0.001 0.000 0.298 139 I C 0.710 176.818 176.117 -0.016 0.000 0.998 139 I CA 0.402 61.693 61.300 -0.015 0.000 1.137 139 I CB 1.117 39.109 38.000 -0.013 0.000 1.310 139 I HN 2.696 nan 8.210 nan 0.000 0.445 149 T N 0.072 114.620 114.554 -0.010 0.000 2.821 149 T HA -0.034 4.317 4.350 0.001 0.000 0.267 149 T C 1.829 176.522 174.700 -0.012 0.000 1.046 149 T CA 1.786 63.880 62.100 -0.009 0.000 1.139 149 T CB -0.054 68.810 68.868 -0.007 0.000 0.871 149 T HN 0.555 nan 8.240 nan 0.000 0.454 150 E N 0.052 120.244 120.200 -0.014 0.000 2.318 150 E HA 0.312 4.662 4.350 0.001 0.000 0.193 150 E C 2.608 179.195 176.600 -0.022 0.000 0.998 150 E CA 0.687 57.077 56.400 -0.017 0.000 0.859 150 E CB -0.200 29.488 29.700 -0.019 0.000 0.812 150 E HN 0.512 nan 8.360 nan 0.000 0.492 151 L N 0.945 122.155 121.223 -0.022 0.000 2.141 151 L HA -0.013 4.328 4.340 0.001 0.000 0.209 151 L C 2.531 179.390 176.870 -0.019 0.000 1.094 151 L CA 2.409 57.235 54.840 -0.023 0.000 0.763 151 L CB -2.195 39.852 42.059 -0.020 0.000 0.908 151 L HN 0.285 nan 8.230 nan 0.000 0.437 152 K N 0.148 120.539 120.400 -0.016 0.000 2.211 152 K HA 0.057 4.377 4.320 0.001 0.000 0.203 152 K C 2.198 178.790 176.600 -0.014 0.000 1.050 152 K CA 2.074 58.353 56.287 -0.014 0.000 0.945 152 K CB -1.287 31.205 32.500 -0.012 0.000 0.732 152 K HN 0.933 nan 8.250 nan 0.000 0.451 153 E N 0.154 120.344 120.200 -0.015 0.000 2.170 153 E HA 0.383 4.733 4.350 0.001 0.000 0.191 153 E C 2.376 178.966 176.600 -0.017 0.000 0.981 153 E CA 1.157 57.549 56.400 -0.015 0.000 0.830 153 E CB -0.574 29.118 29.700 -0.014 0.000 0.775 153 E HN 0.762 nan 8.360 nan 0.000 0.470 154 A N 0.402 123.209 122.820 -0.022 0.000 1.930 154 A HA 0.350 4.671 4.320 0.001 0.000 0.215 154 A C 2.757 180.327 177.584 -0.022 0.000 1.176 154 A CA 2.090 54.111 52.037 -0.026 0.000 0.632 154 A CB -0.733 18.244 19.000 -0.038 0.000 0.819 154 A HN 1.173 nan 8.150 nan 0.000 0.445 155 L N -1.059 120.153 121.223 -0.020 0.000 2.141 155 L HA 0.277 4.618 4.340 0.001 0.000 0.209 155 L C 2.787 179.650 176.870 -0.012 0.000 1.094 155 L CA 2.410 57.241 54.840 -0.015 0.000 0.763 155 L CB -2.091 39.960 42.059 -0.014 0.000 0.908 155 L HN 0.638 nan 8.230 nan 0.000 0.437 156 A N -0.107 122.706 122.820 -0.012 0.000 2.119 156 A HA -0.005 4.316 4.320 0.001 0.000 0.217 156 A C 2.644 180.224 177.584 -0.007 0.000 1.153 156 A CA 1.672 53.703 52.037 -0.009 0.000 0.692 156 A CB -0.612 18.383 19.000 -0.009 0.000 0.799 156 A HN 1.148 nan 8.150 nan 0.000 0.458 157 S N -1.547 114.148 115.700 -0.009 0.000 2.528 157 S HA 0.408 4.879 4.470 0.001 0.000 0.219 157 S C 0.741 175.338 174.600 -0.003 0.000 0.985 157 S CA 0.403 58.599 58.200 -0.007 0.000 0.914 157 S CB -1.165 62.029 63.200 -0.010 0.000 0.776 157 S HN 0.990 nan 8.310 nan 0.000 0.526 158 L N 1.583 122.804 121.223 -0.003 0.000 2.380 158 L HA 0.854 5.194 4.340 0.001 0.000 0.273 158 L C 0.603 177.478 176.870 0.008 0.000 1.138 158 L CA -0.144 54.697 54.840 0.003 0.000 0.832 158 L CB -1.321 40.739 42.059 0.003 0.000 1.124 158 L HN 0.599 nan 8.230 nan 0.000 0.454 159 E N 3.448 123.657 120.200 0.015 0.000 1.861 159 E HA 0.507 4.858 4.350 0.001 0.000 0.263 159 E C -0.573 176.041 176.600 0.022 0.000 1.137 159 E CA -0.405 56.005 56.400 0.018 0.000 0.944 159 E CB 0.521 30.234 29.700 0.022 0.000 1.092 159 E HN 1.263 nan 8.360 nan 0.000 0.420 160 L N 3.081 124.313 121.223 0.016 0.000 2.282 160 L HA 0.625 4.966 4.340 0.001 0.000 0.288 160 L C -2.439 174.441 176.870 0.016 0.000 1.033 160 L CA -2.039 52.809 54.840 0.014 0.000 0.807 160 L CB 1.529 43.589 42.059 0.003 0.000 1.209 160 L HN 0.203 nan 8.230 nan 0.000 0.423 161 P HA 0.068 nan 4.420 nan 0.000 0.268 161 P C 0.394 177.706 177.300 0.019 0.000 1.208 161 P CA -0.091 63.027 63.100 0.030 0.000 0.777 161 P CB 0.593 32.324 31.700 0.051 0.000 0.875 162 E N 1.481 121.693 120.200 0.021 0.000 2.058 162 E HA -0.171 4.179 4.350 0.001 0.000 0.194 162 E C 1.823 178.429 176.600 0.010 0.000 0.997 162 E CA 1.577 57.985 56.400 0.014 0.000 0.801 162 E CB -0.692 29.017 29.700 0.015 0.000 0.746 162 E HN 0.686 nan 8.360 nan 0.000 0.450 163 G N 0.772 109.583 108.800 0.018 0.000 2.776 163 G HA2 0.007 3.968 3.960 0.001 0.000 0.209 163 G HA3 0.007 3.968 3.960 0.001 0.000 0.209 163 G C 0.676 175.575 174.900 -0.001 0.000 1.145 163 G CA 0.526 45.636 45.100 0.016 0.000 0.791 163 G HN 0.281 nan 8.290 nan 0.000 0.530 164 M N -1.429 118.161 119.600 -0.016 0.000 2.690 164 M HA 0.783 5.263 4.480 0.001 0.000 0.302 164 M C -0.193 176.079 176.300 -0.047 0.000 1.234 164 M CA -0.991 54.279 55.300 -0.051 0.000 0.853 164 M CB 2.132 34.675 32.600 -0.095 0.000 1.748 164 M HN -0.100 nan 8.290 nan 0.000 0.469 165 G N 0.133 108.895 108.800 -0.064 0.000 2.630 165 G HA2 0.908 4.868 3.960 0.001 0.000 0.296 165 G HA3 0.908 4.868 3.960 0.001 0.000 0.296 165 G C -1.793 173.069 174.900 -0.063 0.000 1.285 165 G CA -0.608 44.459 45.100 -0.055 0.000 0.958 165 G HN 1.134 nan 8.290 nan 0.000 0.479 166 L N -0.057 121.137 121.223 -0.048 0.000 2.424 166 L HA 0.907 5.248 4.340 0.001 0.000 0.258 166 L C -0.790 176.059 176.870 -0.035 0.000 0.995 166 L CA -1.098 53.717 54.840 -0.042 0.000 0.821 166 L CB 1.390 43.433 42.059 -0.027 0.000 1.383 166 L HN 0.679 nan 8.230 nan 0.000 0.410 167 I N 1.264 121.816 120.570 -0.031 0.000 2.474 167 I HA 0.649 4.819 4.170 0.001 0.000 0.294 167 I C -0.232 175.880 176.117 -0.008 0.000 1.005 167 I CA -1.397 59.889 61.300 -0.023 0.000 1.113 167 I CB 1.976 39.959 38.000 -0.029 0.000 1.289 167 I HN 0.445 nan 8.210 nan 0.000 0.436 168 V N 6.067 125.980 119.914 -0.002 0.000 2.408 168 V HA 0.294 4.414 4.120 0.001 0.000 0.267 168 V C 0.623 176.728 176.094 0.017 0.000 1.047 168 V CA -0.466 61.843 62.300 0.015 0.000 0.937 168 V CB 0.797 32.625 31.823 0.009 0.000 0.999 168 V HN 0.662 nan 8.190 nan 0.000 0.472 169 R N 2.718 123.237 120.500 0.032 0.000 2.893 169 R HA 0.140 4.480 4.340 0.001 0.000 0.279 169 R C 1.580 177.896 176.300 0.027 0.000 1.076 169 R CA 0.659 56.771 56.100 0.020 0.000 1.203 169 R CB 0.225 30.530 30.300 0.009 0.000 1.137 169 R HN 0.816 nan 8.270 nan 0.000 0.541 170 T N 0.683 115.246 114.554 0.014 0.000 2.821 170 T HA -0.166 4.184 4.350 0.001 0.000 0.267 170 T C 1.814 176.535 174.700 0.035 0.000 1.046 170 T CA 1.283 63.392 62.100 0.015 0.000 1.139 170 T CB -0.394 68.475 68.868 0.003 0.000 0.871 170 T HN 0.686 nan 8.240 nan 0.000 0.454 171 A N 1.708 124.554 122.820 0.043 0.000 1.923 171 A HA -0.173 4.148 4.320 0.001 0.000 0.222 171 A C 2.499 180.186 177.584 0.172 0.000 1.258 171 A CA 2.176 54.275 52.037 0.104 0.000 0.670 171 A CB -1.528 17.513 19.000 0.070 0.000 0.834 171 A HN 0.563 nan 8.150 nan 0.000 0.470 172 G N -1.509 107.384 108.800 0.155 0.000 2.776 172 G HA2 0.157 4.117 3.960 0.001 0.000 0.209 172 G HA3 0.157 4.117 3.960 0.001 0.000 0.209 172 G C 1.227 176.137 174.900 0.017 0.000 1.145 172 G CA 0.715 45.883 45.100 0.114 0.000 0.791 172 G HN 0.395 nan 8.290 nan 0.000 0.530 173 V N 1.101 121.029 119.914 0.024 0.000 2.278 173 V HA -0.103 4.017 4.120 0.001 0.000 0.251 173 V C 2.236 178.318 176.094 -0.021 0.000 1.062 173 V CA 2.249 64.549 62.300 0.001 0.000 1.038 173 V CB -0.310 31.518 31.823 0.009 0.000 0.646 173 V HN 0.375 nan 8.190 nan 0.000 0.447 174 G N -0.021 108.772 108.800 -0.012 0.000 4.198 174 G HA2 0.558 4.519 3.960 0.001 0.000 0.282 174 G HA3 0.558 4.519 3.960 0.001 0.000 0.282 174 G C -0.192 174.595 174.900 -0.189 0.000 1.262 174 G CA 0.515 45.584 45.100 -0.050 0.000 1.473 174 G HN 0.708 nan 8.290 nan 0.000 0.624 175 K N 0.328 120.585 120.400 -0.238 0.000 2.397 175 K HA 0.772 5.093 4.320 0.001 0.000 0.253 175 K C 0.405 176.876 176.600 -0.216 0.000 0.932 175 K CA -0.590 55.468 56.287 -0.382 0.000 0.795 175 K CB 1.165 33.379 32.500 -0.477 0.000 1.159 175 K HN 0.442 nan 8.250 nan 0.000 0.424 176 S N 0.333 115.913 115.700 -0.200 0.000 2.624 176 S HA 0.510 4.981 4.470 0.001 0.000 0.263 176 S C 1.630 176.155 174.600 -0.126 0.000 1.287 176 S CA -0.173 57.950 58.200 -0.129 0.000 0.990 176 S CB 1.457 64.597 63.200 -0.101 0.000 0.950 176 S HN 1.173 nan 8.310 nan 0.000 0.561 177 A N 0.857 123.628 122.820 -0.082 0.000 1.930 177 A HA 0.099 4.419 4.320 0.001 0.000 0.217 177 A C 2.278 179.827 177.584 -0.058 0.000 1.175 177 A CA 1.559 53.558 52.037 -0.064 0.000 0.627 177 A CB -1.730 17.245 19.000 -0.042 0.000 0.815 177 A HN 1.016 nan 8.150 nan 0.000 0.443 178 E N -0.333 119.834 120.200 -0.056 0.000 2.150 178 E HA 0.112 4.463 4.350 0.001 0.000 0.193 178 E C 2.148 178.715 176.600 -0.056 0.000 0.985 178 E CA 1.675 58.050 56.400 -0.043 0.000 0.814 178 E CB -0.944 28.734 29.700 -0.036 0.000 0.752 178 E HN 0.925 nan 8.360 nan 0.000 0.466 179 A N 0.112 122.874 122.820 -0.096 0.000 1.970 179 A HA 0.192 4.512 4.320 0.001 0.000 0.216 179 A C 2.450 179.956 177.584 -0.130 0.000 1.170 179 A CA 1.162 53.120 52.037 -0.132 0.000 0.645 179 A CB -0.206 18.663 19.000 -0.217 0.000 0.816 179 A HN 0.435 nan 8.150 nan 0.000 0.447 180 L N -0.862 120.282 121.223 -0.132 0.000 2.056 180 L HA -0.237 4.104 4.340 0.001 0.000 0.207 180 L C 2.816 179.679 176.870 -0.012 0.000 1.078 180 L CA 1.469 56.266 54.840 -0.071 0.000 0.749 180 L CB -0.573 41.444 42.059 -0.071 0.000 0.901 180 L HN 0.446 nan 8.230 nan 0.000 0.433 181 Q N -0.876 118.915 119.800 -0.014 0.000 2.181 181 Q HA -0.286 4.054 4.340 0.001 0.000 0.205 181 Q C 2.441 178.463 176.000 0.037 0.000 0.980 181 Q CA 2.445 58.257 55.803 0.015 0.000 0.862 181 Q CB -0.424 28.321 28.738 0.012 0.000 0.905 181 Q HN 0.765 nan 8.270 nan 0.000 0.429 182 W N 1.037 122.340 121.300 0.006 0.000 2.436 182 W HA -0.123 4.537 4.660 0.001 0.000 0.284 182 W C 1.683 178.158 176.519 -0.074 0.000 1.225 182 W CA 1.180 58.513 57.345 -0.019 0.000 1.271 182 W CB -0.435 28.976 29.460 -0.081 0.000 1.114 182 W HN 0.164 nan 8.180 nan 0.000 0.559 183 D N 0.294 120.681 120.400 -0.023 0.000 2.120 183 D HA -0.034 4.607 4.640 0.001 0.000 0.202 183 D C 2.605 178.961 176.300 0.093 0.000 0.972 183 D CA 2.617 56.623 54.000 0.010 0.000 0.837 183 D CB -0.666 40.207 40.800 0.122 0.000 0.989 183 D HN 0.408 nan 8.370 nan 0.000 0.469 184 L N 0.665 121.939 121.223 0.086 0.000 2.127 184 L HA -0.096 4.244 4.340 0.001 0.000 0.211 184 L C 2.667 179.618 176.870 0.135 0.000 1.089 184 L CA 2.769 57.662 54.840 0.089 0.000 0.757 184 L CB -1.932 40.163 42.059 0.059 0.000 0.899 184 L HN 0.396 nan 8.230 nan 0.000 0.434 185 S N -2.658 113.150 115.700 0.180 0.000 2.414 185 S HA -0.076 4.394 4.470 0.001 0.000 0.227 185 S C 2.033 176.809 174.600 0.293 0.000 1.022 185 S CA 1.028 59.354 58.200 0.210 0.000 0.958 185 S CB -0.751 62.574 63.200 0.209 0.000 0.797 185 S HN 0.542 nan 8.310 nan 0.000 0.493 186 F N 2.841 122.832 119.950 0.069 0.000 2.293 186 F HA 0.180 4.707 4.527 0.001 0.000 0.300 186 F C 2.638 178.498 175.800 0.099 0.000 1.086 186 F CA 0.411 58.461 58.000 0.083 0.000 1.375 186 F CB -0.180 38.866 39.000 0.077 0.000 1.045 186 F HN 0.125 nan 8.300 nan 0.000 0.516 187 R N -0.026 120.624 120.500 0.250 0.000 2.073 187 R HA -0.048 4.292 4.340 0.001 0.000 0.229 187 R C 2.272 178.687 176.300 0.192 0.000 1.120 187 R CA 0.961 57.148 56.100 0.145 0.000 0.967 187 R CB -1.158 29.180 30.300 0.064 0.000 0.862 187 R HN 0.337 nan 8.270 nan 0.000 0.436 188 L N 1.358 122.692 121.223 0.185 0.000 2.056 188 L HA -0.145 4.196 4.340 0.001 0.000 0.207 188 L C 3.100 180.093 176.870 0.206 0.000 1.078 188 L CA 1.986 56.951 54.840 0.209 0.000 0.749 188 L CB -0.754 41.397 42.059 0.153 0.000 0.901 188 L HN 0.226 nan 8.230 nan 0.000 0.433 189 K N -0.456 120.028 120.400 0.140 0.000 2.148 189 K HA -0.246 4.074 4.320 0.001 0.000 0.204 189 K C 1.798 178.450 176.600 0.086 0.000 1.050 189 K CA 1.796 58.119 56.287 0.060 0.000 0.942 189 K CB -1.343 31.126 32.500 -0.052 0.000 0.724 189 K HN 0.583 nan 8.250 nan 0.000 0.446 190 H N -1.993 117.104 119.070 0.046 0.000 2.333 190 H HA -0.057 4.499 4.556 0.001 0.000 0.302 190 H C 2.123 177.506 175.328 0.093 0.000 1.075 190 H CA 1.570 57.644 56.048 0.043 0.000 1.348 190 H CB -0.095 29.693 29.762 0.043 0.000 1.393 190 H HN 0.668 nan 8.280 nan 0.000 0.509 191 W N 1.900 123.321 121.300 0.202 0.000 2.363 191 W HA -0.162 4.498 4.660 0.001 0.000 0.296 191 W C 1.417 177.976 176.519 0.066 0.000 1.212 191 W CA 1.285 58.707 57.345 0.128 0.000 1.260 191 W CB 0.105 29.609 29.460 0.074 0.000 1.131 191 W HN 0.367 nan 8.180 nan 0.000 0.530 192 E N 0.468 120.633 120.200 -0.058 0.000 2.110 192 E HA -0.188 4.163 4.350 0.001 0.000 0.193 192 E C 2.287 178.758 176.600 -0.215 0.000 0.988 192 E CA 1.538 57.825 56.400 -0.189 0.000 0.804 192 E CB -0.552 29.114 29.700 -0.056 0.000 0.745 192 E HN 0.334 nan 8.360 nan 0.000 0.458 193 A N 0.754 123.484 122.820 -0.149 0.000 2.016 193 A HA -0.024 4.296 4.320 0.001 0.000 0.217 193 A C 2.181 179.665 177.584 -0.166 0.000 1.162 193 A CA 0.350 52.298 52.037 -0.149 0.000 0.662 193 A CB -0.335 18.575 19.000 -0.151 0.000 0.812 193 A HN 0.106 nan 8.150 nan 0.000 0.450 194 I N 0.440 120.892 120.570 -0.196 0.000 2.202 194 I HA -0.278 3.893 4.170 0.001 0.000 0.242 194 I C 2.460 178.430 176.117 -0.245 0.000 1.091 194 I CA 1.883 63.082 61.300 -0.168 0.000 1.368 194 I CB -0.094 37.860 38.000 -0.078 0.000 1.058 194 I HN 0.447 nan 8.210 nan 0.000 0.410 195 K N 0.945 121.065 120.400 -0.466 0.000 2.366 195 K HA -0.004 4.317 4.320 0.001 0.000 0.198 195 K C 2.077 178.562 176.600 -0.193 0.000 1.044 195 K CA 1.035 57.090 56.287 -0.386 0.000 0.973 195 K CB -0.269 31.877 32.500 -0.591 0.000 0.767 195 K HN 0.174 nan 8.250 nan 0.000 0.475 196 K N 1.478 121.777 120.400 -0.168 0.000 2.116 196 K HA 0.211 4.532 4.320 0.001 0.000 0.203 196 K C 2.160 178.736 176.600 -0.040 0.000 1.052 196 K CA 0.999 57.229 56.287 -0.095 0.000 0.952 196 K CB -0.605 31.838 32.500 -0.095 0.000 0.729 196 K HN 0.351 nan 8.250 nan 0.000 0.446 197 A N 0.590 123.400 122.820 -0.016 0.000 2.067 197 A HA 0.478 4.798 4.320 0.001 0.000 0.217 197 A C 2.620 180.339 177.584 0.225 0.000 1.156 197 A CA 1.384 53.464 52.037 0.071 0.000 0.683 197 A CB -0.359 18.701 19.000 0.099 0.000 0.808 197 A HN 0.694 nan 8.150 nan 0.000 0.455 198 A N 0.188 123.109 122.820 0.168 0.000 1.898 198 A HA -0.048 4.273 4.320 0.001 0.000 0.214 198 A C 1.746 179.434 177.584 0.173 0.000 1.183 198 A CA 1.257 53.435 52.037 0.235 0.000 0.622 198 A CB -0.391 18.652 19.000 0.072 0.000 0.824 198 A HN 0.541 nan 8.150 nan 0.000 0.444 199 E N 0.038 120.277 120.200 0.066 0.000 2.472 199 E HA -0.036 4.314 4.350 0.001 0.000 0.200 199 E C 1.744 178.363 176.600 0.033 0.000 1.046 199 E CA 0.763 57.185 56.400 0.037 0.000 0.871 199 E CB -0.135 29.562 29.700 -0.005 0.000 0.806 199 E HN 0.706 nan 8.360 nan 0.000 0.533 200 S N 0.601 116.321 115.700 0.033 0.000 2.539 200 S HA 0.221 4.692 4.470 0.001 0.000 0.221 200 S C 0.669 175.240 174.600 -0.049 0.000 0.987 200 S CA -0.320 57.871 58.200 -0.016 0.000 0.929 200 S CB 0.444 63.621 63.200 -0.039 0.000 0.832 200 S HN -0.069 nan 8.310 nan 0.000 0.492 201 R N 0.482 120.970 120.500 -0.019 0.000 2.739 201 R HA 0.515 4.856 4.340 0.001 0.000 0.271 201 R C -3.108 173.227 176.300 0.058 0.000 1.010 201 R CA -1.568 54.473 56.100 -0.097 0.000 0.897 201 R CB 1.339 31.355 30.300 -0.474 0.000 1.236 201 R HN -0.006 nan 8.270 nan 0.000 0.466 202 P HA 0.103 nan 4.420 nan 0.000 0.272 202 P C -0.607 176.858 177.300 0.275 0.000 1.254 202 P CA 0.015 63.185 63.100 0.116 0.000 0.795 202 P CB 0.617 32.355 31.700 0.062 0.000 1.022 203 A N 0.959 123.920 122.820 0.235 0.000 2.095 203 A HA 0.113 4.434 4.320 0.001 0.000 0.212 203 A C -0.964 176.756 177.584 0.227 0.000 1.162 203 A CA 0.749 52.929 52.037 0.238 0.000 0.753 203 A CB -1.683 17.395 19.000 0.130 0.000 0.840 203 A HN 0.443 nan 8.150 nan 0.000 0.468 204 P HA 0.083 nan 4.420 nan 0.000 0.249 204 P C 0.335 177.768 177.300 0.222 0.000 1.229 204 P CA 0.016 63.224 63.100 0.180 0.000 0.788 204 P CB -0.437 31.342 31.700 0.131 0.000 1.072 205 F N -0.306 119.724 119.950 0.134 0.000 2.368 205 F HA 0.510 5.038 4.527 0.001 0.000 0.308 205 F C 0.250 176.230 175.800 0.300 0.000 1.198 205 F CA -1.787 56.313 58.000 0.167 0.000 1.130 205 F CB -0.049 39.014 39.000 0.105 0.000 1.300 205 F HN -0.304 nan 8.300 nan 0.000 0.537 206 L N 1.887 123.335 121.223 0.374 0.000 2.307 206 L HA 0.416 4.756 4.340 0.001 0.000 0.282 206 L C -0.419 176.509 176.870 0.095 0.000 1.051 206 L CA -0.195 54.736 54.840 0.152 0.000 0.804 206 L CB 0.927 43.084 42.059 0.165 0.000 1.197 206 L HN 0.848 nan 8.230 nan 0.000 0.431 207 I N 2.100 122.616 120.570 -0.091 0.000 2.899 207 I HA 0.172 4.342 4.170 0.001 0.000 0.257 207 I C -0.221 175.966 176.117 0.116 0.000 1.115 207 I CA -0.045 61.291 61.300 0.060 0.000 1.451 207 I CB 0.133 38.136 38.000 0.006 0.000 1.251 207 I HN 0.699 nan 8.210 nan 0.000 0.456 208 H N 1.055 120.086 119.070 -0.064 0.000 2.689 208 H HA 0.428 4.985 4.556 0.001 0.000 0.346 208 H C -0.779 174.533 175.328 -0.026 0.000 1.037 208 H CA -0.762 55.304 56.048 0.030 0.000 1.234 208 H CB 1.328 31.187 29.762 0.161 0.000 1.572 208 H HN -0.005 nan 8.280 nan 0.000 0.524 209 Q N 3.722 123.240 119.800 -0.471 0.000 2.340 209 Q HA 0.178 4.519 4.340 0.001 0.000 0.259 209 Q C 0.549 176.169 176.000 -0.633 0.000 0.964 209 Q CA -0.520 55.040 55.803 -0.405 0.000 0.900 209 Q CB 1.462 30.121 28.738 -0.131 0.000 1.228 209 Q HN 0.787 nan 8.270 nan 0.000 0.449 210 E N 2.574 122.507 120.200 -0.445 0.000 2.274 210 E HA -0.121 4.230 4.350 0.001 0.000 0.194 210 E C 0.846 177.358 176.600 -0.147 0.000 0.996 210 E CA 1.729 57.964 56.400 -0.275 0.000 0.840 210 E CB 0.229 29.883 29.700 -0.077 0.000 0.772 210 E HN 0.585 nan 8.360 nan 0.000 0.491 211 S N -0.745 114.862 115.700 -0.155 0.000 2.691 211 S HA 0.045 4.516 4.470 0.001 0.000 0.258 211 S C -0.047 174.481 174.600 -0.120 0.000 1.078 211 S CA 0.016 58.157 58.200 -0.097 0.000 1.000 211 S CB -0.966 62.196 63.200 -0.063 0.000 0.942 211 S HN 0.344 nan 8.310 nan 0.000 0.521 212 N N 2.568 121.165 118.700 -0.171 0.000 2.414 212 N HA 0.039 4.780 4.740 0.001 0.000 0.268 212 N C 0.790 176.143 175.510 -0.261 0.000 1.286 212 N CA 0.390 53.312 53.050 -0.213 0.000 0.896 212 N CB 1.188 39.502 38.487 -0.288 0.000 1.093 212 N HN 0.153 nan 8.380 nan 0.000 0.480 213 V N 3.506 123.307 119.914 -0.188 0.000 3.241 213 V HA -0.079 4.042 4.120 0.001 0.000 0.269 213 V C 1.340 177.307 176.094 -0.212 0.000 1.151 213 V CA 1.141 63.349 62.300 -0.153 0.000 1.158 213 V CB -0.854 30.906 31.823 -0.105 0.000 0.764 213 V HN 0.802 nan 8.190 nan 0.000 0.508 214 I N -0.664 119.717 120.570 -0.316 0.000 2.439 214 I HA -0.095 4.075 4.170 0.001 0.000 0.251 214 I C 2.355 178.140 176.117 -0.553 0.000 1.139 214 I CA 1.159 62.162 61.300 -0.494 0.000 1.438 214 I CB -0.203 37.500 38.000 -0.496 0.000 1.085 214 I HN 0.200 nan 8.210 nan 0.000 0.427 215 V N 1.071 120.780 119.914 -0.342 0.000 2.407 215 V HA -0.310 3.810 4.120 0.001 0.000 0.248 215 V C 3.130 179.226 176.094 0.003 0.000 1.055 215 V CA 2.408 64.645 62.300 -0.105 0.000 1.049 215 V CB -1.146 30.641 31.823 -0.060 0.000 0.662 215 V HN 0.533 nan 8.190 nan 0.000 0.455 216 R N 0.143 120.621 120.500 -0.038 0.000 2.066 216 R HA -0.028 4.312 4.340 0.001 0.000 0.232 216 R C 2.357 178.733 176.300 0.126 0.000 1.131 216 R CA 2.000 58.122 56.100 0.037 0.000 0.955 216 R CB -1.487 28.825 30.300 0.020 0.000 0.851 216 R HN 0.601 nan 8.270 nan 0.000 0.432 217 A N 0.279 123.149 122.820 0.084 0.000 1.883 217 A HA -0.015 4.305 4.320 0.001 0.000 0.217 217 A C 2.383 180.219 177.584 0.420 0.000 1.186 217 A CA 1.519 53.708 52.037 0.254 0.000 0.624 217 A CB -0.637 18.348 19.000 -0.025 0.000 0.822 217 A HN 0.619 nan 8.150 nan 0.000 0.444 218 F N -1.104 118.965 119.950 0.198 0.000 2.293 218 F HA -0.108 4.419 4.527 0.001 0.000 0.300 218 F C 2.641 178.566 175.800 0.209 0.000 1.086 218 F CA 0.992 59.114 58.000 0.204 0.000 1.375 218 F CB -0.049 39.065 39.000 0.191 0.000 1.045 218 F HN 0.197 nan 8.300 nan 0.000 0.516 219 R N 0.411 121.114 120.500 0.338 0.000 2.153 219 R HA -0.100 4.241 4.340 0.001 0.000 0.218 219 R C 0.780 177.121 176.300 0.068 0.000 1.072 219 R CA 1.431 57.659 56.100 0.214 0.000 0.990 219 R CB -0.006 30.387 30.300 0.154 0.000 0.889 219 R HN 0.169 nan 8.270 nan 0.000 0.452 220 D N -1.802 118.611 120.400 0.023 0.000 2.423 220 D HA 0.024 4.664 4.640 0.001 0.000 0.212 220 D C 0.501 176.542 176.300 -0.431 0.000 1.060 220 D CA 0.708 54.522 54.000 -0.310 0.000 0.872 220 D CB 0.339 40.810 40.800 -0.549 0.000 1.012 220 D HN 0.231 nan 8.370 nan 0.000 0.503 221 Y N -0.043 120.300 120.300 0.072 0.000 2.430 221 Y HA 0.352 4.903 4.550 0.001 0.000 0.254 221 Y C 0.823 176.784 175.900 0.101 0.000 1.088 221 Y CA -0.372 57.771 58.100 0.072 0.000 1.267 221 Y CB 0.840 39.336 38.460 0.060 0.000 1.204 221 Y HN -0.206 nan 8.280 nan 0.000 0.515 222 L N 1.930 123.315 121.223 0.270 0.000 2.439 222 L HA 0.318 4.659 4.340 0.001 0.000 0.269 222 L C -0.368 176.575 176.870 0.121 0.000 1.179 222 L CA 0.325 55.297 54.840 0.221 0.000 0.828 222 L CB 0.775 42.998 42.059 0.273 0.000 1.106 222 L HN 0.225 nan 8.230 nan 0.000 0.467 223 R N 0.775 121.351 120.500 0.126 0.000 2.756 223 R HA 0.149 4.490 4.340 0.001 0.000 0.273 223 R C -0.149 176.231 176.300 0.132 0.000 1.030 223 R CA -0.831 55.308 56.100 0.066 0.000 0.887 223 R CB 0.282 30.580 30.300 -0.004 0.000 1.274 223 R HN 0.304 nan 8.270 nan 0.000 0.461 224 Q N 1.011 120.882 119.800 0.119 0.000 2.364 224 Q HA -0.097 4.243 4.340 0.001 0.000 0.207 224 Q C 0.019 176.073 176.000 0.090 0.000 0.970 224 Q CA 1.626 57.510 55.803 0.134 0.000 0.888 224 Q CB 0.066 28.874 28.738 0.116 0.000 0.951 224 Q HN 0.595 nan 8.270 nan 0.000 0.469 225 D N -1.345 119.101 120.400 0.076 0.000 2.342 225 D HA 0.044 4.685 4.640 0.001 0.000 0.221 225 D C 0.309 176.651 176.300 0.069 0.000 1.101 225 D CA -0.151 53.886 54.000 0.062 0.000 0.837 225 D CB -0.160 40.670 40.800 0.051 0.000 0.938 225 D HN 0.121 nan 8.370 nan 0.000 0.508 226 I N 1.174 121.791 120.570 0.078 0.000 2.322 226 I HA 0.257 4.427 4.170 0.001 0.000 0.292 226 I C 1.637 177.785 176.117 0.053 0.000 1.060 226 I CA -0.476 60.867 61.300 0.071 0.000 1.309 226 I CB 1.686 39.735 38.000 0.081 0.000 1.415 226 I HN 0.029 nan 8.210 nan 0.000 0.492 227 G N 5.662 114.491 108.800 0.048 0.000 2.396 227 G HA2 -0.006 3.954 3.960 0.001 0.000 0.214 227 G HA3 -0.006 3.954 3.960 0.001 0.000 0.214 227 G C 0.486 175.409 174.900 0.038 0.000 1.166 227 G CA 0.355 45.481 45.100 0.044 0.000 0.793 227 G HN 0.597 nan 8.290 nan 0.000 0.533 228 E N -1.336 118.885 120.200 0.036 0.000 2.393 228 E HA 0.603 4.954 4.350 0.001 0.000 0.273 228 E C -1.461 175.155 176.600 0.027 0.000 0.918 228 E CA -0.694 55.728 56.400 0.036 0.000 0.773 228 E CB 2.611 32.344 29.700 0.055 0.000 1.275 228 E HN 0.026 nan 8.360 nan 0.000 0.451 229 I N 2.695 123.288 120.570 0.037 0.000 2.466 229 I HA 0.239 4.410 4.170 0.001 0.000 0.279 229 I C -0.819 175.345 176.117 0.078 0.000 1.033 229 I CA -0.412 60.922 61.300 0.058 0.000 1.123 229 I CB 0.751 38.800 38.000 0.082 0.000 1.237 229 I HN 0.222 nan 8.210 nan 0.000 0.460 230 L N 6.838 128.097 121.223 0.061 0.000 2.331 230 L HA 0.523 4.863 4.340 0.001 0.000 0.278 230 L C -0.355 176.584 176.870 0.115 0.000 1.106 230 L CA -0.294 54.608 54.840 0.104 0.000 0.824 230 L CB 0.816 42.935 42.059 0.100 0.000 1.142 230 L HN 0.476 nan 8.230 nan 0.000 0.443 231 I N 2.146 122.804 120.570 0.147 0.000 2.466 231 I HA 0.169 4.339 4.170 0.001 0.000 0.289 231 I C 0.151 176.368 176.117 0.167 0.000 1.026 231 I CA -0.567 60.812 61.300 0.132 0.000 1.078 231 I CB 2.017 40.089 38.000 0.120 0.000 1.249 231 I HN 0.584 nan 8.210 nan 0.000 0.429 232 D N 2.504 122.995 120.400 0.151 0.000 2.349 232 D HA -0.050 4.590 4.640 0.001 0.000 0.224 232 D C 0.306 176.676 176.300 0.117 0.000 1.029 232 D CA 0.450 54.574 54.000 0.206 0.000 0.879 232 D CB -0.031 40.896 40.800 0.212 0.000 0.906 232 D HN 0.347 nan 8.370 nan 0.000 0.528 233 N N 0.265 119.012 118.700 0.078 0.000 2.491 233 N HA 0.254 4.994 4.740 0.001 0.000 0.274 233 N C -2.207 173.333 175.510 0.051 0.000 1.023 233 N CA -2.183 50.897 53.050 0.050 0.000 0.902 233 N CB 2.279 40.782 38.487 0.027 0.000 1.267 233 N HN -0.323 nan 8.380 nan 0.000 0.503 234 P HA -0.193 nan 4.420 nan 0.000 0.213 234 P C 1.339 178.663 177.300 0.040 0.000 1.170 234 P CA 2.506 65.630 63.100 0.040 0.000 0.902 234 P CB 0.177 31.894 31.700 0.028 0.000 0.789 235 K N -0.255 120.164 120.400 0.032 0.000 2.144 235 K HA -0.204 4.117 4.320 0.001 0.000 0.209 235 K C 2.223 178.849 176.600 0.043 0.000 1.047 235 K CA 2.474 58.780 56.287 0.031 0.000 0.927 235 K CB -1.937 30.577 32.500 0.023 0.000 0.716 235 K HN 0.059 nan 8.250 nan 0.000 0.454 236 V N 0.062 120.003 119.914 0.044 0.000 2.446 236 V HA -0.055 4.066 4.120 0.001 0.000 0.244 236 V C 2.425 178.568 176.094 0.082 0.000 1.039 236 V CA 1.270 63.602 62.300 0.053 0.000 1.045 236 V CB -0.083 31.759 31.823 0.032 0.000 0.681 236 V HN 0.558 nan 8.190 nan 0.000 0.459 237 L N 0.988 122.260 121.223 0.083 0.000 2.012 237 L HA -0.211 4.130 4.340 0.001 0.000 0.210 237 L C 2.798 179.728 176.870 0.100 0.000 1.073 237 L CA 2.763 57.665 54.840 0.103 0.000 0.748 237 L CB -0.688 41.425 42.059 0.089 0.000 0.891 237 L HN 0.475 nan 8.230 nan 0.000 0.431 238 E N -0.013 120.229 120.200 0.071 0.000 2.086 238 E HA -0.292 4.059 4.350 0.001 0.000 0.200 238 E C 2.011 178.648 176.600 0.063 0.000 1.012 238 E CA 2.184 58.616 56.400 0.054 0.000 0.812 238 E CB -1.332 28.390 29.700 0.037 0.000 0.743 238 E HN 0.673 nan 8.360 nan 0.000 0.453 239 L N -0.371 120.909 121.223 0.094 0.000 2.131 239 L HA -0.033 4.307 4.340 0.001 0.000 0.210 239 L C 3.053 180.086 176.870 0.272 0.000 1.092 239 L CA 1.015 55.946 54.840 0.152 0.000 0.759 239 L CB -0.242 41.933 42.059 0.193 0.000 0.903 239 L HN 0.472 nan 8.230 nan 0.000 0.435 240 A N 0.144 123.113 122.820 0.248 0.000 1.968 240 A HA -0.131 4.189 4.320 0.001 0.000 0.217 240 A C 2.365 180.166 177.584 0.361 0.000 1.169 240 A CA 0.997 53.255 52.037 0.369 0.000 0.638 240 A CB -0.268 18.942 19.000 0.351 0.000 0.812 240 A HN 0.347 nan 8.150 nan 0.000 0.446 241 R N -0.581 120.027 120.500 0.179 0.000 2.062 241 R HA -0.076 4.264 4.340 0.001 0.000 0.226 241 R C 2.338 178.651 176.300 0.022 0.000 1.125 241 R CA 1.318 57.473 56.100 0.093 0.000 0.966 241 R CB -0.501 29.829 30.300 0.050 0.000 0.861 241 R HN 0.604 nan 8.270 nan 0.000 0.433 242 Q N 0.219 119.984 119.800 -0.059 0.000 2.156 242 Q HA -0.238 4.103 4.340 0.001 0.000 0.211 242 Q C 1.728 177.578 176.000 -0.250 0.000 0.995 242 Q CA 1.987 57.681 55.803 -0.182 0.000 0.877 242 Q CB -0.282 28.290 28.738 -0.276 0.000 0.920 242 Q HN 0.578 nan 8.270 nan 0.000 0.416 243 H N -0.781 118.374 119.070 0.141 0.000 2.502 243 H HA 0.045 4.601 4.556 0.001 0.000 0.283 243 H C 1.704 177.164 175.328 0.220 0.000 1.015 243 H CA 0.794 56.954 56.048 0.186 0.000 1.298 243 H CB 0.258 30.141 29.762 0.203 0.000 1.411 243 H HN 0.186 nan 8.280 nan 0.000 0.556 244 I N -0.052 120.652 120.570 0.223 0.000 2.277 244 I HA -0.171 4.000 4.170 0.001 0.000 0.243 244 I C 2.484 178.609 176.117 0.014 0.000 1.094 244 I CA 0.775 62.139 61.300 0.107 0.000 1.393 244 I CB -0.195 37.806 38.000 0.002 0.000 1.078 244 I HN 0.313 nan 8.210 nan 0.000 0.417 245 A N 0.761 123.575 122.820 -0.011 0.000 1.908 245 A HA -0.195 4.126 4.320 0.001 0.000 0.218 245 A C 2.469 180.021 177.584 -0.053 0.000 1.181 245 A CA 1.905 53.918 52.037 -0.041 0.000 0.627 245 A CB -0.745 18.229 19.000 -0.044 0.000 0.818 245 A HN 0.451 nan 8.150 nan 0.000 0.445 246 A N -0.734 122.066 122.820 -0.032 0.000 1.969 246 A HA 0.077 4.398 4.320 0.001 0.000 0.218 246 A C 2.015 179.518 177.584 -0.136 0.000 1.169 246 A CA 1.335 53.352 52.037 -0.034 0.000 0.635 246 A CB -0.446 18.584 19.000 0.051 0.000 0.810 246 A HN 0.450 nan 8.150 nan 0.000 0.445 247 L N -1.135 120.045 121.223 -0.070 0.000 2.492 247 L HA 0.185 4.525 4.340 0.001 0.000 0.223 247 L C 1.372 178.134 176.870 -0.180 0.000 1.132 247 L CA 0.664 55.410 54.840 -0.158 0.000 0.850 247 L CB -0.089 42.062 42.059 0.153 0.000 0.966 247 L HN 0.564 nan 8.230 nan 0.000 0.454 248 G N 0.590 109.308 108.800 -0.136 0.000 2.452 248 G HA2 -0.185 3.775 3.960 0.001 0.000 0.275 248 G HA3 -0.185 3.775 3.960 0.001 0.000 0.275 248 G C -0.004 174.824 174.900 -0.120 0.000 1.131 248 G CA 0.148 45.172 45.100 -0.126 0.000 1.031 248 G HN 0.471 nan 8.290 nan 0.000 0.511 249 R N 0.386 120.820 120.500 -0.110 0.000 2.754 249 R HA 0.756 5.096 4.340 0.001 0.000 0.255 249 R C -1.489 174.752 176.300 -0.098 0.000 1.723 249 R CA -0.213 55.809 56.100 -0.131 0.000 1.596 249 R CB 0.332 30.517 30.300 -0.192 0.000 1.424 249 R HN 0.235 nan 8.270 nan 0.000 0.662 250 P HA -0.112 nan 4.420 nan 0.000 0.233 250 P C 0.314 177.583 177.300 -0.052 0.000 1.167 250 P CA 1.029 64.095 63.100 -0.057 0.000 0.770 250 P CB 0.368 32.039 31.700 -0.049 0.000 0.837 251 D N -0.594 119.771 120.400 -0.059 0.000 2.350 251 D HA -0.168 4.472 4.640 0.001 0.000 0.216 251 D C 1.598 177.870 176.300 -0.047 0.000 0.968 251 D CA 0.769 54.741 54.000 -0.047 0.000 0.894 251 D CB -1.242 39.530 40.800 -0.047 0.000 0.909 251 D HN 0.239 nan 8.370 nan 0.000 0.520 252 F N 0.511 120.421 119.950 -0.067 0.000 2.714 252 F HA 0.236 4.763 4.527 0.001 0.000 0.294 252 F C 2.734 178.497 175.800 -0.061 0.000 1.120 252 F CA 0.222 58.178 58.000 -0.074 0.000 1.398 252 F CB -0.442 38.484 39.000 -0.124 0.000 1.120 252 F HN 0.084 nan 8.300 nan 0.000 0.589 253 S N 0.448 116.119 115.700 -0.048 0.000 2.402 253 S HA -0.205 4.265 4.470 0.001 0.000 0.233 253 S C 2.378 176.971 174.600 -0.012 0.000 1.030 253 S CA 1.779 59.962 58.200 -0.027 0.000 1.003 253 S CB -0.684 62.503 63.200 -0.021 0.000 0.813 253 S HN 0.821 nan 8.310 nan 0.000 0.477 254 S N 0.824 116.517 115.700 -0.012 0.000 2.461 254 S HA 0.081 4.551 4.470 0.001 0.000 0.228 254 S C 1.733 176.337 174.600 0.007 0.000 1.005 254 S CA 0.917 59.116 58.200 -0.000 0.000 0.942 254 S CB -0.372 62.827 63.200 -0.001 0.000 0.776 254 S HN 0.573 nan 8.310 nan 0.000 0.514 255 K N 1.319 121.718 120.400 -0.002 0.000 2.314 255 K HA 0.465 4.786 4.320 0.001 0.000 0.198 255 K C 0.815 177.425 176.600 0.017 0.000 1.045 255 K CA 0.432 56.723 56.287 0.007 0.000 0.988 255 K CB -0.725 31.773 32.500 -0.003 0.000 0.783 255 K HN 0.637 nan 8.250 nan 0.000 0.484 256 I N 2.345 122.922 120.570 0.011 0.000 2.598 256 I HA 0.094 4.264 4.170 0.001 0.000 0.284 256 I C -0.084 176.068 176.117 0.059 0.000 1.140 256 I CA 0.177 61.502 61.300 0.042 0.000 1.420 256 I CB 0.891 38.921 38.000 0.050 0.000 1.387 256 I HN 0.276 nan 8.210 nan 0.000 0.553 257 K N 5.833 126.282 120.400 0.081 0.000 2.426 257 K HA 0.492 4.813 4.320 0.001 0.000 0.251 257 K C -1.251 175.417 176.600 0.113 0.000 0.941 257 K CA -1.034 55.306 56.287 0.088 0.000 0.808 257 K CB 2.680 35.237 32.500 0.094 0.000 1.265 257 K HN 0.269 nan 8.250 nan 0.000 0.432 258 L N 3.062 124.344 121.223 0.098 0.000 2.281 258 L HA 0.236 4.576 4.340 0.001 0.000 0.285 258 L C -0.833 176.120 176.870 0.139 0.000 1.074 258 L CA -0.186 54.718 54.840 0.108 0.000 0.817 258 L CB -0.013 42.082 42.059 0.061 0.000 1.168 258 L HN 0.474 nan 8.230 nan 0.000 0.434 259 Y N 3.336 123.674 120.300 0.064 0.000 2.411 259 Y HA 0.300 4.850 4.550 0.001 0.000 0.333 259 Y C 1.192 177.116 175.900 0.039 0.000 1.186 259 Y CA 0.819 58.960 58.100 0.068 0.000 1.381 259 Y CB 1.126 39.649 38.460 0.104 0.000 1.273 259 Y HN 0.823 nan 8.280 nan 0.000 0.546 260 T N 0.369 114.476 114.554 -0.746 0.000 3.028 260 T HA 0.292 4.642 4.350 0.001 0.000 0.262 260 T C 0.837 175.201 174.700 -0.560 0.000 0.916 260 T CA 0.242 62.056 62.100 -0.475 0.000 0.873 260 T CB -0.717 67.998 68.868 -0.256 0.000 1.232 260 T HN 0.838 nan 8.240 nan 0.000 0.529 261 G N 0.818 109.041 108.800 -0.961 0.000 2.474 261 G HA2 0.375 4.335 3.960 0.001 0.000 0.233 261 G HA3 0.375 4.335 3.960 0.001 0.000 0.233 261 G C 0.944 175.741 174.900 -0.173 0.000 1.278 261 G CA 0.279 45.084 45.100 -0.491 0.000 0.861 261 G HN 0.540 nan 8.290 nan 0.000 0.567 262 E N 1.552 121.721 120.200 -0.052 0.000 2.152 262 E HA 0.037 4.387 4.350 0.001 0.000 0.192 262 E C 1.417 178.072 176.600 0.092 0.000 0.983 262 E CA 0.450 56.861 56.400 0.019 0.000 0.818 262 E CB -0.296 29.407 29.700 0.005 0.000 0.758 262 E HN 0.646 nan 8.360 nan 0.000 0.467 263 I N 2.769 123.415 120.570 0.127 0.000 2.662 263 I HA 0.077 4.248 4.170 0.001 0.000 0.285 263 I C -2.066 174.228 176.117 0.295 0.000 1.161 263 I CA -1.741 59.673 61.300 0.190 0.000 1.415 263 I CB 0.864 38.990 38.000 0.210 0.000 1.385 263 I HN 0.146 nan 8.210 nan 0.000 0.552 264 P HA -0.068 nan 4.420 nan 0.000 0.266 264 P C 1.122 178.512 177.300 0.149 0.000 1.193 264 P CA 0.029 63.241 63.100 0.186 0.000 0.770 264 P CB 0.524 32.284 31.700 0.100 0.000 0.836 265 L N 2.498 123.710 121.223 -0.018 0.000 2.013 265 L HA -0.230 4.111 4.340 0.001 0.000 0.212 265 L C 2.355 179.350 176.870 0.208 0.000 1.073 265 L CA 2.262 56.934 54.840 -0.281 0.000 0.753 265 L CB -2.467 39.429 42.059 -0.272 0.000 0.890 265 L HN 0.269 nan 8.230 nan 0.000 0.432 266 F N -0.004 119.930 119.950 -0.026 0.000 2.456 266 F HA 0.010 4.537 4.527 0.001 0.000 0.298 266 F C 2.742 178.570 175.800 0.045 0.000 1.104 266 F CA 0.997 59.005 58.000 0.013 0.000 1.435 266 F CB -0.635 38.362 39.000 -0.005 0.000 1.078 266 F HN 0.237 nan 8.300 nan 0.000 0.546 267 S N -1.894 113.947 115.700 0.235 0.000 2.425 267 S HA -0.127 4.343 4.470 0.001 0.000 0.225 267 S C 2.065 176.727 174.600 0.102 0.000 1.024 267 S CA 0.389 58.677 58.200 0.146 0.000 0.951 267 S CB -0.458 62.820 63.200 0.130 0.000 0.796 267 S HN 0.461 nan 8.310 nan 0.000 0.498 268 H N -0.215 118.901 119.070 0.077 0.000 2.423 268 H HA -0.031 4.525 4.556 0.001 0.000 0.297 268 H C 0.706 175.960 175.328 -0.123 0.000 1.075 268 H CA 1.269 57.313 56.048 -0.008 0.000 1.342 268 H CB -0.055 29.714 29.762 0.011 0.000 1.395 268 H HN 0.427 nan 8.280 nan 0.000 0.530 269 Y N 1.151 121.351 120.300 -0.167 0.000 2.461 269 Y HA 0.060 4.610 4.550 0.001 0.000 0.277 269 Y C 0.793 176.604 175.900 -0.149 0.000 1.182 269 Y CA 0.031 58.017 58.100 -0.190 0.000 1.276 269 Y CB 0.394 38.781 38.460 -0.122 0.000 1.087 269 Y HN 0.188 nan 8.280 nan 0.000 0.519 270 Q N -0.600 119.189 119.800 -0.019 0.000 2.452 270 Q HA -0.255 4.086 4.340 0.001 0.000 0.248 270 Q C 1.094 177.092 176.000 -0.004 0.000 0.874 270 Q CA 1.533 57.326 55.803 -0.017 0.000 1.208 270 Q CB -2.322 26.389 28.738 -0.045 0.000 1.569 270 Q HN 0.811 nan 8.270 nan 0.000 0.579 271 I N -3.869 116.691 120.570 -0.016 0.000 3.860 271 I HA 0.094 4.264 4.170 0.001 0.000 0.319 271 I C 1.804 177.904 176.117 -0.029 0.000 1.279 271 I CA 0.664 61.917 61.300 -0.077 0.000 1.220 271 I CB 0.037 37.889 38.000 -0.247 0.000 1.027 271 I HN -0.104 nan 8.210 nan 0.000 0.428 272 E N 2.305 122.535 120.200 0.051 0.000 2.153 272 E HA -0.204 4.146 4.350 0.001 0.000 0.194 272 E C 2.318 178.971 176.600 0.088 0.000 0.988 272 E CA 1.914 58.382 56.400 0.113 0.000 0.811 272 E CB -0.049 29.734 29.700 0.139 0.000 0.746 272 E HN 0.697 nan 8.360 nan 0.000 0.466 273 S N -0.428 115.307 115.700 0.059 0.000 2.387 273 S HA -0.178 4.292 4.470 0.001 0.000 0.226 273 S C 1.968 176.599 174.600 0.051 0.000 1.026 273 S CA 0.933 59.167 58.200 0.056 0.000 0.972 273 S CB -0.335 62.888 63.200 0.039 0.000 0.814 273 S HN 0.308 nan 8.310 nan 0.000 0.477 274 Q N 0.670 120.485 119.800 0.025 0.000 2.119 274 Q HA 0.088 4.429 4.340 0.001 0.000 0.201 274 Q C 2.200 178.204 176.000 0.006 0.000 0.972 274 Q CA 1.477 57.285 55.803 0.007 0.000 0.847 274 Q CB -0.468 28.261 28.738 -0.015 0.000 0.903 274 Q HN 0.599 nan 8.270 nan 0.000 0.433 275 I N 0.931 121.511 120.570 0.017 0.000 2.226 275 I HA -0.244 3.927 4.170 0.001 0.000 0.245 275 I C 2.095 178.285 176.117 0.122 0.000 1.100 275 I CA 1.005 62.331 61.300 0.043 0.000 1.374 275 I CB -0.099 37.962 38.000 0.101 0.000 1.057 275 I HN 0.130 nan 8.210 nan 0.000 0.413 276 E N 0.367 120.678 120.200 0.184 0.000 2.418 276 E HA -0.115 4.235 4.350 0.001 0.000 0.197 276 E C 2.259 179.008 176.600 0.248 0.000 1.026 276 E CA 1.094 57.684 56.400 0.316 0.000 0.862 276 E CB -0.090 29.735 29.700 0.209 0.000 0.799 276 E HN 0.530 nan 8.360 nan 0.000 0.518 277 S N 0.111 115.869 115.700 0.098 0.000 2.474 277 S HA 0.004 4.475 4.470 0.001 0.000 0.235 277 S C 2.009 176.606 174.600 -0.004 0.000 0.997 277 S CA 0.748 58.978 58.200 0.051 0.000 0.949 277 S CB 0.059 63.270 63.200 0.018 0.000 0.766 277 S HN 0.183 nan 8.310 nan 0.000 0.517 278 A N -0.014 122.732 122.820 -0.123 0.000 2.206 278 A HA 0.372 4.692 4.320 0.001 0.000 0.211 278 A C 1.373 178.737 177.584 -0.367 0.000 1.158 278 A CA 0.343 52.201 52.037 -0.298 0.000 0.761 278 A CB -0.738 17.986 19.000 -0.460 0.000 0.801 278 A HN 0.631 nan 8.150 nan 0.000 0.473 279 F N -0.552 119.409 119.950 0.018 0.000 2.731 279 F HA 0.183 4.711 4.527 0.001 0.000 0.298 279 F C 1.278 177.088 175.800 0.016 0.000 1.106 279 F CA -0.170 57.844 58.000 0.024 0.000 1.329 279 F CB 0.236 39.254 39.000 0.029 0.000 1.100 279 F HN 0.151 nan 8.300 nan 0.000 0.592 280 Q N 0.345 120.235 119.800 0.150 0.000 2.317 280 Q HA 0.213 4.553 4.340 0.001 0.000 0.229 280 Q C 1.332 177.363 176.000 0.051 0.000 0.984 280 Q CA -0.352 55.506 55.803 0.092 0.000 0.911 280 Q CB 1.364 30.142 28.738 0.067 0.000 1.217 280 Q HN 0.141 nan 8.270 nan 0.000 0.501 281 R N 0.547 121.070 120.500 0.038 0.000 2.090 281 R HA 0.025 4.365 4.340 0.001 0.000 0.219 281 R C -0.084 176.220 176.300 0.006 0.000 1.100 281 R CA 0.761 56.872 56.100 0.018 0.000 0.991 281 R CB 0.520 30.829 30.300 0.015 0.000 0.893 281 R HN 0.603 nan 8.270 nan 0.000 0.443 282 E N 0.283 120.489 120.200 0.010 0.000 2.183 282 E HA 0.296 4.647 4.350 0.001 0.000 0.271 282 E C -1.631 174.973 176.600 0.007 0.000 0.919 282 E CA -0.651 55.751 56.400 0.004 0.000 0.781 282 E CB 2.156 31.859 29.700 0.004 0.000 1.140 282 E HN -0.093 nan 8.360 nan 0.000 0.402 283 V N 4.632 124.546 119.914 0.001 0.000 2.448 283 V HA 0.395 4.515 4.120 0.001 0.000 0.295 283 V C -0.145 175.950 176.094 0.002 0.000 1.025 283 V CA -0.819 61.483 62.300 0.003 0.000 0.859 283 V CB 1.583 33.404 31.823 -0.002 0.000 0.988 283 V HN 0.686 nan 8.190 nan 0.000 0.431 284 R N 4.014 124.517 120.500 0.005 0.000 2.438 284 R HA 0.520 4.861 4.340 0.001 0.000 0.287 284 R C -0.713 175.588 176.300 0.001 0.000 1.077 284 R CA -0.346 55.756 56.100 0.003 0.000 1.034 284 R CB 0.558 30.861 30.300 0.005 0.000 0.993 284 R HN 0.544 nan 8.270 nan 0.000 0.459 285 L N 4.524 125.747 121.223 -0.000 0.000 2.399 285 L HA 0.234 4.575 4.340 0.001 0.000 0.266 285 L C -1.315 175.552 176.870 -0.005 0.000 1.114 285 L CA -1.996 52.842 54.840 -0.003 0.000 0.804 285 L CB 0.908 42.965 42.059 -0.003 0.000 1.146 285 L HN 0.370 nan 8.230 nan 0.000 0.451 286 P HA -0.217 nan 4.420 nan 0.000 0.219 286 P C 1.369 178.663 177.300 -0.010 0.000 1.161 286 P CA 1.408 64.503 63.100 -0.010 0.000 0.909 286 P CB 0.204 31.895 31.700 -0.015 0.000 0.793 287 S N -2.669 113.023 115.700 -0.014 0.000 2.453 287 S HA 0.146 4.616 4.470 0.001 0.000 0.231 287 S C 1.643 176.239 174.600 -0.006 0.000 1.005 287 S CA 1.293 59.485 58.200 -0.013 0.000 0.949 287 S CB -0.331 62.858 63.200 -0.019 0.000 0.774 287 S HN 0.439 nan 8.310 nan 0.000 0.510 288 G N 0.034 108.832 108.800 -0.004 0.000 2.813 288 G HA2 -0.046 3.915 3.960 0.001 0.000 0.194 288 G HA3 -0.046 3.915 3.960 0.001 0.000 0.194 288 G C 0.437 175.338 174.900 0.003 0.000 1.010 288 G CA -0.180 44.920 45.100 0.000 0.000 0.771 288 G HN 0.705 nan 8.290 nan 0.000 0.485 289 G N 0.323 109.124 108.800 0.002 0.000 2.466 289 G HA2 0.605 4.565 3.960 0.001 0.000 0.279 289 G HA3 0.605 4.565 3.960 0.001 0.000 0.279 289 G C 0.464 175.366 174.900 0.004 0.000 1.410 289 G CA 1.445 46.548 45.100 0.006 0.000 1.065 289 G HN 1.869 nan 8.290 nan 0.000 0.547 290 S N -2.121 113.582 115.700 0.004 0.000 2.611 290 S HA 0.605 5.076 4.470 0.001 0.000 0.268 290 S C -0.871 173.725 174.600 -0.007 0.000 1.156 290 S CA -0.580 57.620 58.200 -0.000 0.000 0.817 290 S CB 1.270 64.471 63.200 0.000 0.000 1.122 290 S HN 1.413 nan 8.310 nan 0.000 0.466 291 I N -0.899 119.663 120.570 -0.014 0.000 2.545 291 I HA 0.883 5.054 4.170 0.001 0.000 0.292 291 I C -1.338 174.763 176.117 -0.028 0.000 1.040 291 I CA -1.269 60.014 61.300 -0.029 0.000 1.068 291 I CB 2.115 40.091 38.000 -0.041 0.000 1.251 291 I HN 0.434 nan 8.210 nan 0.000 0.424 292 V N 6.783 126.676 119.914 -0.035 0.000 2.357 292 V HA 0.434 4.554 4.120 0.001 0.000 0.284 292 V C 0.032 176.103 176.094 -0.038 0.000 1.018 292 V CA -0.312 61.971 62.300 -0.028 0.000 0.841 292 V CB 1.388 33.197 31.823 -0.023 0.000 0.991 292 V HN 0.588 nan 8.190 nan 0.000 0.437 293 I N 3.808 124.360 120.570 -0.031 0.000 2.361 293 I HA 0.411 4.582 4.170 0.001 0.000 0.282 293 I C 0.534 176.635 176.117 -0.027 0.000 1.075 293 I CA 0.103 61.381 61.300 -0.036 0.000 1.205 293 I CB 0.755 38.734 38.000 -0.035 0.000 1.406 293 I HN 0.776 nan 8.210 nan 0.000 0.481 294 D N 4.051 124.433 120.400 -0.031 0.000 2.217 294 D HA 0.587 5.227 4.640 0.001 0.000 0.243 294 D C 0.022 176.305 176.300 -0.028 0.000 1.054 294 D CA -0.530 53.455 54.000 -0.025 0.000 0.838 294 D CB 1.739 42.524 40.800 -0.026 0.000 1.162 294 D HN 0.491 nan 8.370 nan 0.000 0.472 295 S N 0.102 115.788 115.700 -0.024 0.000 2.478 295 S HA 0.701 5.172 4.470 0.001 0.000 0.312 295 S C 0.407 174.993 174.600 -0.024 0.000 1.094 295 S CA 0.167 58.352 58.200 -0.025 0.000 1.081 295 S CB 1.217 64.403 63.200 -0.023 0.000 1.007 295 S HN 0.930 nan 8.310 nan 0.000 0.475 296 T N 0.673 115.211 114.554 -0.025 0.000 2.906 296 T HA 0.445 4.796 4.350 0.001 0.000 0.283 296 T C 0.997 175.683 174.700 -0.023 0.000 1.098 296 T CA 0.075 62.160 62.100 -0.024 0.000 0.960 296 T CB 0.298 69.151 68.868 -0.026 0.000 1.776 296 T HN 0.706 nan 8.240 nan 0.000 0.594 297 E N 0.104 120.290 120.200 -0.022 0.000 2.086 297 E HA 0.155 4.505 4.350 0.001 0.000 0.190 297 E C 2.155 178.742 176.600 -0.021 0.000 0.975 297 E CA 0.917 57.304 56.400 -0.021 0.000 0.813 297 E CB -0.664 29.025 29.700 -0.020 0.000 0.768 297 E HN 0.676 nan 8.360 nan 0.000 0.457 298 A N 0.338 123.145 122.820 -0.023 0.000 1.878 298 A HA 0.255 4.575 4.320 0.001 0.000 0.213 298 A C 0.830 178.399 177.584 -0.025 0.000 1.192 298 A CA 1.176 53.199 52.037 -0.023 0.000 0.619 298 A CB -0.252 18.733 19.000 -0.025 0.000 0.837 298 A HN 0.351 nan 8.150 nan 0.000 0.446 299 L N -5.460 115.746 121.223 -0.027 0.000 2.654 299 L HA 0.682 5.022 4.340 0.001 0.000 0.257 299 L C -0.836 176.016 176.870 -0.031 0.000 1.093 299 L CA -0.631 54.192 54.840 -0.029 0.000 0.903 299 L CB 1.297 43.337 42.059 -0.030 0.000 1.520 299 L HN -0.228 nan 8.230 nan 0.000 0.402 300 T N 1.080 115.614 114.554 -0.033 0.000 2.756 300 T HA 0.778 5.129 4.350 0.001 0.000 0.290 300 T C -0.148 174.524 174.700 -0.045 0.000 0.985 300 T CA -0.032 62.046 62.100 -0.037 0.000 0.955 300 T CB 1.071 69.917 68.868 -0.037 0.000 0.930 300 T HN 0.877 nan 8.240 nan 0.000 0.451 301 A N 4.560 127.352 122.820 -0.046 0.000 2.252 301 A HA 0.676 4.996 4.320 0.001 0.000 0.309 301 A C -0.050 177.494 177.584 -0.066 0.000 1.285 301 A CA -0.654 51.350 52.037 -0.055 0.000 0.900 301 A CB -0.087 18.885 19.000 -0.048 0.000 1.157 301 A HN 0.902 nan 8.150 nan 0.000 0.536 302 I N 2.712 123.227 120.570 -0.093 0.000 2.328 302 I HA 0.211 4.382 4.170 0.001 0.000 0.287 302 I C -0.495 175.543 176.117 -0.132 0.000 1.012 302 I CA -0.473 60.760 61.300 -0.111 0.000 1.195 302 I CB 1.474 39.391 38.000 -0.139 0.000 1.350 302 I HN 0.611 nan 8.210 nan 0.000 0.464 303 D N 7.020 127.366 120.400 -0.091 0.000 2.229 303 D HA 0.582 5.222 4.640 0.001 0.000 0.249 303 D C -0.739 175.519 176.300 -0.071 0.000 1.027 303 D CA -0.152 53.803 54.000 -0.075 0.000 0.923 303 D CB 1.400 42.175 40.800 -0.042 0.000 1.174 303 D HN 0.301 nan 8.370 nan 0.000 0.443 304 I N 2.924 123.464 120.570 -0.051 0.000 2.447 304 I HA 0.316 4.486 4.170 0.001 0.000 0.287 304 I C -0.438 175.686 176.117 0.012 0.000 1.023 304 I CA -0.891 60.397 61.300 -0.020 0.000 1.083 304 I CB 1.499 39.496 38.000 -0.005 0.000 1.245 304 I HN 0.187 nan 8.210 nan 0.000 0.434 305 N N 4.459 123.165 118.700 0.010 0.000 2.361 305 N HA 0.460 5.201 4.740 0.001 0.000 0.302 305 N C -0.538 174.984 175.510 0.020 0.000 1.074 305 N CA -0.511 52.548 53.050 0.017 0.000 0.850 305 N CB 2.334 40.827 38.487 0.009 0.000 1.228 305 N HN 0.632 nan 8.380 nan 0.000 0.491 306 S N 0.104 115.818 115.700 0.023 0.000 2.694 306 S HA 0.753 5.224 4.470 0.001 0.000 0.278 306 S C 0.442 175.051 174.600 0.014 0.000 1.152 306 S CA -0.820 57.392 58.200 0.020 0.000 1.010 306 S CB 0.946 64.161 63.200 0.025 0.000 1.104 306 S HN 0.682 nan 8.310 nan 0.000 0.547 314 D N -0.071 120.344 120.400 0.025 0.000 2.757 314 D HA 0.480 5.121 4.640 0.001 0.000 0.249 314 D C 1.396 177.717 176.300 0.035 0.000 1.168 314 D CA -0.790 53.228 54.000 0.030 0.000 0.870 314 D CB 1.534 42.355 40.800 0.035 0.000 1.411 314 D HN 0.227 nan 8.370 nan 0.000 0.525 315 I N 2.536 123.127 120.570 0.035 0.000 2.353 315 I HA -0.072 4.098 4.170 0.001 0.000 0.248 315 I C 2.442 178.590 176.117 0.052 0.000 1.119 315 I CA 1.176 62.499 61.300 0.039 0.000 1.417 315 I CB -0.621 37.400 38.000 0.035 0.000 1.078 315 I HN 0.600 nan 8.210 nan 0.000 0.421 316 E N 1.510 121.745 120.200 0.059 0.000 2.110 316 E HA -0.238 4.112 4.350 0.001 0.000 0.193 316 E C 2.172 178.822 176.600 0.082 0.000 0.988 316 E CA 1.715 58.164 56.400 0.082 0.000 0.804 316 E CB -1.078 28.675 29.700 0.090 0.000 0.745 316 E HN 0.706 nan 8.360 nan 0.000 0.458 317 E N 0.239 120.484 120.200 0.073 0.000 2.112 317 E HA -0.075 4.275 4.350 0.001 0.000 0.190 317 E C 2.357 178.999 176.600 0.071 0.000 0.979 317 E CA 1.450 57.899 56.400 0.083 0.000 0.814 317 E CB -1.146 28.597 29.700 0.072 0.000 0.762 317 E HN 0.558 nan 8.360 nan 0.000 0.460 318 T N 0.416 115.000 114.554 0.049 0.000 2.674 318 T HA 0.049 4.399 4.350 0.001 0.000 0.265 318 T C 2.441 177.161 174.700 0.034 0.000 1.039 318 T CA 1.791 63.909 62.100 0.031 0.000 1.150 318 T CB -0.541 68.344 68.868 0.029 0.000 0.864 318 T HN 0.589 nan 8.240 nan 0.000 0.427 319 A N 1.255 124.110 122.820 0.058 0.000 1.917 319 A HA -0.116 4.204 4.320 0.001 0.000 0.219 319 A C 2.045 179.677 177.584 0.081 0.000 1.182 319 A CA 1.716 53.797 52.037 0.073 0.000 0.633 319 A CB -0.992 18.061 19.000 0.089 0.000 0.819 319 A HN 0.477 nan 8.150 nan 0.000 0.448 320 F N 1.130 121.001 119.950 -0.132 0.000 2.146 320 F HA -0.103 4.425 4.527 0.001 0.000 0.298 320 F C 2.041 177.738 175.800 -0.170 0.000 1.096 320 F CA 1.750 59.599 58.000 -0.252 0.000 1.275 320 F CB -0.448 38.193 39.000 -0.598 0.000 1.008 320 F HN 0.318 nan 8.300 nan 0.000 0.480 321 N N -0.487 118.074 118.700 -0.232 0.000 2.270 321 N HA -0.131 4.610 4.740 0.001 0.000 0.181 321 N C 1.552 176.943 175.510 -0.197 0.000 1.016 321 N CA 1.689 54.551 53.050 -0.313 0.000 0.870 321 N CB 0.001 38.403 38.487 -0.141 0.000 0.979 321 N HN 0.312 nan 8.380 nan 0.000 0.431 322 T N 1.149 115.647 114.554 -0.093 0.000 2.812 322 T HA -0.017 4.333 4.350 0.001 0.000 0.264 322 T C 1.567 176.263 174.700 -0.007 0.000 1.042 322 T CA 0.725 62.804 62.100 -0.035 0.000 1.140 322 T CB -0.223 68.650 68.868 0.009 0.000 0.870 322 T HN 0.241 nan 8.240 nan 0.000 0.445 323 N N 1.359 120.064 118.700 0.007 0.000 2.149 323 N HA 0.008 4.748 4.740 0.001 0.000 0.188 323 N C 1.819 177.321 175.510 -0.013 0.000 1.019 323 N CA 0.802 53.910 53.050 0.097 0.000 0.857 323 N CB -0.552 37.951 38.487 0.026 0.000 0.997 323 N HN 0.340 nan 8.380 nan 0.000 0.426 324 L N 1.153 122.251 121.223 -0.208 0.000 2.046 324 L HA -0.135 4.205 4.340 0.001 0.000 0.208 324 L C 2.190 178.999 176.870 -0.102 0.000 1.077 324 L CA 1.208 55.907 54.840 -0.236 0.000 0.747 324 L CB -0.283 41.520 42.059 -0.426 0.000 0.896 324 L HN 0.205 nan 8.230 nan 0.000 0.432 325 E N -0.108 120.040 120.200 -0.086 0.000 2.047 325 E HA -0.214 4.137 4.350 0.001 0.000 0.191 325 E C 2.280 178.887 176.600 0.011 0.000 0.987 325 E CA 1.010 57.387 56.400 -0.038 0.000 0.799 325 E CB -0.177 29.499 29.700 -0.040 0.000 0.752 325 E HN 0.488 nan 8.360 nan 0.000 0.449 326 A N 2.021 124.871 122.820 0.049 0.000 1.859 326 A HA -0.302 4.019 4.320 0.001 0.000 0.218 326 A C 2.490 180.145 177.584 0.119 0.000 1.209 326 A CA 2.480 54.569 52.037 0.087 0.000 0.639 326 A CB -1.165 17.928 19.000 0.155 0.000 0.835 326 A HN 0.331 nan 8.150 nan 0.000 0.450 327 A N -0.640 122.318 122.820 0.231 0.000 1.903 327 A HA -0.315 4.005 4.320 0.001 0.000 0.219 327 A C 1.881 179.517 177.584 0.087 0.000 1.191 327 A CA 2.417 54.584 52.037 0.217 0.000 0.638 327 A CB -0.925 18.180 19.000 0.174 0.000 0.823 327 A HN 0.541 nan 8.150 nan 0.000 0.451 328 D N -1.020 119.404 120.400 0.040 0.000 2.092 328 D HA -0.151 4.489 4.640 0.001 0.000 0.193 328 D C 2.005 178.313 176.300 0.014 0.000 0.994 328 D CA 1.761 55.767 54.000 0.010 0.000 0.828 328 D CB -0.288 40.504 40.800 -0.014 0.000 0.963 328 D HN 0.585 nan 8.370 nan 0.000 0.450 329 E N 0.485 120.693 120.200 0.015 0.000 2.031 329 E HA -0.106 4.244 4.350 0.001 0.000 0.193 329 E C 2.256 178.860 176.600 0.007 0.000 0.994 329 E CA 0.767 57.172 56.400 0.009 0.000 0.800 329 E CB -0.481 29.221 29.700 0.004 0.000 0.752 329 E HN 0.272 nan 8.360 nan 0.000 0.447 330 I N 0.795 121.368 120.570 0.004 0.000 2.145 330 I HA -0.380 3.790 4.170 0.001 0.000 0.244 330 I C 2.402 178.522 176.117 0.005 0.000 1.075 330 I CA 1.472 62.766 61.300 -0.009 0.000 1.332 330 I CB -0.496 37.489 38.000 -0.025 0.000 1.033 330 I HN 0.243 nan 8.210 nan 0.000 0.410 331 A N 1.357 124.191 122.820 0.022 0.000 1.917 331 A HA -0.275 4.045 4.320 0.001 0.000 0.219 331 A C 2.278 179.883 177.584 0.034 0.000 1.182 331 A CA 2.497 54.552 52.037 0.029 0.000 0.633 331 A CB -0.616 18.401 19.000 0.029 0.000 0.819 331 A HN 0.587 nan 8.150 nan 0.000 0.448 332 R N -1.626 118.896 120.500 0.037 0.000 2.140 332 R HA 0.080 4.420 4.340 0.001 0.000 0.213 332 R C 1.912 178.228 176.300 0.026 0.000 1.059 332 R CA 1.051 57.187 56.100 0.060 0.000 1.000 332 R CB -0.465 29.885 30.300 0.083 0.000 0.910 332 R HN 0.337 nan 8.270 nan 0.000 0.455 333 Q N 1.320 121.122 119.800 0.003 0.000 2.061 333 Q HA -0.077 4.263 4.340 0.001 0.000 0.204 333 Q C 2.249 178.232 176.000 -0.030 0.000 0.984 333 Q CA 1.705 57.493 55.803 -0.026 0.000 0.846 333 Q CB -0.369 28.350 28.738 -0.031 0.000 0.902 333 Q HN 0.419 nan 8.270 nan 0.000 0.421 334 L N 0.126 121.340 121.223 -0.015 0.000 2.021 334 L HA -0.260 4.081 4.340 0.001 0.000 0.215 334 L C 2.710 179.576 176.870 -0.007 0.000 1.074 334 L CA 1.544 56.376 54.840 -0.013 0.000 0.760 334 L CB -0.437 41.621 42.059 -0.001 0.000 0.889 334 L HN 0.198 nan 8.230 nan 0.000 0.433 335 R N -0.192 120.316 120.500 0.014 0.000 2.066 335 R HA -0.104 4.236 4.340 0.001 0.000 0.232 335 R C 2.329 178.627 176.300 -0.003 0.000 1.131 335 R CA 1.246 57.363 56.100 0.029 0.000 0.955 335 R CB -0.367 29.980 30.300 0.079 0.000 0.851 335 R HN 0.321 nan 8.270 nan 0.000 0.432 336 L N -0.155 121.051 121.223 -0.028 0.000 2.093 336 L HA -0.132 4.209 4.340 0.001 0.000 0.208 336 L C 2.469 179.266 176.870 -0.122 0.000 1.085 336 L CA 1.320 56.113 54.840 -0.079 0.000 0.755 336 L CB -0.274 41.725 42.059 -0.100 0.000 0.904 336 L HN 0.126 nan 8.230 nan 0.000 0.435 337 R N -0.471 119.961 120.500 -0.112 0.000 2.193 337 R HA -0.100 4.240 4.340 0.001 0.000 0.213 337 R C 0.255 176.505 176.300 -0.083 0.000 1.055 337 R CA 0.493 56.514 56.100 -0.132 0.000 0.995 337 R CB -0.027 30.210 30.300 -0.105 0.000 0.893 337 R HN 0.136 nan 8.270 nan 0.000 0.459 338 D N 0.303 120.673 120.400 -0.050 0.000 2.723 338 D HA -0.170 4.470 4.640 0.001 0.000 0.236 338 D C -1.018 175.265 176.300 -0.029 0.000 1.138 338 D CA 0.423 54.406 54.000 -0.028 0.000 0.676 338 D CB -1.034 39.752 40.800 -0.022 0.000 1.069 338 D HN 0.127 nan 8.370 nan 0.000 0.430 339 L N -0.216 120.988 121.223 -0.031 0.000 2.485 339 L HA 0.452 4.792 4.340 0.001 0.000 0.275 339 L C 1.656 178.514 176.870 -0.020 0.000 1.207 339 L CA 0.946 55.769 54.840 -0.028 0.000 0.855 339 L CB 0.816 42.857 42.059 -0.030 0.000 1.114 339 L HN 0.293 nan 8.230 nan 0.000 0.485 340 G N 0.335 109.123 108.800 -0.021 0.000 2.605 340 G HA2 0.640 4.600 3.960 0.001 0.000 0.296 340 G HA3 0.640 4.600 3.960 0.001 0.000 0.296 340 G C -0.206 174.683 174.900 -0.018 0.000 1.304 340 G CA 0.012 45.102 45.100 -0.017 0.000 0.941 340 G HN 0.977 nan 8.290 nan 0.000 0.475 341 G N -0.791 108.000 108.800 -0.015 0.000 2.545 341 G HA2 0.089 4.049 3.960 0.001 0.000 0.240 341 G HA3 0.089 4.049 3.960 0.001 0.000 0.240 341 G C -0.922 173.969 174.900 -0.016 0.000 1.172 341 G CA 0.158 45.248 45.100 -0.016 0.000 0.949 341 G HN 1.393 nan 8.290 nan 0.000 0.574 342 L N 1.089 122.300 121.223 -0.019 0.000 2.296 342 L HA 0.822 5.162 4.340 0.001 0.000 0.286 342 L C -0.053 176.802 176.870 -0.024 0.000 1.023 342 L CA -0.573 54.255 54.840 -0.020 0.000 0.812 342 L CB 1.114 43.160 42.059 -0.021 0.000 1.223 342 L HN 0.509 nan 8.230 nan 0.000 0.421 343 I N 4.664 125.219 120.570 -0.024 0.000 2.466 343 I HA 0.483 4.654 4.170 0.001 0.000 0.289 343 I C -0.822 175.275 176.117 -0.034 0.000 1.026 343 I CA -0.711 60.569 61.300 -0.032 0.000 1.078 343 I CB 2.103 40.083 38.000 -0.033 0.000 1.249 343 I HN 0.096 nan 8.210 nan 0.000 0.429 344 V N 7.033 126.920 119.914 -0.046 0.000 2.378 344 V HA 0.470 4.590 4.120 0.001 0.000 0.288 344 V C -0.060 175.980 176.094 -0.090 0.000 1.016 344 V CA -0.454 61.817 62.300 -0.048 0.000 0.840 344 V CB 1.598 33.398 31.823 -0.038 0.000 0.994 344 V HN 0.473 nan 8.190 nan 0.000 0.431 345 I N 3.625 124.121 120.570 -0.123 0.000 2.321 345 I HA 0.333 4.503 4.170 0.001 0.000 0.291 345 I C -0.251 175.715 176.117 -0.252 0.000 0.998 345 I CA -0.322 60.805 61.300 -0.289 0.000 1.227 345 I CB 1.528 39.190 38.000 -0.563 0.000 1.368 345 I HN 0.538 nan 8.210 nan 0.000 0.466 346 D N 7.260 127.535 120.400 -0.209 0.000 2.522 346 D HA 0.227 4.867 4.640 0.001 0.000 0.218 346 D C -0.328 175.932 176.300 -0.067 0.000 1.149 346 D CA -0.301 53.657 54.000 -0.070 0.000 0.981 346 D CB 0.080 40.862 40.800 -0.029 0.000 1.041 346 D HN 0.053 nan 8.370 nan 0.000 0.518 347 F N 2.042 122.017 119.950 0.042 0.000 2.545 347 F HA 0.165 4.692 4.527 0.001 0.000 0.348 347 F C 1.369 177.197 175.800 0.047 0.000 1.163 347 F CA -0.290 57.736 58.000 0.043 0.000 1.331 347 F CB 0.358 39.390 39.000 0.054 0.000 1.138 347 F HN 0.186 nan 8.300 nan 0.000 0.602 348 I N 2.211 122.951 120.570 0.282 0.000 2.710 348 I HA -0.081 4.089 4.170 0.001 0.000 0.286 348 I C 0.644 176.859 176.117 0.163 0.000 1.181 348 I CA 0.136 61.538 61.300 0.171 0.000 1.430 348 I CB 0.001 38.079 38.000 0.130 0.000 1.367 348 I HN 0.449 nan 8.210 nan 0.000 0.577 349 D N 7.231 127.705 120.400 0.124 0.000 2.458 349 D HA 0.157 4.797 4.640 0.001 0.000 0.243 349 D C -0.558 175.802 176.300 0.100 0.000 1.146 349 D CA 0.561 54.626 54.000 0.108 0.000 0.877 349 D CB 0.625 41.475 40.800 0.083 0.000 1.176 349 D HN 0.339 nan 8.370 nan 0.000 0.461 350 M N 1.756 121.413 119.600 0.096 0.000 2.259 350 M HA 0.097 4.577 4.480 0.001 0.000 0.304 350 M C 1.291 177.626 176.300 0.058 0.000 1.019 350 M CA -0.695 54.666 55.300 0.101 0.000 0.922 350 M CB 2.226 34.910 32.600 0.139 0.000 1.600 350 M HN 0.280 nan 8.290 nan 0.000 0.433 351 T N -1.225 113.353 114.554 0.041 0.000 3.014 351 T HA 0.183 4.534 4.350 0.001 0.000 0.263 351 T C -1.627 173.042 174.700 -0.051 0.000 1.078 351 T CA 0.137 62.235 62.100 -0.004 0.000 1.135 351 T CB -1.126 67.737 68.868 -0.007 0.000 0.895 351 T HN 0.352 nan 8.240 nan 0.000 0.480 352 P HA 0.428 nan 4.420 nan 0.000 0.281 352 P C 0.732 177.915 177.300 -0.196 0.000 1.252 352 P CA -0.437 62.531 63.100 -0.221 0.000 0.778 352 P CB 1.661 33.058 31.700 -0.504 0.000 0.895 353 V N 3.306 123.120 119.914 -0.166 0.000 2.809 353 V HA -0.168 3.952 4.120 0.001 0.000 0.256 353 V C 2.440 178.451 176.094 -0.139 0.000 1.080 353 V CA 1.593 63.819 62.300 -0.123 0.000 1.102 353 V CB -0.896 30.864 31.823 -0.105 0.000 0.705 353 V HN 0.605 nan 8.190 nan 0.000 0.475 354 R N -0.768 119.603 120.500 -0.214 0.000 2.090 354 R HA -0.150 4.191 4.340 0.001 0.000 0.228 354 R C 2.364 178.570 176.300 -0.156 0.000 1.110 354 R CA 1.342 57.322 56.100 -0.201 0.000 0.973 354 R CB -0.226 29.921 30.300 -0.254 0.000 0.869 354 R HN 0.529 nan 8.270 nan 0.000 0.440 355 H N 0.741 119.656 119.070 -0.258 0.000 2.353 355 H HA -0.088 4.468 4.556 0.001 0.000 0.300 355 H C 1.998 177.299 175.328 -0.045 0.000 1.090 355 H CA 1.655 57.518 56.048 -0.308 0.000 1.327 355 H CB -0.352 29.144 29.762 -0.442 0.000 1.383 355 H HN 0.388 nan 8.280 nan 0.000 0.508 356 Q N 0.225 120.054 119.800 0.048 0.000 2.112 356 Q HA -0.175 4.165 4.340 0.001 0.000 0.206 356 Q C 2.461 178.453 176.000 -0.012 0.000 0.987 356 Q CA 1.422 57.226 55.803 0.003 0.000 0.858 356 Q CB -0.041 28.688 28.738 -0.015 0.000 0.905 356 Q HN 0.309 nan 8.270 nan 0.000 0.420 357 R N -0.336 120.157 120.500 -0.013 0.000 2.115 357 R HA -0.054 4.287 4.340 0.001 0.000 0.226 357 R C 2.050 178.362 176.300 0.021 0.000 1.100 357 R CA 0.993 57.085 56.100 -0.013 0.000 0.980 357 R CB -0.065 30.214 30.300 -0.034 0.000 0.875 357 R HN 0.237 nan 8.270 nan 0.000 0.445 358 A N -0.139 122.727 122.820 0.076 0.000 1.930 358 A HA -0.034 4.287 4.320 0.001 0.000 0.215 358 A C 2.123 179.759 177.584 0.087 0.000 1.176 358 A CA 0.867 52.986 52.037 0.135 0.000 0.632 358 A CB -0.209 18.974 19.000 0.305 0.000 0.819 358 A HN 0.171 nan 8.150 nan 0.000 0.445 359 V N 0.262 120.205 119.914 0.049 0.000 2.358 359 V HA -0.268 3.852 4.120 0.001 0.000 0.246 359 V C 2.378 178.364 176.094 -0.179 0.000 1.047 359 V CA 2.267 64.463 62.300 -0.174 0.000 1.035 359 V CB -0.844 30.721 31.823 -0.429 0.000 0.658 359 V HN 0.633 nan 8.190 nan 0.000 0.452 360 E N 0.358 120.493 120.200 -0.108 0.000 2.033 360 E HA -0.256 4.094 4.350 0.001 0.000 0.199 360 E C 2.125 178.732 176.600 0.011 0.000 1.011 360 E CA 1.634 58.026 56.400 -0.013 0.000 0.815 360 E CB -0.292 29.430 29.700 0.036 0.000 0.755 360 E HN 0.522 nan 8.360 nan 0.000 0.451 361 N N 0.442 119.148 118.700 0.010 0.000 2.289 361 N HA -0.153 4.588 4.740 0.001 0.000 0.184 361 N C 1.774 177.288 175.510 0.006 0.000 1.016 361 N CA 0.785 53.843 53.050 0.014 0.000 0.872 361 N CB -0.139 38.357 38.487 0.016 0.000 0.973 361 N HN 0.008 nan 8.380 nan 0.000 0.433 362 R N 1.358 121.855 120.500 -0.005 0.000 2.057 362 R HA 0.025 4.366 4.340 0.001 0.000 0.229 362 R C 2.094 178.398 176.300 0.006 0.000 1.136 362 R CA 0.826 56.917 56.100 -0.015 0.000 0.952 362 R CB -1.169 29.103 30.300 -0.048 0.000 0.848 362 R HN 0.150 nan 8.270 nan 0.000 0.430 363 L N 1.065 122.307 121.223 0.031 0.000 1.990 363 L HA -0.186 4.155 4.340 0.001 0.000 0.213 363 L C 2.317 179.214 176.870 0.045 0.000 1.072 363 L CA 2.042 56.925 54.840 0.072 0.000 0.755 363 L CB -0.507 41.640 42.059 0.146 0.000 0.889 363 L HN 0.186 nan 8.230 nan 0.000 0.432 364 R N -0.905 119.617 120.500 0.037 0.000 2.103 364 R HA -0.192 4.149 4.340 0.001 0.000 0.242 364 R C 2.248 178.553 176.300 0.008 0.000 1.142 364 R CA 1.544 57.659 56.100 0.024 0.000 0.960 364 R CB -0.408 29.905 30.300 0.022 0.000 0.858 364 R HN 0.415 nan 8.270 nan 0.000 0.439 365 E N 0.074 120.275 120.200 0.001 0.000 2.152 365 E HA -0.061 4.290 4.350 0.001 0.000 0.192 365 E C 1.614 178.203 176.600 -0.019 0.000 0.983 365 E CA 1.084 57.477 56.400 -0.013 0.000 0.818 365 E CB 0.136 29.826 29.700 -0.017 0.000 0.758 365 E HN 0.333 nan 8.360 nan 0.000 0.467 366 A N 0.374 123.187 122.820 -0.011 0.000 2.081 366 A HA -0.036 4.285 4.320 0.001 0.000 0.214 366 A C 2.193 179.773 177.584 -0.007 0.000 1.158 366 A CA 0.959 52.984 52.037 -0.020 0.000 0.724 366 A CB -0.174 18.820 19.000 -0.011 0.000 0.826 366 A HN 0.172 nan 8.150 nan 0.000 0.463 367 V N -2.657 117.263 119.914 0.010 0.000 3.461 367 V HA 0.030 4.151 4.120 0.001 0.000 0.267 367 V C 2.049 178.153 176.094 0.017 0.000 1.186 367 V CA 1.189 63.502 62.300 0.021 0.000 1.154 367 V CB -0.888 30.952 31.823 0.028 0.000 0.802 367 V HN 0.512 nan 8.190 nan 0.000 0.474 368 R N 1.160 121.659 120.500 -0.001 0.000 2.105 368 R HA -0.259 4.082 4.340 0.001 0.000 0.239 368 R C 2.276 178.576 176.300 -0.001 0.000 1.135 368 R CA 2.449 58.541 56.100 -0.013 0.000 0.967 368 R CB -0.352 29.931 30.300 -0.029 0.000 0.861 368 R HN 0.710 nan 8.270 nan 0.000 0.442 369 Q N 0.916 120.720 119.800 0.007 0.000 2.170 369 Q HA -0.106 4.234 4.340 0.001 0.000 0.203 369 Q C 0.132 176.191 176.000 0.097 0.000 0.976 369 Q CA 1.042 56.872 55.803 0.045 0.000 0.858 369 Q CB -0.207 28.549 28.738 0.030 0.000 0.907 369 Q HN 0.181 nan 8.270 nan 0.000 0.433 370 D N -1.128 119.323 120.400 0.085 0.000 2.478 370 D HA -0.062 4.579 4.640 0.001 0.000 0.234 370 D C 0.841 177.206 176.300 0.108 0.000 1.154 370 D CA 0.937 54.990 54.000 0.089 0.000 0.874 370 D CB 0.851 41.690 40.800 0.066 0.000 1.198 370 D HN 0.327 nan 8.370 nan 0.000 0.455 371 R N 2.532 123.062 120.500 0.050 0.000 2.210 371 R HA 0.387 4.727 4.340 0.001 0.000 0.203 371 R C 1.299 177.617 176.300 0.029 0.000 1.010 371 R CA 1.049 57.150 56.100 0.000 0.000 1.008 371 R CB -0.846 29.331 30.300 -0.206 0.000 0.923 371 R HN 0.636 nan 8.270 nan 0.000 0.469 372 A N 0.686 123.522 122.820 0.027 0.000 2.366 372 A HA 0.452 4.773 4.320 0.001 0.000 0.250 372 A C 0.303 177.920 177.584 0.055 0.000 1.099 372 A CA -0.434 51.618 52.037 0.025 0.000 0.794 372 A CB 0.089 19.097 19.000 0.014 0.000 1.056 372 A HN 0.556 nan 8.150 nan 0.000 0.499 373 R N 0.605 121.127 120.500 0.036 0.000 2.242 373 R HA 0.432 4.772 4.340 0.001 0.000 0.334 373 R C -1.285 175.028 176.300 0.021 0.000 1.071 373 R CA 0.154 56.274 56.100 0.034 0.000 0.922 373 R CB -0.204 30.109 30.300 0.022 0.000 1.023 373 R HN 0.614 nan 8.270 nan 0.000 0.458 374 I N 4.179 124.761 120.570 0.020 0.000 2.465 374 I HA 0.250 4.420 4.170 0.001 0.000 0.291 374 I C -0.425 175.697 176.117 0.008 0.000 1.014 374 I CA -0.718 60.591 61.300 0.014 0.000 1.093 374 I CB 2.237 40.248 38.000 0.019 0.000 1.267 374 I HN 0.482 nan 8.210 nan 0.000 0.431 375 Q N 6.575 126.377 119.800 0.004 0.000 2.356 375 Q HA 0.677 5.018 4.340 0.001 0.000 0.270 375 Q C -1.262 174.738 176.000 -0.000 0.000 1.058 375 Q CA -0.763 55.040 55.803 -0.001 0.000 0.802 375 Q CB 3.504 32.238 28.738 -0.008 0.000 1.303 375 Q HN 0.524 nan 8.270 nan 0.000 0.444 376 I N 1.464 122.034 120.570 0.000 0.000 2.499 376 I HA 0.244 4.414 4.170 0.001 0.000 0.288 376 I C 0.279 176.382 176.117 -0.024 0.000 1.048 376 I CA -0.359 60.946 61.300 0.008 0.000 1.062 376 I CB 2.115 40.138 38.000 0.037 0.000 1.238 376 I HN 0.718 nan 8.210 nan 0.000 0.426 377 S N 4.801 120.465 115.700 -0.061 0.000 2.495 377 S HA 0.542 5.012 4.470 0.001 0.000 0.273 377 S C 0.120 174.646 174.600 -0.122 0.000 1.156 377 S CA -0.628 57.436 58.200 -0.225 0.000 1.032 377 S CB 0.626 63.674 63.200 -0.252 0.000 1.160 377 S HN 0.570 nan 8.310 nan 0.000 0.489 378 H N -0.444 118.661 119.070 0.058 0.000 2.889 378 H HA 0.512 5.068 4.556 0.001 0.000 0.279 378 H C -0.268 175.116 175.328 0.093 0.000 1.553 378 H CA -1.087 54.998 56.048 0.061 0.000 1.593 378 H CB -0.185 29.601 29.762 0.040 0.000 1.718 378 H HN 0.471 nan 8.280 nan 0.000 0.901 379 I N 2.200 122.935 120.570 0.275 0.000 2.337 379 I HA 0.032 4.202 4.170 0.001 0.000 0.291 379 I C 0.849 177.077 176.117 0.186 0.000 1.046 379 I CA -0.302 61.123 61.300 0.209 0.000 1.324 379 I CB 0.667 38.755 38.000 0.146 0.000 1.409 379 I HN 0.477 nan 8.210 nan 0.000 0.494 380 S N 5.038 120.851 115.700 0.190 0.000 2.624 380 S HA 0.307 4.778 4.470 0.001 0.000 0.263 380 S C 1.730 176.375 174.600 0.075 0.000 1.287 380 S CA -0.133 58.172 58.200 0.174 0.000 0.990 380 S CB 1.034 64.389 63.200 0.260 0.000 0.950 380 S HN 0.752 nan 8.310 nan 0.000 0.561 381 R N 0.003 120.471 120.500 -0.053 0.000 2.204 381 R HA -0.093 4.247 4.340 0.001 0.000 0.253 381 R C 1.595 177.701 176.300 -0.323 0.000 1.172 381 R CA 2.376 58.316 56.100 -0.265 0.000 0.994 381 R CB -1.836 28.174 30.300 -0.482 0.000 0.874 381 R HN 0.810 nan 8.270 nan 0.000 0.462 382 F N -0.835 119.143 119.950 0.047 0.000 2.765 382 F HA 0.367 4.894 4.527 0.001 0.000 0.302 382 F C 2.012 177.846 175.800 0.057 0.000 1.111 382 F CA 0.520 58.546 58.000 0.044 0.000 1.359 382 F CB 0.515 39.536 39.000 0.036 0.000 1.097 382 F HN 0.433 nan 8.300 nan 0.000 0.577 383 G N 1.045 109.964 108.800 0.198 0.000 2.136 383 G HA2 -0.280 3.680 3.960 0.001 0.000 0.242 383 G HA3 -0.280 3.680 3.960 0.001 0.000 0.242 383 G C -0.056 174.973 174.900 0.215 0.000 0.989 383 G CA -0.189 45.018 45.100 0.179 0.000 0.682 383 G HN 0.273 nan 8.290 nan 0.000 0.522 384 L N -0.355 120.998 121.223 0.216 0.000 2.331 384 L HA 0.808 5.149 4.340 0.001 0.000 0.275 384 L C 0.025 177.009 176.870 0.190 0.000 1.022 384 L CA -1.348 53.596 54.840 0.173 0.000 0.812 384 L CB 1.734 43.864 42.059 0.119 0.000 1.257 384 L HN 0.108 nan 8.230 nan 0.000 0.435 385 L N 2.411 123.741 121.223 0.178 0.000 2.325 385 L HA 0.413 4.753 4.340 0.001 0.000 0.281 385 L C -0.536 176.381 176.870 0.077 0.000 1.004 385 L CA -0.027 54.921 54.840 0.179 0.000 0.823 385 L CB 1.389 43.654 42.059 0.343 0.000 1.236 385 L HN 0.508 nan 8.230 nan 0.000 0.415 386 E N 6.700 126.929 120.200 0.049 0.000 2.216 386 E HA 0.647 4.997 4.350 0.001 0.000 0.279 386 E C -0.672 175.932 176.600 0.007 0.000 0.997 386 E CA -0.470 55.937 56.400 0.012 0.000 0.817 386 E CB 1.655 31.352 29.700 -0.004 0.000 1.096 386 E HN 0.719 nan 8.360 nan 0.000 0.393 387 M N -0.689 118.911 119.600 0.001 0.000 2.578 387 M HA 0.545 5.025 4.480 0.001 0.000 0.276 387 M C -1.237 175.059 176.300 -0.006 0.000 1.245 387 M CA -0.906 54.395 55.300 0.001 0.000 0.871 387 M CB 2.317 34.927 32.600 0.017 0.000 1.722 387 M HN 0.390 nan 8.290 nan 0.000 0.473 388 S N 0.794 116.490 115.700 -0.005 0.000 2.542 388 S HA 0.848 5.319 4.470 0.001 0.000 0.293 388 S C -1.091 173.507 174.600 -0.003 0.000 1.089 388 S CA -0.862 57.333 58.200 -0.007 0.000 0.961 388 S CB 2.485 65.680 63.200 -0.009 0.000 1.062 388 S HN 1.000 nan 8.310 nan 0.000 0.483 389 R N 0.870 121.367 120.500 -0.004 0.000 2.621 389 R HA 0.407 4.748 4.340 0.001 0.000 0.284 389 R C -1.553 174.745 176.300 -0.004 0.000 0.998 389 R CA -0.517 55.582 56.100 -0.001 0.000 0.895 389 R CB 1.717 32.017 30.300 -0.001 0.000 1.195 389 R HN 0.728 nan 8.270 nan 0.000 0.450 390 Q N 3.183 122.982 119.800 -0.001 0.000 2.314 390 Q HA 0.194 4.535 4.340 0.001 0.000 0.257 390 Q C -0.759 175.237 176.000 -0.007 0.000 0.975 390 Q CA -0.164 55.636 55.803 -0.004 0.000 0.933 390 Q CB 0.891 29.628 28.738 -0.002 0.000 1.195 390 Q HN 0.447 nan 8.270 nan 0.000 0.426 391 R N 3.859 124.353 120.500 -0.010 0.000 2.502 391 R HA -0.010 4.331 4.340 0.001 0.000 0.292 391 R C 0.335 176.627 176.300 -0.013 0.000 0.998 391 R CA 0.277 56.370 56.100 -0.012 0.000 1.056 391 R CB 0.272 30.564 30.300 -0.014 0.000 0.939 391 R HN 0.869 nan 8.270 nan 0.000 0.411 392 L N 2.265 123.481 121.223 -0.013 0.000 2.313 392 L HA -0.003 4.337 4.340 0.001 0.000 0.214 392 L C 0.802 177.662 176.870 -0.016 0.000 1.119 392 L CA 0.693 55.522 54.840 -0.019 0.000 0.809 392 L CB -0.086 41.960 42.059 -0.022 0.000 0.933 392 L HN 0.743 nan 8.230 nan 0.000 0.449 402 H N -1.796 117.345 119.070 0.118 0.000 3.020 402 H HA 0.127 4.683 4.556 0.001 0.000 0.303 402 H C -1.194 174.167 175.328 0.054 0.000 1.332 402 H CA -0.480 55.605 56.048 0.062 0.000 1.282 402 H CB 0.851 30.628 29.762 0.025 0.000 1.928 402 H HN 0.472 nan 8.280 nan 0.000 0.519 403 V N 1.892 121.900 119.914 0.157 0.000 2.678 403 V HA -0.070 4.050 4.120 0.001 0.000 0.304 403 V C 0.939 177.058 176.094 0.041 0.000 1.086 403 V CA 0.486 62.833 62.300 0.078 0.000 1.246 403 V CB -0.665 31.212 31.823 0.089 0.000 0.861 403 V HN 0.840 nan 8.190 nan 0.000 0.491 404 C N 10.366 129.653 119.300 -0.022 0.000 2.648 404 C HA 0.304 4.765 4.460 0.001 0.000 0.406 404 C C -0.217 174.791 174.990 0.029 0.000 1.406 404 C CA -0.864 58.136 59.018 -0.030 0.000 1.610 404 C CB -0.047 27.673 27.740 -0.034 0.000 2.451 404 C HN 0.970 nan 8.230 nan 0.000 0.608 405 P HA -0.181 nan 4.420 nan 0.000 0.218 405 P C 1.703 179.050 177.300 0.079 0.000 1.152 405 P CA 1.508 64.672 63.100 0.107 0.000 0.857 405 P CB -0.105 31.671 31.700 0.127 0.000 0.787 406 R N -0.455 120.061 120.500 0.028 0.000 2.223 406 R HA 0.019 4.359 4.340 0.001 0.000 0.198 406 R C 0.830 177.087 176.300 -0.072 0.000 0.984 406 R CA 1.270 57.360 56.100 -0.017 0.000 1.018 406 R CB -0.036 30.263 30.300 -0.001 0.000 0.945 406 R HN 0.281 nan 8.270 nan 0.000 0.479 407 C N -1.307 117.966 119.300 -0.046 0.000 2.994 407 C HA 0.562 5.022 4.460 0.001 0.000 0.284 407 C C 1.067 176.032 174.990 -0.042 0.000 1.404 407 C CA -0.182 58.805 59.018 -0.052 0.000 1.775 407 C CB -0.136 27.582 27.740 -0.036 0.000 2.458 407 C HN 0.495 nan 8.230 nan 0.000 0.593 408 S N 0.646 116.327 115.700 -0.032 0.000 3.521 408 S HA 0.195 4.666 4.470 0.001 0.000 0.362 408 S C 1.578 176.176 174.600 -0.003 0.000 1.044 408 S CA 1.386 59.580 58.200 -0.009 0.000 1.091 408 S CB -1.987 61.199 63.200 -0.022 0.000 0.908 408 S HN 2.681 nan 8.310 nan 0.000 0.473 409 G N -1.256 107.542 108.800 -0.004 0.000 2.176 409 G HA2 0.116 4.077 3.960 0.001 0.000 0.252 409 G HA3 0.116 4.077 3.960 0.001 0.000 0.252 409 G C 0.772 175.667 174.900 -0.008 0.000 1.024 409 G CA 1.397 46.496 45.100 -0.002 0.000 0.755 409 G HN 2.620 nan 8.290 nan 0.000 0.507 410 T N -4.139 110.407 114.554 -0.014 0.000 2.870 410 T HA 0.681 5.032 4.350 0.001 0.000 0.277 410 T C 1.751 176.440 174.700 -0.018 0.000 1.000 410 T CA 0.344 62.435 62.100 -0.015 0.000 0.982 410 T CB 1.520 70.378 68.868 -0.017 0.000 1.249 410 T HN 1.075 nan 8.240 nan 0.000 0.589 411 G N 0.385 109.174 108.800 -0.018 0.000 2.471 411 G HA2 0.204 4.165 3.960 0.001 0.000 0.219 411 G HA3 0.204 4.165 3.960 0.001 0.000 0.219 411 G C 0.652 175.539 174.900 -0.021 0.000 1.125 411 G CA 0.968 46.056 45.100 -0.019 0.000 0.775 411 G HN 1.210 nan 8.290 nan 0.000 0.548 412 T N -2.175 112.365 114.554 -0.024 0.000 2.886 412 T HA 0.647 4.998 4.350 0.001 0.000 0.292 412 T C -0.921 173.760 174.700 -0.032 0.000 1.012 412 T CA -0.822 61.262 62.100 -0.026 0.000 0.982 412 T CB 2.585 71.438 68.868 -0.025 0.000 1.018 412 T HN -0.044 nan 8.240 nan 0.000 0.451 413 V N 2.462 122.356 119.914 -0.033 0.000 2.881 413 V HA 0.621 4.742 4.120 0.001 0.000 0.316 413 V C 0.538 176.610 176.094 -0.038 0.000 1.070 413 V CA -1.272 61.004 62.300 -0.040 0.000 0.976 413 V CB 1.897 33.695 31.823 -0.040 0.000 1.038 413 V HN 0.929 nan 8.190 nan 0.000 0.446 414 R N 0.810 121.287 120.500 -0.039 0.000 2.528 414 R HA 0.304 4.645 4.340 0.001 0.000 0.271 414 R C -0.584 175.682 176.300 -0.055 0.000 1.056 414 R CA -0.609 55.466 56.100 -0.041 0.000 1.117 414 R CB 0.605 30.886 30.300 -0.033 0.000 1.085 414 R HN 0.701 nan 8.270 nan 0.000 0.530 415 D N 0.751 121.112 120.400 -0.066 0.000 2.399 415 D HA -0.016 4.625 4.640 0.001 0.000 0.241 415 D C 0.762 176.979 176.300 -0.139 0.000 1.133 415 D CA 0.385 54.327 54.000 -0.096 0.000 0.890 415 D CB 0.690 41.431 40.800 -0.097 0.000 1.201 415 D HN 0.507 nan 8.370 nan 0.000 0.432 416 N N 1.367 119.956 118.700 -0.184 0.000 2.137 416 N HA -0.215 4.525 4.740 0.001 0.000 0.190 416 N C 1.432 176.667 175.510 -0.459 0.000 1.017 416 N CA 0.727 53.617 53.050 -0.268 0.000 0.859 416 N CB 0.204 38.527 38.487 -0.272 0.000 1.002 416 N HN 0.564 nan 8.380 nan 0.000 0.428 417 E N 0.849 120.727 120.200 -0.537 0.000 2.012 417 E HA -0.201 4.150 4.350 0.001 0.000 0.197 417 E C 1.999 178.496 176.600 -0.171 0.000 1.007 417 E CA 1.275 57.378 56.400 -0.495 0.000 0.816 417 E CB -0.102 29.443 29.700 -0.259 0.000 0.762 417 E HN 0.084 nan 8.360 nan 0.000 0.451 418 S N -0.250 115.379 115.700 -0.117 0.000 2.382 418 S HA -0.142 4.329 4.470 0.001 0.000 0.228 418 S C 1.910 176.475 174.600 -0.060 0.000 1.027 418 S CA 0.980 59.144 58.200 -0.060 0.000 0.991 418 S CB -0.341 62.830 63.200 -0.048 0.000 0.823 418 S HN 0.333 nan 8.310 nan 0.000 0.469 419 L N 1.650 122.823 121.223 -0.083 0.000 2.017 419 L HA 0.019 4.360 4.340 0.001 0.000 0.208 419 L C 2.339 179.145 176.870 -0.106 0.000 1.073 419 L CA 2.167 56.959 54.840 -0.080 0.000 0.745 419 L CB -1.497 40.520 42.059 -0.070 0.000 0.894 419 L HN 0.233 nan 8.230 nan 0.000 0.432 420 S N -0.175 115.472 115.700 -0.087 0.000 2.359 420 S HA -0.191 4.280 4.470 0.001 0.000 0.224 420 S C 1.979 176.578 174.600 -0.003 0.000 1.035 420 S CA 1.784 59.974 58.200 -0.015 0.000 1.018 420 S CB -0.575 62.719 63.200 0.156 0.000 0.876 420 S HN 0.484 nan 8.310 nan 0.000 0.448 421 L N 1.049 122.285 121.223 0.022 0.000 2.127 421 L HA -0.128 4.212 4.340 0.001 0.000 0.211 421 L C 2.676 179.533 176.870 -0.022 0.000 1.089 421 L CA 1.185 56.036 54.840 0.018 0.000 0.757 421 L CB -0.492 41.584 42.059 0.027 0.000 0.899 421 L HN 0.322 nan 8.230 nan 0.000 0.434 422 S N 0.099 115.769 115.700 -0.050 0.000 2.357 422 S HA -0.084 4.386 4.470 0.001 0.000 0.221 422 S C 1.960 176.495 174.600 -0.108 0.000 1.031 422 S CA 0.914 59.078 58.200 -0.060 0.000 0.982 422 S CB -0.151 63.018 63.200 -0.052 0.000 0.853 422 S HN 0.310 nan 8.310 nan 0.000 0.458 423 I N 1.179 121.624 120.570 -0.208 0.000 2.286 423 I HA -0.129 4.041 4.170 0.001 0.000 0.248 423 I C 2.294 178.334 176.117 -0.129 0.000 1.115 423 I CA 0.669 61.796 61.300 -0.289 0.000 1.392 423 I CB -0.315 37.416 38.000 -0.447 0.000 1.065 423 I HN 0.306 nan 8.210 nan 0.000 0.418 424 L N 1.336 122.513 121.223 -0.077 0.000 2.012 424 L HA -0.249 4.092 4.340 0.001 0.000 0.210 424 L C 3.012 179.868 176.870 -0.022 0.000 1.073 424 L CA 2.501 57.321 54.840 -0.033 0.000 0.748 424 L CB -0.822 41.232 42.059 -0.010 0.000 0.891 424 L HN 0.199 nan 8.230 nan 0.000 0.431 425 R N -0.763 119.724 120.500 -0.021 0.000 2.115 425 R HA -0.110 4.231 4.340 0.001 0.000 0.230 425 R C 2.012 178.308 176.300 -0.006 0.000 1.111 425 R CA 1.683 57.777 56.100 -0.010 0.000 0.976 425 R CB -1.740 28.557 30.300 -0.006 0.000 0.870 425 R HN 0.441 nan 8.270 nan 0.000 0.445 426 L N 0.383 121.597 121.223 -0.015 0.000 2.072 426 L HA 0.112 4.452 4.340 0.001 0.000 0.205 426 L C 2.336 179.210 176.870 0.008 0.000 1.079 426 L CA 1.436 56.277 54.840 0.003 0.000 0.752 426 L CB -0.343 41.717 42.059 0.002 0.000 0.906 426 L HN 0.416 nan 8.230 nan 0.000 0.436 427 I N -0.322 120.245 120.570 -0.005 0.000 2.163 427 I HA -0.322 3.848 4.170 0.001 0.000 0.243 427 I C 2.513 178.637 176.117 0.010 0.000 1.085 427 I CA 1.743 63.048 61.300 0.008 0.000 1.347 427 I CB -0.258 37.744 38.000 0.004 0.000 1.044 427 I HN 0.399 nan 8.210 nan 0.000 0.408 428 E N 1.107 121.310 120.200 0.005 0.000 2.110 428 E HA -0.254 4.096 4.350 0.001 0.000 0.193 428 E C 2.015 178.619 176.600 0.008 0.000 0.988 428 E CA 1.332 57.736 56.400 0.007 0.000 0.804 428 E CB 0.008 29.710 29.700 0.004 0.000 0.745 428 E HN 0.440 nan 8.360 nan 0.000 0.458 429 E N -0.117 120.088 120.200 0.009 0.000 2.204 429 E HA -0.183 4.168 4.350 0.001 0.000 0.195 429 E C 1.932 178.539 176.600 0.012 0.000 0.990 429 E CA 0.880 57.287 56.400 0.011 0.000 0.821 429 E CB 0.091 29.799 29.700 0.014 0.000 0.750 429 E HN 0.285 nan 8.360 nan 0.000 0.477 430 E N 0.092 120.300 120.200 0.013 0.000 2.112 430 E HA -0.065 4.285 4.350 0.001 0.000 0.190 430 E C 1.946 178.550 176.600 0.006 0.000 0.979 430 E CA 0.739 57.146 56.400 0.011 0.000 0.814 430 E CB -0.037 29.672 29.700 0.014 0.000 0.762 430 E HN 0.202 nan 8.360 nan 0.000 0.460 431 A N 0.924 123.748 122.820 0.008 0.000 2.014 431 A HA -0.043 4.278 4.320 0.001 0.000 0.218 431 A C 2.266 179.853 177.584 0.006 0.000 1.163 431 A CA 0.584 52.626 52.037 0.007 0.000 0.652 431 A CB -0.468 18.539 19.000 0.011 0.000 0.808 431 A HN 0.146 nan 8.150 nan 0.000 0.449 432 L N -0.483 120.744 121.223 0.006 0.000 2.156 432 L HA -0.063 4.278 4.340 0.001 0.000 0.208 432 L C 0.748 177.621 176.870 0.004 0.000 1.095 432 L CA 0.568 55.411 54.840 0.005 0.000 0.770 432 L CB -0.296 41.766 42.059 0.005 0.000 0.914 432 L HN 0.242 nan 8.230 nan 0.000 0.439 433 K N 1.399 121.801 120.400 0.004 0.000 2.469 433 K HA 0.127 4.447 4.320 0.001 0.000 0.274 433 K C 0.490 177.091 176.600 0.001 0.000 0.983 433 K CA 0.057 56.346 56.287 0.002 0.000 0.974 433 K CB 0.250 32.751 32.500 0.002 0.000 0.913 433 K HN 0.117 nan 8.250 nan 0.000 0.493 434 E N 1.980 122.181 120.200 0.001 0.000 2.392 434 E HA -0.023 4.327 4.350 0.001 0.000 0.264 434 E C 0.393 176.992 176.600 -0.001 0.000 1.024 434 E CA 0.088 56.489 56.400 0.001 0.000 0.903 434 E CB 0.140 29.841 29.700 0.001 0.000 0.963 434 E HN 0.775 nan 8.360 nan 0.000 0.432 435 N N 0.098 118.797 118.700 -0.001 0.000 2.882 435 N HA -0.149 4.591 4.740 0.001 0.000 0.249 435 N C -0.479 175.028 175.510 -0.005 0.000 1.079 435 N CA 1.294 54.343 53.050 -0.002 0.000 0.800 435 N CB -1.660 36.825 38.487 -0.002 0.000 1.124 435 N HN 0.609 nan 8.380 nan 0.000 0.557 436 T N 0.509 115.060 114.554 -0.005 0.000 2.743 436 T HA 0.233 4.583 4.350 0.001 0.000 0.293 436 T C 1.126 175.823 174.700 -0.006 0.000 0.945 436 T CA -0.257 61.837 62.100 -0.009 0.000 1.030 436 T CB 1.810 70.674 68.868 -0.008 0.000 0.912 436 T HN 0.231 nan 8.240 nan 0.000 0.483 437 Q N 2.584 122.378 119.800 -0.010 0.000 2.200 437 Q HA 0.177 4.517 4.340 0.001 0.000 0.197 437 Q C 0.110 176.114 176.000 0.007 0.000 0.953 437 Q CA 1.226 57.029 55.803 -0.000 0.000 0.851 437 Q CB 0.566 29.304 28.738 0.000 0.000 0.938 437 Q HN 0.775 nan 8.270 nan 0.000 0.488 438 E N -1.216 118.975 120.200 -0.014 0.000 2.408 438 E HA 0.516 4.867 4.350 0.001 0.000 0.275 438 E C -2.011 174.552 176.600 -0.061 0.000 0.935 438 E CA -0.759 55.641 56.400 0.001 0.000 0.775 438 E CB 2.878 32.611 29.700 0.055 0.000 1.277 438 E HN -0.052 nan 8.360 nan 0.000 0.455 439 V N 2.431 122.354 119.914 0.015 0.000 2.482 439 V HA 0.344 4.465 4.120 0.001 0.000 0.295 439 V C -1.593 174.595 176.094 0.156 0.000 1.026 439 V CA -0.369 61.933 62.300 0.003 0.000 0.856 439 V CB 1.084 32.920 31.823 0.022 0.000 1.001 439 V HN 0.702 nan 8.190 nan 0.000 0.424 440 H N 5.778 124.863 119.070 0.025 0.000 2.519 440 H HA 0.692 5.248 4.556 0.001 0.000 0.316 440 H C 0.204 175.546 175.328 0.023 0.000 1.065 440 H CA -0.268 55.796 56.048 0.025 0.000 1.264 440 H CB 1.801 31.579 29.762 0.027 0.000 1.413 440 H HN 0.856 nan 8.280 nan 0.000 0.465 441 A N 5.342 128.258 122.820 0.161 0.000 2.341 441 A HA 0.317 4.637 4.320 0.001 0.000 0.326 441 A C -0.041 177.620 177.584 0.128 0.000 1.402 441 A CA -0.637 51.475 52.037 0.125 0.000 0.957 441 A CB -0.358 18.684 19.000 0.070 0.000 1.151 441 A HN 0.723 nan 8.150 nan 0.000 0.533 442 I N 4.346 125.018 120.570 0.171 0.000 2.281 442 I HA 0.290 4.461 4.170 0.001 0.000 0.293 442 I C 0.098 176.338 176.117 0.204 0.000 1.085 442 I CA -0.335 61.066 61.300 0.169 0.000 1.257 442 I CB 0.662 38.762 38.000 0.167 0.000 1.430 442 I HN 0.472 nan 8.210 nan 0.000 0.489 443 V N 4.300 124.305 119.914 0.152 0.000 2.919 443 V HA 0.705 4.825 4.120 0.001 0.000 0.316 443 V C -2.649 173.520 176.094 0.125 0.000 1.077 443 V CA -2.830 59.560 62.300 0.151 0.000 0.977 443 V CB 1.334 33.211 31.823 0.090 0.000 1.039 443 V HN 0.309 nan 8.190 nan 0.000 0.441 444 P HA 0.144 nan 4.420 nan 0.000 0.270 444 P C 1.065 178.411 177.300 0.076 0.000 1.227 444 P CA 0.009 63.167 63.100 0.097 0.000 0.788 444 P CB 0.549 32.306 31.700 0.094 0.000 0.926 445 V N 3.291 123.244 119.914 0.064 0.000 2.287 445 V HA -0.154 3.966 4.120 0.001 0.000 0.248 445 V C -0.581 175.546 176.094 0.055 0.000 1.053 445 V CA 2.451 64.784 62.300 0.054 0.000 1.027 445 V CB -2.227 29.622 31.823 0.043 0.000 0.646 445 V HN 0.714 nan 8.190 nan 0.000 0.447 446 P HA -0.109 nan 4.420 nan 0.000 0.220 446 P C 1.725 179.070 177.300 0.074 0.000 1.148 446 P CA 1.350 64.482 63.100 0.054 0.000 0.803 446 P CB -0.063 31.657 31.700 0.032 0.000 0.782 447 I N 0.352 120.961 120.570 0.064 0.000 2.286 447 I HA -0.108 4.062 4.170 0.001 0.000 0.245 447 I C 2.497 178.672 176.117 0.097 0.000 1.104 447 I CA 1.235 62.579 61.300 0.073 0.000 1.397 447 I CB -2.009 36.016 38.000 0.042 0.000 1.072 447 I HN -0.079 nan 8.210 nan 0.000 0.417 448 A N 0.124 122.989 122.820 0.076 0.000 1.972 448 A HA -0.199 4.121 4.320 0.001 0.000 0.219 448 A C 2.629 180.251 177.584 0.064 0.000 1.169 448 A CA 2.086 54.162 52.037 0.065 0.000 0.635 448 A CB -0.702 18.333 19.000 0.059 0.000 0.810 448 A HN 0.413 nan 8.150 nan 0.000 0.446 449 S N -2.192 113.554 115.700 0.077 0.000 2.371 449 S HA -0.151 4.319 4.470 0.001 0.000 0.224 449 S C 1.882 176.536 174.600 0.089 0.000 1.029 449 S CA 1.420 59.662 58.200 0.070 0.000 0.978 449 S CB -0.479 62.764 63.200 0.072 0.000 0.833 449 S HN 0.660 nan 8.310 nan 0.000 0.466 450 Y N 1.657 121.957 120.300 -0.000 0.000 2.220 450 Y HA 0.089 4.640 4.550 0.000 0.000 0.291 450 Y C 1.915 177.810 175.900 -0.008 0.000 1.129 450 Y CA 1.430 59.527 58.100 -0.005 0.000 1.161 450 Y CB -0.254 38.201 38.460 -0.008 0.000 0.997 450 Y HN 0.221 nan 8.280 nan 0.000 0.522 451 L N -0.536 120.750 121.223 0.105 0.000 2.017 451 L HA -0.219 4.122 4.340 0.001 0.000 0.208 451 L C 1.915 178.755 176.870 -0.050 0.000 1.073 451 L CA 1.276 56.125 54.840 0.016 0.000 0.745 451 L CB -0.424 41.664 42.059 0.048 0.000 0.894 451 L HN 0.240 nan 8.230 nan 0.000 0.432 452 L N -0.668 120.540 121.223 -0.025 0.000 2.591 452 L HA 0.050 4.390 4.340 0.001 0.000 0.228 452 L C 1.448 178.289 176.870 -0.048 0.000 1.133 452 L CA -0.081 54.743 54.840 -0.026 0.000 0.880 452 L CB -0.217 41.842 42.059 -0.000 0.000 1.033 452 L HN 0.327 nan 8.230 nan 0.000 0.450 453 N N -0.721 117.925 118.700 -0.090 0.000 3.170 453 N HA -0.001 4.740 4.740 0.001 0.000 0.235 453 N C 1.420 176.826 175.510 -0.174 0.000 1.037 453 N CA 0.235 53.223 53.050 -0.104 0.000 1.160 453 N CB 0.093 38.535 38.487 -0.074 0.000 1.606 453 N HN -0.020 nan 8.380 nan 0.000 0.580 454 E N 1.297 121.309 120.200 -0.313 0.000 2.118 454 E HA -0.038 4.313 4.350 0.001 0.000 0.195 454 E C 0.730 177.115 176.600 -0.359 0.000 0.992 454 E CA 1.230 57.376 56.400 -0.424 0.000 0.804 454 E CB 0.163 29.345 29.700 -0.864 0.000 0.741 454 E HN 0.101 nan 8.360 nan 0.000 0.458 455 K N -0.129 120.063 120.400 -0.347 0.000 2.399 455 K HA 0.181 4.501 4.320 0.001 0.000 0.204 455 K C 1.307 177.844 176.600 -0.106 0.000 1.023 455 K CA -0.084 56.087 56.287 -0.193 0.000 1.127 455 K CB 0.417 32.830 32.500 -0.145 0.000 0.856 455 K HN 0.019 nan 8.250 nan 0.000 0.514 456 R N 0.786 121.225 120.500 -0.101 0.000 2.103 456 R HA -0.149 4.192 4.340 0.001 0.000 0.242 456 R C 2.005 178.279 176.300 -0.043 0.000 1.142 456 R CA 1.823 57.887 56.100 -0.059 0.000 0.960 456 R CB -0.015 30.253 30.300 -0.053 0.000 0.858 456 R HN 0.024 nan 8.270 nan 0.000 0.439 457 S N -0.491 115.181 115.700 -0.048 0.000 2.359 457 S HA -0.157 4.313 4.470 0.001 0.000 0.224 457 S C 1.828 176.413 174.600 -0.026 0.000 1.035 457 S CA 1.380 59.560 58.200 -0.033 0.000 1.018 457 S CB -0.173 63.006 63.200 -0.035 0.000 0.876 457 S HN 0.586 nan 8.310 nan 0.000 0.448 458 A N 0.364 123.166 122.820 -0.030 0.000 1.968 458 A HA 0.032 4.353 4.320 0.001 0.000 0.217 458 A C 2.199 179.775 177.584 -0.014 0.000 1.169 458 A CA 1.328 53.353 52.037 -0.020 0.000 0.638 458 A CB -0.576 18.412 19.000 -0.019 0.000 0.812 458 A HN 0.421 nan 8.150 nan 0.000 0.446 459 V N 0.982 120.886 119.914 -0.017 0.000 2.358 459 V HA -0.228 3.892 4.120 0.001 0.000 0.246 459 V C 2.204 178.296 176.094 -0.003 0.000 1.047 459 V CA 1.900 64.195 62.300 -0.008 0.000 1.035 459 V CB -0.948 30.870 31.823 -0.009 0.000 0.658 459 V HN 0.537 nan 8.190 nan 0.000 0.452 460 N N 0.938 119.634 118.700 -0.007 0.000 2.120 460 N HA -0.132 4.608 4.740 0.001 0.000 0.188 460 N C 1.961 177.470 175.510 -0.002 0.000 1.024 460 N CA 1.731 54.779 53.050 -0.004 0.000 0.852 460 N CB -0.432 38.051 38.487 -0.007 0.000 1.003 460 N HN 0.499 nan 8.380 nan 0.000 0.424 461 A N 1.210 124.028 122.820 -0.004 0.000 1.933 461 A HA -0.081 4.240 4.320 0.001 0.000 0.218 461 A C 2.329 179.913 177.584 0.000 0.000 1.175 461 A CA 0.914 52.949 52.037 -0.003 0.000 0.628 461 A CB -0.590 18.407 19.000 -0.005 0.000 0.814 461 A HN 0.211 nan 8.150 nan 0.000 0.444 462 I N -0.900 119.671 120.570 0.002 0.000 2.202 462 I HA -0.222 3.949 4.170 0.001 0.000 0.242 462 I C 2.519 178.641 176.117 0.007 0.000 1.091 462 I CA 1.520 62.822 61.300 0.005 0.000 1.368 462 I CB -0.364 37.640 38.000 0.006 0.000 1.058 462 I HN 0.380 nan 8.210 nan 0.000 0.410 463 E N -0.158 120.047 120.200 0.009 0.000 2.110 463 E HA -0.237 4.114 4.350 0.001 0.000 0.193 463 E C 2.168 178.773 176.600 0.009 0.000 0.988 463 E CA 1.730 58.137 56.400 0.011 0.000 0.804 463 E CB -0.024 29.684 29.700 0.013 0.000 0.745 463 E HN 0.380 nan 8.360 nan 0.000 0.458 464 T N -0.505 114.052 114.554 0.006 0.000 3.014 464 T HA -0.013 4.338 4.350 0.001 0.000 0.263 464 T C 1.744 176.446 174.700 0.004 0.000 1.078 464 T CA 0.638 62.741 62.100 0.004 0.000 1.135 464 T CB 0.107 68.976 68.868 0.003 0.000 0.895 464 T HN 0.011 nan 8.240 nan 0.000 0.480 465 R N 0.052 120.555 120.500 0.004 0.000 2.127 465 R HA 0.149 4.490 4.340 0.001 0.000 0.217 465 R C 0.567 176.870 176.300 0.005 0.000 1.074 465 R CA 0.609 56.711 56.100 0.004 0.000 0.991 465 R CB 0.174 30.476 30.300 0.003 0.000 0.895 465 R HN 0.341 nan 8.270 nan 0.000 0.450 466 Q N 1.755 121.559 119.800 0.006 0.000 2.963 466 Q HA 0.069 4.409 4.340 0.001 0.000 0.262 466 Q C -1.050 174.955 176.000 0.008 0.000 1.318 466 Q CA -0.121 55.686 55.803 0.007 0.000 1.089 466 Q CB 0.231 28.974 28.738 0.008 0.000 1.424 466 Q HN 0.044 nan 8.270 nan 0.000 0.560 467 D N 0.677 121.081 120.400 0.007 0.000 2.536 467 D HA 0.096 4.737 4.640 0.001 0.000 0.260 467 D C 1.181 177.486 176.300 0.008 0.000 1.270 467 D CA 1.711 55.716 54.000 0.007 0.000 0.934 467 D CB -0.040 40.763 40.800 0.005 0.000 1.129 467 D HN 0.690 nan 8.370 nan 0.000 0.533 468 G N 2.223 111.029 108.800 0.010 0.000 2.231 468 G HA2 -0.196 3.765 3.960 0.001 0.000 0.206 468 G HA3 -0.196 3.765 3.960 0.001 0.000 0.206 468 G C 0.131 175.040 174.900 0.015 0.000 0.996 468 G CA -0.003 45.104 45.100 0.012 0.000 0.645 468 G HN 0.585 nan 8.290 nan 0.000 0.498 469 V N 1.792 121.716 119.914 0.016 0.000 2.385 469 V HA 0.721 4.841 4.120 0.001 0.000 0.269 469 V C 0.979 177.091 176.094 0.031 0.000 1.043 469 V CA 0.141 62.453 62.300 0.021 0.000 0.906 469 V CB 0.719 32.552 31.823 0.016 0.000 0.995 469 V HN 0.830 nan 8.190 nan 0.000 0.467 470 R N 3.125 123.652 120.500 0.044 0.000 2.248 470 R HA 0.387 4.728 4.340 0.001 0.000 0.328 470 R C -0.240 176.110 176.300 0.083 0.000 1.067 470 R CA -0.304 55.832 56.100 0.061 0.000 0.924 470 R CB -0.075 30.270 30.300 0.075 0.000 1.013 470 R HN 0.870 nan 8.270 nan 0.000 0.454 471 C N 3.495 122.835 119.300 0.066 0.000 2.256 471 C HA 0.458 4.918 4.460 0.001 0.000 0.333 471 C C 0.278 175.314 174.990 0.077 0.000 1.183 471 C CA -0.966 58.096 59.018 0.073 0.000 1.692 471 C CB -0.253 27.514 27.740 0.044 0.000 2.274 471 C HN 0.671 nan 8.230 nan 0.000 0.509 472 V N 6.356 126.340 119.914 0.117 0.000 2.311 472 V HA 0.357 4.478 4.120 0.001 0.000 0.275 472 V C 0.076 176.202 176.094 0.053 0.000 1.022 472 V CA -0.090 62.243 62.300 0.055 0.000 0.830 472 V CB 0.796 32.591 31.823 -0.046 0.000 1.012 472 V HN 0.701 nan 8.190 nan 0.000 0.452 473 I N 5.433 126.027 120.570 0.039 0.000 2.306 473 I HA 0.369 4.540 4.170 0.001 0.000 0.288 473 I C -0.270 175.873 176.117 0.042 0.000 1.036 473 I CA -0.469 60.857 61.300 0.044 0.000 1.221 473 I CB 1.719 39.740 38.000 0.036 0.000 1.385 473 I HN 0.381 nan 8.210 nan 0.000 0.472 474 V N 9.742 129.687 119.914 0.052 0.000 2.347 474 V HA 0.493 4.613 4.120 0.001 0.000 0.280 474 V C -2.104 174.035 176.094 0.076 0.000 1.021 474 V CA -2.171 60.165 62.300 0.060 0.000 0.847 474 V CB 1.822 33.675 31.823 0.050 0.000 0.990 474 V HN 0.474 nan 8.190 nan 0.000 0.444 475 P HA 0.165 nan 4.420 nan 0.000 0.267 475 P C -1.086 176.261 177.300 0.077 0.000 1.205 475 P CA 0.090 63.232 63.100 0.070 0.000 0.765 475 P CB 0.523 32.255 31.700 0.054 0.000 0.828 476 N N 2.643 121.391 118.700 0.080 0.000 2.540 476 N HA 0.090 4.831 4.740 0.001 0.000 0.275 476 N C 0.206 175.758 175.510 0.069 0.000 1.053 476 N CA -0.571 52.527 53.050 0.081 0.000 0.876 476 N CB 0.556 39.101 38.487 0.097 0.000 1.284 476 N HN 0.194 nan 8.380 nan 0.000 0.518 477 D N 1.701 122.135 120.400 0.055 0.000 2.378 477 D HA -0.072 4.568 4.640 0.001 0.000 0.227 477 D C 0.664 176.990 176.300 0.044 0.000 1.012 477 D CA 0.734 54.761 54.000 0.045 0.000 0.905 477 D CB 0.334 41.153 40.800 0.032 0.000 0.895 477 D HN 0.374 nan 8.370 nan 0.000 0.532 478 Q N -0.447 119.383 119.800 0.050 0.000 2.398 478 Q HA 0.219 4.559 4.340 0.001 0.000 0.204 478 Q C 0.719 176.744 176.000 0.042 0.000 0.932 478 Q CA 0.449 56.278 55.803 0.042 0.000 0.916 478 Q CB 0.242 29.005 28.738 0.042 0.000 1.024 478 Q HN 0.466 nan 8.270 nan 0.000 0.504 479 M N 0.556 120.193 119.600 0.062 0.000 2.528 479 M HA 0.268 4.748 4.480 0.001 0.000 0.318 479 M C 0.269 176.625 176.300 0.093 0.000 1.195 479 M CA -0.311 55.036 55.300 0.077 0.000 1.000 479 M CB 1.553 34.220 32.600 0.112 0.000 1.615 479 M HN -0.104 nan 8.290 nan 0.000 0.469 480 E N -0.504 119.776 120.200 0.132 0.000 2.493 480 E HA 0.321 4.671 4.350 0.001 0.000 0.243 480 E C 0.074 176.758 176.600 0.140 0.000 0.875 480 E CA -0.675 55.798 56.400 0.122 0.000 0.872 480 E CB 0.788 30.548 29.700 0.099 0.000 1.476 480 E HN 0.664 nan 8.360 nan 0.000 0.394 481 T N -0.405 114.194 114.554 0.074 0.000 3.043 481 T HA 0.063 4.414 4.350 0.001 0.000 0.263 481 T C -1.020 173.681 174.700 0.003 0.000 1.094 481 T CA 0.393 62.517 62.100 0.040 0.000 1.127 481 T CB -0.743 68.134 68.868 0.015 0.000 0.905 481 T HN 0.242 nan 8.240 nan 0.000 0.490 482 P HA -0.001 nan 4.420 nan 0.000 0.218 482 P C 0.326 177.492 177.300 -0.224 0.000 1.152 482 P CA 0.871 63.849 63.100 -0.203 0.000 0.826 482 P CB -0.192 31.277 31.700 -0.385 0.000 0.790 483 H N 0.051 119.119 119.070 -0.004 0.000 2.607 483 H HA 0.305 4.862 4.556 0.001 0.000 0.367 483 H C 0.341 175.665 175.328 -0.008 0.000 1.181 483 H CA 0.468 56.448 56.048 -0.113 0.000 1.402 483 H CB 0.389 30.093 29.762 -0.096 0.000 1.474 483 H HN 0.208 nan 8.280 nan 0.000 0.596 484 Y N -1.888 118.403 120.300 -0.016 0.000 2.952 484 Y HA 0.464 5.014 4.550 0.001 0.000 0.346 484 Y C -1.667 174.093 175.900 -0.234 0.000 1.388 484 Y CA -1.134 56.940 58.100 -0.043 0.000 1.097 484 Y CB 1.167 39.623 38.460 -0.006 0.000 1.732 484 Y HN 0.649 nan 8.280 nan 0.000 0.431 485 H N -0.685 118.604 119.070 0.365 0.000 3.038 485 H HA 0.750 5.306 4.556 0.001 0.000 0.362 485 H C -1.881 173.599 175.328 0.253 0.000 1.167 485 H CA -0.973 55.199 56.048 0.207 0.000 1.197 485 H CB 2.526 32.325 29.762 0.061 0.000 1.840 485 H HN 0.647 nan 8.280 nan 0.000 0.540 486 V N 4.645 124.765 119.914 0.343 0.000 2.380 486 V HA 0.279 4.399 4.120 0.001 0.000 0.286 486 V C -0.900 175.256 176.094 0.103 0.000 1.015 486 V CA -0.516 61.899 62.300 0.192 0.000 0.834 486 V CB 0.946 32.867 31.823 0.163 0.000 1.009 486 V HN 0.409 nan 8.190 nan 0.000 0.428 487 L N 4.467 125.703 121.223 0.022 0.000 2.331 487 L HA 0.859 5.199 4.340 0.001 0.000 0.275 487 L C 0.590 177.401 176.870 -0.098 0.000 1.022 487 L CA -0.056 54.739 54.840 -0.076 0.000 0.812 487 L CB 1.489 43.403 42.059 -0.243 0.000 1.257 487 L HN 0.725 nan 8.230 nan 0.000 0.435 488 R N 1.916 122.365 120.500 -0.084 0.000 2.393 488 R HA 0.803 5.143 4.340 0.001 0.000 0.310 488 R C -1.162 175.071 176.300 -0.110 0.000 0.968 488 R CA -0.578 55.470 56.100 -0.087 0.000 0.867 488 R CB 1.124 31.401 30.300 -0.037 0.000 1.124 488 R HN 0.432 nan 8.270 nan 0.000 0.450 489 V N 2.752 122.580 119.914 -0.144 0.000 2.326 489 V HA 0.682 4.802 4.120 0.001 0.000 0.281 489 V C 0.922 176.980 176.094 -0.061 0.000 1.015 489 V CA -0.777 61.451 62.300 -0.121 0.000 0.823 489 V CB 0.769 32.469 31.823 -0.205 0.000 1.009 489 V HN 1.191 nan 8.190 nan 0.000 0.436 490 R N 3.753 124.232 120.500 -0.035 0.000 2.679 490 R HA 0.379 4.719 4.340 0.001 0.000 0.269 490 R C 0.353 176.645 176.300 -0.014 0.000 1.076 490 R CA -0.466 55.622 56.100 -0.020 0.000 1.160 490 R CB 0.015 30.307 30.300 -0.013 0.000 1.054 490 R HN 0.746 nan 8.270 nan 0.000 0.507 491 K N 0.691 121.087 120.400 -0.008 0.000 2.453 491 K HA 0.231 4.551 4.320 0.001 0.000 0.280 491 K C 0.912 177.510 176.600 -0.003 0.000 1.045 491 K CA 1.528 57.813 56.287 -0.004 0.000 1.059 491 K CB 0.540 33.039 32.500 -0.001 0.000 0.901 491 K HN 1.057 nan 8.250 nan 0.000 0.475 492 G N 3.150 111.949 108.800 -0.001 0.000 2.238 492 G HA2 -0.240 3.720 3.960 0.001 0.000 0.217 492 G HA3 -0.240 3.720 3.960 0.001 0.000 0.217 492 G C 0.581 175.480 174.900 -0.002 0.000 0.996 492 G CA -0.181 44.918 45.100 -0.001 0.000 0.632 492 G HN 0.678 nan 8.290 nan 0.000 0.503 493 E N 1.083 121.281 120.200 -0.004 0.000 2.479 493 E HA 0.098 4.448 4.350 0.001 0.000 0.193 493 E C 0.806 177.405 176.600 -0.001 0.000 1.049 493 E CA 0.233 56.630 56.400 -0.005 0.000 0.870 493 E CB 0.187 29.883 29.700 -0.007 0.000 0.944 493 E HN 0.755 nan 8.360 nan 0.000 0.492 494 E N 2.404 122.608 120.200 0.006 0.000 2.360 494 E HA 0.033 4.383 4.350 0.001 0.000 0.269 494 E C 0.056 176.666 176.600 0.016 0.000 1.022 494 E CA 0.067 56.483 56.400 0.026 0.000 0.887 494 E CB 0.878 30.602 29.700 0.041 0.000 0.990 494 E HN -0.109 nan 8.360 nan 0.000 0.426 495 T N -0.726 113.839 114.554 0.017 0.000 2.936 495 T HA 0.454 4.804 4.350 0.001 0.000 0.282 495 T C -1.765 172.930 174.700 -0.008 0.000 1.003 495 T CA -1.665 60.430 62.100 -0.007 0.000 1.005 495 T CB 1.274 70.123 68.868 -0.032 0.000 1.097 495 T HN 0.423 nan 8.240 nan 0.000 0.532 496 P HA 0.216 nan 4.420 nan 0.000 0.244 496 P C -0.261 177.006 177.300 -0.056 0.000 1.632 496 P CA -0.344 62.738 63.100 -0.029 0.000 0.944 496 P CB -0.730 30.955 31.700 -0.026 0.000 1.569 497 T N 1.284 115.797 114.554 -0.069 0.000 2.901 497 T HA 0.181 4.532 4.350 0.001 0.000 0.301 497 T C 0.745 175.351 174.700 -0.158 0.000 1.012 497 T CA -0.100 61.931 62.100 -0.115 0.000 1.135 497 T CB 0.583 69.379 68.868 -0.121 0.000 0.936 497 T HN 0.032 nan 8.240 nan 0.000 0.539 498 L N 2.862 123.942 121.223 -0.238 0.000 2.456 498 L HA 0.064 4.405 4.340 0.001 0.000 0.272 498 L C 2.179 178.844 176.870 -0.342 0.000 1.189 498 L CA -0.366 54.274 54.840 -0.334 0.000 0.846 498 L CB 0.428 42.130 42.059 -0.595 0.000 1.111 498 L HN 0.925 nan 8.230 nan 0.000 0.475 499 S N 2.333 117.898 115.700 -0.225 0.000 2.378 499 S HA -0.322 4.148 4.470 0.001 0.000 0.229 499 S C 1.628 176.179 174.600 -0.082 0.000 1.052 499 S CA 2.088 60.212 58.200 -0.127 0.000 1.084 499 S CB -0.927 62.267 63.200 -0.011 0.000 0.950 499 S HN 0.731 nan 8.310 nan 0.000 0.440 500 Y N -0.693 119.593 120.300 -0.024 0.000 2.561 500 Y HA 0.461 5.012 4.550 0.001 0.000 0.291 500 Y C 1.984 177.882 175.900 -0.003 0.000 1.141 500 Y CA 0.010 58.105 58.100 -0.008 0.000 1.303 500 Y CB -0.328 38.131 38.460 -0.002 0.000 1.015 500 Y HN 0.131 nan 8.280 nan 0.000 0.547 501 M N 0.383 119.805 119.600 -0.296 0.000 2.428 501 M HA 0.189 4.670 4.480 0.001 0.000 0.239 501 M C 1.231 177.475 176.300 -0.095 0.000 1.121 501 M CA 0.341 55.531 55.300 -0.184 0.000 1.019 501 M CB -0.247 32.167 32.600 -0.310 0.000 1.485 501 M HN 0.516 nan 8.290 nan 0.000 0.484 502 L N 0.021 121.206 121.223 -0.063 0.000 2.131 502 L HA -0.062 4.278 4.340 0.001 0.000 0.206 502 L C -0.499 176.449 176.870 0.129 0.000 1.087 502 L CA 0.946 55.790 54.840 0.006 0.000 0.767 502 L CB -1.846 40.209 42.059 -0.007 0.000 0.917 502 L HN 0.140 nan 8.230 nan 0.000 0.441 503 P HA -0.253 nan 4.420 nan 0.000 0.215 503 P C 1.704 179.057 177.300 0.088 0.000 1.163 503 P CA 2.430 65.598 63.100 0.113 0.000 0.894 503 P CB -0.015 31.741 31.700 0.092 0.000 0.791 504 K N -0.294 120.137 120.400 0.051 0.000 2.026 504 K HA -0.153 4.167 4.320 0.001 0.000 0.208 504 K C 2.059 178.661 176.600 0.004 0.000 1.048 504 K CA 1.977 58.280 56.287 0.026 0.000 0.929 504 K CB -1.895 30.615 32.500 0.016 0.000 0.713 504 K HN 0.076 nan 8.250 nan 0.000 0.439 505 L N 1.016 122.218 121.223 -0.034 0.000 1.971 505 L HA -0.122 4.218 4.340 0.001 0.000 0.215 505 L C 1.442 178.250 176.870 -0.104 0.000 1.072 505 L CA 1.708 56.484 54.840 -0.107 0.000 0.758 505 L CB -0.749 41.190 42.059 -0.201 0.000 0.889 505 L HN 0.650 nan 8.230 nan 0.000 0.433 506 H N 0.000 119.065 119.070 -0.008 0.000 2.539 506 H HA 0.000 4.556 4.556 0.001 0.000 0.296 506 H CA 0.000 56.033 56.048 -0.025 0.000 1.023 506 H CB 0.000 29.744 29.762 -0.030 0.000 1.292 506 H HN 0.000 nan 8.280 nan 0.000 0.496