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 2y0f_1_C DATA FIRST_RESID 4 DATA SEQUENCE MRRPTPTVYV GRVPIGGAHP IAVQSMTNTP TRDVEATTAQ VLELHRAGSE DATA SEQUENCE IVRLTVNDEE AAKAVPEIKR RLLAEGVEVP LVGDFHFNGH LLLRKYPKMA DATA SEQUENCE EALDKFRINP GTLXXXXXXX XHFAEMIRIA MDLGKPVRIG ANWGSLDPAL DATA SEQUENCE LTELMDRNAS RPEPKSAHEV VLEALVESAV RAYEAALEMG LGEDKLVLSA DATA SEQUENCE KVSKARDLVW VYRELARRTQ APLHLGLTEA GMGVKGIVAS AAALAPLLLE DATA SEQUENCE GIGDTIRVSL TPXXXEPRTK EVEVAQEILQ ALGLRAFAPE VTSCPGCGRT DATA SEQUENCE TSTFFQELAE EVSRRLKERL PEWRARYPGV EELKVAVMGC VVNGPGESKH DATA SEQUENCE AHIGISLPGA GEEPKAPVYA DGKLLTILKG EGIAEEFLRL VEDYVKTRFA DATA SEQUENCE PKA 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 4 M HA 0.000 nan 4.480 nan 0.000 0.227 4 M C 0.000 176.289 176.300 -0.019 0.000 1.140 4 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 4 M CB 0.000 32.583 32.600 -0.029 0.000 1.302 5 R N 3.785 124.273 120.500 -0.020 0.000 2.504 5 R HA 0.167 4.507 4.340 0.000 0.000 0.291 5 R C 0.040 176.333 176.300 -0.012 0.000 0.974 5 R CA 0.412 56.503 56.100 -0.016 0.000 1.077 5 R CB 0.235 30.523 30.300 -0.019 0.000 0.926 5 R HN 0.378 nan 8.270 nan 0.000 0.407 6 R N 6.315 126.812 120.500 -0.006 0.000 2.446 6 R HA 0.064 4.404 4.340 0.000 0.000 0.325 6 R C -1.948 174.352 176.300 0.000 0.000 0.997 6 R CA -1.286 54.813 56.100 -0.002 0.000 1.010 6 R CB 0.241 30.543 30.300 0.002 0.000 0.946 6 R HN 0.470 nan 8.270 nan 0.000 0.422 7 P HA 0.050 nan 4.420 nan 0.000 0.269 7 P C -0.887 176.421 177.300 0.014 0.000 1.209 7 P CA 0.004 63.105 63.100 0.001 0.000 0.776 7 P CB 1.209 32.910 31.700 0.001 0.000 0.876 8 T N -1.004 113.564 114.554 0.023 0.000 2.816 8 T HA 0.628 4.978 4.350 0.000 0.000 0.299 8 T C -2.938 171.790 174.700 0.046 0.000 1.230 8 T CA -2.100 60.023 62.100 0.038 0.000 1.007 8 T CB 0.708 69.603 68.868 0.044 0.000 1.289 8 T HN 0.086 nan 8.240 nan 0.000 0.508 9 P HA 0.284 nan 4.420 nan 0.000 0.270 9 P C -0.387 176.946 177.300 0.054 0.000 1.223 9 P CA -0.163 62.972 63.100 0.058 0.000 0.785 9 P CB -0.047 31.690 31.700 0.061 0.000 0.923 10 T N 0.557 115.140 114.554 0.047 0.000 2.806 10 T HA 0.325 4.675 4.350 0.000 0.000 0.290 10 T C 0.006 174.656 174.700 -0.083 0.000 0.966 10 T CA -0.374 61.705 62.100 -0.035 0.000 1.060 10 T CB 0.472 69.295 68.868 -0.075 0.000 0.927 10 T HN 0.085 nan 8.240 nan 0.000 0.485 11 V N 4.363 124.195 119.914 -0.136 0.000 2.304 11 V HA 0.245 4.365 4.120 0.000 0.000 0.278 11 V C -0.718 175.272 176.094 -0.174 0.000 1.018 11 V CA -1.096 61.156 62.300 -0.080 0.000 0.814 11 V CB -0.102 31.714 31.823 -0.012 0.000 1.021 11 V HN 0.800 nan 8.190 nan 0.000 0.440 12 Y N 3.176 123.447 120.300 -0.050 0.000 2.605 12 Y HA 0.170 4.720 4.550 0.000 0.000 0.336 12 Y C 0.638 176.511 175.900 -0.045 0.000 1.111 12 Y CA 0.207 58.271 58.100 -0.060 0.000 1.422 12 Y CB 0.702 39.129 38.460 -0.056 0.000 1.193 12 Y HN 0.397 nan 8.280 nan 0.000 0.526 13 V N 5.353 125.313 119.914 0.076 0.000 2.288 13 V HA 0.432 4.552 4.120 0.000 0.000 0.266 13 V C 0.879 177.014 176.094 0.069 0.000 1.048 13 V CA 0.287 62.618 62.300 0.052 0.000 0.842 13 V CB 0.073 31.916 31.823 0.033 0.000 1.064 13 V HN 1.162 nan 8.190 nan 0.000 0.472 14 G N 5.767 114.603 108.800 0.060 0.000 2.574 14 G HA2 -0.363 3.597 3.960 0.000 0.000 0.301 14 G HA3 -0.363 3.597 3.960 0.000 0.000 0.301 14 G C 0.808 175.758 174.900 0.082 0.000 1.166 14 G CA 0.849 45.976 45.100 0.045 0.000 0.971 14 G HN 0.586 nan 8.290 nan 0.000 0.542 15 R N -0.515 120.033 120.500 0.080 0.000 2.334 15 R HA 0.474 4.815 4.340 0.000 0.000 0.216 15 R C 0.315 176.722 176.300 0.178 0.000 0.905 15 R CA 0.332 56.495 56.100 0.106 0.000 1.064 15 R CB 0.518 30.850 30.300 0.054 0.000 1.046 15 R HN 0.294 nan 8.270 nan 0.000 0.508 16 V N 3.826 123.823 119.914 0.137 0.000 2.350 16 V HA 0.288 4.408 4.120 0.000 0.000 0.276 16 V C -2.228 173.815 176.094 -0.085 0.000 1.028 16 V CA -2.083 60.248 62.300 0.052 0.000 0.860 16 V CB 1.469 33.313 31.823 0.035 0.000 0.990 16 V HN 0.036 nan 8.190 nan 0.000 0.453 17 P HA 0.342 nan 4.420 nan 0.000 0.282 17 P C -1.040 175.966 177.300 -0.490 0.000 1.262 17 P CA -0.256 62.358 63.100 -0.810 0.000 0.773 17 P CB 1.187 32.112 31.700 -1.293 0.000 0.879 18 I N 2.993 123.338 120.570 -0.375 0.000 2.362 18 I HA 0.732 4.902 4.170 0.000 0.000 0.289 18 I C 0.948 177.024 176.117 -0.068 0.000 0.994 18 I CA -0.189 61.031 61.300 -0.134 0.000 1.158 18 I CB 0.582 38.549 38.000 -0.055 0.000 1.315 18 I HN 0.661 nan 8.210 nan 0.000 0.451 19 G N 3.536 112.373 108.800 0.061 0.000 2.337 19 G HA2 0.290 4.251 3.960 0.000 0.000 0.298 19 G HA3 0.290 4.251 3.960 0.000 0.000 0.298 19 G C 0.435 175.407 174.900 0.120 0.000 1.335 19 G CA -0.267 44.894 45.100 0.102 0.000 0.875 19 G HN 0.675 nan 8.290 nan 0.000 0.579 20 G N -0.367 108.469 108.800 0.061 0.000 2.501 20 G HA2 0.265 4.225 3.960 0.000 0.000 0.220 20 G HA3 0.265 4.225 3.960 0.000 0.000 0.220 20 G C 1.492 176.361 174.900 -0.052 0.000 1.114 20 G CA 1.982 47.089 45.100 0.011 0.000 0.757 20 G HN 1.710 nan 8.290 nan 0.000 0.559 21 A N -0.572 122.165 122.820 -0.137 0.000 2.308 21 A HA 0.366 4.686 4.320 0.000 0.000 0.217 21 A C 0.577 177.786 177.584 -0.625 0.000 1.216 21 A CA -0.175 51.626 52.037 -0.394 0.000 0.864 21 A CB 0.032 18.727 19.000 -0.508 0.000 0.902 21 A HN 0.408 nan 8.150 nan 0.000 0.499 22 H N -0.951 118.110 119.070 -0.016 0.000 2.894 22 H HA 0.358 4.914 4.556 0.000 0.000 0.368 22 H C -2.817 172.511 175.328 0.000 0.000 1.181 22 H CA -2.213 53.827 56.048 -0.012 0.000 1.146 22 H CB 0.716 30.453 29.762 -0.042 0.000 1.839 22 H HN -0.046 nan 8.280 nan 0.000 0.557 23 P HA 0.035 nan 4.420 nan 0.000 0.265 23 P C 0.234 177.579 177.300 0.076 0.000 1.193 23 P CA 0.140 63.296 63.100 0.094 0.000 0.765 23 P CB 0.432 32.193 31.700 0.102 0.000 0.823 24 I N 1.987 122.586 120.570 0.048 0.000 2.752 24 I HA 0.004 4.174 4.170 0.000 0.000 0.286 24 I C 1.046 177.179 176.117 0.028 0.000 1.180 24 I CA 0.202 61.518 61.300 0.027 0.000 1.404 24 I CB -0.076 37.930 38.000 0.009 0.000 1.389 24 I HN 0.365 nan 8.210 nan 0.000 0.549 25 A N 7.010 129.840 122.820 0.017 0.000 2.322 25 A HA 0.591 4.911 4.320 0.000 0.000 0.269 25 A C -0.216 177.367 177.584 -0.002 0.000 1.094 25 A CA -0.449 51.600 52.037 0.019 0.000 0.807 25 A CB 0.704 19.716 19.000 0.020 0.000 1.047 25 A HN 0.474 nan 8.150 nan 0.000 0.487 26 V N 1.856 121.780 119.914 0.017 0.000 2.472 26 V HA 0.458 4.578 4.120 0.000 0.000 0.290 26 V C 0.173 176.280 176.094 0.021 0.000 1.037 26 V CA -0.333 61.971 62.300 0.007 0.000 0.908 26 V CB 1.157 32.994 31.823 0.024 0.000 0.985 26 V HN 1.028 nan 8.190 nan 0.000 0.454 27 Q N 2.432 122.238 119.800 0.010 0.000 2.399 27 Q HA 0.801 5.141 4.340 0.000 0.000 0.276 27 Q C -0.599 175.435 176.000 0.058 0.000 1.098 27 Q CA -0.339 55.496 55.803 0.052 0.000 0.827 27 Q CB 2.325 31.118 28.738 0.091 0.000 1.386 27 Q HN 0.996 nan 8.270 nan 0.000 0.443 28 S N 1.933 117.675 115.700 0.071 0.000 2.672 28 S HA 0.755 5.225 4.470 0.000 0.000 0.271 28 S C -1.353 173.283 174.600 0.061 0.000 1.171 28 S CA -0.858 57.380 58.200 0.062 0.000 0.817 28 S CB 1.159 64.387 63.200 0.046 0.000 1.150 28 S HN 0.791 nan 8.310 nan 0.000 0.478 29 M N 0.884 120.513 119.600 0.049 0.000 2.593 29 M HA 0.665 5.145 4.480 0.000 0.000 0.290 29 M C -0.181 176.134 176.300 0.026 0.000 1.244 29 M CA -0.606 54.716 55.300 0.036 0.000 0.857 29 M CB 1.677 34.300 32.600 0.038 0.000 1.738 29 M HN 0.859 nan 8.290 nan 0.000 0.461 30 T N -0.409 114.154 114.554 0.014 0.000 2.748 30 T HA 0.225 4.575 4.350 0.000 0.000 0.304 30 T C 0.148 174.856 174.700 0.013 0.000 1.041 30 T CA 0.265 62.371 62.100 0.010 0.000 1.033 30 T CB 0.621 69.489 68.868 -0.001 0.000 0.995 30 T HN 0.927 nan 8.240 nan 0.000 0.536 31 N N -0.949 117.758 118.700 0.012 0.000 2.028 31 N HA 0.049 4.789 4.740 0.000 0.000 0.230 31 N C 0.251 175.767 175.510 0.011 0.000 1.354 31 N CA 0.512 53.571 53.050 0.015 0.000 0.855 31 N CB 0.286 38.782 38.487 0.015 0.000 1.111 31 N HN 0.959 nan 8.380 nan 0.000 0.480 32 T N 0.222 114.781 114.554 0.007 0.000 2.926 32 T HA 0.374 4.724 4.350 0.000 0.000 0.307 32 T C -2.508 172.194 174.700 0.003 0.000 1.059 32 T CA -1.024 61.078 62.100 0.004 0.000 1.122 32 T CB 0.630 69.498 68.868 0.001 0.000 0.972 32 T HN -0.020 nan 8.240 nan 0.000 0.545 33 P HA 0.162 nan 4.420 nan 0.000 0.264 33 P C 1.022 178.318 177.300 -0.007 0.000 1.193 33 P CA -0.210 62.891 63.100 0.002 0.000 0.763 33 P CB 0.297 32.000 31.700 0.004 0.000 0.810 34 T N 3.144 117.689 114.554 -0.015 0.000 2.759 34 T HA -0.215 4.135 4.350 0.000 0.000 0.269 34 T C 1.645 176.331 174.700 -0.025 0.000 1.042 34 T CA 1.613 63.698 62.100 -0.025 0.000 1.140 34 T CB -0.434 68.409 68.868 -0.042 0.000 0.864 34 T HN 0.568 nan 8.240 nan 0.000 0.455 35 R N 1.745 122.232 120.500 -0.021 0.000 2.226 35 R HA -0.095 4.245 4.340 0.000 0.000 0.246 35 R C 0.748 177.037 176.300 -0.018 0.000 1.161 35 R CA 1.509 57.596 56.100 -0.022 0.000 0.997 35 R CB -0.511 29.781 30.300 -0.014 0.000 0.870 35 R HN 0.187 nan 8.270 nan 0.000 0.465 36 D N 1.301 121.694 120.400 -0.013 0.000 2.483 36 D HA 0.069 4.709 4.640 0.000 0.000 0.220 36 D C 1.130 177.422 176.300 -0.012 0.000 1.173 36 D CA -0.277 53.717 54.000 -0.010 0.000 0.964 36 D CB 1.262 42.059 40.800 -0.006 0.000 1.046 36 D HN -0.017 nan 8.370 nan 0.000 0.517 37 V N 3.233 123.137 119.914 -0.016 0.000 2.324 37 V HA -0.264 3.856 4.120 0.000 0.000 0.250 37 V C 2.329 178.417 176.094 -0.011 0.000 1.060 37 V CA 1.612 63.902 62.300 -0.016 0.000 1.042 37 V CB -0.571 31.240 31.823 -0.020 0.000 0.650 37 V HN 0.437 nan 8.190 nan 0.000 0.450 38 E N 0.896 121.091 120.200 -0.009 0.000 2.035 38 E HA -0.248 4.102 4.350 0.000 0.000 0.204 38 E C 2.162 178.760 176.600 -0.004 0.000 1.025 38 E CA 2.118 58.515 56.400 -0.006 0.000 0.835 38 E CB -0.587 29.111 29.700 -0.004 0.000 0.764 38 E HN 0.552 nan 8.360 nan 0.000 0.457 39 A N -0.933 121.885 122.820 -0.004 0.000 2.067 39 A HA -0.052 4.268 4.320 0.000 0.000 0.217 39 A C 2.320 179.902 177.584 -0.002 0.000 1.156 39 A CA 1.667 53.703 52.037 -0.002 0.000 0.683 39 A CB -0.704 18.296 19.000 -0.001 0.000 0.808 39 A HN 0.372 nan 8.150 nan 0.000 0.455 40 T N 0.065 114.616 114.554 -0.005 0.000 2.770 40 T HA -0.139 4.211 4.350 0.000 0.000 0.263 40 T C 2.146 176.843 174.700 -0.005 0.000 1.039 40 T CA 2.660 64.756 62.100 -0.007 0.000 1.142 40 T CB -0.566 68.294 68.868 -0.013 0.000 0.868 40 T HN 0.684 nan 8.240 nan 0.000 0.435 41 T N 0.269 114.819 114.554 -0.006 0.000 2.867 41 T HA 0.140 4.490 4.350 0.000 0.000 0.268 41 T C 2.198 176.898 174.700 0.001 0.000 1.057 41 T CA 1.216 63.314 62.100 -0.004 0.000 1.136 41 T CB -0.776 68.089 68.868 -0.006 0.000 0.874 41 T HN 0.374 nan 8.240 nan 0.000 0.466 42 A N 1.637 124.458 122.820 0.002 0.000 1.865 42 A HA -0.193 4.127 4.320 0.000 0.000 0.217 42 A C 2.456 180.046 177.584 0.009 0.000 1.191 42 A CA 1.976 54.016 52.037 0.005 0.000 0.623 42 A CB -1.115 17.887 19.000 0.003 0.000 0.826 42 A HN 0.604 nan 8.150 nan 0.000 0.444 43 Q N -0.596 119.209 119.800 0.008 0.000 2.170 43 Q HA -0.105 4.235 4.340 0.000 0.000 0.203 43 Q C 1.931 177.941 176.000 0.018 0.000 0.976 43 Q CA 1.616 57.425 55.803 0.011 0.000 0.858 43 Q CB -0.142 28.601 28.738 0.008 0.000 0.907 43 Q HN 0.450 nan 8.270 nan 0.000 0.433 44 V N 1.142 121.065 119.914 0.014 0.000 2.453 44 V HA -0.236 3.884 4.120 0.000 0.000 0.247 44 V C 2.186 178.302 176.094 0.036 0.000 1.048 44 V CA 1.442 63.753 62.300 0.018 0.000 1.049 44 V CB -0.616 31.208 31.823 0.001 0.000 0.672 44 V HN 0.485 nan 8.190 nan 0.000 0.457 45 L N 1.126 122.369 121.223 0.033 0.000 2.083 45 L HA -0.148 4.192 4.340 0.000 0.000 0.209 45 L C 2.270 179.187 176.870 0.078 0.000 1.083 45 L CA 2.349 57.221 54.840 0.055 0.000 0.752 45 L CB -1.465 40.615 42.059 0.035 0.000 0.899 45 L HN 0.580 nan 8.230 nan 0.000 0.433 46 E N 0.177 120.405 120.200 0.046 0.000 2.230 46 E HA -0.088 4.263 4.350 0.000 0.000 0.192 46 E C 2.129 178.747 176.600 0.030 0.000 0.987 46 E CA 0.713 57.131 56.400 0.029 0.000 0.841 46 E CB -0.620 29.088 29.700 0.012 0.000 0.783 46 E HN 0.571 nan 8.360 nan 0.000 0.481 47 L N 0.734 121.985 121.223 0.047 0.000 2.083 47 L HA -0.161 4.179 4.340 0.000 0.000 0.209 47 L C 2.720 179.636 176.870 0.076 0.000 1.083 47 L CA 1.469 56.337 54.840 0.047 0.000 0.752 47 L CB -0.480 41.607 42.059 0.048 0.000 0.899 47 L HN 0.262 nan 8.230 nan 0.000 0.433 48 H N 0.261 119.327 119.070 -0.007 0.000 2.293 48 H HA -0.185 4.371 4.556 0.000 0.000 0.300 48 H C 2.411 177.728 175.328 -0.018 0.000 1.082 48 H CA 1.899 57.943 56.048 -0.008 0.000 1.308 48 H CB 0.033 29.793 29.762 -0.003 0.000 1.375 48 H HN 0.024 nan 8.280 nan 0.000 0.495 49 R N -0.203 120.255 120.500 -0.070 0.000 2.127 49 R HA -0.113 4.227 4.340 0.000 0.000 0.238 49 R C 2.340 178.558 176.300 -0.138 0.000 1.134 49 R CA 1.163 57.177 56.100 -0.144 0.000 0.975 49 R CB -0.365 29.899 30.300 -0.060 0.000 0.865 49 R HN 0.432 nan 8.270 nan 0.000 0.447 50 A N -1.043 121.727 122.820 -0.084 0.000 1.933 50 A HA 0.019 4.339 4.320 0.000 0.000 0.218 50 A C 1.666 179.180 177.584 -0.115 0.000 1.175 50 A CA 1.720 53.706 52.037 -0.085 0.000 0.628 50 A CB -0.227 18.748 19.000 -0.042 0.000 0.814 50 A HN 0.577 nan 8.150 nan 0.000 0.444 51 G N -2.499 106.238 108.800 -0.104 0.000 3.272 51 G HA2 -0.009 3.952 3.960 0.000 0.000 0.219 51 G HA3 -0.009 3.952 3.960 0.000 0.000 0.219 51 G C 0.308 175.194 174.900 -0.023 0.000 0.952 51 G CA 0.386 45.426 45.100 -0.100 0.000 0.833 51 G HN 0.642 nan 8.290 nan 0.000 0.608 52 S N 1.421 117.132 115.700 0.018 0.000 2.516 52 S HA 0.345 4.815 4.470 0.000 0.000 0.282 52 S C 1.553 176.243 174.600 0.149 0.000 1.286 52 S CA 0.624 58.866 58.200 0.071 0.000 1.066 52 S CB 0.591 63.836 63.200 0.075 0.000 0.884 52 S HN 0.455 nan 8.310 nan 0.000 0.491 53 E N 4.563 124.837 120.200 0.124 0.000 2.447 53 E HA 0.179 4.529 4.350 0.000 0.000 0.195 53 E C 0.071 176.732 176.600 0.102 0.000 1.028 53 E CA 0.406 56.899 56.400 0.155 0.000 0.876 53 E CB 0.212 29.979 29.700 0.111 0.000 0.885 53 E HN 0.575 nan 8.360 nan 0.000 0.500 54 I N 0.523 121.141 120.570 0.080 0.000 2.894 54 I HA 0.346 4.516 4.170 0.000 0.000 0.302 54 I C -1.145 175.007 176.117 0.058 0.000 1.188 54 I CA -1.388 59.946 61.300 0.058 0.000 1.014 54 I CB 2.847 40.884 38.000 0.063 0.000 1.242 54 I HN -0.274 nan 8.210 nan 0.000 0.430 55 V N 3.766 123.706 119.914 0.043 0.000 2.668 55 V HA 0.471 4.591 4.120 0.000 0.000 0.304 55 V C -0.452 175.657 176.094 0.025 0.000 1.071 55 V CA -0.613 61.709 62.300 0.036 0.000 0.894 55 V CB 2.146 33.984 31.823 0.024 0.000 1.008 55 V HN 0.662 nan 8.190 nan 0.000 0.425 56 R N 3.288 123.805 120.500 0.027 0.000 2.598 56 R HA 0.901 5.241 4.340 0.000 0.000 0.279 56 R C -1.654 174.635 176.300 -0.019 0.000 0.984 56 R CA -0.640 55.463 56.100 0.005 0.000 0.999 56 R CB 1.628 31.940 30.300 0.021 0.000 1.114 56 R HN 0.636 nan 8.270 nan 0.000 0.493 57 L N -0.330 120.856 121.223 -0.062 0.000 2.455 57 L HA 0.459 4.799 4.340 0.000 0.000 0.264 57 L C -0.356 176.428 176.870 -0.143 0.000 0.968 57 L CA -0.963 53.832 54.840 -0.075 0.000 0.827 57 L CB 1.623 43.643 42.059 -0.065 0.000 1.317 57 L HN 0.453 nan 8.230 nan 0.000 0.407 58 T N 0.889 115.378 114.554 -0.108 0.000 2.919 58 T HA 0.593 4.943 4.350 0.000 0.000 0.302 58 T C -0.022 174.573 174.700 -0.174 0.000 1.031 58 T CA -0.421 61.589 62.100 -0.149 0.000 1.127 58 T CB 1.262 70.115 68.868 -0.025 0.000 0.952 58 T HN 0.450 nan 8.240 nan 0.000 0.540 59 V N 3.550 123.302 119.914 -0.271 0.000 2.419 59 V HA 0.342 4.462 4.120 0.000 0.000 0.287 59 V C 0.059 176.151 176.094 -0.003 0.000 1.017 59 V CA -0.713 61.481 62.300 -0.177 0.000 0.844 59 V CB 0.958 32.572 31.823 -0.349 0.000 1.011 59 V HN 0.892 nan 8.190 nan 0.000 0.429 60 N N 1.794 120.525 118.700 0.052 0.000 2.994 60 N HA 0.146 4.886 4.740 0.000 0.000 0.216 60 N C -0.001 175.570 175.510 0.102 0.000 1.166 60 N CA -0.240 52.876 53.050 0.110 0.000 1.155 60 N CB 0.257 38.819 38.487 0.124 0.000 1.489 60 N HN 0.801 nan 8.380 nan 0.000 0.556 61 D N 1.208 121.653 120.400 0.075 0.000 2.371 61 D HA -0.005 4.635 4.640 0.000 0.000 0.242 61 D C 0.409 176.748 176.300 0.065 0.000 1.218 61 D CA 0.069 54.109 54.000 0.066 0.000 0.945 61 D CB 0.575 41.405 40.800 0.050 0.000 1.137 61 D HN 0.222 nan 8.370 nan 0.000 0.464 62 E N -0.588 119.661 120.200 0.081 0.000 2.130 62 E HA -0.273 4.077 4.350 0.000 0.000 0.196 62 E C 1.576 178.173 176.600 -0.005 0.000 0.998 62 E CA 1.543 58.008 56.400 0.107 0.000 0.806 62 E CB -0.016 29.791 29.700 0.179 0.000 0.738 62 E HN 0.607 nan 8.360 nan 0.000 0.459 63 E N 0.356 120.558 120.200 0.003 0.000 2.171 63 E HA -0.231 4.119 4.350 0.000 0.000 0.197 63 E C 1.750 178.321 176.600 -0.048 0.000 0.997 63 E CA 1.282 57.667 56.400 -0.025 0.000 0.810 63 E CB -0.130 29.568 29.700 -0.004 0.000 0.738 63 E HN 0.306 nan 8.360 nan 0.000 0.467 64 A N 0.432 123.234 122.820 -0.030 0.000 1.933 64 A HA -0.037 4.283 4.320 0.000 0.000 0.218 64 A C 2.373 179.908 177.584 -0.080 0.000 1.175 64 A CA 1.830 53.844 52.037 -0.039 0.000 0.628 64 A CB -0.852 18.141 19.000 -0.012 0.000 0.814 64 A HN 0.397 nan 8.150 nan 0.000 0.444 65 A N -0.271 122.472 122.820 -0.127 0.000 1.841 65 A HA -0.103 4.217 4.320 0.000 0.000 0.214 65 A C 2.106 179.485 177.584 -0.342 0.000 1.195 65 A CA 1.609 53.507 52.037 -0.233 0.000 0.611 65 A CB -0.487 18.303 19.000 -0.349 0.000 0.835 65 A HN 0.428 nan 8.150 nan 0.000 0.443 66 K N -0.307 119.821 120.400 -0.455 0.000 2.160 66 K HA -0.178 4.143 4.320 0.000 0.000 0.206 66 K C 2.212 178.711 176.600 -0.169 0.000 1.047 66 K CA 1.171 57.255 56.287 -0.337 0.000 0.930 66 K CB -0.337 32.016 32.500 -0.246 0.000 0.720 66 K HN 0.472 nan 8.250 nan 0.000 0.450 67 A N 0.969 123.710 122.820 -0.131 0.000 1.933 67 A HA -0.120 4.200 4.320 0.000 0.000 0.218 67 A C 2.336 179.883 177.584 -0.063 0.000 1.175 67 A CA 1.337 53.328 52.037 -0.078 0.000 0.628 67 A CB -0.575 18.389 19.000 -0.061 0.000 0.814 67 A HN 0.065 nan 8.150 nan 0.000 0.444 68 V N 1.317 121.189 119.914 -0.070 0.000 2.220 68 V HA -0.225 3.895 4.120 0.000 0.000 0.250 68 V C 0.078 176.156 176.094 -0.026 0.000 1.056 68 V CA 2.695 64.970 62.300 -0.042 0.000 1.016 68 V CB -1.753 30.054 31.823 -0.027 0.000 0.639 68 V HN 0.488 nan 8.190 nan 0.000 0.446 69 P HA -0.178 nan 4.420 nan 0.000 0.220 69 P C 1.498 178.792 177.300 -0.011 0.000 1.148 69 P CA 1.858 64.953 63.100 -0.008 0.000 0.803 69 P CB 0.167 31.864 31.700 -0.005 0.000 0.782 70 E N 0.842 121.030 120.200 -0.020 0.000 2.028 70 E HA -0.148 4.202 4.350 0.000 0.000 0.191 70 E C 2.144 178.735 176.600 -0.015 0.000 0.988 70 E CA 1.011 57.401 56.400 -0.017 0.000 0.799 70 E CB -1.227 28.459 29.700 -0.022 0.000 0.755 70 E HN 0.103 nan 8.360 nan 0.000 0.447 71 I N 0.843 121.402 120.570 -0.019 0.000 2.113 71 I HA -0.392 3.778 4.170 0.000 0.000 0.242 71 I C 2.615 178.723 176.117 -0.014 0.000 1.057 71 I CA 2.100 63.390 61.300 -0.017 0.000 1.314 71 I CB -0.452 37.536 38.000 -0.020 0.000 1.022 71 I HN 0.181 nan 8.210 nan 0.000 0.408 72 K N 0.697 121.090 120.400 -0.012 0.000 2.147 72 K HA -0.184 4.136 4.320 0.000 0.000 0.205 72 K C 2.349 178.943 176.600 -0.009 0.000 1.049 72 K CA 1.167 57.447 56.287 -0.010 0.000 0.936 72 K CB -0.091 32.408 32.500 -0.002 0.000 0.722 72 K HN 0.049 nan 8.250 nan 0.000 0.446 73 R N 1.007 121.502 120.500 -0.007 0.000 2.189 73 R HA -0.073 4.267 4.340 0.000 0.000 0.223 73 R C 1.832 178.128 176.300 -0.007 0.000 1.092 73 R CA 1.457 57.554 56.100 -0.005 0.000 0.989 73 R CB 0.040 30.337 30.300 -0.004 0.000 0.876 73 R HN 0.466 nan 8.270 nan 0.000 0.457 74 R N -1.287 119.208 120.500 -0.008 0.000 2.225 74 R HA 0.145 4.485 4.340 0.000 0.000 0.194 74 R C 2.316 178.611 176.300 -0.009 0.000 0.957 74 R CA 0.003 56.099 56.100 -0.007 0.000 1.042 74 R CB -0.503 29.793 30.300 -0.007 0.000 1.004 74 R HN 0.060 nan 8.270 nan 0.000 0.509 75 L N 1.943 123.158 121.223 -0.014 0.000 2.083 75 L HA -0.153 4.187 4.340 0.000 0.000 0.209 75 L C 2.541 179.399 176.870 -0.020 0.000 1.083 75 L CA 1.086 55.914 54.840 -0.021 0.000 0.752 75 L CB -0.688 41.351 42.059 -0.035 0.000 0.899 75 L HN 0.216 nan 8.230 nan 0.000 0.433 76 L N -0.692 120.522 121.223 -0.016 0.000 2.043 76 L HA -0.143 4.197 4.340 0.000 0.000 0.212 76 L C 2.528 179.394 176.870 -0.007 0.000 1.075 76 L CA 2.225 57.058 54.840 -0.012 0.000 0.752 76 L CB -1.300 40.754 42.059 -0.009 0.000 0.891 76 L HN 0.042 nan 8.230 nan 0.000 0.432 77 A N -0.866 121.951 122.820 -0.005 0.000 1.930 77 A HA -0.023 4.297 4.320 0.000 0.000 0.215 77 A C 2.020 179.603 177.584 -0.000 0.000 1.176 77 A CA 0.920 52.955 52.037 -0.002 0.000 0.632 77 A CB -0.574 18.424 19.000 -0.002 0.000 0.819 77 A HN 0.559 nan 8.150 nan 0.000 0.445 78 E N -0.378 119.821 120.200 -0.001 0.000 2.461 78 E HA 0.109 4.459 4.350 0.000 0.000 0.196 78 E C 1.402 178.008 176.600 0.010 0.000 1.129 78 E CA 0.509 56.911 56.400 0.004 0.000 0.902 78 E CB -0.484 29.218 29.700 0.004 0.000 0.963 78 E HN 0.720 nan 8.360 nan 0.000 0.503 79 G N 0.747 109.551 108.800 0.007 0.000 2.480 79 G HA2 -0.357 3.603 3.960 0.000 0.000 0.246 79 G HA3 -0.357 3.603 3.960 0.000 0.000 0.246 79 G C 0.699 175.607 174.900 0.013 0.000 1.073 79 G CA 0.496 45.604 45.100 0.013 0.000 0.643 79 G HN 0.275 nan 8.290 nan 0.000 0.525 80 V N 1.720 121.638 119.914 0.006 0.000 2.390 80 V HA 0.367 4.487 4.120 0.000 0.000 0.260 80 V C 1.131 177.165 176.094 -0.100 0.000 1.043 80 V CA 1.089 63.373 62.300 -0.026 0.000 1.047 80 V CB 1.159 32.979 31.823 -0.006 0.000 1.066 80 V HN 0.487 nan 8.190 nan 0.000 0.481 81 E N 4.173 124.302 120.200 -0.119 0.000 2.320 81 E HA 0.124 4.474 4.350 0.000 0.000 0.189 81 E C 0.219 176.730 176.600 -0.149 0.000 1.100 81 E CA -0.115 56.226 56.400 -0.097 0.000 1.009 81 E CB 0.248 29.925 29.700 -0.040 0.000 1.145 81 E HN 0.571 nan 8.360 nan 0.000 0.454 82 V N 2.770 122.528 119.914 -0.261 0.000 2.788 82 V HA 0.063 4.183 4.120 0.000 0.000 0.307 82 V C -1.976 174.055 176.094 -0.106 0.000 1.069 82 V CA -0.976 61.170 62.300 -0.258 0.000 1.173 82 V CB 0.567 32.198 31.823 -0.320 0.000 0.925 82 V HN 0.332 nan 8.190 nan 0.000 0.492 83 P HA 0.418 nan 4.420 nan 0.000 0.286 83 P C -1.016 176.281 177.300 -0.006 0.000 1.269 83 P CA -0.423 62.667 63.100 -0.016 0.000 0.787 83 P CB 0.674 32.379 31.700 0.009 0.000 0.920 84 L N 3.493 124.718 121.223 0.004 0.000 2.325 84 L HA 0.470 4.810 4.340 0.000 0.000 0.279 84 L C 0.016 176.906 176.870 0.034 0.000 1.054 84 L CA -0.531 54.316 54.840 0.012 0.000 0.804 84 L CB 1.556 43.620 42.059 0.008 0.000 1.200 84 L HN 0.111 nan 8.230 nan 0.000 0.436 85 V N 1.327 121.258 119.914 0.029 0.000 2.495 85 V HA 0.653 4.773 4.120 0.000 0.000 0.298 85 V C 0.402 176.490 176.094 -0.010 0.000 1.031 85 V CA -0.726 61.601 62.300 0.045 0.000 0.871 85 V CB 1.703 33.555 31.823 0.048 0.000 0.988 85 V HN 0.830 nan 8.190 nan 0.000 0.432 86 G N 1.940 110.735 108.800 -0.009 0.000 2.329 86 G HA2 0.370 4.330 3.960 0.000 0.000 0.309 86 G HA3 0.370 4.330 3.960 0.000 0.000 0.309 86 G C -0.619 173.954 174.900 -0.545 0.000 1.110 86 G CA -0.222 44.683 45.100 -0.324 0.000 0.923 86 G HN 0.615 nan 8.290 nan 0.000 0.430 87 D N 1.742 121.824 120.400 -0.530 0.000 2.317 87 D HA 0.380 5.020 4.640 0.000 0.000 0.252 87 D C -0.720 175.187 176.300 -0.656 0.000 1.174 87 D CA 0.217 53.981 54.000 -0.392 0.000 0.866 87 D CB 0.816 41.499 40.800 -0.195 0.000 1.127 87 D HN 0.018 nan 8.370 nan 0.000 0.467 88 F N 1.646 121.464 119.950 -0.220 0.000 2.563 88 F HA 0.396 4.924 4.527 0.000 0.000 0.316 88 F C 0.305 175.935 175.800 -0.283 0.000 1.076 88 F CA -0.619 57.218 58.000 -0.272 0.000 0.921 88 F CB 1.627 40.575 39.000 -0.087 0.000 1.209 88 F HN 0.317 nan 8.300 nan 0.000 0.462 89 H N 0.429 119.731 119.070 0.387 0.000 2.894 89 H HA 0.472 5.028 4.556 0.000 0.000 0.368 89 H C -1.070 174.500 175.328 0.404 0.000 1.181 89 H CA -1.327 54.933 56.048 0.354 0.000 1.146 89 H CB 1.122 31.014 29.762 0.217 0.000 1.839 89 H HN 0.236 nan 8.280 nan 0.000 0.557 90 F N 2.166 122.245 119.950 0.215 0.000 2.568 90 F HA -0.183 4.345 4.527 0.000 0.000 0.394 90 F C 1.516 177.383 175.800 0.112 0.000 1.032 90 F CA 1.858 59.947 58.000 0.148 0.000 1.242 90 F CB -0.565 38.448 39.000 0.022 0.000 0.966 90 F HN 0.979 nan 8.300 nan 0.000 0.560 91 N N -1.038 117.764 118.700 0.170 0.000 2.974 91 N HA -0.153 4.587 4.740 0.000 0.000 0.191 91 N C 1.190 176.508 175.510 -0.319 0.000 0.960 91 N CA 0.597 53.525 53.050 -0.205 0.000 1.054 91 N CB -1.634 36.842 38.487 -0.019 0.000 1.002 91 N HN 0.723 nan 8.380 nan 0.000 0.549 92 G N 0.687 109.377 108.800 -0.183 0.000 2.432 92 G HA2 -0.287 3.673 3.960 0.000 0.000 0.219 92 G HA3 -0.287 3.673 3.960 0.000 0.000 0.219 92 G C 1.266 175.844 174.900 -0.538 0.000 1.135 92 G CA 1.576 46.401 45.100 -0.459 0.000 0.767 92 G HN 0.803 nan 8.290 nan 0.000 0.550 93 H N 0.815 119.669 119.070 -0.360 0.000 2.256 93 H HA 0.002 4.559 4.556 0.000 0.000 0.299 93 H C 2.557 177.758 175.328 -0.211 0.000 1.071 93 H CA 1.113 56.984 56.048 -0.295 0.000 1.280 93 H CB -1.220 28.417 29.762 -0.208 0.000 1.370 93 H HN 0.280 nan 8.280 nan 0.000 0.490 94 L N 0.329 121.268 121.223 -0.473 0.000 2.081 94 L HA -0.180 4.160 4.340 0.000 0.000 0.212 94 L C 3.115 179.858 176.870 -0.212 0.000 1.080 94 L CA 0.709 55.380 54.840 -0.281 0.000 0.754 94 L CB -0.508 41.375 42.059 -0.293 0.000 0.893 94 L HN 0.203 nan 8.230 nan 0.000 0.433 95 L N -0.681 120.417 121.223 -0.209 0.000 1.989 95 L HA -0.268 4.072 4.340 0.000 0.000 0.211 95 L C 2.633 179.494 176.870 -0.014 0.000 1.071 95 L CA 1.750 56.557 54.840 -0.054 0.000 0.749 95 L CB -0.564 41.473 42.059 -0.037 0.000 0.890 95 L HN 0.295 nan 8.230 nan 0.000 0.431 96 L N -0.380 120.742 121.223 -0.169 0.000 2.005 96 L HA -0.148 4.192 4.340 0.000 0.000 0.207 96 L C 2.810 179.625 176.870 -0.091 0.000 1.072 96 L CA 1.546 56.293 54.840 -0.155 0.000 0.744 96 L CB -0.963 40.884 42.059 -0.353 0.000 0.895 96 L HN 0.177 nan 8.230 nan 0.000 0.433 97 R N -0.071 120.357 120.500 -0.119 0.000 2.133 97 R HA -0.210 4.130 4.340 0.000 0.000 0.247 97 R C 2.203 178.423 176.300 -0.134 0.000 1.151 97 R CA 1.413 57.453 56.100 -0.099 0.000 0.971 97 R CB -0.474 29.774 30.300 -0.087 0.000 0.866 97 R HN 0.445 nan 8.270 nan 0.000 0.447 98 K N -0.649 119.620 120.400 -0.219 0.000 2.057 98 K HA -0.103 4.217 4.320 0.000 0.000 0.206 98 K C 0.073 176.370 176.600 -0.506 0.000 1.050 98 K CA 1.050 57.083 56.287 -0.425 0.000 0.935 98 K CB 0.076 32.180 32.500 -0.660 0.000 0.715 98 K HN 0.142 nan 8.250 nan 0.000 0.439 99 Y N 0.640 120.919 120.300 -0.034 0.000 2.712 99 Y HA 0.199 4.749 4.550 0.000 0.000 0.328 99 Y C -1.891 174.001 175.900 -0.012 0.000 0.995 99 Y CA -2.592 55.498 58.100 -0.017 0.000 1.283 99 Y CB 1.005 39.460 38.460 -0.008 0.000 1.092 99 Y HN 0.040 nan 8.280 nan 0.000 0.519 100 P HA -0.120 nan 4.420 nan 0.000 0.230 100 P C 1.061 178.416 177.300 0.092 0.000 1.158 100 P CA 1.053 64.196 63.100 0.072 0.000 0.769 100 P CB 0.581 32.304 31.700 0.038 0.000 0.807 101 K N 0.027 120.494 120.400 0.113 0.000 2.097 101 K HA -0.080 4.240 4.320 0.000 0.000 0.205 101 K C 2.074 178.724 176.600 0.083 0.000 1.050 101 K CA 1.750 58.090 56.287 0.089 0.000 0.938 101 K CB -0.308 32.245 32.500 0.087 0.000 0.718 101 K HN 0.196 nan 8.250 nan 0.000 0.442 102 M N -1.497 118.163 119.600 0.100 0.000 2.476 102 M HA 0.199 4.679 4.480 0.000 0.000 0.262 102 M C 1.828 178.207 176.300 0.133 0.000 1.111 102 M CA 1.277 56.628 55.300 0.085 0.000 1.127 102 M CB -0.113 32.515 32.600 0.047 0.000 1.376 102 M HN -0.088 nan 8.290 nan 0.000 0.465 103 A N 0.512 123.419 122.820 0.144 0.000 1.933 103 A HA -0.144 4.177 4.320 0.000 0.000 0.218 103 A C 2.084 179.813 177.584 0.241 0.000 1.175 103 A CA 2.065 54.235 52.037 0.221 0.000 0.628 103 A CB -0.784 18.322 19.000 0.178 0.000 0.814 103 A HN 0.645 nan 8.150 nan 0.000 0.444 104 E N -0.612 119.674 120.200 0.145 0.000 2.158 104 E HA 0.105 4.455 4.350 0.000 0.000 0.191 104 E C 2.207 178.859 176.600 0.087 0.000 0.982 104 E CA 0.826 57.287 56.400 0.102 0.000 0.823 104 E CB -0.209 29.531 29.700 0.067 0.000 0.766 104 E HN 0.586 nan 8.360 nan 0.000 0.468 105 A N 0.694 123.567 122.820 0.088 0.000 1.930 105 A HA -0.048 4.272 4.320 0.000 0.000 0.217 105 A C 1.013 178.648 177.584 0.084 0.000 1.175 105 A CA 0.533 52.609 52.037 0.066 0.000 0.627 105 A CB -0.441 18.588 19.000 0.047 0.000 0.815 105 A HN 0.127 nan 8.150 nan 0.000 0.443 106 L N 0.561 121.872 121.223 0.148 0.000 2.461 106 L HA 0.068 4.408 4.340 0.000 0.000 0.272 106 L C 0.301 177.253 176.870 0.136 0.000 1.197 106 L CA -0.152 54.804 54.840 0.193 0.000 0.836 106 L CB 0.412 42.715 42.059 0.406 0.000 1.105 106 L HN 0.328 nan 8.230 nan 0.000 0.477 107 D N 1.683 122.129 120.400 0.077 0.000 2.398 107 D HA 0.138 4.778 4.640 0.000 0.000 0.210 107 D C 0.163 176.425 176.300 -0.062 0.000 1.094 107 D CA 0.510 54.513 54.000 0.005 0.000 0.839 107 D CB 1.024 41.833 40.800 0.014 0.000 0.963 107 D HN 0.396 nan 8.370 nan 0.000 0.506 108 K N 0.245 120.606 120.400 -0.065 0.000 2.653 108 K HA 0.200 4.520 4.320 0.000 0.000 0.274 108 K C -1.946 174.709 176.600 0.091 0.000 0.974 108 K CA -0.529 55.674 56.287 -0.139 0.000 0.868 108 K CB 1.098 33.585 32.500 -0.022 0.000 1.408 108 K HN -0.340 nan 8.250 nan 0.000 0.397 109 F N 1.946 121.964 119.950 0.115 0.000 2.480 109 F HA 0.562 5.090 4.527 0.000 0.000 0.329 109 F C 0.384 176.273 175.800 0.149 0.000 1.091 109 F CA -0.945 57.169 58.000 0.191 0.000 0.972 109 F CB 1.419 40.550 39.000 0.219 0.000 1.150 109 F HN 0.273 nan 8.300 nan 0.000 0.467 110 R N 4.799 125.510 120.500 0.352 0.000 2.343 110 R HA 0.701 5.041 4.340 0.000 0.000 0.320 110 R C -1.267 175.196 176.300 0.271 0.000 0.956 110 R CA -0.374 55.857 56.100 0.218 0.000 0.836 110 R CB 0.976 31.336 30.300 0.100 0.000 1.151 110 R HN 0.906 nan 8.270 nan 0.000 0.450 111 I N 0.895 121.618 120.570 0.255 0.000 2.828 111 I HA 0.469 4.639 4.170 0.000 0.000 0.302 111 I C -0.858 175.431 176.117 0.287 0.000 1.101 111 I CA -1.366 60.105 61.300 0.284 0.000 1.031 111 I CB 2.178 40.335 38.000 0.262 0.000 1.231 111 I HN 0.317 nan 8.210 nan 0.000 0.427 112 N N 4.474 123.374 118.700 0.334 0.000 2.513 112 N HA 0.319 5.059 4.740 0.000 0.000 0.268 112 N C -2.380 173.308 175.510 0.297 0.000 1.180 112 N CA -1.201 52.040 53.050 0.319 0.000 0.948 112 N CB 0.001 38.742 38.487 0.424 0.000 1.083 112 N HN 0.458 nan 8.380 nan 0.000 0.455 113 P HA 0.054 nan 4.420 nan 0.000 0.269 113 P C -0.146 177.047 177.300 -0.178 0.000 1.200 113 P CA 0.373 63.408 63.100 -0.109 0.000 0.779 113 P CB 0.467 32.123 31.700 -0.074 0.000 0.841 114 G N -0.774 107.682 108.800 -0.575 0.000 2.761 114 G HA2 0.557 4.517 3.960 0.000 0.000 0.296 114 G HA3 0.557 4.517 3.960 0.000 0.000 0.296 114 G C -1.593 173.048 174.900 -0.431 0.000 1.416 114 G CA -0.277 44.612 45.100 -0.351 0.000 1.105 114 G HN 0.641 nan 8.290 nan 0.000 0.565 115 T N 1.086 115.529 114.554 -0.186 0.000 3.087 115 T HA 0.519 4.870 4.350 0.000 0.000 0.351 115 T C -0.745 173.921 174.700 -0.056 0.000 1.520 115 T CA -0.482 61.543 62.100 -0.125 0.000 1.111 115 T CB 1.493 70.282 68.868 -0.132 0.000 1.353 115 T HN 0.934 nan 8.240 nan 0.000 0.481 126 F N 3.233 123.016 119.950 -0.280 0.000 2.128 126 F HA 0.175 4.702 4.527 0.000 0.000 0.295 126 F C 2.447 178.157 175.800 -0.151 0.000 1.100 126 F CA 1.690 59.583 58.000 -0.179 0.000 1.260 126 F CB -0.569 38.384 39.000 -0.079 0.000 1.009 126 F HN 0.182 nan 8.300 nan 0.000 0.476 127 A N 0.675 123.363 122.820 -0.220 0.000 1.884 127 A HA -0.267 4.053 4.320 0.000 0.000 0.219 127 A C 2.158 179.565 177.584 -0.295 0.000 1.197 127 A CA 2.197 54.078 52.037 -0.260 0.000 0.637 127 A CB -1.011 17.905 19.000 -0.140 0.000 0.827 127 A HN 0.508 nan 8.150 nan 0.000 0.450 128 E N -0.781 119.236 120.200 -0.306 0.000 2.077 128 E HA -0.170 4.180 4.350 0.000 0.000 0.193 128 E C 2.132 178.604 176.600 -0.213 0.000 0.989 128 E CA 1.193 57.441 56.400 -0.254 0.000 0.800 128 E CB -0.465 29.052 29.700 -0.305 0.000 0.746 128 E HN 0.551 nan 8.360 nan 0.000 0.452 129 M N 0.219 119.664 119.600 -0.259 0.000 2.117 129 M HA -0.126 4.354 4.480 0.000 0.000 0.262 129 M C 2.244 178.473 176.300 -0.119 0.000 1.065 129 M CA 0.990 56.180 55.300 -0.183 0.000 1.114 129 M CB -0.753 31.740 32.600 -0.177 0.000 1.361 129 M HN 0.071 nan 8.290 nan 0.000 0.408 130 I N -0.707 119.695 120.570 -0.280 0.000 2.252 130 I HA -0.240 3.930 4.170 0.000 0.000 0.245 130 I C 2.530 178.568 176.117 -0.131 0.000 1.102 130 I CA 1.211 62.364 61.300 -0.245 0.000 1.385 130 I CB -1.158 36.579 38.000 -0.439 0.000 1.064 130 I HN 0.368 nan 8.210 nan 0.000 0.414 131 R N 0.941 121.356 120.500 -0.142 0.000 2.073 131 R HA -0.148 4.192 4.340 0.000 0.000 0.234 131 R C 2.400 178.678 176.300 -0.036 0.000 1.134 131 R CA 1.475 57.522 56.100 -0.088 0.000 0.952 131 R CB -0.186 30.055 30.300 -0.097 0.000 0.850 131 R HN 0.267 nan 8.270 nan 0.000 0.433 132 I N 0.468 121.027 120.570 -0.018 0.000 2.208 132 I HA -0.279 3.891 4.170 0.000 0.000 0.245 132 I C 2.556 178.760 176.117 0.145 0.000 1.097 132 I CA 1.400 62.729 61.300 0.049 0.000 1.363 132 I CB -0.452 37.560 38.000 0.020 0.000 1.051 132 I HN 0.278 nan 8.210 nan 0.000 0.413 133 A N 0.555 123.487 122.820 0.187 0.000 1.933 133 A HA -0.183 4.137 4.320 0.000 0.000 0.218 133 A C 2.319 179.903 177.584 -0.000 0.000 1.175 133 A CA 1.509 53.611 52.037 0.109 0.000 0.628 133 A CB -0.565 18.447 19.000 0.020 0.000 0.814 133 A HN 0.363 nan 8.150 nan 0.000 0.444 134 M N -0.628 118.965 119.600 -0.010 0.000 2.374 134 M HA -0.118 4.362 4.480 0.000 0.000 0.264 134 M C 1.129 177.421 176.300 -0.013 0.000 1.067 134 M CA 1.269 56.554 55.300 -0.025 0.000 1.103 134 M CB -0.292 32.287 32.600 -0.036 0.000 1.402 134 M HN 0.308 nan 8.290 nan 0.000 0.444 135 D N 0.054 120.456 120.400 0.003 0.000 2.149 135 D HA -0.047 4.593 4.640 0.000 0.000 0.206 135 D C 1.788 178.096 176.300 0.013 0.000 0.967 135 D CA 0.965 54.968 54.000 0.006 0.000 0.848 135 D CB 0.002 40.808 40.800 0.010 0.000 0.998 135 D HN 0.121 nan 8.370 nan 0.000 0.474 136 L N -0.286 120.957 121.223 0.034 0.000 2.291 136 L HA 0.174 4.514 4.340 0.000 0.000 0.214 136 L C 1.623 178.490 176.870 -0.006 0.000 1.120 136 L CA 1.353 56.213 54.840 0.034 0.000 0.799 136 L CB -1.279 40.835 42.059 0.092 0.000 0.925 136 L HN 0.293 nan 8.230 nan 0.000 0.446 137 G N -0.505 108.279 108.800 -0.027 0.000 2.132 137 G HA2 -0.228 3.732 3.960 0.000 0.000 0.228 137 G HA3 -0.228 3.732 3.960 0.000 0.000 0.228 137 G C 0.363 175.215 174.900 -0.080 0.000 1.000 137 G CA -0.126 44.949 45.100 -0.042 0.000 0.693 137 G HN 0.203 nan 8.290 nan 0.000 0.515 138 K N 0.771 121.084 120.400 -0.144 0.000 2.172 138 K HA 0.505 4.825 4.320 0.000 0.000 0.276 138 K C -2.256 174.179 176.600 -0.275 0.000 1.013 138 K CA -1.958 54.158 56.287 -0.285 0.000 0.913 138 K CB 1.682 33.810 32.500 -0.621 0.000 1.055 138 K HN 0.129 nan 8.250 nan 0.000 0.461 139 P HA 0.234 nan 4.420 nan 0.000 0.274 139 P C -0.741 176.461 177.300 -0.164 0.000 1.246 139 P CA -0.557 62.465 63.100 -0.129 0.000 0.795 139 P CB 0.685 32.350 31.700 -0.060 0.000 1.006 140 V N 0.911 120.795 119.914 -0.051 0.000 2.760 140 V HA 0.452 4.573 4.120 0.000 0.000 0.309 140 V C -0.003 176.134 176.094 0.071 0.000 1.077 140 V CA -0.779 61.530 62.300 0.015 0.000 0.910 140 V CB 2.058 33.907 31.823 0.043 0.000 1.008 140 V HN 0.442 nan 8.190 nan 0.000 0.424 141 R N 3.421 123.979 120.500 0.098 0.000 2.229 141 R HA 0.638 4.978 4.340 0.000 0.000 0.328 141 R C -1.146 175.232 176.300 0.130 0.000 1.009 141 R CA -0.570 55.588 56.100 0.097 0.000 0.864 141 R CB 0.948 31.275 30.300 0.046 0.000 1.085 141 R HN 0.732 nan 8.270 nan 0.000 0.453 142 I N 3.580 124.237 120.570 0.145 0.000 2.291 142 I HA 0.226 4.397 4.170 0.000 0.000 0.290 142 I C 0.720 176.909 176.117 0.119 0.000 1.050 142 I CA -0.218 61.187 61.300 0.175 0.000 1.245 142 I CB 1.766 39.902 38.000 0.227 0.000 1.405 142 I HN 0.673 nan 8.210 nan 0.000 0.478 143 G N 5.688 114.556 108.800 0.114 0.000 2.800 143 G HA2 0.592 4.553 3.960 0.000 0.000 0.340 143 G HA3 0.592 4.553 3.960 0.000 0.000 0.340 143 G C 0.254 175.211 174.900 0.094 0.000 1.089 143 G CA -0.412 44.738 45.100 0.084 0.000 1.144 143 G HN 0.756 nan 8.290 nan 0.000 0.461 144 A N 2.997 125.858 122.820 0.068 0.000 2.555 144 A HA 0.497 4.817 4.320 0.000 0.000 0.233 144 A C 0.541 178.175 177.584 0.084 0.000 1.060 144 A CA 0.246 52.317 52.037 0.058 0.000 0.759 144 A CB 0.151 19.167 19.000 0.027 0.000 0.995 144 A HN 1.162 nan 8.150 nan 0.000 0.506 145 N N -0.585 118.163 118.700 0.079 0.000 2.961 145 N HA 0.070 4.810 4.740 0.000 0.000 0.245 145 N C 0.433 176.010 175.510 0.112 0.000 1.404 145 N CA -0.448 52.675 53.050 0.121 0.000 0.880 145 N CB 0.137 38.701 38.487 0.127 0.000 1.461 145 N HN 0.710 nan 8.380 nan 0.000 0.510 146 W N 1.297 122.614 121.300 0.028 0.000 2.301 146 W HA -0.196 4.464 4.660 0.000 0.000 0.325 146 W C 1.418 177.935 176.519 -0.004 0.000 1.250 146 W CA 2.691 60.045 57.345 0.015 0.000 1.261 146 W CB -0.909 28.562 29.460 0.019 0.000 1.157 146 W HN 0.757 nan 8.180 nan 0.000 0.473 147 G N 0.124 108.809 108.800 -0.191 0.000 2.517 147 G HA2 -0.233 3.727 3.960 0.000 0.000 0.222 147 G HA3 -0.233 3.727 3.960 0.000 0.000 0.222 147 G C 0.604 175.315 174.900 -0.315 0.000 1.109 147 G CA 1.099 46.022 45.100 -0.296 0.000 0.746 147 G HN 0.230 nan 8.290 nan 0.000 0.576 148 S N -0.096 115.480 115.700 -0.206 0.000 2.457 148 S HA 0.596 5.066 4.470 0.000 0.000 0.216 148 S C -1.064 173.439 174.600 -0.162 0.000 1.392 148 S CA -0.463 57.649 58.200 -0.146 0.000 1.102 148 S CB 1.155 64.347 63.200 -0.013 0.000 1.114 148 S HN 0.184 nan 8.310 nan 0.000 0.484 149 L N 2.336 123.408 121.223 -0.253 0.000 2.493 149 L HA 0.489 4.829 4.340 0.000 0.000 0.265 149 L C -1.271 175.466 176.870 -0.221 0.000 0.954 149 L CA -0.410 54.283 54.840 -0.246 0.000 0.844 149 L CB 2.105 43.925 42.059 -0.399 0.000 1.302 149 L HN 0.270 nan 8.230 nan 0.000 0.405 150 D N 6.102 126.418 120.400 -0.140 0.000 2.339 150 D HA 0.284 4.924 4.640 0.000 0.000 0.256 150 D C -1.584 174.654 176.300 -0.105 0.000 1.214 150 D CA -1.310 52.626 54.000 -0.107 0.000 0.877 150 D CB 1.451 42.210 40.800 -0.068 0.000 1.111 150 D HN 0.323 nan 8.370 nan 0.000 0.478 151 P HA -0.152 nan 4.420 nan 0.000 0.218 151 P C 0.704 177.979 177.300 -0.042 0.000 1.148 151 P CA 0.866 63.916 63.100 -0.083 0.000 0.822 151 P CB 0.219 31.876 31.700 -0.072 0.000 0.784 152 A N -0.554 122.245 122.820 -0.035 0.000 1.935 152 A HA -0.072 4.248 4.320 0.000 0.000 0.214 152 A C 2.135 179.710 177.584 -0.015 0.000 1.178 152 A CA 0.729 52.755 52.037 -0.018 0.000 0.640 152 A CB -1.502 17.490 19.000 -0.015 0.000 0.825 152 A HN 0.094 nan 8.150 nan 0.000 0.447 153 L N -0.359 120.851 121.223 -0.022 0.000 1.991 153 L HA -0.229 4.111 4.340 0.000 0.000 0.221 153 L C 2.269 179.135 176.870 -0.007 0.000 1.079 153 L CA 2.311 57.141 54.840 -0.016 0.000 0.778 153 L CB -0.740 41.303 42.059 -0.027 0.000 0.893 153 L HN 0.356 nan 8.230 nan 0.000 0.437 154 L N -0.817 120.398 121.223 -0.013 0.000 1.990 154 L HA -0.257 4.083 4.340 0.000 0.000 0.213 154 L C 2.459 179.341 176.870 0.019 0.000 1.072 154 L CA 2.683 57.530 54.840 0.011 0.000 0.755 154 L CB -1.298 40.771 42.059 0.016 0.000 0.889 154 L HN 0.445 nan 8.230 nan 0.000 0.432 155 T N -1.023 113.539 114.554 0.013 0.000 2.759 155 T HA -0.219 4.131 4.350 0.000 0.000 0.269 155 T C 1.764 176.472 174.700 0.012 0.000 1.042 155 T CA 1.700 63.809 62.100 0.015 0.000 1.140 155 T CB -0.217 68.657 68.868 0.010 0.000 0.864 155 T HN 0.440 nan 8.240 nan 0.000 0.455 156 E N 0.104 120.309 120.200 0.009 0.000 2.028 156 E HA -0.046 4.304 4.350 0.000 0.000 0.190 156 E C 2.083 178.690 176.600 0.012 0.000 0.984 156 E CA 0.534 56.940 56.400 0.009 0.000 0.800 156 E CB -0.097 29.607 29.700 0.006 0.000 0.758 156 E HN 0.145 nan 8.360 nan 0.000 0.448 157 L N 0.690 121.922 121.223 0.014 0.000 2.012 157 L HA -0.228 4.112 4.340 0.000 0.000 0.210 157 L C 2.270 179.149 176.870 0.016 0.000 1.073 157 L CA 1.646 56.497 54.840 0.018 0.000 0.748 157 L CB -0.843 41.230 42.059 0.022 0.000 0.891 157 L HN 0.315 nan 8.230 nan 0.000 0.431 158 M N -0.845 118.766 119.600 0.017 0.000 2.073 158 M HA -0.241 4.240 4.480 0.000 0.000 0.258 158 M C 1.980 178.287 176.300 0.012 0.000 1.070 158 M CA 1.667 56.976 55.300 0.016 0.000 1.103 158 M CB -1.214 31.399 32.600 0.022 0.000 1.321 158 M HN 0.262 nan 8.290 nan 0.000 0.405 159 D N -0.491 119.916 120.400 0.012 0.000 2.092 159 D HA -0.180 4.460 4.640 0.000 0.000 0.193 159 D C 2.078 178.384 176.300 0.010 0.000 0.994 159 D CA 0.993 54.999 54.000 0.010 0.000 0.828 159 D CB -0.427 40.379 40.800 0.009 0.000 0.963 159 D HN 0.238 nan 8.370 nan 0.000 0.450 160 R N 1.142 121.649 120.500 0.011 0.000 2.096 160 R HA -0.191 4.150 4.340 0.000 0.000 0.240 160 R C 1.818 178.125 176.300 0.011 0.000 1.139 160 R CA 1.573 57.681 56.100 0.012 0.000 0.952 160 R CB -0.785 29.524 30.300 0.016 0.000 0.854 160 R HN 0.127 nan 8.270 nan 0.000 0.436 161 N N 0.202 118.907 118.700 0.009 0.000 2.205 161 N HA -0.138 4.603 4.740 0.000 0.000 0.186 161 N C 1.252 176.764 175.510 0.003 0.000 1.015 161 N CA 1.823 54.875 53.050 0.004 0.000 0.862 161 N CB -0.194 38.291 38.487 -0.002 0.000 0.986 161 N HN 0.328 nan 8.380 nan 0.000 0.429 162 A N -1.561 121.261 122.820 0.005 0.000 2.251 162 A HA 0.220 4.540 4.320 0.000 0.000 0.209 162 A C 1.951 179.538 177.584 0.005 0.000 1.187 162 A CA 0.456 52.496 52.037 0.004 0.000 0.823 162 A CB -0.084 18.919 19.000 0.004 0.000 0.846 162 A HN 0.290 nan 8.150 nan 0.000 0.486 163 S N -0.497 115.206 115.700 0.006 0.000 2.483 163 S HA 0.123 4.593 4.470 0.000 0.000 0.221 163 S C 0.939 175.544 174.600 0.007 0.000 1.030 163 S CA -0.388 57.817 58.200 0.007 0.000 0.925 163 S CB 0.002 63.207 63.200 0.008 0.000 0.795 163 S HN 0.607 nan 8.310 nan 0.000 0.511 164 R N 1.901 122.406 120.500 0.008 0.000 2.644 164 R HA -0.043 4.297 4.340 0.000 0.000 0.265 164 R C -1.792 174.512 176.300 0.007 0.000 0.985 164 R CA -0.442 55.663 56.100 0.009 0.000 1.097 164 R CB -0.240 30.065 30.300 0.009 0.000 0.931 164 R HN 0.135 nan 8.270 nan 0.000 0.419 165 P HA -0.175 nan 4.420 nan 0.000 0.215 165 P C -0.156 177.147 177.300 0.005 0.000 1.153 165 P CA 1.326 64.430 63.100 0.007 0.000 0.853 165 P CB 0.222 31.927 31.700 0.008 0.000 0.788 166 E N -0.172 120.031 120.200 0.005 0.000 2.546 166 E HA 0.257 4.607 4.350 0.000 0.000 0.227 166 E C -2.386 174.213 176.600 -0.002 0.000 1.009 166 E CA -2.614 53.787 56.400 0.002 0.000 0.813 166 E CB 0.301 30.003 29.700 0.003 0.000 1.269 166 E HN 0.031 nan 8.360 nan 0.000 0.432 167 P HA -0.035 nan 4.420 nan 0.000 0.265 167 P C -0.609 176.682 177.300 -0.016 0.000 1.187 167 P CA 0.170 63.266 63.100 -0.007 0.000 0.766 167 P CB 0.658 32.355 31.700 -0.005 0.000 0.820 168 K N 0.809 121.193 120.400 -0.027 0.000 2.155 168 K HA 0.356 4.676 4.320 0.000 0.000 0.237 168 K C 0.691 177.267 176.600 -0.041 0.000 1.040 168 K CA -0.526 55.733 56.287 -0.047 0.000 0.912 168 K CB 0.253 32.705 32.500 -0.080 0.000 1.137 168 K HN 0.533 nan 8.250 nan 0.000 0.498 169 S N 0.011 115.682 115.700 -0.048 0.000 2.603 169 S HA 0.217 4.687 4.470 0.000 0.000 0.268 169 S C 1.228 175.815 174.600 -0.022 0.000 1.317 169 S CA -0.162 58.023 58.200 -0.026 0.000 1.012 169 S CB 1.376 64.569 63.200 -0.012 0.000 0.926 169 S HN 0.647 nan 8.310 nan 0.000 0.539 170 A N 1.583 124.403 122.820 0.000 0.000 1.882 170 A HA -0.290 4.030 4.320 0.000 0.000 0.220 170 A C 2.104 179.699 177.584 0.019 0.000 1.253 170 A CA 2.727 54.772 52.037 0.013 0.000 0.664 170 A CB -2.196 16.816 19.000 0.021 0.000 0.838 170 A HN 1.187 nan 8.150 nan 0.000 0.460 171 H N -0.048 118.985 119.070 -0.062 0.000 2.390 171 H HA -0.119 4.437 4.556 0.000 0.000 0.298 171 H C 1.905 177.176 175.328 -0.095 0.000 1.106 171 H CA 2.144 58.149 56.048 -0.072 0.000 1.297 171 H CB -0.135 29.578 29.762 -0.082 0.000 1.375 171 H HN 0.708 nan 8.280 nan 0.000 0.509 172 E N -0.802 119.277 120.200 -0.201 0.000 2.216 172 E HA -0.070 4.280 4.350 0.000 0.000 0.192 172 E C 2.328 178.755 176.600 -0.288 0.000 0.988 172 E CA 0.850 57.041 56.400 -0.348 0.000 0.834 172 E CB 0.272 29.783 29.700 -0.314 0.000 0.772 172 E HN 0.299 nan 8.360 nan 0.000 0.479 173 V N 0.987 120.810 119.914 -0.152 0.000 2.270 173 V HA -0.249 3.872 4.120 0.000 0.000 0.245 173 V C 2.378 178.440 176.094 -0.053 0.000 1.043 173 V CA 1.324 63.577 62.300 -0.079 0.000 1.014 173 V CB -0.541 31.265 31.823 -0.027 0.000 0.645 173 V HN 0.124 nan 8.190 nan 0.000 0.447 174 V N 0.094 119.980 119.914 -0.046 0.000 2.277 174 V HA -0.361 3.759 4.120 0.000 0.000 0.253 174 V C 2.347 178.433 176.094 -0.013 0.000 1.067 174 V CA 2.465 64.775 62.300 0.018 0.000 1.047 174 V CB -0.713 31.122 31.823 0.020 0.000 0.649 174 V HN 0.464 nan 8.190 nan 0.000 0.447 175 L N -0.692 120.441 121.223 -0.150 0.000 2.093 175 L HA -0.176 4.164 4.340 0.000 0.000 0.208 175 L C 2.585 179.537 176.870 0.136 0.000 1.085 175 L CA 1.579 56.391 54.840 -0.048 0.000 0.755 175 L CB -0.637 41.296 42.059 -0.210 0.000 0.904 175 L HN 0.402 nan 8.230 nan 0.000 0.435 176 E N 0.265 120.509 120.200 0.073 0.000 2.085 176 E HA -0.246 4.105 4.350 0.000 0.000 0.194 176 E C 2.276 178.951 176.600 0.125 0.000 0.994 176 E CA 1.306 57.821 56.400 0.191 0.000 0.801 176 E CB -0.187 29.580 29.700 0.113 0.000 0.743 176 E HN 0.513 nan 8.360 nan 0.000 0.453 177 A N 0.703 123.568 122.820 0.076 0.000 1.969 177 A HA -0.120 4.200 4.320 0.000 0.000 0.218 177 A C 2.111 179.726 177.584 0.052 0.000 1.169 177 A CA 0.778 52.847 52.037 0.053 0.000 0.635 177 A CB -0.376 18.650 19.000 0.044 0.000 0.810 177 A HN 0.149 nan 8.150 nan 0.000 0.445 178 L N -0.507 120.764 121.223 0.080 0.000 2.056 178 L HA -0.107 4.233 4.340 0.000 0.000 0.207 178 L C 2.496 179.392 176.870 0.043 0.000 1.078 178 L CA 1.393 56.276 54.840 0.072 0.000 0.749 178 L CB -0.248 41.876 42.059 0.109 0.000 0.901 178 L HN 0.193 nan 8.230 nan 0.000 0.433 179 V N -0.906 119.048 119.914 0.067 0.000 2.358 179 V HA -0.249 3.871 4.120 0.000 0.000 0.246 179 V C 2.543 178.631 176.094 -0.010 0.000 1.047 179 V CA 1.690 63.994 62.300 0.006 0.000 1.035 179 V CB -0.426 31.412 31.823 0.025 0.000 0.658 179 V HN 0.426 nan 8.190 nan 0.000 0.452 180 E N 0.257 120.469 120.200 0.020 0.000 2.110 180 E HA -0.189 4.162 4.350 0.000 0.000 0.193 180 E C 2.474 179.070 176.600 -0.007 0.000 0.988 180 E CA 1.619 58.024 56.400 0.009 0.000 0.804 180 E CB -0.502 29.210 29.700 0.020 0.000 0.745 180 E HN 0.514 nan 8.360 nan 0.000 0.458 181 S N -0.706 114.988 115.700 -0.011 0.000 2.368 181 S HA -0.110 4.360 4.470 0.000 0.000 0.225 181 S C 2.037 176.619 174.600 -0.030 0.000 1.030 181 S CA 1.448 59.630 58.200 -0.030 0.000 0.999 181 S CB -0.369 62.812 63.200 -0.031 0.000 0.844 181 S HN 0.362 nan 8.310 nan 0.000 0.459 182 A N 0.746 123.553 122.820 -0.023 0.000 1.898 182 A HA 0.073 4.393 4.320 0.000 0.000 0.216 182 A C 2.339 179.928 177.584 0.009 0.000 1.181 182 A CA 1.602 53.627 52.037 -0.020 0.000 0.620 182 A CB -0.934 18.025 19.000 -0.069 0.000 0.819 182 A HN 0.470 nan 8.150 nan 0.000 0.442 183 V N -0.031 119.877 119.914 -0.009 0.000 2.427 183 V HA -0.223 3.897 4.120 0.000 0.000 0.248 183 V C 2.594 178.761 176.094 0.122 0.000 1.051 183 V CA 2.089 64.413 62.300 0.040 0.000 1.048 183 V CB -0.814 31.006 31.823 -0.006 0.000 0.666 183 V HN 0.496 nan 8.190 nan 0.000 0.456 184 R N 0.065 120.594 120.500 0.048 0.000 2.090 184 R HA -0.029 4.311 4.340 0.000 0.000 0.228 184 R C 2.417 178.725 176.300 0.013 0.000 1.110 184 R CA 1.328 57.444 56.100 0.025 0.000 0.973 184 R CB -0.473 29.815 30.300 -0.020 0.000 0.869 184 R HN 0.526 nan 8.270 nan 0.000 0.440 185 A N 0.327 123.138 122.820 -0.014 0.000 1.930 185 A HA -0.197 4.123 4.320 0.000 0.000 0.217 185 A C 1.925 179.613 177.584 0.173 0.000 1.175 185 A CA 0.971 52.969 52.037 -0.065 0.000 0.627 185 A CB -0.592 18.328 19.000 -0.132 0.000 0.815 185 A HN 0.461 nan 8.150 nan 0.000 0.443 186 Y N 0.879 121.210 120.300 0.051 0.000 2.114 186 Y HA -0.193 4.357 4.550 0.000 0.000 0.284 186 Y C 2.228 178.171 175.900 0.071 0.000 1.143 186 Y CA 2.194 60.336 58.100 0.070 0.000 1.135 186 Y CB -0.144 38.333 38.460 0.028 0.000 0.980 186 Y HN 0.291 nan 8.280 nan 0.000 0.499 187 E N 0.525 120.734 120.200 0.015 0.000 2.153 187 E HA -0.175 4.175 4.350 0.000 0.000 0.194 187 E C 2.361 178.935 176.600 -0.043 0.000 0.988 187 E CA 1.103 57.447 56.400 -0.093 0.000 0.811 187 E CB -0.632 29.078 29.700 0.016 0.000 0.746 187 E HN 0.619 nan 8.360 nan 0.000 0.466 188 A N 1.396 124.247 122.820 0.050 0.000 1.872 188 A HA -0.004 4.316 4.320 0.000 0.000 0.214 188 A C 2.441 180.133 177.584 0.181 0.000 1.187 188 A CA 1.795 53.911 52.037 0.132 0.000 0.614 188 A CB -0.583 18.521 19.000 0.173 0.000 0.826 188 A HN 0.257 nan 8.150 nan 0.000 0.442 189 A N -0.081 122.878 122.820 0.233 0.000 1.917 189 A HA -0.118 4.202 4.320 0.000 0.000 0.219 189 A C 2.155 179.716 177.584 -0.039 0.000 1.182 189 A CA 1.657 53.739 52.037 0.074 0.000 0.633 189 A CB -0.652 18.405 19.000 0.094 0.000 0.819 189 A HN 0.484 nan 8.150 nan 0.000 0.448 190 L N -0.963 120.194 121.223 -0.109 0.000 2.156 190 L HA -0.153 4.188 4.340 0.000 0.000 0.208 190 L C 2.618 179.439 176.870 -0.083 0.000 1.095 190 L CA 1.510 56.266 54.840 -0.141 0.000 0.770 190 L CB -0.444 41.461 42.059 -0.258 0.000 0.914 190 L HN 0.533 nan 8.230 nan 0.000 0.439 191 E N 1.039 121.207 120.200 -0.053 0.000 2.077 191 E HA -0.221 4.129 4.350 0.000 0.000 0.193 191 E C 2.184 178.770 176.600 -0.024 0.000 0.989 191 E CA 1.513 57.895 56.400 -0.029 0.000 0.800 191 E CB -0.197 29.498 29.700 -0.008 0.000 0.746 191 E HN 0.347 nan 8.360 nan 0.000 0.452 192 M N -1.126 118.461 119.600 -0.022 0.000 2.358 192 M HA 0.038 4.519 4.480 0.000 0.000 0.264 192 M C 1.323 177.596 176.300 -0.046 0.000 1.064 192 M CA 1.509 56.786 55.300 -0.038 0.000 1.093 192 M CB -0.074 32.488 32.600 -0.063 0.000 1.401 192 M HN 0.409 nan 8.290 nan 0.000 0.440 193 G N 0.211 108.982 108.800 -0.048 0.000 2.175 193 G HA2 -0.201 3.759 3.960 0.000 0.000 0.182 193 G HA3 -0.201 3.759 3.960 0.000 0.000 0.182 193 G C 0.488 175.359 174.900 -0.047 0.000 1.003 193 G CA 0.124 45.197 45.100 -0.044 0.000 0.666 193 G HN 0.370 nan 8.290 nan 0.000 0.506 194 L N 1.039 122.228 121.223 -0.056 0.000 2.013 194 L HA 0.396 4.737 4.340 0.000 0.000 0.212 194 L C 1.481 178.328 176.870 -0.039 0.000 1.073 194 L CA 3.358 58.166 54.840 -0.053 0.000 0.753 194 L CB -0.248 41.776 42.059 -0.058 0.000 0.890 194 L HN 2.075 nan 8.230 nan 0.000 0.432 195 G N -0.896 107.881 108.800 -0.039 0.000 3.233 195 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 195 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 195 G C 0.121 175.017 174.900 -0.006 0.000 1.153 195 G CA -0.060 45.028 45.100 -0.020 0.000 0.853 195 G HN 0.317 nan 8.290 nan 0.000 0.582 196 E N 0.388 120.592 120.200 0.006 0.000 2.418 196 E HA -0.091 4.259 4.350 0.000 0.000 0.197 196 E C 1.587 178.220 176.600 0.055 0.000 1.026 196 E CA 1.051 57.473 56.400 0.037 0.000 0.862 196 E CB 0.170 29.898 29.700 0.047 0.000 0.799 196 E HN 0.677 nan 8.360 nan 0.000 0.518 197 D N -0.152 120.274 120.400 0.043 0.000 2.342 197 D HA -0.022 4.618 4.640 0.000 0.000 0.221 197 D C 0.868 177.194 176.300 0.043 0.000 1.101 197 D CA 0.117 54.148 54.000 0.051 0.000 0.837 197 D CB 0.332 41.170 40.800 0.064 0.000 0.938 197 D HN -0.114 nan 8.370 nan 0.000 0.508 198 K N 0.184 120.603 120.400 0.031 0.000 2.536 198 K HA 0.232 4.552 4.320 0.000 0.000 0.203 198 K C -0.587 176.025 176.600 0.021 0.000 1.063 198 K CA -0.474 55.820 56.287 0.012 0.000 1.063 198 K CB 1.329 33.822 32.500 -0.011 0.000 0.843 198 K HN 0.120 nan 8.250 nan 0.000 0.521 199 L N 0.702 121.960 121.223 0.057 0.000 2.491 199 L HA 0.419 4.759 4.340 0.000 0.000 0.267 199 L C -1.501 175.448 176.870 0.131 0.000 0.971 199 L CA -0.783 54.117 54.840 0.100 0.000 0.857 199 L CB 1.862 43.993 42.059 0.120 0.000 1.226 199 L HN -0.217 nan 8.230 nan 0.000 0.408 200 V N 5.683 125.669 119.914 0.121 0.000 2.628 200 V HA 0.582 4.702 4.120 0.000 0.000 0.306 200 V C -0.015 176.152 176.094 0.122 0.000 1.045 200 V CA -0.612 61.760 62.300 0.120 0.000 0.905 200 V CB 1.955 33.847 31.823 0.114 0.000 0.997 200 V HN 0.632 nan 8.190 nan 0.000 0.436 201 L N 3.516 124.798 121.223 0.097 0.000 2.322 201 L HA 0.911 5.251 4.340 0.000 0.000 0.269 201 L C 0.089 177.007 176.870 0.081 0.000 1.012 201 L CA -0.214 54.661 54.840 0.058 0.000 0.815 201 L CB 2.184 44.215 42.059 -0.046 0.000 1.295 201 L HN 0.881 nan 8.230 nan 0.000 0.438 202 S N 0.359 116.084 115.700 0.041 0.000 2.615 202 S HA 0.904 5.374 4.470 0.000 0.000 0.269 202 S C -1.378 173.230 174.600 0.013 0.000 1.161 202 S CA -0.604 57.649 58.200 0.089 0.000 0.817 202 S CB 2.030 65.345 63.200 0.191 0.000 1.131 202 S HN 0.881 nan 8.310 nan 0.000 0.467 203 A N 0.810 123.675 122.820 0.075 0.000 2.427 203 A HA 0.743 5.064 4.320 0.000 0.000 0.298 203 A C -1.021 176.695 177.584 0.220 0.000 1.036 203 A CA -0.815 51.274 52.037 0.087 0.000 0.701 203 A CB 1.258 20.247 19.000 -0.017 0.000 1.250 203 A HN 0.723 nan 8.150 nan 0.000 0.412 204 K N 1.567 122.076 120.400 0.182 0.000 2.349 204 K HA 0.492 4.812 4.320 0.000 0.000 0.289 204 K C -0.604 176.111 176.600 0.192 0.000 1.064 204 K CA 0.093 56.493 56.287 0.188 0.000 0.947 204 K CB 0.884 33.480 32.500 0.160 0.000 1.007 204 K HN 0.455 nan 8.250 nan 0.000 0.478 205 V N 1.505 121.538 119.914 0.199 0.000 3.158 205 V HA 0.201 4.321 4.120 0.000 0.000 0.315 205 V C 0.354 176.531 176.094 0.138 0.000 1.148 205 V CA -0.531 61.878 62.300 0.181 0.000 1.042 205 V CB 2.234 34.186 31.823 0.215 0.000 1.101 205 V HN 0.770 nan 8.190 nan 0.000 0.448 206 S N 0.073 115.847 115.700 0.123 0.000 2.526 206 S HA 0.333 4.804 4.470 0.000 0.000 0.220 206 S C 0.114 174.753 174.600 0.064 0.000 1.017 206 S CA -0.123 58.124 58.200 0.078 0.000 0.930 206 S CB 0.140 63.368 63.200 0.047 0.000 0.856 206 S HN 0.620 nan 8.310 nan 0.000 0.497 207 K N 0.280 120.732 120.400 0.087 0.000 2.422 207 K HA 0.650 4.970 4.320 0.000 0.000 0.251 207 K C 0.723 177.373 176.600 0.083 0.000 0.933 207 K CA -0.311 56.017 56.287 0.068 0.000 0.798 207 K CB 1.696 34.231 32.500 0.059 0.000 1.238 207 K HN 0.001 nan 8.250 nan 0.000 0.428 208 A N 2.373 125.229 122.820 0.060 0.000 1.869 208 A HA -0.254 4.066 4.320 0.000 0.000 0.218 208 A C 2.058 179.695 177.584 0.088 0.000 1.203 208 A CA 1.831 53.904 52.037 0.059 0.000 0.638 208 A CB -0.467 18.556 19.000 0.039 0.000 0.831 208 A HN 0.846 nan 8.150 nan 0.000 0.450 209 R N -0.628 119.926 120.500 0.091 0.000 2.112 209 R HA -0.198 4.142 4.340 0.000 0.000 0.242 209 R C 1.910 178.319 176.300 0.183 0.000 1.137 209 R CA 1.927 58.099 56.100 0.120 0.000 0.944 209 R CB -0.552 29.801 30.300 0.088 0.000 0.857 209 R HN 0.601 nan 8.270 nan 0.000 0.435 210 D N 0.509 121.016 120.400 0.178 0.000 2.092 210 D HA -0.195 4.445 4.640 0.000 0.000 0.193 210 D C 1.835 178.311 176.300 0.294 0.000 0.994 210 D CA 0.931 55.069 54.000 0.231 0.000 0.828 210 D CB -0.479 40.452 40.800 0.220 0.000 0.963 210 D HN 0.057 nan 8.370 nan 0.000 0.450 211 L N 0.737 122.098 121.223 0.230 0.000 1.990 211 L HA -0.210 4.130 4.340 0.000 0.000 0.213 211 L C 2.350 179.375 176.870 0.258 0.000 1.072 211 L CA 1.435 56.417 54.840 0.237 0.000 0.755 211 L CB -0.487 41.625 42.059 0.089 0.000 0.889 211 L HN -0.072 nan 8.230 nan 0.000 0.432 212 V N -1.495 118.527 119.914 0.179 0.000 2.287 212 V HA -0.345 3.776 4.120 0.000 0.000 0.248 212 V C 2.104 178.318 176.094 0.200 0.000 1.053 212 V CA 2.327 64.719 62.300 0.154 0.000 1.027 212 V CB -1.117 30.780 31.823 0.123 0.000 0.646 212 V HN 0.763 nan 8.190 nan 0.000 0.447 213 W N 0.327 121.682 121.300 0.093 0.000 2.378 213 W HA -0.161 4.499 4.660 0.000 0.000 0.313 213 W C 2.413 178.979 176.519 0.078 0.000 1.197 213 W CA 2.037 59.425 57.345 0.071 0.000 1.304 213 W CB -0.414 29.076 29.460 0.050 0.000 1.148 213 W HN -0.016 nan 8.180 nan 0.000 0.494 214 V N 0.323 120.440 119.914 0.338 0.000 2.324 214 V HA -0.367 3.753 4.120 0.000 0.000 0.250 214 V C 1.936 177.957 176.094 -0.122 0.000 1.060 214 V CA 2.190 64.549 62.300 0.098 0.000 1.042 214 V CB -1.118 30.850 31.823 0.241 0.000 0.650 214 V HN 0.245 nan 8.190 nan 0.000 0.450 215 Y N -0.104 120.155 120.300 -0.068 0.000 2.395 215 Y HA 0.000 4.550 4.550 0.000 0.000 0.293 215 Y C 2.551 178.368 175.900 -0.138 0.000 1.123 215 Y CA 0.789 58.840 58.100 -0.082 0.000 1.227 215 Y CB -0.301 38.144 38.460 -0.024 0.000 1.012 215 Y HN 0.127 nan 8.280 nan 0.000 0.552 216 R N -0.041 120.431 120.500 -0.046 0.000 2.115 216 R HA -0.129 4.211 4.340 0.000 0.000 0.230 216 R C 1.837 177.980 176.300 -0.261 0.000 1.111 216 R CA 1.186 57.202 56.100 -0.140 0.000 0.976 216 R CB -0.068 30.141 30.300 -0.151 0.000 0.870 216 R HN 0.295 nan 8.270 nan 0.000 0.445 217 E N 0.839 120.782 120.200 -0.429 0.000 2.072 217 E HA -0.112 4.238 4.350 0.000 0.000 0.190 217 E C 2.133 178.558 176.600 -0.293 0.000 0.982 217 E CA 0.895 57.033 56.400 -0.437 0.000 0.803 217 E CB -0.113 29.195 29.700 -0.654 0.000 0.755 217 E HN 0.326 nan 8.360 nan 0.000 0.453 218 L N 0.624 121.671 121.223 -0.294 0.000 2.083 218 L HA -0.165 4.175 4.340 0.000 0.000 0.209 218 L C 2.550 179.292 176.870 -0.214 0.000 1.083 218 L CA 1.177 55.849 54.840 -0.281 0.000 0.752 218 L CB -0.575 41.255 42.059 -0.381 0.000 0.899 218 L HN 0.054 nan 8.230 nan 0.000 0.433 219 A N 0.021 122.753 122.820 -0.146 0.000 1.902 219 A HA -0.239 4.081 4.320 0.000 0.000 0.217 219 A C 2.468 179.991 177.584 -0.102 0.000 1.181 219 A CA 1.709 53.689 52.037 -0.095 0.000 0.623 219 A CB -0.563 18.405 19.000 -0.053 0.000 0.818 219 A HN 0.331 nan 8.150 nan 0.000 0.443 220 R N -0.654 119.775 120.500 -0.119 0.000 2.115 220 R HA -0.025 4.315 4.340 0.000 0.000 0.230 220 R C 1.807 178.054 176.300 -0.089 0.000 1.111 220 R CA 1.323 57.364 56.100 -0.097 0.000 0.976 220 R CB -0.068 30.166 30.300 -0.109 0.000 0.870 220 R HN 0.503 nan 8.270 nan 0.000 0.445 221 R N -0.638 119.791 120.500 -0.119 0.000 2.365 221 R HA 0.082 4.422 4.340 0.000 0.000 0.223 221 R C 0.199 176.429 176.300 -0.118 0.000 0.899 221 R CA 0.594 56.636 56.100 -0.097 0.000 1.059 221 R CB 1.197 31.436 30.300 -0.101 0.000 1.086 221 R HN 0.192 nan 8.270 nan 0.000 0.522 222 T N -3.001 111.430 114.554 -0.206 0.000 2.865 222 T HA 0.249 4.599 4.350 0.000 0.000 0.294 222 T C 0.146 174.754 174.700 -0.154 0.000 1.119 222 T CA -0.864 61.034 62.100 -0.336 0.000 1.007 222 T CB 2.377 70.691 68.868 -0.923 0.000 1.225 222 T HN -0.261 nan 8.240 nan 0.000 0.515 223 Q N -0.038 119.745 119.800 -0.029 0.000 2.179 223 Q HA 0.432 4.772 4.340 0.000 0.000 0.213 223 Q C 0.620 176.650 176.000 0.049 0.000 0.833 223 Q CA -0.212 55.613 55.803 0.036 0.000 0.990 223 Q CB 0.724 29.518 28.738 0.094 0.000 1.132 223 Q HN 0.893 nan 8.270 nan 0.000 0.493 224 A N 2.567 125.378 122.820 -0.015 0.000 2.425 224 A HA 0.426 4.746 4.320 0.000 0.000 0.249 224 A C -2.177 175.428 177.584 0.035 0.000 1.084 224 A CA -0.936 51.137 52.037 0.060 0.000 0.781 224 A CB -0.155 18.876 19.000 0.052 0.000 1.019 224 A HN -0.040 nan 8.150 nan 0.000 0.490 225 P HA 0.230 nan 4.420 nan 0.000 0.266 225 P C -0.943 176.413 177.300 0.092 0.000 1.193 225 P CA 0.394 63.535 63.100 0.068 0.000 0.770 225 P CB 0.303 32.044 31.700 0.068 0.000 0.836 226 L N 2.483 123.779 121.223 0.121 0.000 2.362 226 L HA 0.405 4.745 4.340 0.000 0.000 0.275 226 L C 0.343 177.364 176.870 0.252 0.000 0.998 226 L CA -0.722 54.244 54.840 0.211 0.000 0.820 226 L CB 1.460 43.683 42.059 0.273 0.000 1.270 226 L HN 0.480 nan 8.230 nan 0.000 0.415 227 H N 4.998 124.190 119.070 0.204 0.000 2.581 227 H HA 0.460 5.016 4.556 0.000 0.000 0.308 227 H C -1.242 174.175 175.328 0.147 0.000 1.040 227 H CA -0.520 55.613 56.048 0.141 0.000 1.231 227 H CB 0.857 30.694 29.762 0.126 0.000 1.396 227 H HN 0.460 nan 8.280 nan 0.000 0.467 228 L N 4.474 125.667 121.223 -0.050 0.000 2.357 228 L HA 0.643 4.983 4.340 0.000 0.000 0.273 228 L C 0.783 177.609 176.870 -0.072 0.000 1.080 228 L CA -0.536 54.183 54.840 -0.202 0.000 0.803 228 L CB 1.733 43.593 42.059 -0.332 0.000 1.174 228 L HN 0.808 nan 8.230 nan 0.000 0.443 229 G N 1.777 110.567 108.800 -0.016 0.000 2.411 229 G HA2 0.482 4.442 3.960 0.000 0.000 0.295 229 G HA3 0.482 4.442 3.960 0.000 0.000 0.295 229 G C -2.267 172.680 174.900 0.078 0.000 1.542 229 G CA -0.586 44.553 45.100 0.066 0.000 0.814 229 G HN 0.229 nan 8.290 nan 0.000 0.557 230 L N 0.547 121.812 121.223 0.070 0.000 2.334 230 L HA 0.632 4.973 4.340 0.000 0.000 0.272 230 L C 2.200 179.124 176.870 0.089 0.000 1.020 230 L CA 0.275 55.161 54.840 0.077 0.000 0.812 230 L CB 1.785 43.874 42.059 0.050 0.000 1.264 230 L HN 0.900 nan 8.230 nan 0.000 0.439 231 T N -1.066 113.543 114.554 0.093 0.000 2.684 231 T HA -0.018 4.332 4.350 0.000 0.000 0.267 231 T C 0.293 175.033 174.700 0.067 0.000 1.036 231 T CA 1.398 63.551 62.100 0.087 0.000 1.148 231 T CB -0.211 68.708 68.868 0.084 0.000 0.863 231 T HN 0.674 nan 8.240 nan 0.000 0.436 232 E N 0.621 120.852 120.200 0.052 0.000 2.377 232 E HA 0.592 4.943 4.350 0.000 0.000 0.277 232 E C -1.710 174.907 176.600 0.028 0.000 1.190 232 E CA -0.652 55.772 56.400 0.040 0.000 0.917 232 E CB 0.785 30.508 29.700 0.037 0.000 1.296 232 E HN 0.890 nan 8.360 nan 0.000 0.417 233 A N -0.048 122.786 122.820 0.023 0.000 2.549 233 A HA 0.732 5.052 4.320 0.000 0.000 0.291 233 A C -0.094 177.498 177.584 0.014 0.000 1.034 233 A CA -0.351 51.695 52.037 0.015 0.000 0.655 233 A CB 0.575 19.583 19.000 0.013 0.000 1.299 233 A HN 1.252 nan 8.150 nan 0.000 0.427 234 G N -0.210 108.596 108.800 0.009 0.000 2.606 234 G HA2 0.467 4.427 3.960 0.000 0.000 0.252 234 G HA3 0.467 4.427 3.960 0.000 0.000 0.252 234 G C 0.742 175.648 174.900 0.009 0.000 1.206 234 G CA -0.505 44.600 45.100 0.009 0.000 0.861 234 G HN 0.633 nan 8.290 nan 0.000 0.561 235 M N 1.084 120.690 119.600 0.009 0.000 2.773 235 M HA -0.030 4.450 4.480 0.000 0.000 0.247 235 M C 1.557 177.862 176.300 0.007 0.000 1.047 235 M CA 0.048 55.354 55.300 0.009 0.000 1.065 235 M CB -1.659 30.946 32.600 0.008 0.000 1.414 235 M HN 0.532 nan 8.290 nan 0.000 0.548 236 G N -0.578 108.226 108.800 0.006 0.000 2.588 236 G HA2 0.307 4.267 3.960 0.000 0.000 0.278 236 G HA3 0.307 4.267 3.960 0.000 0.000 0.278 236 G C 1.103 176.006 174.900 0.005 0.000 1.307 236 G CA -0.683 44.420 45.100 0.005 0.000 1.016 236 G HN 0.101 nan 8.290 nan 0.000 0.503 237 V N 0.348 120.265 119.914 0.004 0.000 2.231 237 V HA -0.239 3.881 4.120 0.000 0.000 0.248 237 V C 2.938 179.034 176.094 0.004 0.000 1.054 237 V CA 2.442 64.744 62.300 0.004 0.000 1.015 237 V CB -0.708 31.117 31.823 0.003 0.000 0.638 237 V HN 0.759 nan 8.190 nan 0.000 0.444 238 K N -0.166 120.235 120.400 0.003 0.000 2.066 238 K HA -0.317 4.004 4.320 0.000 0.000 0.221 238 K C 2.135 178.738 176.600 0.005 0.000 1.056 238 K CA 2.176 58.464 56.287 0.002 0.000 0.950 238 K CB -0.952 31.549 32.500 0.001 0.000 0.726 238 K HN 0.614 nan 8.250 nan 0.000 0.456 239 G N 0.910 109.714 108.800 0.007 0.000 2.418 239 G HA2 -0.215 3.746 3.960 0.000 0.000 0.217 239 G HA3 -0.215 3.746 3.960 0.000 0.000 0.217 239 G C 1.549 176.455 174.900 0.011 0.000 1.158 239 G CA 0.926 46.032 45.100 0.010 0.000 0.771 239 G HN 0.206 nan 8.290 nan 0.000 0.545 240 I N 0.245 120.820 120.570 0.010 0.000 2.142 240 I HA -0.163 4.007 4.170 0.000 0.000 0.240 240 I C 2.799 178.921 176.117 0.008 0.000 1.078 240 I CA 0.561 61.867 61.300 0.010 0.000 1.343 240 I CB -0.441 37.566 38.000 0.010 0.000 1.046 240 I HN 0.020 nan 8.210 nan 0.000 0.405 241 V N 1.099 121.017 119.914 0.007 0.000 2.255 241 V HA -0.349 3.771 4.120 0.000 0.000 0.247 241 V C 2.777 178.874 176.094 0.006 0.000 1.051 241 V CA 2.149 64.452 62.300 0.005 0.000 1.018 241 V CB -1.096 30.730 31.823 0.004 0.000 0.641 241 V HN 0.528 nan 8.190 nan 0.000 0.445 242 A N 0.076 122.900 122.820 0.007 0.000 1.903 242 A HA -0.278 4.042 4.320 0.000 0.000 0.219 242 A C 2.447 180.036 177.584 0.009 0.000 1.191 242 A CA 2.766 54.809 52.037 0.010 0.000 0.638 242 A CB -0.841 18.166 19.000 0.012 0.000 0.823 242 A HN 0.594 nan 8.150 nan 0.000 0.451 243 S N 0.072 115.776 115.700 0.008 0.000 2.368 243 S HA 0.066 4.536 4.470 0.000 0.000 0.224 243 S C 2.270 176.867 174.600 -0.004 0.000 1.029 243 S CA 1.100 59.302 58.200 0.003 0.000 0.988 243 S CB -0.553 62.651 63.200 0.006 0.000 0.838 243 S HN 0.835 nan 8.310 nan 0.000 0.462 244 A N 2.057 124.877 122.820 -0.001 0.000 1.873 244 A HA 0.209 4.530 4.320 0.000 0.000 0.215 244 A C 2.433 180.014 177.584 -0.005 0.000 1.186 244 A CA 1.580 53.615 52.037 -0.005 0.000 0.616 244 A CB -1.305 17.694 19.000 -0.001 0.000 0.823 244 A HN 0.531 nan 8.150 nan 0.000 0.442 245 A N -0.367 122.453 122.820 0.000 0.000 1.986 245 A HA 0.080 4.400 4.320 0.000 0.000 0.220 245 A C 2.382 179.969 177.584 0.004 0.000 1.171 245 A CA 2.390 54.429 52.037 0.004 0.000 0.640 245 A CB -0.753 18.252 19.000 0.008 0.000 0.811 245 A HN 1.059 nan 8.150 nan 0.000 0.451 246 A N -1.685 121.135 122.820 0.000 0.000 1.956 246 A HA 0.330 4.651 4.320 0.000 0.000 0.212 246 A C 1.918 179.485 177.584 -0.029 0.000 1.188 246 A CA 1.065 53.101 52.037 -0.002 0.000 0.675 246 A CB -0.300 18.703 19.000 0.005 0.000 0.845 246 A HN 0.353 nan 8.150 nan 0.000 0.455 247 L N -0.263 120.936 121.223 -0.040 0.000 2.095 247 L HA 0.088 4.429 4.340 0.000 0.000 0.204 247 L C 2.893 179.734 176.870 -0.049 0.000 1.080 247 L CA 1.640 56.441 54.840 -0.065 0.000 0.759 247 L CB -1.011 41.013 42.059 -0.060 0.000 0.914 247 L HN 0.370 nan 8.230 nan 0.000 0.439 248 A N 0.370 123.173 122.820 -0.029 0.000 1.873 248 A HA -0.155 4.165 4.320 0.000 0.000 0.218 248 A C 0.011 177.583 177.584 -0.019 0.000 1.193 248 A CA 2.012 54.036 52.037 -0.023 0.000 0.629 248 A CB -2.018 16.973 19.000 -0.015 0.000 0.826 248 A HN 0.322 nan 8.150 nan 0.000 0.447 249 P HA -0.138 nan 4.420 nan 0.000 0.216 249 P C 1.485 178.779 177.300 -0.010 0.000 1.150 249 P CA 0.931 64.028 63.100 -0.004 0.000 0.837 249 P CB -0.144 31.561 31.700 0.009 0.000 0.786 250 L N -1.656 119.553 121.223 -0.024 0.000 2.027 250 L HA -0.141 4.199 4.340 0.000 0.000 0.206 250 L C 2.480 179.332 176.870 -0.030 0.000 1.074 250 L CA 1.330 56.152 54.840 -0.031 0.000 0.745 250 L CB -0.965 41.051 42.059 -0.072 0.000 0.898 250 L HN -0.077 nan 8.230 nan 0.000 0.433 251 L N -1.082 120.118 121.223 -0.039 0.000 2.141 251 L HA -0.220 4.121 4.340 0.000 0.000 0.209 251 L C 2.468 179.323 176.870 -0.024 0.000 1.094 251 L CA 0.498 55.318 54.840 -0.033 0.000 0.763 251 L CB -0.419 41.619 42.059 -0.036 0.000 0.908 251 L HN 0.216 nan 8.230 nan 0.000 0.437 252 L N 0.028 121.238 121.223 -0.022 0.000 2.083 252 L HA -0.197 4.143 4.340 0.000 0.000 0.209 252 L C 2.333 179.193 176.870 -0.016 0.000 1.083 252 L CA 1.718 56.547 54.840 -0.018 0.000 0.752 252 L CB -0.596 41.454 42.059 -0.015 0.000 0.899 252 L HN 0.263 nan 8.230 nan 0.000 0.433 253 E N -1.147 119.045 120.200 -0.013 0.000 2.478 253 E HA 0.062 4.413 4.350 0.000 0.000 0.198 253 E C 1.322 177.915 176.600 -0.011 0.000 1.046 253 E CA 0.551 56.945 56.400 -0.010 0.000 0.870 253 E CB -0.119 29.577 29.700 -0.006 0.000 0.818 253 E HN 0.571 nan 8.360 nan 0.000 0.527 254 G N 1.297 110.089 108.800 -0.013 0.000 2.141 254 G HA2 -0.264 3.696 3.960 0.000 0.000 0.231 254 G HA3 -0.264 3.696 3.960 0.000 0.000 0.231 254 G C 0.136 175.034 174.900 -0.004 0.000 0.984 254 G CA -0.180 44.913 45.100 -0.011 0.000 0.660 254 G HN 0.198 nan 8.290 nan 0.000 0.525 255 I N 0.941 121.510 120.570 -0.002 0.000 2.354 255 I HA 0.616 4.787 4.170 0.000 0.000 0.292 255 I C 0.739 176.859 176.117 0.005 0.000 0.989 255 I CA 0.078 61.387 61.300 0.014 0.000 1.188 255 I CB 1.597 39.614 38.000 0.029 0.000 1.342 255 I HN 0.832 nan 8.210 nan 0.000 0.457 256 G N 4.694 113.509 108.800 0.026 0.000 3.014 256 G HA2 -0.079 3.881 3.960 0.000 0.000 0.683 256 G HA3 -0.079 3.881 3.960 0.000 0.000 0.683 256 G C -0.693 174.212 174.900 0.008 0.000 1.271 256 G CA -0.713 44.393 45.100 0.010 0.000 0.843 256 G HN 0.681 nan 8.290 nan 0.000 0.612 257 D N -0.189 120.223 120.400 0.020 0.000 2.457 257 D HA 0.145 4.785 4.640 0.000 0.000 0.254 257 D C 0.658 176.958 176.300 -0.001 0.000 1.097 257 D CA 0.845 54.858 54.000 0.023 0.000 0.870 257 D CB 1.237 42.065 40.800 0.047 0.000 1.253 257 D HN 0.405 nan 8.370 nan 0.000 0.500 258 T N 1.133 115.665 114.554 -0.037 0.000 2.900 258 T HA 0.601 4.951 4.350 0.000 0.000 0.295 258 T C -0.677 173.862 174.700 -0.269 0.000 1.044 258 T CA -0.594 61.434 62.100 -0.120 0.000 0.995 258 T CB 2.378 71.190 68.868 -0.094 0.000 1.072 258 T HN 0.031 nan 8.240 nan 0.000 0.473 259 I N -0.150 120.261 120.570 -0.265 0.000 2.647 259 I HA 0.785 4.955 4.170 0.000 0.000 0.295 259 I C -0.739 175.231 176.117 -0.245 0.000 1.078 259 I CA -1.022 60.117 61.300 -0.268 0.000 1.048 259 I CB 2.177 40.099 38.000 -0.131 0.000 1.239 259 I HN 0.358 nan 8.210 nan 0.000 0.421 260 R N 4.551 124.928 120.500 -0.205 0.000 2.561 260 R HA 0.728 5.068 4.340 0.000 0.000 0.297 260 R C -1.727 174.575 176.300 0.003 0.000 0.969 260 R CA -0.677 55.399 56.100 -0.039 0.000 0.879 260 R CB 2.432 32.782 30.300 0.084 0.000 1.178 260 R HN 0.693 nan 8.270 nan 0.000 0.445 261 V N 2.713 122.634 119.914 0.013 0.000 2.439 261 V HA 0.274 4.394 4.120 0.000 0.000 0.282 261 V C 0.098 176.214 176.094 0.037 0.000 1.039 261 V CA -0.371 61.942 62.300 0.022 0.000 0.913 261 V CB 1.559 33.391 31.823 0.016 0.000 0.983 261 V HN 0.785 nan 8.190 nan 0.000 0.460 262 S N 6.908 122.633 115.700 0.042 0.000 2.667 262 S HA 0.687 5.157 4.470 0.000 0.000 0.304 262 S C -1.023 173.598 174.600 0.036 0.000 1.135 262 S CA -0.618 57.610 58.200 0.046 0.000 1.125 262 S CB 0.038 63.275 63.200 0.061 0.000 0.996 262 S HN 0.554 nan 8.310 nan 0.000 0.474 263 L N 3.751 124.992 121.223 0.030 0.000 2.377 263 L HA 0.455 4.796 4.340 0.000 0.000 0.270 263 L C 0.407 177.290 176.870 0.022 0.000 0.991 263 L CA -0.819 54.035 54.840 0.024 0.000 0.851 263 L CB 1.646 43.716 42.059 0.019 0.000 1.218 263 L HN 0.562 nan 8.230 nan 0.000 0.420 264 T N 3.475 118.042 114.554 0.022 0.000 2.817 264 T HA 0.275 4.625 4.350 0.000 0.000 0.295 264 T C -1.921 172.788 174.700 0.015 0.000 0.958 264 T CA -0.741 61.371 62.100 0.020 0.000 1.157 264 T CB 0.459 69.340 68.868 0.021 0.000 0.898 264 T HN 0.281 nan 8.240 nan 0.000 0.536 270 P HA 0.422 nan 4.420 nan 0.000 0.293 270 P C 0.085 177.391 177.300 0.011 0.000 1.298 270 P CA -0.406 62.700 63.100 0.009 0.000 0.757 270 P CB 0.352 32.057 31.700 0.008 0.000 1.262 271 R N -0.759 119.749 120.500 0.014 0.000 2.547 271 R HA 0.061 4.402 4.340 0.000 0.000 0.258 271 R C 1.349 177.658 176.300 0.015 0.000 1.115 271 R CA 0.179 56.290 56.100 0.017 0.000 1.152 271 R CB -0.718 29.596 30.300 0.023 0.000 1.221 271 R HN 0.481 nan 8.270 nan 0.000 0.539 272 T N 0.369 114.929 114.554 0.010 0.000 2.915 272 T HA -0.121 4.229 4.350 0.000 0.000 0.269 272 T C 1.769 176.471 174.700 0.003 0.000 1.071 272 T CA 1.333 63.436 62.100 0.005 0.000 1.132 272 T CB 0.091 68.959 68.868 0.000 0.000 0.878 272 T HN 0.117 nan 8.240 nan 0.000 0.479 273 K N 1.160 121.563 120.400 0.006 0.000 2.217 273 K HA 0.046 4.366 4.320 0.000 0.000 0.202 273 K C 2.061 178.668 176.600 0.011 0.000 1.051 273 K CA 1.344 57.635 56.287 0.007 0.000 0.952 273 K CB -0.207 32.298 32.500 0.008 0.000 0.736 273 K HN 0.456 nan 8.250 nan 0.000 0.453 274 E N -0.242 119.966 120.200 0.015 0.000 2.097 274 E HA -0.199 4.152 4.350 0.000 0.000 0.196 274 E C 1.874 178.484 176.600 0.018 0.000 1.000 274 E CA 1.580 57.992 56.400 0.019 0.000 0.804 274 E CB -0.120 29.594 29.700 0.024 0.000 0.740 274 E HN 0.079 nan 8.360 nan 0.000 0.454 275 V N 1.222 121.144 119.914 0.013 0.000 2.295 275 V HA -0.272 3.848 4.120 0.000 0.000 0.246 275 V C 2.360 178.459 176.094 0.008 0.000 1.049 275 V CA 2.000 64.306 62.300 0.009 0.000 1.024 275 V CB -0.431 31.392 31.823 -0.001 0.000 0.648 275 V HN 0.308 nan 8.190 nan 0.000 0.447 276 E N -0.100 120.101 120.200 0.002 0.000 2.048 276 E HA -0.254 4.096 4.350 0.000 0.000 0.202 276 E C 2.205 178.830 176.600 0.042 0.000 1.021 276 E CA 2.350 58.756 56.400 0.011 0.000 0.825 276 E CB -0.143 29.561 29.700 0.006 0.000 0.756 276 E HN 0.392 nan 8.360 nan 0.000 0.454 277 V N 1.260 121.194 119.914 0.033 0.000 2.233 277 V HA -0.333 3.787 4.120 0.000 0.000 0.247 277 V C 2.502 178.620 176.094 0.041 0.000 1.050 277 V CA 2.056 64.377 62.300 0.035 0.000 1.010 277 V CB -1.053 30.785 31.823 0.024 0.000 0.637 277 V HN 0.509 nan 8.190 nan 0.000 0.444 278 A N -0.968 121.871 122.820 0.033 0.000 1.884 278 A HA -0.398 3.922 4.320 0.000 0.000 0.219 278 A C 2.185 179.805 177.584 0.059 0.000 1.197 278 A CA 2.658 54.712 52.037 0.029 0.000 0.637 278 A CB -0.749 18.261 19.000 0.017 0.000 0.827 278 A HN 0.605 nan 8.150 nan 0.000 0.450 279 Q N -0.947 118.907 119.800 0.091 0.000 2.045 279 Q HA -0.223 4.117 4.340 0.000 0.000 0.206 279 Q C 2.101 178.246 176.000 0.242 0.000 0.991 279 Q CA 2.021 57.939 55.803 0.192 0.000 0.851 279 Q CB -0.133 28.708 28.738 0.172 0.000 0.911 279 Q HN 0.652 nan 8.270 nan 0.000 0.418 280 E N -0.001 120.310 120.200 0.184 0.000 2.118 280 E HA -0.187 4.163 4.350 0.000 0.000 0.195 280 E C 1.984 178.608 176.600 0.040 0.000 0.992 280 E CA 1.019 57.488 56.400 0.115 0.000 0.804 280 E CB -0.167 29.584 29.700 0.086 0.000 0.741 280 E HN 0.511 nan 8.360 nan 0.000 0.458 281 I N 0.350 120.941 120.570 0.035 0.000 2.315 281 I HA -0.243 3.927 4.170 0.000 0.000 0.248 281 I C 2.138 178.252 176.117 -0.005 0.000 1.117 281 I CA 0.426 61.731 61.300 0.007 0.000 1.404 281 I CB -0.114 37.888 38.000 0.002 0.000 1.071 281 I HN 0.085 nan 8.210 nan 0.000 0.419 282 L N 0.337 121.565 121.223 0.008 0.000 2.093 282 L HA -0.204 4.136 4.340 0.000 0.000 0.208 282 L C 2.469 179.310 176.870 -0.048 0.000 1.085 282 L CA 1.747 56.584 54.840 -0.004 0.000 0.755 282 L CB -1.156 40.923 42.059 0.033 0.000 0.904 282 L HN 0.319 nan 8.230 nan 0.000 0.435 283 Q N -0.827 118.920 119.800 -0.089 0.000 2.137 283 Q HA -0.080 4.260 4.340 0.000 0.000 0.198 283 Q C 2.120 178.035 176.000 -0.141 0.000 0.960 283 Q CA 1.310 56.986 55.803 -0.211 0.000 0.847 283 Q CB 0.153 28.625 28.738 -0.443 0.000 0.915 283 Q HN 0.463 nan 8.270 nan 0.000 0.448 284 A N 0.692 123.461 122.820 -0.086 0.000 2.024 284 A HA -0.112 4.208 4.320 0.000 0.000 0.220 284 A C 1.796 179.350 177.584 -0.051 0.000 1.164 284 A CA 1.011 53.013 52.037 -0.059 0.000 0.643 284 A CB -0.335 18.645 19.000 -0.033 0.000 0.806 284 A HN 0.405 nan 8.150 nan 0.000 0.451 285 L N -1.366 119.827 121.223 -0.049 0.000 2.667 285 L HA 0.268 4.608 4.340 0.000 0.000 0.232 285 L C 1.430 178.273 176.870 -0.044 0.000 1.138 285 L CA 0.282 55.098 54.840 -0.040 0.000 0.921 285 L CB -0.102 41.938 42.059 -0.032 0.000 1.180 285 L HN 0.495 nan 8.230 nan 0.000 0.487 286 G N 0.728 109.493 108.800 -0.059 0.000 2.283 286 G HA2 -0.276 3.684 3.960 0.000 0.000 0.280 286 G HA3 -0.276 3.684 3.960 0.000 0.000 0.280 286 G C 0.665 175.539 174.900 -0.042 0.000 1.029 286 G CA 0.151 45.216 45.100 -0.058 0.000 0.840 286 G HN 0.204 nan 8.290 nan 0.000 0.505 287 L N -1.092 120.109 121.223 -0.038 0.000 2.416 287 L HA 0.378 4.718 4.340 0.000 0.000 0.216 287 L C 1.722 178.593 176.870 0.002 0.000 1.098 287 L CA 1.242 56.072 54.840 -0.015 0.000 0.840 287 L CB -0.405 41.648 42.059 -0.011 0.000 0.981 287 L HN 0.420 nan 8.230 nan 0.000 0.462 288 R N -1.284 119.206 120.500 -0.016 0.000 2.707 288 R HA 0.715 5.055 4.340 0.000 0.000 0.272 288 R C -1.033 175.218 176.300 -0.082 0.000 1.011 288 R CA -0.495 55.613 56.100 0.013 0.000 0.893 288 R CB 2.225 32.582 30.300 0.094 0.000 1.233 288 R HN -0.064 nan 8.270 nan 0.000 0.464 289 A N 1.222 124.029 122.820 -0.022 0.000 2.356 289 A HA 0.674 4.994 4.320 0.000 0.000 0.323 289 A C -0.531 177.124 177.584 0.119 0.000 1.119 289 A CA -0.503 51.478 52.037 -0.094 0.000 0.790 289 A CB 0.567 19.557 19.000 -0.017 0.000 1.273 289 A HN 0.602 nan 8.150 nan 0.000 0.452 290 F N 0.324 120.281 119.950 0.011 0.000 2.717 290 F HA 0.532 5.059 4.527 0.000 0.000 0.295 290 F C 1.137 176.938 175.800 0.002 0.000 1.117 290 F CA -0.056 57.946 58.000 0.004 0.000 1.361 290 F CB -0.260 38.740 39.000 -0.001 0.000 1.112 290 F HN 0.652 nan 8.300 nan 0.000 0.594 291 A N -0.158 122.758 122.820 0.160 0.000 2.549 291 A HA 0.714 5.034 4.320 0.000 0.000 0.297 291 A C -2.759 174.857 177.584 0.053 0.000 1.061 291 A CA -1.596 50.497 52.037 0.094 0.000 0.690 291 A CB 0.865 19.913 19.000 0.080 0.000 1.287 291 A HN -0.212 nan 8.150 nan 0.000 0.402 292 P HA 0.246 nan 4.420 nan 0.000 0.269 292 P C -0.596 176.729 177.300 0.042 0.000 1.217 292 P CA 0.182 63.305 63.100 0.037 0.000 0.783 292 P CB 0.540 32.287 31.700 0.078 0.000 0.898 293 E N 0.553 120.782 120.200 0.049 0.000 2.272 293 E HA 0.401 4.752 4.350 0.000 0.000 0.269 293 E C -1.562 175.079 176.600 0.068 0.000 0.877 293 E CA -0.843 55.586 56.400 0.048 0.000 0.755 293 E CB 1.385 31.107 29.700 0.037 0.000 1.192 293 E HN 0.014 nan 8.360 nan 0.000 0.422 294 V N 3.679 123.629 119.914 0.061 0.000 2.407 294 V HA 0.370 4.491 4.120 0.000 0.000 0.278 294 V C 0.250 176.380 176.094 0.060 0.000 1.037 294 V CA -0.382 61.963 62.300 0.075 0.000 0.900 294 V CB 1.140 33.006 31.823 0.072 0.000 0.983 294 V HN 0.822 nan 8.190 nan 0.000 0.459 295 T N 1.425 116.023 114.554 0.073 0.000 2.912 295 T HA 0.813 5.163 4.350 0.000 0.000 0.288 295 T C -0.288 174.463 174.700 0.086 0.000 1.030 295 T CA -0.569 61.570 62.100 0.066 0.000 1.020 295 T CB 1.879 70.785 68.868 0.064 0.000 1.056 295 T HN 0.817 nan 8.240 nan 0.000 0.480 296 S N 0.565 116.324 115.700 0.099 0.000 2.549 296 S HA 0.582 5.053 4.470 0.000 0.000 0.280 296 S C 0.540 175.253 174.600 0.188 0.000 1.109 296 S CA -0.929 57.377 58.200 0.176 0.000 0.905 296 S CB 0.305 63.628 63.200 0.206 0.000 1.081 296 S HN 1.540 nan 8.310 nan 0.000 0.477 297 C N 1.569 120.982 119.300 0.188 0.000 2.702 297 C HA 0.396 4.856 4.460 0.000 0.000 0.411 297 C C -0.451 174.665 174.990 0.210 0.000 1.286 297 C CA -0.568 58.517 59.018 0.112 0.000 1.979 297 C CB -0.490 27.231 27.740 -0.032 0.000 2.728 297 C HN 0.822 nan 8.230 nan 0.000 0.652 298 P HA 0.129 nan 4.420 nan 0.000 0.221 298 P C 0.879 178.289 177.300 0.184 0.000 1.145 298 P CA 2.033 65.213 63.100 0.133 0.000 0.795 298 P CB -0.504 31.234 31.700 0.063 0.000 0.775 299 G N -0.135 108.731 108.800 0.110 0.000 2.728 299 G HA2 -0.025 3.935 3.960 0.000 0.000 0.686 299 G HA3 -0.025 3.935 3.960 0.000 0.000 0.686 299 G C -0.160 174.744 174.900 0.006 0.000 1.337 299 G CA -0.619 44.494 45.100 0.022 0.000 0.861 299 G HN 0.682 nan 8.290 nan 0.000 0.597 300 C N -0.863 118.419 119.300 -0.031 0.000 3.174 300 C HA 0.938 5.398 4.460 0.000 0.000 0.367 300 C C 2.224 177.202 174.990 -0.020 0.000 3.462 300 C CA 0.432 59.439 59.018 -0.018 0.000 1.281 300 C CB 1.091 28.814 27.740 -0.028 0.000 3.899 300 C HN 2.324 nan 8.230 nan 0.000 0.452 301 G N -0.004 108.784 108.800 -0.019 0.000 2.443 301 G HA2 -0.003 3.957 3.960 0.000 0.000 0.219 301 G HA3 -0.003 3.957 3.960 0.000 0.000 0.219 301 G C 1.477 176.362 174.900 -0.025 0.000 1.131 301 G CA 0.409 45.500 45.100 -0.016 0.000 0.775 301 G HN 0.803 nan 8.290 nan 0.000 0.547 302 R N -0.287 120.188 120.500 -0.042 0.000 2.280 302 R HA 0.032 4.372 4.340 0.000 0.000 0.207 302 R C 0.684 176.950 176.300 -0.057 0.000 1.043 302 R CA 0.565 56.635 56.100 -0.050 0.000 1.006 302 R CB -0.130 30.133 30.300 -0.062 0.000 0.885 302 R HN 0.238 nan 8.270 nan 0.000 0.467 303 T N -0.331 114.189 114.554 -0.057 0.000 2.824 303 T HA 0.192 4.542 4.350 0.000 0.000 0.280 303 T C 0.962 175.664 174.700 0.004 0.000 0.995 303 T CA -0.597 61.470 62.100 -0.055 0.000 1.009 303 T CB 1.766 70.569 68.868 -0.107 0.000 0.955 303 T HN 0.069 nan 8.240 nan 0.000 0.452 304 T N 2.407 116.974 114.554 0.022 0.000 3.010 304 T HA 0.207 4.557 4.350 0.000 0.000 0.252 304 T C 0.886 175.633 174.700 0.077 0.000 1.047 304 T CA -0.029 62.094 62.100 0.038 0.000 1.140 304 T CB 0.077 68.959 68.868 0.025 0.000 0.885 304 T HN 0.526 nan 8.240 nan 0.000 0.464 305 S N 1.502 117.277 115.700 0.124 0.000 2.482 305 S HA 0.381 4.851 4.470 0.000 0.000 0.303 305 S C 1.196 175.963 174.600 0.278 0.000 1.091 305 S CA -0.514 57.792 58.200 0.176 0.000 1.057 305 S CB 1.483 64.790 63.200 0.178 0.000 1.031 305 S HN 0.385 nan 8.310 nan 0.000 0.485 306 T N 2.648 117.320 114.554 0.196 0.000 3.113 306 T HA -0.028 4.322 4.350 0.000 0.000 0.263 306 T C 1.443 176.184 174.700 0.068 0.000 1.143 306 T CA 0.542 62.709 62.100 0.111 0.000 1.090 306 T CB -0.550 68.331 68.868 0.021 0.000 0.922 306 T HN 0.591 nan 8.240 nan 0.000 0.521 307 F N 3.098 123.086 119.950 0.062 0.000 2.063 307 F HA -0.181 4.346 4.527 0.000 0.000 0.298 307 F C 1.819 177.626 175.800 0.013 0.000 1.109 307 F CA 1.902 59.923 58.000 0.034 0.000 1.212 307 F CB -0.800 38.236 39.000 0.061 0.000 0.973 307 F HN 0.318 nan 8.300 nan 0.000 0.480 308 F N 0.723 120.732 119.950 0.099 0.000 2.154 308 F HA -0.246 4.282 4.527 0.000 0.000 0.301 308 F C 2.147 177.884 175.800 -0.105 0.000 1.087 308 F CA 1.751 59.739 58.000 -0.020 0.000 1.274 308 F CB -1.516 37.496 39.000 0.020 0.000 1.009 308 F HN 0.161 nan 8.300 nan 0.000 0.485 309 Q N 0.895 119.957 119.800 -1.229 0.000 2.137 309 Q HA -0.092 4.248 4.340 0.000 0.000 0.198 309 Q C 2.009 177.709 176.000 -0.500 0.000 0.960 309 Q CA 1.928 57.105 55.803 -1.043 0.000 0.847 309 Q CB -0.418 27.686 28.738 -1.057 0.000 0.915 309 Q HN 0.713 nan 8.270 nan 0.000 0.448 310 E N 0.008 119.955 120.200 -0.422 0.000 2.106 310 E HA -0.173 4.177 4.350 0.000 0.000 0.192 310 E C 1.798 178.188 176.600 -0.349 0.000 0.984 310 E CA 0.921 57.124 56.400 -0.328 0.000 0.806 310 E CB -0.333 29.187 29.700 -0.301 0.000 0.750 310 E HN 0.257 nan 8.360 nan 0.000 0.458 311 L N 1.749 122.692 121.223 -0.467 0.000 2.046 311 L HA -0.085 4.256 4.340 0.000 0.000 0.208 311 L C 2.319 179.077 176.870 -0.188 0.000 1.077 311 L CA 2.096 56.711 54.840 -0.375 0.000 0.747 311 L CB -0.900 40.907 42.059 -0.420 0.000 0.896 311 L HN 0.086 nan 8.230 nan 0.000 0.432 312 A N -0.867 121.843 122.820 -0.185 0.000 1.930 312 A HA -0.185 4.135 4.320 0.000 0.000 0.217 312 A C 2.130 179.671 177.584 -0.071 0.000 1.175 312 A CA 1.507 53.492 52.037 -0.087 0.000 0.627 312 A CB -0.574 18.373 19.000 -0.089 0.000 0.815 312 A HN 0.599 nan 8.150 nan 0.000 0.443 313 E N -0.560 119.569 120.200 -0.119 0.000 2.110 313 E HA -0.190 4.160 4.350 0.000 0.000 0.193 313 E C 2.026 178.584 176.600 -0.070 0.000 0.988 313 E CA 1.068 57.412 56.400 -0.093 0.000 0.804 313 E CB -0.043 29.588 29.700 -0.115 0.000 0.745 313 E HN 0.511 nan 8.360 nan 0.000 0.458 314 E N 0.488 120.640 120.200 -0.079 0.000 2.028 314 E HA -0.115 4.235 4.350 0.000 0.000 0.190 314 E C 2.271 178.862 176.600 -0.016 0.000 0.984 314 E CA 0.567 56.935 56.400 -0.054 0.000 0.800 314 E CB -0.127 29.532 29.700 -0.068 0.000 0.758 314 E HN 0.062 nan 8.360 nan 0.000 0.448 315 V N 1.121 121.047 119.914 0.019 0.000 2.252 315 V HA -0.293 3.828 4.120 0.000 0.000 0.249 315 V C 2.660 178.776 176.094 0.036 0.000 1.056 315 V CA 2.204 64.550 62.300 0.077 0.000 1.022 315 V CB -0.819 31.114 31.823 0.184 0.000 0.641 315 V HN 0.294 nan 8.190 nan 0.000 0.445 316 S N -0.525 115.186 115.700 0.020 0.000 2.370 316 S HA -0.287 4.183 4.470 0.000 0.000 0.226 316 S C 2.215 176.799 174.600 -0.027 0.000 1.033 316 S CA 2.056 60.257 58.200 0.002 0.000 1.011 316 S CB -0.379 62.817 63.200 -0.006 0.000 0.852 316 S HN 0.539 nan 8.310 nan 0.000 0.457 317 R N 0.230 120.709 120.500 -0.035 0.000 2.081 317 R HA 0.062 4.403 4.340 0.000 0.000 0.235 317 R C 2.754 179.014 176.300 -0.067 0.000 1.131 317 R CA 1.340 57.410 56.100 -0.049 0.000 0.960 317 R CB -0.211 30.061 30.300 -0.046 0.000 0.856 317 R HN 0.358 nan 8.270 nan 0.000 0.436 318 R N -0.076 120.388 120.500 -0.061 0.000 2.193 318 R HA -0.040 4.300 4.340 0.000 0.000 0.213 318 R C 1.996 178.195 176.300 -0.169 0.000 1.055 318 R CA 0.460 56.505 56.100 -0.091 0.000 0.995 318 R CB 0.050 30.318 30.300 -0.055 0.000 0.893 318 R HN 0.139 nan 8.270 nan 0.000 0.459 319 L N 0.725 121.862 121.223 -0.144 0.000 2.056 319 L HA -0.109 4.231 4.340 0.000 0.000 0.207 319 L C 2.058 178.763 176.870 -0.275 0.000 1.078 319 L CA 1.622 56.313 54.840 -0.248 0.000 0.749 319 L CB -0.300 41.717 42.059 -0.069 0.000 0.901 319 L HN -0.069 nan 8.230 nan 0.000 0.433 320 K N -0.129 120.178 120.400 -0.156 0.000 2.585 320 K HA -0.170 4.150 4.320 0.000 0.000 0.194 320 K C 1.372 177.880 176.600 -0.154 0.000 1.037 320 K CA 1.154 57.366 56.287 -0.125 0.000 0.964 320 K CB 0.157 32.614 32.500 -0.072 0.000 0.787 320 K HN 0.608 nan 8.250 nan 0.000 0.488 321 E N -1.895 118.176 120.200 -0.215 0.000 2.541 321 E HA 0.053 4.403 4.350 0.000 0.000 0.219 321 E C 1.158 177.586 176.600 -0.287 0.000 0.922 321 E CA -0.443 55.838 56.400 -0.199 0.000 1.095 321 E CB 0.273 29.887 29.700 -0.144 0.000 1.112 321 E HN -0.003 nan 8.360 nan 0.000 0.516 322 R N 0.622 120.822 120.500 -0.500 0.000 2.275 322 R HA 0.108 4.448 4.340 0.000 0.000 0.199 322 R C 1.861 177.720 176.300 -0.735 0.000 0.989 322 R CA 0.180 55.800 56.100 -0.800 0.000 1.016 322 R CB -0.379 28.965 30.300 -1.593 0.000 0.918 322 R HN 0.210 nan 8.270 nan 0.000 0.473 323 L N 2.129 123.079 121.223 -0.455 0.000 1.989 323 L HA -0.082 4.258 4.340 0.000 0.000 0.211 323 L C -0.867 175.970 176.870 -0.054 0.000 1.071 323 L CA 2.074 56.798 54.840 -0.193 0.000 0.749 323 L CB -1.313 40.680 42.059 -0.110 0.000 0.890 323 L HN 0.044 nan 8.230 nan 0.000 0.431 324 P HA -0.118 nan 4.420 nan 0.000 0.223 324 P C 1.349 178.649 177.300 -0.001 0.000 1.151 324 P CA 0.981 64.065 63.100 -0.026 0.000 0.787 324 P CB 0.179 31.855 31.700 -0.040 0.000 0.788 325 E N -1.052 119.143 120.200 -0.008 0.000 2.005 325 E HA -0.172 4.178 4.350 0.000 0.000 0.191 325 E C 1.478 178.195 176.600 0.194 0.000 0.987 325 E CA 1.027 57.464 56.400 0.063 0.000 0.814 325 E CB -0.506 29.237 29.700 0.071 0.000 0.772 325 E HN 0.011 nan 8.360 nan 0.000 0.453 326 W N 1.366 122.696 121.300 0.051 0.000 2.292 326 W HA -0.190 4.471 4.660 0.000 0.000 0.304 326 W C 2.537 179.097 176.519 0.068 0.000 1.228 326 W CA 1.230 58.670 57.345 0.158 0.000 1.241 326 W CB -0.914 28.625 29.460 0.132 0.000 1.142 326 W HN 0.238 nan 8.180 nan 0.000 0.520 327 R N -0.081 120.562 120.500 0.238 0.000 2.066 327 R HA -0.059 4.281 4.340 0.000 0.000 0.232 327 R C 2.288 178.617 176.300 0.048 0.000 1.131 327 R CA 1.813 57.985 56.100 0.120 0.000 0.955 327 R CB -0.572 29.770 30.300 0.070 0.000 0.851 327 R HN 0.035 nan 8.270 nan 0.000 0.432 328 A N 0.046 122.873 122.820 0.011 0.000 2.067 328 A HA -0.034 4.286 4.320 0.000 0.000 0.217 328 A C 1.968 179.484 177.584 -0.113 0.000 1.156 328 A CA 0.793 52.809 52.037 -0.036 0.000 0.683 328 A CB -0.101 18.879 19.000 -0.032 0.000 0.808 328 A HN 0.246 nan 8.150 nan 0.000 0.455 329 R N -2.283 118.075 120.500 -0.236 0.000 2.156 329 R HA 0.117 4.457 4.340 0.000 0.000 0.207 329 R C -0.706 175.181 176.300 -0.689 0.000 1.040 329 R CA 0.572 56.306 56.100 -0.610 0.000 1.013 329 R CB 0.209 29.857 30.300 -1.088 0.000 0.931 329 R HN 0.503 nan 8.270 nan 0.000 0.465 330 Y N 0.972 121.302 120.300 0.050 0.000 2.488 330 Y HA 0.345 4.896 4.550 0.000 0.000 0.330 330 Y C -2.351 173.586 175.900 0.062 0.000 1.013 330 Y CA -4.063 54.064 58.100 0.045 0.000 1.304 330 Y CB 0.921 39.369 38.460 -0.020 0.000 1.098 330 Y HN -0.072 nan 8.280 nan 0.000 0.498 331 P HA 0.201 nan 4.420 nan 0.000 0.271 331 P C 0.951 178.392 177.300 0.236 0.000 1.216 331 P CA 0.912 64.112 63.100 0.166 0.000 0.776 331 P CB 1.321 33.102 31.700 0.134 0.000 0.881 332 G N 1.298 110.207 108.800 0.181 0.000 2.175 332 G HA2 -0.293 3.667 3.960 0.000 0.000 0.244 332 G HA3 -0.293 3.667 3.960 0.000 0.000 0.244 332 G C 0.805 175.748 174.900 0.071 0.000 0.982 332 G CA 0.106 45.344 45.100 0.231 0.000 0.641 332 G HN 0.503 nan 8.290 nan 0.000 0.527 333 V N 0.660 120.460 119.914 -0.190 0.000 2.759 333 V HA 0.016 4.136 4.120 0.000 0.000 0.256 333 V C 2.508 178.394 176.094 -0.345 0.000 1.080 333 V CA 2.918 64.787 62.300 -0.717 0.000 1.101 333 V CB -0.143 31.390 31.823 -0.482 0.000 0.698 333 V HN 0.540 nan 8.190 nan 0.000 0.477 334 E N 0.253 120.399 120.200 -0.090 0.000 2.233 334 E HA -0.211 4.139 4.350 0.000 0.000 0.199 334 E C 1.947 178.545 176.600 -0.004 0.000 1.004 334 E CA 1.465 57.868 56.400 0.005 0.000 0.819 334 E CB -0.130 29.625 29.700 0.092 0.000 0.738 334 E HN 0.622 nan 8.360 nan 0.000 0.478 335 E N 0.040 120.229 120.200 -0.018 0.000 2.479 335 E HA 0.031 4.381 4.350 0.000 0.000 0.193 335 E C 0.296 176.925 176.600 0.047 0.000 1.049 335 E CA -0.197 56.246 56.400 0.072 0.000 0.870 335 E CB -0.059 29.750 29.700 0.182 0.000 0.944 335 E HN 0.218 nan 8.360 nan 0.000 0.492 336 L N 2.325 123.431 121.223 -0.195 0.000 2.513 336 L HA 0.000 4.341 4.340 0.000 0.000 0.272 336 L C -0.201 176.663 176.870 -0.010 0.000 1.187 336 L CA 0.555 55.176 54.840 -0.365 0.000 0.895 336 L CB 0.341 42.161 42.059 -0.399 0.000 1.147 336 L HN -0.292 nan 8.230 nan 0.000 0.483 337 K N 5.340 125.906 120.400 0.276 0.000 2.323 337 K HA 0.549 4.869 4.320 0.000 0.000 0.259 337 K C -1.345 175.383 176.600 0.213 0.000 0.947 337 K CA -0.695 55.755 56.287 0.272 0.000 0.819 337 K CB 2.173 34.855 32.500 0.303 0.000 1.109 337 K HN 0.452 nan 8.250 nan 0.000 0.429 338 V N 1.626 121.628 119.914 0.147 0.000 2.540 338 V HA 0.582 4.702 4.120 0.000 0.000 0.302 338 V C -0.377 175.815 176.094 0.165 0.000 1.035 338 V CA -0.967 61.428 62.300 0.159 0.000 0.873 338 V CB 1.689 33.615 31.823 0.172 0.000 0.992 338 V HN 0.883 nan 8.190 nan 0.000 0.428 339 A N 4.206 127.131 122.820 0.175 0.000 2.350 339 A HA 0.902 5.222 4.320 0.000 0.000 0.324 339 A C -0.979 176.672 177.584 0.112 0.000 1.118 339 A CA -0.591 51.522 52.037 0.127 0.000 0.783 339 A CB 1.779 20.831 19.000 0.086 0.000 1.236 339 A HN 0.707 nan 8.150 nan 0.000 0.457 340 V N 4.362 124.333 119.914 0.096 0.000 2.447 340 V HA 0.408 4.529 4.120 0.000 0.000 0.292 340 V C -0.544 175.652 176.094 0.170 0.000 1.021 340 V CA -0.445 61.897 62.300 0.070 0.000 0.850 340 V CB 1.195 33.054 31.823 0.061 0.000 1.005 340 V HN 0.925 nan 8.190 nan 0.000 0.426 341 M N 2.452 122.095 119.600 0.071 0.000 2.654 341 M HA 0.534 5.014 4.480 0.000 0.000 0.310 341 M C 1.270 177.417 176.300 -0.255 0.000 1.211 341 M CA -0.473 54.800 55.300 -0.045 0.000 0.947 341 M CB 1.423 33.980 32.600 -0.072 0.000 1.647 341 M HN 0.556 nan 8.290 nan 0.000 0.481 342 G N 0.224 108.636 108.800 -0.647 0.000 3.088 342 G HA2 0.308 4.268 3.960 0.000 0.000 0.217 342 G HA3 0.308 4.268 3.960 0.000 0.000 0.217 342 G C 0.192 174.850 174.900 -0.403 0.000 1.159 342 G CA 0.114 44.632 45.100 -0.969 0.000 0.760 342 G HN 0.822 nan 8.290 nan 0.000 0.550 343 C N -2.435 116.719 119.300 -0.244 0.000 3.239 343 C HA 0.629 5.089 4.460 0.000 0.000 0.317 343 C C 1.235 176.175 174.990 -0.082 0.000 1.310 343 C CA -0.625 58.312 59.018 -0.135 0.000 1.371 343 C CB 1.283 28.951 27.740 -0.121 0.000 1.714 343 C HN -0.059 nan 8.230 nan 0.000 0.473 344 V N 1.522 121.409 119.914 -0.046 0.000 2.446 344 V HA -0.075 4.045 4.120 0.000 0.000 0.244 344 V C 2.340 178.426 176.094 -0.014 0.000 1.039 344 V CA 1.952 64.244 62.300 -0.012 0.000 1.045 344 V CB -0.489 31.337 31.823 0.004 0.000 0.681 344 V HN 0.910 nan 8.190 nan 0.000 0.459 345 V N 0.988 120.886 119.914 -0.026 0.000 2.332 345 V HA -0.301 3.819 4.120 0.000 0.000 0.248 345 V C 1.797 177.868 176.094 -0.038 0.000 1.055 345 V CA 2.914 65.199 62.300 -0.025 0.000 1.038 345 V CB -0.442 31.365 31.823 -0.026 0.000 0.651 345 V HN 0.717 nan 8.190 nan 0.000 0.450 346 N N -1.350 117.318 118.700 -0.054 0.000 2.332 346 N HA 0.119 4.860 4.740 0.000 0.000 0.190 346 N C 1.741 177.202 175.510 -0.082 0.000 1.117 346 N CA 0.578 53.588 53.050 -0.066 0.000 0.883 346 N CB 0.109 38.558 38.487 -0.065 0.000 1.089 346 N HN 0.485 nan 8.380 nan 0.000 0.480 347 G N 2.931 111.682 108.800 -0.083 0.000 2.599 347 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 347 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 347 G C -0.878 173.956 174.900 -0.109 0.000 1.193 347 G CA 1.088 46.136 45.100 -0.086 0.000 0.778 347 G HN 0.252 nan 8.290 nan 0.000 0.589 348 P HA -0.015 nan 4.420 nan 0.000 0.215 348 P C 2.169 179.285 177.300 -0.307 0.000 1.157 348 P CA 1.818 64.707 63.100 -0.352 0.000 0.863 348 P CB -0.538 30.823 31.700 -0.565 0.000 0.787 349 G N -0.145 108.525 108.800 -0.217 0.000 2.432 349 G HA2 -0.244 3.716 3.960 0.000 0.000 0.219 349 G HA3 -0.244 3.716 3.960 0.000 0.000 0.219 349 G C 1.317 176.143 174.900 -0.123 0.000 1.135 349 G CA 0.525 45.527 45.100 -0.165 0.000 0.767 349 G HN 0.309 nan 8.290 nan 0.000 0.550 350 E N -0.009 120.130 120.200 -0.101 0.000 2.502 350 E HA 0.070 4.420 4.350 0.000 0.000 0.194 350 E C 1.440 178.008 176.600 -0.053 0.000 1.062 350 E CA 0.478 56.841 56.400 -0.062 0.000 0.867 350 E CB 0.241 29.910 29.700 -0.052 0.000 0.888 350 E HN 0.519 nan 8.360 nan 0.000 0.510 351 S N -1.199 114.441 115.700 -0.099 0.000 2.941 351 S HA 0.238 4.708 4.470 0.000 0.000 0.251 351 S C 0.860 175.381 174.600 -0.133 0.000 1.029 351 S CA -0.602 57.552 58.200 -0.077 0.000 1.062 351 S CB 0.398 63.570 63.200 -0.046 0.000 0.977 351 S HN -0.045 nan 8.310 nan 0.000 0.552 352 K N 1.207 121.474 120.400 -0.221 0.000 2.173 352 K HA -0.103 4.217 4.320 0.000 0.000 0.207 352 K C 1.127 177.494 176.600 -0.389 0.000 1.046 352 K CA 1.660 57.722 56.287 -0.375 0.000 0.929 352 K CB -0.212 31.959 32.500 -0.548 0.000 0.720 352 K HN 0.562 nan 8.250 nan 0.000 0.453 353 H N -1.199 117.833 119.070 -0.063 0.000 2.529 353 H HA 0.283 4.839 4.556 0.000 0.000 0.277 353 H C -0.114 175.166 175.328 -0.080 0.000 1.004 353 H CA 0.016 56.022 56.048 -0.069 0.000 1.167 353 H CB 0.183 29.915 29.762 -0.050 0.000 1.445 353 H HN 0.094 nan 8.280 nan 0.000 0.554 354 A N 0.781 123.608 122.820 0.011 0.000 2.354 354 A HA 0.145 4.465 4.320 0.000 0.000 0.269 354 A C 0.953 178.514 177.584 -0.037 0.000 1.109 354 A CA -0.401 51.653 52.037 0.028 0.000 0.800 354 A CB 0.504 19.538 19.000 0.057 0.000 1.045 354 A HN 0.424 nan 8.150 nan 0.000 0.489 355 H N 1.247 120.316 119.070 -0.002 0.000 2.321 355 H HA -0.018 4.538 4.556 0.000 0.000 0.300 355 H C 0.231 175.329 175.328 -0.383 0.000 1.087 355 H CA 2.121 58.103 56.048 -0.109 0.000 1.319 355 H CB 0.215 29.930 29.762 -0.078 0.000 1.379 355 H HN 0.599 nan 8.280 nan 0.000 0.501 356 I N 0.161 120.627 120.570 -0.174 0.000 2.610 356 I HA 0.490 4.660 4.170 0.000 0.000 0.289 356 I C -0.862 175.331 176.117 0.126 0.000 1.163 356 I CA -0.545 60.667 61.300 -0.146 0.000 1.044 356 I CB 2.046 39.798 38.000 -0.414 0.000 1.251 356 I HN 0.090 nan 8.210 nan 0.000 0.424 357 G N 6.970 115.901 108.800 0.218 0.000 2.619 357 G HA2 0.705 4.665 3.960 0.000 0.000 0.296 357 G HA3 0.705 4.665 3.960 0.000 0.000 0.296 357 G C -2.090 172.955 174.900 0.242 0.000 1.334 357 G CA -0.663 44.585 45.100 0.247 0.000 0.934 357 G HN 0.699 nan 8.290 nan 0.000 0.476 358 I N -0.080 120.508 120.570 0.029 0.000 2.647 358 I HA 0.697 4.868 4.170 0.000 0.000 0.295 358 I C -0.710 175.373 176.117 -0.058 0.000 1.078 358 I CA -0.669 60.566 61.300 -0.108 0.000 1.048 358 I CB 2.258 39.910 38.000 -0.579 0.000 1.239 358 I HN 0.413 nan 8.210 nan 0.000 0.421 359 S N 6.799 122.497 115.700 -0.003 0.000 2.502 359 S HA 0.639 5.109 4.470 0.000 0.000 0.304 359 S C -0.757 173.844 174.600 0.001 0.000 1.097 359 S CA -0.512 57.686 58.200 -0.003 0.000 1.045 359 S CB 1.634 64.846 63.200 0.019 0.000 1.019 359 S HN 0.411 nan 8.310 nan 0.000 0.481 360 L N 4.098 125.324 121.223 0.006 0.000 2.322 360 L HA 0.487 4.827 4.340 0.000 0.000 0.279 360 L C -2.230 174.643 176.870 0.005 0.000 1.036 360 L CA -2.117 52.752 54.840 0.048 0.000 0.807 360 L CB 0.579 42.749 42.059 0.186 0.000 1.226 360 L HN 0.350 nan 8.230 nan 0.000 0.433 361 P HA -0.011 nan 4.420 nan 0.000 0.264 361 P C -0.196 177.090 177.300 -0.023 0.000 1.173 361 P CA 0.258 63.347 63.100 -0.018 0.000 0.761 361 P CB 0.457 32.139 31.700 -0.029 0.000 0.794 362 G N 0.863 109.643 108.800 -0.035 0.000 3.119 362 G HA2 0.616 4.576 3.960 0.000 0.000 0.206 362 G HA3 0.616 4.576 3.960 0.000 0.000 0.206 362 G C -0.968 173.917 174.900 -0.026 0.000 1.313 362 G CA -0.490 44.587 45.100 -0.039 0.000 1.010 362 G HN 0.568 nan 8.290 nan 0.000 0.578 363 A N -1.089 121.716 122.820 -0.025 0.000 2.477 363 A HA 0.509 4.829 4.320 0.000 0.000 0.246 363 A C 1.446 179.020 177.584 -0.018 0.000 1.078 363 A CA 0.957 52.983 52.037 -0.017 0.000 0.770 363 A CB -0.554 18.438 19.000 -0.014 0.000 1.011 363 A HN 2.504 nan 8.150 nan 0.000 0.494 364 G N 2.121 110.912 108.800 -0.015 0.000 2.395 364 G HA2 -0.210 3.750 3.960 0.000 0.000 0.300 364 G HA3 -0.210 3.750 3.960 0.000 0.000 0.300 364 G C -0.075 174.815 174.900 -0.016 0.000 0.998 364 G CA 0.930 46.021 45.100 -0.014 0.000 1.046 364 G HN 0.893 nan 8.290 nan 0.000 0.513 365 E N -0.302 119.888 120.200 -0.018 0.000 2.244 365 E HA 0.340 4.690 4.350 0.000 0.000 0.266 365 E C 0.244 176.834 176.600 -0.018 0.000 0.914 365 E CA -0.934 55.456 56.400 -0.017 0.000 0.794 365 E CB 1.485 31.174 29.700 -0.020 0.000 1.210 365 E HN 0.421 nan 8.360 nan 0.000 0.414 366 E N 2.376 122.567 120.200 -0.015 0.000 2.436 366 E HA -0.013 4.337 4.350 0.000 0.000 0.262 366 E C -1.810 174.778 176.600 -0.021 0.000 1.063 366 E CA -1.073 55.317 56.400 -0.016 0.000 0.944 366 E CB 0.338 30.031 29.700 -0.012 0.000 0.950 366 E HN 0.215 nan 8.360 nan 0.000 0.444 367 P HA 0.051 nan 4.420 nan 0.000 0.237 367 P C -0.852 176.430 177.300 -0.030 0.000 1.723 367 P CA 0.422 63.500 63.100 -0.037 0.000 0.882 367 P CB 0.039 31.713 31.700 -0.044 0.000 1.810 368 K N 0.645 121.033 120.400 -0.020 0.000 2.259 368 K HA 0.675 4.996 4.320 0.000 0.000 0.252 368 K C -0.299 176.299 176.600 -0.004 0.000 0.936 368 K CA -0.915 55.366 56.287 -0.011 0.000 0.810 368 K CB 2.976 35.472 32.500 -0.007 0.000 1.143 368 K HN -0.050 nan 8.250 nan 0.000 0.427 369 A N 4.057 126.879 122.820 0.003 0.000 2.328 369 A HA 0.495 4.815 4.320 0.000 0.000 0.318 369 A C -2.518 175.076 177.584 0.017 0.000 1.347 369 A CA -1.686 50.358 52.037 0.012 0.000 0.842 369 A CB 0.498 19.506 19.000 0.014 0.000 1.148 369 A HN 0.283 nan 8.150 nan 0.000 0.499 370 P HA 0.291 nan 4.420 nan 0.000 0.271 370 P C -0.520 176.806 177.300 0.043 0.000 1.216 370 P CA -0.040 63.063 63.100 0.005 0.000 0.776 370 P CB 1.180 32.916 31.700 0.061 0.000 0.881 371 V N 4.710 124.613 119.914 -0.018 0.000 2.384 371 V HA 0.315 4.435 4.120 0.000 0.000 0.287 371 V C -0.619 175.459 176.094 -0.027 0.000 1.020 371 V CA -0.412 61.940 62.300 0.085 0.000 0.850 371 V CB 0.444 32.363 31.823 0.160 0.000 0.987 371 V HN 0.404 nan 8.190 nan 0.000 0.436 372 Y N 2.378 122.724 120.300 0.078 0.000 2.352 372 Y HA 0.685 5.236 4.550 0.000 0.000 0.339 372 Y C 0.435 176.355 175.900 0.033 0.000 0.992 372 Y CA -0.697 57.430 58.100 0.045 0.000 1.100 372 Y CB 2.126 40.596 38.460 0.016 0.000 1.192 372 Y HN 0.643 nan 8.280 nan 0.000 0.458 373 A N 3.199 126.125 122.820 0.177 0.000 3.064 373 A HA 0.525 4.845 4.320 0.000 0.000 0.339 373 A C -0.026 177.660 177.584 0.171 0.000 1.078 373 A CA -0.367 51.757 52.037 0.146 0.000 0.869 373 A CB -0.444 18.684 19.000 0.213 0.000 1.067 373 A HN 0.925 nan 8.150 nan 0.000 0.480 374 D N 0.097 120.588 120.400 0.152 0.000 4.018 374 D HA -0.202 4.438 4.640 0.000 0.000 0.207 374 D C 0.976 177.379 176.300 0.171 0.000 1.219 374 D CA 2.193 56.256 54.000 0.106 0.000 2.366 374 D CB -1.795 39.051 40.800 0.076 0.000 1.202 374 D HN 1.100 nan 8.370 nan 0.000 0.414 375 G N 0.660 109.562 108.800 0.171 0.000 2.535 375 G HA2 0.454 4.414 3.960 0.000 0.000 0.303 375 G HA3 0.454 4.414 3.960 0.000 0.000 0.303 375 G C -0.296 174.705 174.900 0.168 0.000 1.237 375 G CA 0.068 45.279 45.100 0.185 0.000 0.986 375 G HN 0.399 nan 8.290 nan 0.000 0.494 376 K N -0.468 119.888 120.400 -0.073 0.000 2.447 376 K HA 0.125 4.445 4.320 0.000 0.000 0.281 376 K C 0.685 177.147 176.600 -0.231 0.000 1.031 376 K CA -0.048 55.929 56.287 -0.516 0.000 1.019 376 K CB 0.967 33.223 32.500 -0.408 0.000 0.918 376 K HN 0.262 nan 8.250 nan 0.000 0.476 377 L N 5.097 126.194 121.223 -0.209 0.000 2.286 377 L HA 0.381 4.721 4.340 0.000 0.000 0.203 377 L C -0.015 176.816 176.870 -0.066 0.000 1.068 377 L CA 1.150 55.948 54.840 -0.070 0.000 0.811 377 L CB -0.018 42.045 42.059 0.008 0.000 0.989 377 L HN 0.821 nan 8.230 nan 0.000 0.467 378 L N -4.871 116.300 121.223 -0.087 0.000 3.075 378 L HA 0.389 4.729 4.340 0.000 0.000 0.274 378 L C -1.340 175.497 176.870 -0.055 0.000 1.006 378 L CA -0.841 53.964 54.840 -0.059 0.000 0.972 378 L CB 1.144 43.195 42.059 -0.013 0.000 1.515 378 L HN -0.306 nan 8.230 nan 0.000 0.402 379 T N 2.211 116.743 114.554 -0.037 0.000 2.799 379 T HA 0.594 4.944 4.350 0.000 0.000 0.286 379 T C -0.085 174.618 174.700 0.005 0.000 0.973 379 T CA -0.062 62.024 62.100 -0.022 0.000 1.035 379 T CB 1.020 69.875 68.868 -0.022 0.000 0.932 379 T HN 0.407 nan 8.240 nan 0.000 0.469 380 I N 4.979 125.561 120.570 0.019 0.000 2.297 380 I HA 0.211 4.381 4.170 0.000 0.000 0.291 380 I C 0.168 176.295 176.117 0.017 0.000 1.033 380 I CA -0.985 60.334 61.300 0.033 0.000 1.253 380 I CB 0.782 38.819 38.000 0.063 0.000 1.396 380 I HN 0.524 nan 8.210 nan 0.000 0.476 381 L N 5.232 126.463 121.223 0.012 0.000 2.461 381 L HA 0.229 4.569 4.340 0.000 0.000 0.272 381 L C 0.665 177.535 176.870 -0.000 0.000 1.197 381 L CA -0.147 54.695 54.840 0.002 0.000 0.836 381 L CB -0.039 42.022 42.059 0.002 0.000 1.105 381 L HN 0.351 nan 8.230 nan 0.000 0.477 382 K N 2.308 122.698 120.400 -0.017 0.000 3.245 382 K HA 0.262 4.582 4.320 0.000 0.000 0.285 382 K C 0.551 177.135 176.600 -0.027 0.000 1.156 382 K CA 0.346 56.611 56.287 -0.037 0.000 1.162 382 K CB -1.008 31.450 32.500 -0.070 0.000 1.365 382 K HN 0.919 nan 8.250 nan 0.000 0.316 383 G N 0.751 109.551 108.800 0.001 0.000 2.562 383 G HA2 -0.087 3.874 3.960 0.000 0.000 0.233 383 G HA3 -0.087 3.874 3.960 0.000 0.000 0.233 383 G C 0.473 175.384 174.900 0.018 0.000 1.266 383 G CA -0.457 44.652 45.100 0.014 0.000 0.852 383 G HN 0.452 nan 8.290 nan 0.000 0.581 384 E N 1.683 121.898 120.200 0.024 0.000 2.204 384 E HA -0.105 4.245 4.350 0.000 0.000 0.195 384 E C 2.503 179.157 176.600 0.090 0.000 0.990 384 E CA 1.073 57.499 56.400 0.044 0.000 0.821 384 E CB -0.199 29.525 29.700 0.040 0.000 0.750 384 E HN 0.589 nan 8.360 nan 0.000 0.477 385 G N 1.293 110.140 108.800 0.079 0.000 2.776 385 G HA2 -0.114 3.846 3.960 0.000 0.000 0.209 385 G HA3 -0.114 3.846 3.960 0.000 0.000 0.209 385 G C 1.549 176.524 174.900 0.125 0.000 1.145 385 G CA -0.146 45.010 45.100 0.094 0.000 0.791 385 G HN 0.160 nan 8.290 nan 0.000 0.530 386 I N 1.330 121.984 120.570 0.141 0.000 2.147 386 I HA -0.407 3.763 4.170 0.000 0.000 0.245 386 I C 3.229 179.469 176.117 0.204 0.000 1.059 386 I CA 1.544 62.945 61.300 0.168 0.000 1.320 386 I CB -0.434 37.682 38.000 0.193 0.000 1.021 386 I HN 0.311 nan 8.210 nan 0.000 0.415 387 A N 0.211 123.153 122.820 0.203 0.000 1.883 387 A HA -0.291 4.029 4.320 0.000 0.000 0.217 387 A C 2.225 179.924 177.584 0.193 0.000 1.186 387 A CA 2.342 54.484 52.037 0.175 0.000 0.624 387 A CB -0.591 18.471 19.000 0.104 0.000 0.822 387 A HN 0.449 nan 8.150 nan 0.000 0.444 388 E N -0.028 120.259 120.200 0.146 0.000 2.112 388 E HA -0.093 4.257 4.350 0.000 0.000 0.190 388 E C 1.863 178.537 176.600 0.123 0.000 0.979 388 E CA 1.408 57.878 56.400 0.116 0.000 0.814 388 E CB -0.278 29.474 29.700 0.086 0.000 0.762 388 E HN 0.711 nan 8.360 nan 0.000 0.460 389 E N -0.826 119.459 120.200 0.142 0.000 2.110 389 E HA -0.163 4.187 4.350 0.000 0.000 0.193 389 E C 1.624 178.333 176.600 0.182 0.000 0.988 389 E CA 1.001 57.484 56.400 0.139 0.000 0.804 389 E CB -0.229 29.551 29.700 0.133 0.000 0.745 389 E HN 0.273 nan 8.360 nan 0.000 0.458 390 F N 0.820 120.811 119.950 0.069 0.000 2.163 390 F HA -0.036 4.492 4.527 0.000 0.000 0.297 390 F C 1.776 177.624 175.800 0.079 0.000 1.094 390 F CA 0.955 58.998 58.000 0.071 0.000 1.290 390 F CB -0.035 39.008 39.000 0.073 0.000 1.017 390 F HN -0.091 nan 8.300 nan 0.000 0.483 391 L N -0.276 120.975 121.223 0.047 0.000 2.093 391 L HA -0.169 4.171 4.340 0.000 0.000 0.208 391 L C 2.566 179.432 176.870 -0.008 0.000 1.085 391 L CA 0.965 55.792 54.840 -0.020 0.000 0.755 391 L CB -0.559 41.541 42.059 0.067 0.000 0.904 391 L HN -0.010 nan 8.230 nan 0.000 0.435 392 R N 0.539 121.054 120.500 0.025 0.000 2.091 392 R HA -0.150 4.190 4.340 0.000 0.000 0.238 392 R C 2.072 178.367 176.300 -0.009 0.000 1.136 392 R CA 1.727 57.845 56.100 0.030 0.000 0.959 392 R CB -0.741 29.587 30.300 0.046 0.000 0.856 392 R HN 0.276 nan 8.270 nan 0.000 0.437 393 L N -0.918 120.271 121.223 -0.056 0.000 2.027 393 L HA -0.128 4.213 4.340 0.000 0.000 0.206 393 L C 2.347 179.139 176.870 -0.131 0.000 1.074 393 L CA 1.013 55.807 54.840 -0.077 0.000 0.745 393 L CB -0.704 41.317 42.059 -0.065 0.000 0.898 393 L HN -0.027 nan 8.230 nan 0.000 0.433 394 V N 0.337 120.061 119.914 -0.316 0.000 2.250 394 V HA -0.360 3.760 4.120 0.000 0.000 0.250 394 V C 2.634 178.693 176.094 -0.058 0.000 1.060 394 V CA 2.326 64.486 62.300 -0.233 0.000 1.030 394 V CB -0.487 31.190 31.823 -0.243 0.000 0.643 394 V HN 0.486 nan 8.190 nan 0.000 0.445 395 E N 0.600 120.797 120.200 -0.005 0.000 2.049 395 E HA -0.267 4.083 4.350 0.000 0.000 0.198 395 E C 1.704 178.241 176.600 -0.106 0.000 1.007 395 E CA 2.267 58.659 56.400 -0.013 0.000 0.809 395 E CB -0.436 29.340 29.700 0.128 0.000 0.749 395 E HN 0.696 nan 8.360 nan 0.000 0.450 396 D N -1.344 119.029 120.400 -0.044 0.000 2.178 396 D HA -0.121 4.519 4.640 0.000 0.000 0.202 396 D C 1.465 177.714 176.300 -0.084 0.000 0.974 396 D CA 0.940 54.903 54.000 -0.061 0.000 0.841 396 D CB -0.278 40.509 40.800 -0.022 0.000 0.953 396 D HN 0.293 nan 8.370 nan 0.000 0.478 397 Y N 0.950 121.165 120.300 -0.142 0.000 2.145 397 Y HA -0.230 4.321 4.550 0.000 0.000 0.286 397 Y C 2.087 177.889 175.900 -0.164 0.000 1.145 397 Y CA 1.176 59.202 58.100 -0.123 0.000 1.148 397 Y CB -0.346 38.064 38.460 -0.082 0.000 0.981 397 Y HN -0.172 nan 8.280 nan 0.000 0.507 398 V N 0.592 120.442 119.914 -0.106 0.000 2.287 398 V HA -0.338 3.782 4.120 0.000 0.000 0.248 398 V C 2.138 177.909 176.094 -0.538 0.000 1.053 398 V CA 2.483 64.593 62.300 -0.317 0.000 1.027 398 V CB -0.566 30.711 31.823 -0.910 0.000 0.646 398 V HN 0.337 nan 8.190 nan 0.000 0.447 399 K N -0.592 119.444 120.400 -0.607 0.000 2.217 399 K HA -0.082 4.238 4.320 0.000 0.000 0.202 399 K C 2.135 178.495 176.600 -0.400 0.000 1.051 399 K CA 1.587 57.470 56.287 -0.673 0.000 0.952 399 K CB -0.273 32.004 32.500 -0.373 0.000 0.736 399 K HN 0.484 nan 8.250 nan 0.000 0.453 400 T N 0.477 114.819 114.554 -0.353 0.000 2.781 400 T HA 0.005 4.355 4.350 0.000 0.000 0.252 400 T C 1.700 176.168 174.700 -0.386 0.000 1.039 400 T CA 0.696 62.611 62.100 -0.310 0.000 1.147 400 T CB 0.042 68.733 68.868 -0.294 0.000 0.865 400 T HN 0.071 nan 8.240 nan 0.000 0.423 401 R N 0.420 120.568 120.500 -0.586 0.000 2.189 401 R HA 0.103 4.443 4.340 0.000 0.000 0.218 401 R C 0.762 176.540 176.300 -0.870 0.000 1.074 401 R CA 0.784 56.419 56.100 -0.774 0.000 0.991 401 R CB -0.334 29.302 30.300 -1.107 0.000 0.883 401 R HN 0.440 nan 8.270 nan 0.000 0.457 402 F N 0.076 119.844 119.950 -0.304 0.000 2.708 402 F HA 0.383 4.910 4.527 0.000 0.000 0.300 402 F C 0.788 176.569 175.800 -0.031 0.000 1.118 402 F CA -0.712 57.187 58.000 -0.169 0.000 1.307 402 F CB 0.111 39.003 39.000 -0.180 0.000 0.986 402 F HN -0.183 nan 8.300 nan 0.000 0.522 403 A N 1.415 124.250 122.820 0.024 0.000 2.498 403 A HA 0.370 4.690 4.320 0.000 0.000 0.239 403 A C -2.268 175.392 177.584 0.126 0.000 1.068 403 A CA -1.071 51.050 52.037 0.139 0.000 0.766 403 A CB -0.401 18.618 19.000 0.032 0.000 1.003 403 A HN 0.006 nan 8.150 nan 0.000 0.497 404 P HA 0.188 nan 4.420 nan 0.000 0.271 404 P C -0.814 176.516 177.300 0.049 0.000 1.233 404 P CA 0.138 63.289 63.100 0.086 0.000 0.764 404 P CB 0.441 32.181 31.700 0.067 0.000 0.825 405 K N 2.267 122.687 120.400 0.033 0.000 2.533 405 K HA 0.633 4.953 4.320 0.000 0.000 0.207 405 K C 0.128 176.735 176.600 0.012 0.000 1.052 405 K CA -0.728 55.567 56.287 0.013 0.000 1.030 405 K CB 0.811 33.308 32.500 -0.006 0.000 1.522 405 K HN 0.297 nan 8.250 nan 0.000 0.543 406 A N 0.000 122.827 122.820 0.012 0.000 2.254 406 A HA 0.000 4.320 4.320 0.000 0.000 0.244 406 A CA 0.000 52.041 52.037 0.007 0.000 0.836 406 A CB 0.000 19.004 19.000 0.007 0.000 0.831 406 A HN 0.000 nan 8.150 nan 0.000 0.486