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 1rzp_1_B DATA FIRST_RESID 8 DATA SEQUENCE DISTLPRVKV DLVKPPFVHA HDQVAKTGPR VVEFTMTIEE KKLVIDREGT DATA SEQUENCE EIHAMTFNGS VPGPLMVVHE NDYVELRLIN PDTNTLLHNI DFHAATGALG DATA SEQUENCE GGALTQVNPG EETTLRFKAT KPGVFVYHCA PEGMVPWHVT SGMNGAIMVL DATA SEQUENCE PRDGLKDEKG QPLTYDKIYY VGEQDFYVPK DEAGNYKKYE TPGEAYEDAV DATA SEQUENCE KAMRTLTPTH IVFNGAVGAL TGDHALTAAV GERVLVVHSQ ANRDTRPHLI DATA SEQUENCE GGHGDYVWAT GKFRNPPDLD QETWLIPGGT AGAAFYTFRQ PGVYAYVNHN DATA SEQUENCE LIEAFELGAA GHFKVTGEWN DDLMTSVV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 D HA 0.000 nan 4.640 nan 0.000 0.175 8 D C 0.000 176.224 176.300 -0.127 0.000 2.045 8 D CA 0.000 53.955 54.000 -0.076 0.000 0.868 8 D CB 0.000 40.767 40.800 -0.056 0.000 0.688 9 I N 1.988 122.436 120.570 -0.203 0.000 2.454 9 I HA -0.182 3.989 4.170 0.001 0.000 0.254 9 I C 2.361 178.361 176.117 -0.196 0.000 1.156 9 I CA 1.276 62.391 61.300 -0.310 0.000 1.433 9 I CB -1.661 36.072 38.000 -0.444 0.000 1.082 9 I HN 0.477 nan 8.210 nan 0.000 0.432 10 S N 0.515 116.134 115.700 -0.135 0.000 2.469 10 S HA -0.160 4.311 4.470 0.001 0.000 0.238 10 S C 1.919 176.471 174.600 -0.081 0.000 0.998 10 S CA 1.484 59.626 58.200 -0.096 0.000 0.957 10 S CB -1.018 62.139 63.200 -0.072 0.000 0.764 10 S HN 0.653 nan 8.310 nan 0.000 0.514 11 T N -0.395 114.109 114.554 -0.083 0.000 3.054 11 T HA 0.316 4.667 4.350 0.001 0.000 0.259 11 T C 0.658 175.321 174.700 -0.061 0.000 1.092 11 T CA -0.261 61.802 62.100 -0.061 0.000 1.121 11 T CB -0.583 68.255 68.868 -0.049 0.000 0.912 11 T HN 0.364 nan 8.240 nan 0.000 0.489 12 L N 2.804 123.978 121.223 -0.082 0.000 2.367 12 L HA 0.363 4.704 4.340 0.001 0.000 0.275 12 L C -2.223 174.610 176.870 -0.061 0.000 1.129 12 L CA -2.207 52.593 54.840 -0.067 0.000 0.839 12 L CB 0.414 42.422 42.059 -0.086 0.000 1.133 12 L HN 0.069 nan 8.230 nan 0.000 0.453 13 P HA 0.215 nan 4.420 nan 0.000 0.269 13 P C -0.908 176.362 177.300 -0.050 0.000 1.215 13 P CA -0.222 62.852 63.100 -0.044 0.000 0.780 13 P CB 0.620 32.299 31.700 -0.036 0.000 0.898 14 R N 0.574 121.040 120.500 -0.057 0.000 2.664 14 R HA 0.747 5.088 4.340 0.001 0.000 0.286 14 R C -1.144 175.110 176.300 -0.076 0.000 0.967 14 R CA -1.048 55.010 56.100 -0.070 0.000 0.933 14 R CB 1.991 32.245 30.300 -0.075 0.000 1.146 14 R HN 0.250 nan 8.270 nan 0.000 0.468 15 V N 2.225 122.078 119.914 -0.101 0.000 2.760 15 V HA 0.468 4.589 4.120 0.001 0.000 0.309 15 V C -1.463 174.519 176.094 -0.187 0.000 1.077 15 V CA -0.802 61.427 62.300 -0.117 0.000 0.910 15 V CB 2.052 33.818 31.823 -0.096 0.000 1.008 15 V HN 0.595 nan 8.190 nan 0.000 0.424 16 K N 4.574 124.868 120.400 -0.177 0.000 2.159 16 K HA 0.726 5.046 4.320 0.001 0.000 0.266 16 K C -1.387 175.048 176.600 -0.275 0.000 0.975 16 K CA -0.315 55.836 56.287 -0.228 0.000 0.865 16 K CB 1.735 34.148 32.500 -0.146 0.000 1.087 16 K HN 0.526 nan 8.250 nan 0.000 0.446 17 V N 3.970 123.627 119.914 -0.428 0.000 2.513 17 V HA 0.321 4.442 4.120 0.001 0.000 0.299 17 V C -0.895 175.042 176.094 -0.262 0.000 1.035 17 V CA -0.890 61.142 62.300 -0.446 0.000 0.889 17 V CB 1.870 33.179 31.823 -0.857 0.000 0.988 17 V HN 0.778 nan 8.190 nan 0.000 0.440 18 D N 4.649 124.962 120.400 -0.145 0.000 2.373 18 D HA 0.418 5.059 4.640 0.001 0.000 0.227 18 D C -0.027 176.298 176.300 0.041 0.000 1.091 18 D CA -0.089 53.895 54.000 -0.027 0.000 0.840 18 D CB 1.646 42.449 40.800 0.006 0.000 1.060 18 D HN 0.314 nan 8.370 nan 0.000 0.502 19 L N 1.490 122.777 121.223 0.107 0.000 2.467 19 L HA 0.222 4.563 4.340 0.001 0.000 0.270 19 L C 0.256 177.257 176.870 0.219 0.000 1.205 19 L CA -0.278 54.692 54.840 0.215 0.000 0.828 19 L CB 0.662 42.864 42.059 0.239 0.000 1.101 19 L HN 0.000 nan 8.230 nan 0.000 0.479 20 V N 1.839 121.921 119.914 0.279 0.000 2.715 20 V HA 0.274 4.394 4.120 0.001 0.000 0.310 20 V C 0.038 176.292 176.094 0.267 0.000 1.054 20 V CA -1.033 61.420 62.300 0.255 0.000 0.928 20 V CB 1.818 33.808 31.823 0.279 0.000 1.007 20 V HN 0.622 nan 8.190 nan 0.000 0.437 21 K N 4.195 124.744 120.400 0.249 0.000 2.412 21 K HA 0.258 4.578 4.320 0.001 0.000 0.281 21 K C -2.434 174.318 176.600 0.254 0.000 1.027 21 K CA -1.210 55.217 56.287 0.233 0.000 0.989 21 K CB 0.882 33.502 32.500 0.201 0.000 0.935 21 K HN 0.353 nan 8.250 nan 0.000 0.475 22 P HA -0.026 nan 4.420 nan 0.000 0.269 22 P C -2.198 175.091 177.300 -0.019 0.000 1.217 22 P CA -0.973 62.193 63.100 0.110 0.000 0.783 22 P CB 0.296 32.020 31.700 0.041 0.000 0.898 23 P HA 0.002 nan 4.420 nan 0.000 0.245 23 P C -0.217 177.037 177.300 -0.077 0.000 1.212 23 P CA 0.579 63.542 63.100 -0.228 0.000 0.774 23 P CB 0.095 31.539 31.700 -0.426 0.000 0.999 24 F N 0.228 120.305 119.950 0.213 0.000 2.406 24 F HA 0.224 4.751 4.527 0.001 0.000 0.327 24 F C 1.128 177.028 175.800 0.167 0.000 1.153 24 F CA -0.510 57.603 58.000 0.188 0.000 1.218 24 F CB 0.347 39.437 39.000 0.150 0.000 1.215 24 F HN -0.345 nan 8.300 nan 0.000 0.570 25 V N 0.353 120.461 119.914 0.325 0.000 2.735 25 V HA 0.258 4.379 4.120 0.001 0.000 0.310 25 V C -0.609 175.605 176.094 0.199 0.000 1.061 25 V CA -1.193 61.228 62.300 0.200 0.000 0.913 25 V CB 1.619 33.504 31.823 0.103 0.000 1.005 25 V HN 0.825 nan 8.190 nan 0.000 0.428 26 H N 2.381 121.600 119.070 0.248 0.000 2.871 26 H HA 0.584 5.140 4.556 0.001 0.000 0.355 26 H C 0.294 175.800 175.328 0.296 0.000 1.092 26 H CA 0.347 56.532 56.048 0.229 0.000 1.420 26 H CB 0.390 30.282 29.762 0.216 0.000 1.400 26 H HN 0.928 nan 8.280 nan 0.000 0.604 27 A N 3.695 126.717 122.820 0.337 0.000 2.507 27 A HA 0.351 4.671 4.320 0.001 0.000 0.235 27 A C 0.023 177.814 177.584 0.344 0.000 1.070 27 A CA 0.513 52.667 52.037 0.196 0.000 0.768 27 A CB -0.311 18.750 19.000 0.101 0.000 1.011 27 A HN 1.109 nan 8.150 nan 0.000 0.502 28 H N -0.746 118.411 119.070 0.145 0.000 2.917 28 H HA 0.397 4.953 4.556 0.001 0.000 0.299 28 H C -2.025 173.377 175.328 0.124 0.000 1.418 28 H CA -0.995 55.154 56.048 0.168 0.000 1.138 28 H CB 0.457 30.323 29.762 0.172 0.000 1.830 28 H HN 0.526 nan 8.280 nan 0.000 0.514 29 D N 0.986 121.540 120.400 0.257 0.000 2.168 29 D HA 0.157 4.797 4.640 0.001 0.000 0.246 29 D C 0.855 177.340 176.300 0.308 0.000 1.050 29 D CA -0.438 53.645 54.000 0.138 0.000 0.857 29 D CB 2.848 43.691 40.800 0.071 0.000 1.169 29 D HN 0.501 nan 8.370 nan 0.000 0.453 30 Q N 0.258 120.131 119.800 0.122 0.000 2.020 30 Q HA 0.013 4.354 4.340 0.001 0.000 0.198 30 Q C 0.391 176.522 176.000 0.218 0.000 0.974 30 Q CA 0.766 56.649 55.803 0.132 0.000 0.829 30 Q CB 0.300 28.930 28.738 -0.180 0.000 0.894 30 Q HN 0.266 nan 8.270 nan 0.000 0.433 31 V N 1.739 121.690 119.914 0.061 0.000 2.406 31 V HA 0.298 4.419 4.120 0.001 0.000 0.272 31 V C -0.081 175.961 176.094 -0.088 0.000 1.043 31 V CA -0.683 61.620 62.300 0.005 0.000 0.915 31 V CB 0.853 32.652 31.823 -0.039 0.000 0.988 31 V HN 0.254 nan 8.190 nan 0.000 0.466 32 A N 5.037 127.700 122.820 -0.261 0.000 2.540 32 A HA 0.212 4.533 4.320 0.001 0.000 0.239 32 A C 1.062 178.525 177.584 -0.201 0.000 1.061 32 A CA 0.131 51.899 52.037 -0.447 0.000 0.758 32 A CB 0.051 18.738 19.000 -0.521 0.000 0.991 32 A HN 0.926 nan 8.150 nan 0.000 0.502 33 K N 0.413 120.717 120.400 -0.160 0.000 2.367 33 K HA 0.087 4.407 4.320 0.001 0.000 0.194 33 K C 0.430 176.983 176.600 -0.078 0.000 1.027 33 K CA 1.051 57.283 56.287 -0.093 0.000 1.075 33 K CB 0.245 32.705 32.500 -0.066 0.000 0.845 33 K HN 0.937 nan 8.250 nan 0.000 0.529 34 T N -3.421 111.077 114.554 -0.092 0.000 2.778 34 T HA 0.520 4.870 4.350 0.001 0.000 0.293 34 T C 0.473 175.134 174.700 -0.064 0.000 1.144 34 T CA -0.882 61.179 62.100 -0.064 0.000 1.010 34 T CB 1.513 70.352 68.868 -0.050 0.000 1.325 34 T HN 0.026 nan 8.240 nan 0.000 0.515 35 G N 0.301 109.078 108.800 -0.038 0.000 2.588 35 G HA2 0.570 4.531 3.960 0.001 0.000 0.278 35 G HA3 0.570 4.531 3.960 0.001 0.000 0.278 35 G C -2.528 172.366 174.900 -0.011 0.000 1.307 35 G CA -1.405 43.681 45.100 -0.023 0.000 1.016 35 G HN 0.710 nan 8.290 nan 0.000 0.503 36 P HA 0.088 nan 4.420 nan 0.000 0.266 36 P C -0.213 177.118 177.300 0.052 0.000 1.186 36 P CA 0.533 63.662 63.100 0.049 0.000 0.767 36 P CB 0.414 32.168 31.700 0.090 0.000 0.820 37 R N 1.043 121.583 120.500 0.067 0.000 2.774 37 R HA 0.508 4.849 4.340 0.001 0.000 0.272 37 R C -1.392 174.948 176.300 0.067 0.000 1.000 37 R CA -1.056 55.069 56.100 0.041 0.000 0.906 37 R CB 1.543 31.848 30.300 0.008 0.000 1.227 37 R HN 0.137 nan 8.270 nan 0.000 0.468 38 V N 2.458 122.379 119.914 0.012 0.000 2.348 38 V HA 0.222 4.342 4.120 0.001 0.000 0.270 38 V C -0.013 176.047 176.094 -0.057 0.000 1.037 38 V CA -0.618 61.681 62.300 -0.003 0.000 0.872 38 V CB 1.431 33.215 31.823 -0.065 0.000 1.002 38 V HN 0.363 nan 8.190 nan 0.000 0.464 39 V N 5.563 125.437 119.914 -0.067 0.000 2.364 39 V HA 0.315 4.436 4.120 0.001 0.000 0.272 39 V C 0.316 176.242 176.094 -0.280 0.000 1.036 39 V CA -0.683 61.502 62.300 -0.192 0.000 0.880 39 V CB 1.058 32.794 31.823 -0.144 0.000 0.991 39 V HN 0.865 nan 8.190 nan 0.000 0.460 40 E N 4.707 124.688 120.200 -0.365 0.000 2.200 40 E HA 0.546 4.897 4.350 0.001 0.000 0.283 40 E C -1.300 175.017 176.600 -0.471 0.000 1.015 40 E CA -0.151 56.080 56.400 -0.281 0.000 0.819 40 E CB 1.238 30.832 29.700 -0.177 0.000 1.081 40 E HN 0.520 nan 8.360 nan 0.000 0.397 41 F N 0.549 120.450 119.950 -0.082 0.000 2.577 41 F HA 0.438 4.965 4.527 0.001 0.000 0.318 41 F C 0.179 175.958 175.800 -0.035 0.000 1.065 41 F CA -0.645 57.314 58.000 -0.068 0.000 0.929 41 F CB 2.498 41.454 39.000 -0.073 0.000 1.237 41 F HN 0.148 nan 8.300 nan 0.000 0.468 42 T N 3.388 118.054 114.554 0.188 0.000 2.991 42 T HA 0.613 4.964 4.350 0.001 0.000 0.303 42 T C -0.760 174.015 174.700 0.125 0.000 1.015 42 T CA -0.639 61.533 62.100 0.120 0.000 1.007 42 T CB 1.231 70.142 68.868 0.072 0.000 1.034 42 T HN 0.396 nan 8.240 nan 0.000 0.446 43 M N 2.198 121.867 119.600 0.115 0.000 2.457 43 M HA 0.451 4.931 4.480 0.001 0.000 0.300 43 M C -0.761 175.619 176.300 0.133 0.000 1.141 43 M CA -0.741 54.638 55.300 0.132 0.000 0.901 43 M CB 2.716 35.395 32.600 0.132 0.000 1.687 43 M HN 0.440 nan 8.290 nan 0.000 0.449 44 T N 3.405 118.033 114.554 0.124 0.000 2.779 44 T HA 0.568 4.919 4.350 0.001 0.000 0.280 44 T C 0.008 174.750 174.700 0.071 0.000 0.987 44 T CA -0.511 61.643 62.100 0.090 0.000 0.966 44 T CB 0.827 69.735 68.868 0.066 0.000 0.933 44 T HN 0.445 nan 8.240 nan 0.000 0.442 45 I N 3.008 123.593 120.570 0.024 0.000 2.588 45 I HA 0.219 4.390 4.170 0.001 0.000 0.283 45 I C 0.742 176.794 176.117 -0.108 0.000 1.119 45 I CA 0.149 61.380 61.300 -0.115 0.000 1.419 45 I CB 0.531 38.391 38.000 -0.234 0.000 1.394 45 I HN 0.601 nan 8.210 nan 0.000 0.562 46 E N 6.325 126.435 120.200 -0.149 0.000 2.281 46 E HA 0.275 4.626 4.350 0.001 0.000 0.266 46 E C -1.251 175.278 176.600 -0.117 0.000 0.893 46 E CA -0.620 55.726 56.400 -0.091 0.000 0.798 46 E CB 1.192 30.870 29.700 -0.036 0.000 1.245 46 E HN 0.537 nan 8.360 nan 0.000 0.410 47 E N 4.350 124.500 120.200 -0.084 0.000 2.229 47 E HA 0.257 4.608 4.350 0.001 0.000 0.283 47 E C -0.627 175.964 176.600 -0.016 0.000 1.030 47 E CA -0.169 56.194 56.400 -0.062 0.000 0.836 47 E CB 1.135 30.828 29.700 -0.013 0.000 1.068 47 E HN 0.384 nan 8.360 nan 0.000 0.401 48 K N 1.667 122.054 120.400 -0.021 0.000 2.568 48 K HA 0.392 4.713 4.320 0.001 0.000 0.273 48 K C -1.052 175.508 176.600 -0.067 0.000 0.951 48 K CA -1.070 55.206 56.287 -0.020 0.000 0.854 48 K CB 1.456 33.936 32.500 -0.033 0.000 1.424 48 K HN 0.085 nan 8.250 nan 0.000 0.427 49 K N 1.119 121.454 120.400 -0.108 0.000 2.326 49 K HA 0.303 4.624 4.320 0.001 0.000 0.275 49 K C -0.767 175.731 176.600 -0.170 0.000 1.018 49 K CA -0.562 55.592 56.287 -0.222 0.000 0.962 49 K CB 0.456 32.819 32.500 -0.229 0.000 0.953 49 K HN 0.454 nan 8.250 nan 0.000 0.475 50 L N 2.468 123.565 121.223 -0.211 0.000 2.464 50 L HA 0.282 4.622 4.340 0.001 0.000 0.266 50 L C -1.340 175.395 176.870 -0.224 0.000 0.965 50 L CA -0.697 54.032 54.840 -0.185 0.000 0.833 50 L CB 2.126 44.081 42.059 -0.173 0.000 1.296 50 L HN 0.319 nan 8.230 nan 0.000 0.405 51 V N 6.233 126.042 119.914 -0.175 0.000 2.432 51 V HA 0.220 4.341 4.120 0.001 0.000 0.271 51 V C 1.227 177.207 176.094 -0.191 0.000 1.046 51 V CA 0.196 62.390 62.300 -0.178 0.000 0.945 51 V CB 1.061 32.812 31.823 -0.120 0.000 0.992 51 V HN 0.800 nan 8.190 nan 0.000 0.471 52 I N 0.597 121.009 120.570 -0.263 0.000 4.057 52 I HA 0.409 4.580 4.170 0.001 0.000 0.334 52 I C 0.198 176.231 176.117 -0.139 0.000 1.308 52 I CA -0.105 61.048 61.300 -0.245 0.000 1.125 52 I CB 0.518 38.231 38.000 -0.477 0.000 1.034 52 I HN 0.658 nan 8.210 nan 0.000 0.401 53 D N -0.187 120.150 120.400 -0.105 0.000 2.610 53 D HA 0.307 4.947 4.640 0.001 0.000 0.271 53 D C 0.418 176.710 176.300 -0.013 0.000 1.174 53 D CA -0.928 53.069 54.000 -0.004 0.000 0.949 53 D CB 0.849 41.719 40.800 0.117 0.000 1.430 53 D HN -0.145 nan 8.370 nan 0.000 0.467 54 R N -0.740 119.763 120.500 0.005 0.000 2.316 54 R HA 0.023 4.363 4.340 0.001 0.000 0.202 54 R C 0.179 176.484 176.300 0.009 0.000 1.029 54 R CA 0.776 56.876 56.100 -0.001 0.000 1.018 54 R CB -0.020 30.282 30.300 0.002 0.000 0.888 54 R HN 0.441 nan 8.270 nan 0.000 0.471 55 E N -0.617 119.600 120.200 0.027 0.000 2.474 55 E HA 0.117 4.468 4.350 0.001 0.000 0.195 55 E C 0.888 177.502 176.600 0.023 0.000 1.039 55 E CA 0.413 56.836 56.400 0.038 0.000 0.881 55 E CB 0.846 30.595 29.700 0.081 0.000 0.970 55 E HN 0.399 nan 8.360 nan 0.000 0.486 56 G N 0.590 109.385 108.800 -0.007 0.000 2.159 56 G HA2 -0.294 3.666 3.960 0.001 0.000 0.256 56 G HA3 -0.294 3.666 3.960 0.001 0.000 0.256 56 G C 0.427 175.293 174.900 -0.057 0.000 0.977 56 G CA 0.354 45.434 45.100 -0.033 0.000 0.652 56 G HN 0.267 nan 8.290 nan 0.000 0.531 57 T N 1.490 116.004 114.554 -0.067 0.000 2.871 57 T HA 0.389 4.740 4.350 0.001 0.000 0.296 57 T C 0.397 174.959 174.700 -0.231 0.000 0.998 57 T CA 0.690 62.705 62.100 -0.143 0.000 1.162 57 T CB 1.119 69.825 68.868 -0.270 0.000 0.947 57 T HN 0.476 nan 8.240 nan 0.000 0.536 58 E N 1.884 121.961 120.200 -0.206 0.000 2.235 58 E HA 0.728 5.078 4.350 0.001 0.000 0.265 58 E C -0.079 176.358 176.600 -0.272 0.000 0.940 58 E CA -0.873 55.383 56.400 -0.240 0.000 0.819 58 E CB 1.886 31.471 29.700 -0.191 0.000 1.206 58 E HN 0.657 nan 8.360 nan 0.000 0.409 59 I N -2.494 117.881 120.570 -0.324 0.000 3.102 59 I HA 0.389 4.559 4.170 0.001 0.000 0.310 59 I C -0.800 175.136 176.117 -0.302 0.000 1.246 59 I CA -1.003 60.126 61.300 -0.285 0.000 0.979 59 I CB 2.313 40.056 38.000 -0.429 0.000 1.267 59 I HN 0.404 nan 8.210 nan 0.000 0.451 60 H N 3.239 122.249 119.070 -0.101 0.000 2.872 60 H HA 0.537 5.093 4.556 0.001 0.000 0.273 60 H C -0.065 175.165 175.328 -0.164 0.000 1.205 60 H CA -0.199 55.792 56.048 -0.095 0.000 1.342 60 H CB 1.224 30.961 29.762 -0.040 0.000 1.469 60 H HN 0.776 nan 8.280 nan 0.000 0.487 61 A N 4.350 127.107 122.820 -0.104 0.000 2.340 61 A HA 0.448 4.769 4.320 0.001 0.000 0.268 61 A C 0.343 177.847 177.584 -0.133 0.000 1.100 61 A CA -0.459 51.507 52.037 -0.118 0.000 0.803 61 A CB 0.452 19.392 19.000 -0.100 0.000 1.043 61 A HN 0.708 nan 8.150 nan 0.000 0.488 62 M N 2.856 122.346 119.600 -0.183 0.000 2.078 62 M HA 0.328 4.809 4.480 0.001 0.000 0.320 62 M C -0.003 176.135 176.300 -0.270 0.000 0.969 62 M CA -0.228 54.911 55.300 -0.269 0.000 0.929 62 M CB 1.641 34.024 32.600 -0.361 0.000 1.504 62 M HN 0.859 nan 8.290 nan 0.000 0.419 63 T N -0.560 113.829 114.554 -0.276 0.000 2.924 63 T HA 0.709 5.060 4.350 0.001 0.000 0.291 63 T C -0.796 173.731 174.700 -0.288 0.000 1.045 63 T CA -0.643 61.331 62.100 -0.211 0.000 1.015 63 T CB 1.374 70.208 68.868 -0.057 0.000 1.103 63 T HN 0.275 nan 8.240 nan 0.000 0.496 64 F N 2.158 122.123 119.950 0.025 0.000 2.361 64 F HA 0.470 4.998 4.527 0.001 0.000 0.364 64 F C 1.043 176.885 175.800 0.070 0.000 1.120 64 F CA -0.641 57.391 58.000 0.053 0.000 1.102 64 F CB 0.565 39.656 39.000 0.153 0.000 1.183 64 F HN 0.764 nan 8.300 nan 0.000 0.476 65 N N 2.270 121.096 118.700 0.209 0.000 2.782 65 N HA -0.197 4.543 4.740 0.001 0.000 0.251 65 N C 1.052 176.629 175.510 0.111 0.000 1.101 65 N CA 1.316 54.459 53.050 0.155 0.000 0.764 65 N CB -1.127 37.473 38.487 0.187 0.000 1.122 65 N HN 1.073 nan 8.380 nan 0.000 0.561 66 G N -2.376 106.467 108.800 0.072 0.000 2.179 66 G HA2 -0.277 3.684 3.960 0.001 0.000 0.260 66 G HA3 -0.277 3.684 3.960 0.001 0.000 0.260 66 G C 0.059 174.990 174.900 0.051 0.000 0.977 66 G CA 1.199 46.325 45.100 0.044 0.000 0.641 66 G HN 1.505 nan 8.290 nan 0.000 0.533 67 S N -1.555 114.195 115.700 0.084 0.000 2.638 67 S HA 0.831 5.302 4.470 0.001 0.000 0.302 67 S C -0.742 173.908 174.600 0.083 0.000 1.096 67 S CA -0.481 57.766 58.200 0.079 0.000 0.953 67 S CB 3.154 66.416 63.200 0.103 0.000 1.107 67 S HN 1.041 nan 8.310 nan 0.000 0.503 68 V N 3.154 123.102 119.914 0.057 0.000 2.409 68 V HA 0.517 4.638 4.120 0.001 0.000 0.290 68 V C -2.176 173.914 176.094 -0.007 0.000 1.017 68 V CA -1.639 60.691 62.300 0.050 0.000 0.841 68 V CB 1.522 33.395 31.823 0.084 0.000 1.003 68 V HN 0.868 nan 8.190 nan 0.000 0.426 69 P HA 0.269 nan 4.420 nan 0.000 0.279 69 P C 0.314 177.700 177.300 0.145 0.000 1.282 69 P CA -0.048 63.069 63.100 0.028 0.000 0.788 69 P CB 1.070 32.743 31.700 -0.046 0.000 1.139 70 G N 0.123 109.057 108.800 0.224 0.000 2.636 70 G HA2 0.314 4.274 3.960 0.001 0.000 0.246 70 G HA3 0.314 4.274 3.960 0.001 0.000 0.246 70 G C -2.250 172.851 174.900 0.334 0.000 1.216 70 G CA -1.042 44.263 45.100 0.340 0.000 0.854 70 G HN 0.427 nan 8.290 nan 0.000 0.572 71 P HA 0.098 nan 4.420 nan 0.000 0.272 71 P C -0.441 177.005 177.300 0.243 0.000 1.223 71 P CA -0.489 62.796 63.100 0.307 0.000 0.784 71 P CB 1.189 33.053 31.700 0.274 0.000 0.923 72 L N 3.118 124.422 121.223 0.135 0.000 2.319 72 L HA 0.293 4.634 4.340 0.001 0.000 0.280 72 L C 0.106 177.019 176.870 0.071 0.000 1.099 72 L CA 0.057 54.831 54.840 -0.112 0.000 0.828 72 L CB -0.098 41.776 42.059 -0.309 0.000 1.150 72 L HN 0.302 nan 8.230 nan 0.000 0.442 73 M N 5.120 124.736 119.600 0.026 0.000 2.264 73 M HA 0.516 4.997 4.480 0.001 0.000 0.352 73 M C -0.947 175.393 176.300 0.066 0.000 1.173 73 M CA -0.583 54.718 55.300 0.002 0.000 1.075 73 M CB 1.765 34.040 32.600 -0.542 0.000 1.621 73 M HN 0.312 nan 8.290 nan 0.000 0.457 74 V N 4.049 124.190 119.914 0.378 0.000 2.483 74 V HA 0.740 4.860 4.120 0.001 0.000 0.297 74 V C -0.332 175.890 176.094 0.213 0.000 1.027 74 V CA -0.693 61.639 62.300 0.054 0.000 0.855 74 V CB 1.663 33.214 31.823 -0.454 0.000 0.995 74 V HN 0.786 nan 8.190 nan 0.000 0.424 75 V N 1.921 121.861 119.914 0.044 0.000 3.103 75 V HA 0.756 4.876 4.120 0.001 0.000 0.311 75 V C -1.152 174.869 176.094 -0.122 0.000 1.322 75 V CA -0.861 61.485 62.300 0.076 0.000 1.063 75 V CB 2.349 34.233 31.823 0.102 0.000 1.090 75 V HN 0.817 nan 8.190 nan 0.000 0.462 76 H N -0.558 118.540 119.070 0.047 0.000 2.670 76 H HA 0.575 5.132 4.556 0.001 0.000 0.361 76 H C -0.349 174.987 175.328 0.013 0.000 1.169 76 H CA -0.273 55.798 56.048 0.039 0.000 1.198 76 H CB 1.475 31.257 29.762 0.034 0.000 1.700 76 H HN 0.937 nan 8.280 nan 0.000 0.542 77 E N 1.435 121.717 120.200 0.138 0.000 2.608 77 E HA -0.189 4.161 4.350 0.001 0.000 0.259 77 E C -0.127 176.487 176.600 0.024 0.000 0.951 77 E CA 0.394 56.834 56.400 0.068 0.000 0.945 77 E CB 0.085 29.834 29.700 0.082 0.000 0.916 77 E HN 0.653 nan 8.360 nan 0.000 0.477 78 N N 2.187 120.853 118.700 -0.056 0.000 2.948 78 N HA -0.167 4.573 4.740 0.001 0.000 0.239 78 N C -1.000 174.404 175.510 -0.177 0.000 0.954 78 N CA 1.169 54.141 53.050 -0.130 0.000 0.941 78 N CB -0.881 37.573 38.487 -0.056 0.000 1.101 78 N HN 0.519 nan 8.380 nan 0.000 0.579 79 D N -0.371 119.960 120.400 -0.116 0.000 2.383 79 D HA 0.273 4.914 4.640 0.001 0.000 0.248 79 D C 0.260 176.415 176.300 -0.241 0.000 1.170 79 D CA 0.263 54.229 54.000 -0.056 0.000 0.977 79 D CB 0.305 41.114 40.800 0.015 0.000 1.120 79 D HN 0.018 nan 8.370 nan 0.000 0.481 80 Y N -0.367 119.852 120.300 -0.135 0.000 2.335 80 Y HA 0.325 4.875 4.550 0.001 0.000 0.338 80 Y C 0.118 175.830 175.900 -0.314 0.000 0.977 80 Y CA -0.797 57.167 58.100 -0.227 0.000 1.114 80 Y CB 1.529 39.894 38.460 -0.158 0.000 1.182 80 Y HN -0.086 nan 8.280 nan 0.000 0.463 81 V N 3.810 123.409 119.914 -0.525 0.000 2.364 81 V HA 0.229 4.350 4.120 0.001 0.000 0.272 81 V C -0.241 175.598 176.094 -0.425 0.000 1.036 81 V CA -0.713 61.240 62.300 -0.579 0.000 0.880 81 V CB 1.171 32.233 31.823 -1.269 0.000 0.991 81 V HN 0.731 nan 8.190 nan 0.000 0.460 82 E N 4.618 124.744 120.200 -0.124 0.000 2.145 82 E HA 0.524 4.875 4.350 0.001 0.000 0.262 82 E C -1.441 175.183 176.600 0.041 0.000 0.883 82 E CA -0.728 55.638 56.400 -0.057 0.000 0.748 82 E CB 1.588 31.263 29.700 -0.042 0.000 1.140 82 E HN 0.585 nan 8.360 nan 0.000 0.417 83 L N 4.554 125.800 121.223 0.039 0.000 2.313 83 L HA 0.471 4.812 4.340 0.001 0.000 0.283 83 L C -0.881 176.043 176.870 0.091 0.000 1.013 83 L CA -0.486 54.415 54.840 0.101 0.000 0.816 83 L CB 1.409 43.532 42.059 0.106 0.000 1.236 83 L HN 0.485 nan 8.230 nan 0.000 0.419 84 R N 4.957 125.511 120.500 0.090 0.000 2.198 84 R HA 0.478 4.818 4.340 0.001 0.000 0.339 84 R C -1.584 174.769 176.300 0.089 0.000 1.020 84 R CA -0.718 55.427 56.100 0.075 0.000 0.864 84 R CB 0.819 31.154 30.300 0.057 0.000 1.105 84 R HN 0.692 nan 8.270 nan 0.000 0.463 85 L N 6.988 128.268 121.223 0.095 0.000 2.265 85 L HA 0.467 4.807 4.340 0.001 0.000 0.289 85 L C -0.993 175.937 176.870 0.101 0.000 1.033 85 L CA -0.304 54.604 54.840 0.113 0.000 0.814 85 L CB 1.291 43.431 42.059 0.135 0.000 1.203 85 L HN 0.596 nan 8.230 nan 0.000 0.423 86 I N 4.734 125.363 120.570 0.098 0.000 2.377 86 I HA 0.372 4.542 4.170 0.001 0.000 0.293 86 I C -0.298 175.864 176.117 0.076 0.000 0.987 86 I CA -0.522 60.825 61.300 0.079 0.000 1.185 86 I CB 1.549 39.588 38.000 0.065 0.000 1.341 86 I HN 0.553 nan 8.210 nan 0.000 0.455 87 N N 8.189 126.935 118.700 0.076 0.000 2.696 87 N HA 0.407 5.148 4.740 0.001 0.000 0.246 87 N C -2.767 172.783 175.510 0.067 0.000 1.057 87 N CA -2.203 50.896 53.050 0.082 0.000 0.867 87 N CB 1.123 39.686 38.487 0.126 0.000 1.141 87 N HN 0.131 nan 8.380 nan 0.000 0.517 88 P HA 0.033 nan 4.420 nan 0.000 0.267 88 P C 0.146 177.473 177.300 0.045 0.000 1.200 88 P CA -0.016 63.110 63.100 0.043 0.000 0.772 88 P CB 0.613 32.333 31.700 0.034 0.000 0.855 89 D N -0.374 120.048 120.400 0.038 0.000 2.392 89 D HA -0.136 4.504 4.640 0.001 0.000 0.228 89 D C 0.980 177.300 176.300 0.033 0.000 1.003 89 D CA 1.061 55.082 54.000 0.035 0.000 0.917 89 D CB -1.070 39.747 40.800 0.028 0.000 0.890 89 D HN 0.342 nan 8.370 nan 0.000 0.532 90 T N -3.763 110.811 114.554 0.033 0.000 3.088 90 T HA -0.006 4.345 4.350 0.001 0.000 0.259 90 T C 0.868 175.589 174.700 0.036 0.000 1.122 90 T CA -0.263 61.856 62.100 0.031 0.000 1.095 90 T CB -0.195 68.689 68.868 0.027 0.000 0.930 90 T HN -0.021 nan 8.240 nan 0.000 0.508 91 N N 1.872 120.599 118.700 0.045 0.000 2.434 91 N HA 0.312 5.053 4.740 0.001 0.000 0.266 91 N C 1.274 176.818 175.510 0.057 0.000 1.223 91 N CA 0.406 53.493 53.050 0.061 0.000 0.972 91 N CB 1.541 40.087 38.487 0.098 0.000 1.207 91 N HN 0.446 nan 8.380 nan 0.000 0.525 92 T N -3.083 111.505 114.554 0.057 0.000 2.959 92 T HA 0.350 4.701 4.350 0.001 0.000 0.254 92 T C 0.681 175.388 174.700 0.012 0.000 1.003 92 T CA 0.015 62.134 62.100 0.031 0.000 0.950 92 T CB 0.058 68.937 68.868 0.019 0.000 1.090 92 T HN 0.206 nan 8.240 nan 0.000 0.503 93 L N 1.225 122.445 121.223 -0.006 0.000 2.313 93 L HA 0.688 5.028 4.340 0.001 0.000 0.268 93 L C -0.422 176.268 176.870 -0.300 0.000 1.010 93 L CA -1.596 53.162 54.840 -0.137 0.000 0.814 93 L CB 1.893 43.828 42.059 -0.208 0.000 1.304 93 L HN 0.122 nan 8.230 nan 0.000 0.441 94 L N 0.657 121.716 121.223 -0.274 0.000 2.395 94 L HA 0.422 4.762 4.340 0.001 0.000 0.269 94 L C -0.647 175.953 176.870 -0.450 0.000 1.133 94 L CA 0.231 54.936 54.840 -0.225 0.000 0.812 94 L CB 0.349 42.343 42.059 -0.108 0.000 1.125 94 L HN 0.461 nan 8.230 nan 0.000 0.452 95 H N 2.613 121.705 119.070 0.038 0.000 2.960 95 H HA 0.603 5.159 4.556 0.001 0.000 0.338 95 H C -1.024 174.324 175.328 0.032 0.000 1.261 95 H CA -0.766 55.297 56.048 0.024 0.000 1.136 95 H CB 1.967 31.746 29.762 0.029 0.000 1.875 95 H HN 0.810 nan 8.280 nan 0.000 0.550 96 N N 0.165 118.988 118.700 0.204 0.000 3.449 96 N HA 0.341 5.081 4.740 0.001 0.000 0.312 96 N C -1.617 174.015 175.510 0.202 0.000 1.557 96 N CA -0.662 52.482 53.050 0.157 0.000 0.864 96 N CB 1.786 40.321 38.487 0.080 0.000 1.799 96 N HN 0.632 nan 8.380 nan 0.000 0.554 97 I N -0.703 119.927 120.570 0.101 0.000 2.752 97 I HA 0.385 4.555 4.170 0.001 0.000 0.295 97 I C -1.830 174.195 176.117 -0.152 0.000 1.219 97 I CA -0.494 60.791 61.300 -0.025 0.000 1.030 97 I CB 1.999 39.876 38.000 -0.205 0.000 1.259 97 I HN 0.598 nan 8.210 nan 0.000 0.423 98 D N 6.923 127.131 120.400 -0.319 0.000 2.440 98 D HA 0.316 4.957 4.640 0.001 0.000 0.239 98 D C -1.579 174.466 176.300 -0.426 0.000 1.084 98 D CA -0.099 53.707 54.000 -0.324 0.000 0.843 98 D CB 0.900 41.438 40.800 -0.436 0.000 1.097 98 D HN 0.188 nan 8.370 nan 0.000 0.531 99 F N 2.820 122.630 119.950 -0.235 0.000 2.391 99 F HA 0.257 4.785 4.527 0.001 0.000 0.359 99 F C 1.844 177.543 175.800 -0.168 0.000 1.122 99 F CA -0.462 57.377 58.000 -0.267 0.000 1.120 99 F CB 1.149 39.807 39.000 -0.569 0.000 1.142 99 F HN 0.509 nan 8.300 nan 0.000 0.483 100 H N 1.908 120.987 119.070 0.015 0.000 2.545 100 H HA -0.037 4.520 4.556 0.001 0.000 0.282 100 H C 1.767 177.049 175.328 -0.077 0.000 1.020 100 H CA 0.554 56.638 56.048 0.060 0.000 1.243 100 H CB 0.525 30.429 29.762 0.236 0.000 1.377 100 H HN 0.729 nan 8.280 nan 0.000 0.581 101 A N 0.932 123.585 122.820 -0.277 0.000 2.123 101 A HA 0.325 4.645 4.320 0.001 0.000 0.214 101 A C 1.357 178.539 177.584 -0.670 0.000 1.152 101 A CA 0.390 51.824 52.037 -1.005 0.000 0.728 101 A CB 0.067 18.487 19.000 -0.967 0.000 0.814 101 A HN 0.298 nan 8.150 nan 0.000 0.464 102 A N -0.671 121.718 122.820 -0.717 0.000 2.264 102 A HA 0.610 4.930 4.320 0.001 0.000 0.304 102 A C -0.015 177.368 177.584 -0.334 0.000 1.100 102 A CA -0.134 51.431 52.037 -0.788 0.000 0.839 102 A CB 0.365 18.577 19.000 -1.312 0.000 1.121 102 A HN 0.148 nan 8.150 nan 0.000 0.496 103 T N 0.680 115.109 114.554 -0.209 0.000 2.791 103 T HA 0.668 5.018 4.350 0.001 0.000 0.288 103 T C 0.061 174.722 174.700 -0.065 0.000 0.999 103 T CA 0.583 62.622 62.100 -0.102 0.000 0.952 103 T CB 0.832 69.667 68.868 -0.056 0.000 0.938 103 T HN 2.143 nan 8.240 nan 0.000 0.444 104 G N 1.996 110.765 108.800 -0.052 0.000 2.539 104 G HA2 0.424 4.385 3.960 0.001 0.000 0.686 104 G HA3 0.424 4.385 3.960 0.001 0.000 0.686 104 G C 0.105 174.992 174.900 -0.022 0.000 1.258 104 G CA -0.349 44.736 45.100 -0.025 0.000 0.846 104 G HN 1.721 nan 8.290 nan 0.000 0.647 105 A N -0.141 122.676 122.820 -0.005 0.000 2.415 105 A HA 0.107 4.428 4.320 0.001 0.000 0.292 105 A C 1.437 179.021 177.584 -0.000 0.000 1.452 105 A CA 1.646 53.685 52.037 0.003 0.000 0.750 105 A CB -1.814 17.194 19.000 0.013 0.000 1.099 105 A HN 2.529 nan 8.150 nan 0.000 0.391 106 L N -3.133 118.088 121.223 -0.003 0.000 3.660 106 L HA -0.281 4.059 4.340 0.001 0.000 0.440 106 L C 1.648 178.512 176.870 -0.011 0.000 1.262 106 L CA 0.841 55.681 54.840 0.001 0.000 0.837 106 L CB -1.970 40.098 42.059 0.015 0.000 1.689 106 L HN 2.347 nan 8.230 nan 0.000 0.890 107 G N -1.492 107.288 108.800 -0.034 0.000 2.175 107 G HA2 -0.029 3.931 3.960 0.001 0.000 0.265 107 G HA3 -0.029 3.931 3.960 0.001 0.000 0.265 107 G C 1.154 176.025 174.900 -0.048 0.000 0.979 107 G CA 0.799 45.862 45.100 -0.061 0.000 0.663 107 G HN 1.881 nan 8.290 nan 0.000 0.533 108 G N -1.917 106.874 108.800 -0.015 0.000 2.231 108 G HA2 0.128 4.089 3.960 0.001 0.000 0.206 108 G HA3 0.128 4.089 3.960 0.001 0.000 0.206 108 G C 1.929 176.851 174.900 0.038 0.000 0.996 108 G CA 1.044 46.164 45.100 0.033 0.000 0.645 108 G HN 1.826 nan 8.290 nan 0.000 0.498 109 G N 1.029 109.837 108.800 0.013 0.000 2.442 109 G HA2 0.189 4.150 3.960 0.001 0.000 0.219 109 G HA3 0.189 4.150 3.960 0.001 0.000 0.219 109 G C 1.822 176.739 174.900 0.028 0.000 1.141 109 G CA 2.337 47.448 45.100 0.019 0.000 0.763 109 G HN 1.619 nan 8.290 nan 0.000 0.554 110 A N -0.404 122.431 122.820 0.024 0.000 2.235 110 A HA 0.443 4.763 4.320 0.001 0.000 0.208 110 A C 1.992 179.594 177.584 0.029 0.000 1.172 110 A CA 0.510 52.561 52.037 0.024 0.000 0.786 110 A CB -0.093 18.918 19.000 0.019 0.000 0.804 110 A HN 0.375 nan 8.150 nan 0.000 0.479 111 L N -1.428 119.818 121.223 0.039 0.000 2.781 111 L HA 0.089 4.430 4.340 0.001 0.000 0.245 111 L C 1.560 178.464 176.870 0.056 0.000 1.118 111 L CA 0.961 55.828 54.840 0.045 0.000 0.918 111 L CB 0.504 42.594 42.059 0.051 0.000 1.246 111 L HN 0.409 nan 8.230 nan 0.000 0.526 112 T N -4.178 110.414 114.554 0.063 0.000 3.215 112 T HA 0.204 4.554 4.350 0.001 0.000 0.271 112 T C 0.505 175.251 174.700 0.076 0.000 1.012 112 T CA -0.401 61.746 62.100 0.078 0.000 0.899 112 T CB 0.020 68.948 68.868 0.100 0.000 1.089 112 T HN 0.080 nan 8.240 nan 0.000 0.552 113 Q N 1.985 121.819 119.800 0.056 0.000 2.274 113 Q HA 0.406 4.746 4.340 0.001 0.000 0.280 113 Q C -0.369 175.664 176.000 0.055 0.000 1.047 113 Q CA -0.251 55.581 55.803 0.049 0.000 0.907 113 Q CB 1.016 29.770 28.738 0.026 0.000 1.171 113 Q HN 0.548 nan 8.270 nan 0.000 0.381 114 V N 0.327 120.283 119.914 0.070 0.000 2.623 114 V HA 0.483 4.604 4.120 0.001 0.000 0.304 114 V C -0.553 175.582 176.094 0.067 0.000 1.054 114 V CA -1.208 61.135 62.300 0.072 0.000 0.882 114 V CB 1.788 33.668 31.823 0.095 0.000 1.002 114 V HN 0.616 nan 8.190 nan 0.000 0.424 115 N N 3.413 122.140 118.700 0.045 0.000 2.434 115 N HA 0.531 5.272 4.740 0.001 0.000 0.266 115 N C -2.763 172.779 175.510 0.054 0.000 1.223 115 N CA -1.545 51.525 53.050 0.033 0.000 0.972 115 N CB 1.474 39.972 38.487 0.017 0.000 1.207 115 N HN 0.447 nan 8.380 nan 0.000 0.525 116 P HA 0.052 nan 4.420 nan 0.000 0.262 116 P C 0.561 177.888 177.300 0.045 0.000 1.182 116 P CA 0.851 63.986 63.100 0.058 0.000 0.761 116 P CB 0.254 31.983 31.700 0.048 0.000 0.795 117 G N 1.535 110.363 108.800 0.046 0.000 2.175 117 G HA2 -0.189 3.772 3.960 0.001 0.000 0.244 117 G HA3 -0.189 3.772 3.960 0.001 0.000 0.244 117 G C -0.068 174.855 174.900 0.038 0.000 0.982 117 G CA -0.291 44.832 45.100 0.037 0.000 0.641 117 G HN 0.545 nan 8.290 nan 0.000 0.527 118 E N 0.072 120.300 120.200 0.046 0.000 2.339 118 E HA 0.650 5.000 4.350 0.001 0.000 0.262 118 E C -0.057 176.576 176.600 0.056 0.000 0.934 118 E CA -0.598 55.830 56.400 0.046 0.000 0.802 118 E CB 1.624 31.351 29.700 0.045 0.000 1.275 118 E HN 0.582 nan 8.360 nan 0.000 0.427 119 E N -0.209 120.023 120.200 0.053 0.000 2.449 119 E HA 0.651 5.001 4.350 0.001 0.000 0.278 119 E C -1.285 175.350 176.600 0.058 0.000 0.992 119 E CA -0.806 55.630 56.400 0.060 0.000 0.807 119 E CB 2.497 32.228 29.700 0.053 0.000 1.350 119 E HN 0.336 nan 8.360 nan 0.000 0.462 120 T N -0.162 114.431 114.554 0.065 0.000 2.885 120 T HA 0.437 4.788 4.350 0.001 0.000 0.322 120 T C -1.612 173.128 174.700 0.067 0.000 1.387 120 T CA -0.425 61.713 62.100 0.063 0.000 1.041 120 T CB 2.056 70.966 68.868 0.070 0.000 1.287 120 T HN 0.472 nan 8.240 nan 0.000 0.491 121 T N 3.635 118.224 114.554 0.058 0.000 2.809 121 T HA 0.644 4.994 4.350 0.001 0.000 0.284 121 T C -1.152 173.586 174.700 0.063 0.000 0.992 121 T CA -0.477 61.658 62.100 0.057 0.000 0.957 121 T CB 1.030 69.920 68.868 0.037 0.000 0.942 121 T HN 0.544 nan 8.240 nan 0.000 0.439 122 L N 3.438 124.711 121.223 0.083 0.000 2.346 122 L HA 0.783 5.123 4.340 0.001 0.000 0.276 122 L C -0.382 176.534 176.870 0.078 0.000 1.006 122 L CA -0.611 54.291 54.840 0.103 0.000 0.817 122 L CB 1.481 43.637 42.059 0.162 0.000 1.272 122 L HN 0.580 nan 8.230 nan 0.000 0.421 123 R N 4.254 124.802 120.500 0.081 0.000 2.621 123 R HA 0.726 5.067 4.340 0.001 0.000 0.292 123 R C -1.908 174.469 176.300 0.128 0.000 0.969 123 R CA -0.563 55.554 56.100 0.028 0.000 0.887 123 R CB 1.396 31.707 30.300 0.019 0.000 1.180 123 R HN 0.672 nan 8.270 nan 0.000 0.450 124 F N 0.564 120.489 119.950 -0.042 0.000 2.619 124 F HA 0.472 4.999 4.527 0.001 0.000 0.308 124 F C -1.468 174.251 175.800 -0.136 0.000 1.097 124 F CA -1.220 56.735 58.000 -0.075 0.000 0.953 124 F CB 1.305 40.207 39.000 -0.164 0.000 1.287 124 F HN 0.328 nan 8.300 nan 0.000 0.446 125 K N 2.248 122.633 120.400 -0.024 0.000 2.234 125 K HA 0.698 5.019 4.320 0.001 0.000 0.282 125 K C -0.289 176.227 176.600 -0.140 0.000 1.039 125 K CA -0.462 55.571 56.287 -0.424 0.000 0.928 125 K CB 1.306 33.481 32.500 -0.541 0.000 1.039 125 K HN 0.952 nan 8.250 nan 0.000 0.470 126 A N 3.916 126.585 122.820 -0.251 0.000 2.990 126 A HA 0.064 4.385 4.320 0.001 0.000 0.282 126 A C 1.057 178.578 177.584 -0.105 0.000 1.688 126 A CA -0.262 51.714 52.037 -0.103 0.000 1.391 126 A CB -0.729 18.192 19.000 -0.132 0.000 1.112 126 A HN 0.934 nan 8.150 nan 0.000 0.588 127 T N -1.349 113.153 114.554 -0.087 0.000 3.035 127 T HA 0.049 4.399 4.350 0.001 0.000 0.268 127 T C 0.636 175.332 174.700 -0.006 0.000 1.109 127 T CA 0.938 63.004 62.100 -0.057 0.000 1.119 127 T CB -0.226 68.614 68.868 -0.047 0.000 0.900 127 T HN 0.517 nan 8.240 nan 0.000 0.503 128 K N 2.634 123.037 120.400 0.004 0.000 2.376 128 K HA 0.440 4.760 4.320 0.001 0.000 0.257 128 K C -3.010 173.724 176.600 0.223 0.000 0.939 128 K CA -2.473 53.885 56.287 0.119 0.000 0.809 128 K CB 2.222 34.838 32.500 0.193 0.000 1.121 128 K HN 0.098 nan 8.250 nan 0.000 0.425 129 P HA 0.277 nan 4.420 nan 0.000 0.279 129 P C -0.161 177.190 177.300 0.085 0.000 1.239 129 P CA 0.073 63.315 63.100 0.237 0.000 0.789 129 P CB 1.503 33.345 31.700 0.237 0.000 0.933 130 G N 1.003 109.752 108.800 -0.084 0.000 2.369 130 G HA2 0.285 4.245 3.960 0.001 0.000 0.293 130 G HA3 0.285 4.245 3.960 0.001 0.000 0.293 130 G C -1.154 173.401 174.900 -0.575 0.000 1.301 130 G CA -0.352 44.098 45.100 -1.083 0.000 0.913 130 G HN 0.500 nan 8.290 nan 0.000 0.540 131 V N -1.956 117.487 119.914 -0.785 0.000 2.472 131 V HA 0.925 5.045 4.120 0.001 0.000 0.290 131 V C -0.508 175.334 176.094 -0.421 0.000 1.037 131 V CA -0.951 61.170 62.300 -0.299 0.000 0.908 131 V CB 0.812 32.523 31.823 -0.187 0.000 0.985 131 V HN 0.807 nan 8.190 nan 0.000 0.454 132 F N 1.832 121.745 119.950 -0.061 0.000 2.588 132 F HA 0.732 5.259 4.527 0.001 0.000 0.314 132 F C 0.093 175.874 175.800 -0.032 0.000 1.069 132 F CA -1.091 56.913 58.000 0.007 0.000 0.931 132 F CB 2.097 41.139 39.000 0.070 0.000 1.260 132 F HN 0.394 nan 8.300 nan 0.000 0.465 133 V N 2.025 122.003 119.914 0.106 0.000 2.686 133 V HA 0.323 4.444 4.120 0.001 0.000 0.295 133 V C -0.981 174.944 176.094 -0.282 0.000 1.057 133 V CA -0.506 61.697 62.300 -0.162 0.000 1.012 133 V CB 1.170 32.849 31.823 -0.241 0.000 1.006 133 V HN 0.645 nan 8.190 nan 0.000 0.477 134 Y N 2.726 122.838 120.300 -0.313 0.000 2.477 134 Y HA 0.881 5.431 4.550 0.001 0.000 0.347 134 Y C -0.681 175.013 175.900 -0.344 0.000 0.981 134 Y CA -1.542 56.228 58.100 -0.549 0.000 1.033 134 Y CB 1.301 39.236 38.460 -0.875 0.000 1.245 134 Y HN 0.874 nan 8.280 nan 0.000 0.455 135 H N 0.332 119.376 119.070 -0.043 0.000 3.003 135 H HA 0.512 5.068 4.556 0.001 0.000 0.327 135 H C -1.500 173.970 175.328 0.238 0.000 1.353 135 H CA -1.516 54.627 56.048 0.157 0.000 1.142 135 H CB 0.759 30.555 29.762 0.057 0.000 1.864 135 H HN 1.104 nan 8.280 nan 0.000 0.529 136 C N 1.537 121.166 119.300 0.548 0.000 2.652 136 C HA 0.757 5.217 4.460 0.001 0.000 0.412 136 C C 0.740 175.939 174.990 0.349 0.000 1.294 136 C CA 0.727 59.975 59.018 0.382 0.000 2.127 136 C CB -0.958 26.959 27.740 0.294 0.000 2.691 136 C HN 0.972 nan 8.230 nan 0.000 0.615 137 A N 6.191 129.113 122.820 0.169 0.000 3.422 137 A HA 0.503 4.824 4.320 0.001 0.000 0.271 137 A C -2.903 174.694 177.584 0.021 0.000 1.104 137 A CA -0.660 51.464 52.037 0.145 0.000 0.899 137 A CB 0.181 19.301 19.000 0.201 0.000 1.309 137 A HN 0.713 nan 8.150 nan 0.000 0.580 138 P HA 0.220 nan 4.420 nan 0.000 0.282 138 P C -0.048 177.219 177.300 -0.055 0.000 1.262 138 P CA -0.041 62.977 63.100 -0.137 0.000 0.773 138 P CB 0.657 32.142 31.700 -0.359 0.000 0.879 139 E N 2.818 123.006 120.200 -0.020 0.000 2.652 139 E HA 0.074 4.424 4.350 0.001 0.000 0.255 139 E C 1.169 177.775 176.600 0.009 0.000 0.952 139 E CA 1.134 57.537 56.400 0.005 0.000 0.947 139 E CB -0.541 29.161 29.700 0.003 0.000 0.912 139 E HN 0.798 nan 8.360 nan 0.000 0.489 140 G N 4.005 112.826 108.800 0.035 0.000 2.225 140 G HA2 -0.303 3.658 3.960 0.001 0.000 0.254 140 G HA3 -0.303 3.658 3.960 0.001 0.000 0.254 140 G C 0.544 175.509 174.900 0.109 0.000 0.988 140 G CA 0.536 45.665 45.100 0.049 0.000 0.625 140 G HN 0.583 nan 8.290 nan 0.000 0.527 141 M N 0.597 120.279 119.600 0.137 0.000 3.017 141 M HA 0.322 4.802 4.480 0.001 0.000 0.423 141 M C 1.634 178.126 176.300 0.320 0.000 1.395 141 M CA -0.204 55.288 55.300 0.321 0.000 0.816 141 M CB 1.321 34.165 32.600 0.407 0.000 1.440 141 M HN 0.027 nan 8.290 nan 0.000 0.506 142 V N 1.764 121.793 119.914 0.190 0.000 2.220 142 V HA -0.165 3.955 4.120 0.001 0.000 0.246 142 V C -0.438 175.778 176.094 0.204 0.000 1.049 142 V CA 2.111 64.510 62.300 0.165 0.000 1.003 142 V CB -1.658 30.242 31.823 0.128 0.000 0.634 142 V HN 0.364 nan 8.190 nan 0.000 0.444 143 P HA -0.224 nan 4.420 nan 0.000 0.218 143 P C 1.489 178.937 177.300 0.247 0.000 1.148 143 P CA 1.939 65.123 63.100 0.139 0.000 0.822 143 P CB -0.197 31.540 31.700 0.063 0.000 0.784 144 W N 1.412 122.795 121.300 0.139 0.000 2.335 144 W HA -0.171 4.490 4.660 0.001 0.000 0.311 144 W C 2.523 179.156 176.519 0.190 0.000 1.213 144 W CA 1.624 59.065 57.345 0.160 0.000 1.274 144 W CB -1.390 28.244 29.460 0.288 0.000 1.148 144 W HN 0.080 nan 8.180 nan 0.000 0.498 145 H N -1.220 117.886 119.070 0.062 0.000 2.326 145 H HA -0.139 4.418 4.556 0.001 0.000 0.301 145 H C 2.202 177.510 175.328 -0.032 0.000 1.081 145 H CA 2.101 58.078 56.048 -0.118 0.000 1.334 145 H CB -0.509 29.256 29.762 0.005 0.000 1.385 145 H HN -0.009 nan 8.280 nan 0.000 0.504 146 V N 0.990 121.008 119.914 0.173 0.000 2.343 146 V HA -0.225 3.895 4.120 0.001 0.000 0.247 146 V C 2.609 178.748 176.094 0.076 0.000 1.051 146 V CA 2.244 64.600 62.300 0.093 0.000 1.036 146 V CB -0.786 31.029 31.823 -0.013 0.000 0.654 146 V HN 0.615 nan 8.190 nan 0.000 0.451 147 T N -3.491 111.136 114.554 0.120 0.000 3.160 147 T HA 0.016 4.366 4.350 0.001 0.000 0.257 147 T C 1.386 176.249 174.700 0.272 0.000 1.147 147 T CA 0.970 63.186 62.100 0.194 0.000 1.064 147 T CB 0.001 69.057 68.868 0.314 0.000 0.949 147 T HN 0.318 nan 8.240 nan 0.000 0.526 148 S N 0.307 116.084 115.700 0.128 0.000 2.557 148 S HA 0.498 4.968 4.470 0.001 0.000 0.223 148 S C 1.643 176.337 174.600 0.156 0.000 0.969 148 S CA 0.074 58.324 58.200 0.083 0.000 0.927 148 S CB 0.053 63.090 63.200 -0.271 0.000 0.806 148 S HN 0.921 nan 8.310 nan 0.000 0.489 149 G N 1.576 110.473 108.800 0.161 0.000 2.176 149 G HA2 -0.248 3.713 3.960 0.001 0.000 0.232 149 G HA3 -0.248 3.713 3.960 0.001 0.000 0.232 149 G C 0.210 175.140 174.900 0.050 0.000 0.986 149 G CA 0.018 45.182 45.100 0.107 0.000 0.643 149 G HN 0.469 nan 8.290 nan 0.000 0.522 150 M N 1.812 121.425 119.600 0.022 0.000 3.436 150 M HA 0.428 4.909 4.480 0.001 0.000 0.240 150 M C 0.270 176.748 176.300 0.296 0.000 1.469 150 M CA 0.265 55.569 55.300 0.008 0.000 1.622 150 M CB -0.651 31.865 32.600 -0.139 0.000 1.098 150 M HN 0.585 nan 8.290 nan 0.000 0.568 151 N N 0.341 119.233 118.700 0.321 0.000 2.859 151 N HA 0.860 5.601 4.740 0.001 0.000 0.250 151 N C -0.827 174.639 175.510 -0.073 0.000 1.341 151 N CA -0.865 52.303 53.050 0.197 0.000 0.881 151 N CB 1.202 39.743 38.487 0.090 0.000 1.516 151 N HN 0.210 nan 8.380 nan 0.000 0.503 152 G N -0.800 107.589 108.800 -0.685 0.000 2.793 152 G HA2 0.908 4.869 3.960 0.001 0.000 0.248 152 G HA3 0.908 4.869 3.960 0.001 0.000 0.248 152 G C -1.770 172.522 174.900 -1.012 0.000 1.198 152 G CA -0.248 44.354 45.100 -0.830 0.000 0.865 152 G HN 1.140 nan 8.290 nan 0.000 0.534 153 A N -1.089 121.164 122.820 -0.945 0.000 2.610 153 A HA 0.783 5.103 4.320 0.001 0.000 0.291 153 A C -1.812 175.718 177.584 -0.089 0.000 1.086 153 A CA -0.375 51.389 52.037 -0.456 0.000 0.677 153 A CB 1.479 20.211 19.000 -0.446 0.000 1.278 153 A HN 1.621 nan 8.150 nan 0.000 0.414 154 I N 0.808 121.433 120.570 0.091 0.000 2.619 154 I HA 0.682 4.853 4.170 0.001 0.000 0.292 154 I C -1.015 175.166 176.117 0.106 0.000 1.100 154 I CA -0.958 60.414 61.300 0.120 0.000 1.043 154 I CB 1.706 39.851 38.000 0.243 0.000 1.239 154 I HN 0.877 nan 8.210 nan 0.000 0.420 155 M N 8.101 127.714 119.600 0.021 0.000 2.205 155 M HA 0.503 4.983 4.480 0.001 0.000 0.344 155 M C -1.818 174.516 176.300 0.057 0.000 1.085 155 M CA -0.587 54.742 55.300 0.049 0.000 1.001 155 M CB 1.494 34.075 32.600 -0.032 0.000 1.626 155 M HN 0.417 nan 8.290 nan 0.000 0.442 156 V N 7.046 127.054 119.914 0.157 0.000 2.275 156 V HA 0.327 4.448 4.120 0.001 0.000 0.272 156 V C -0.060 176.130 176.094 0.159 0.000 1.028 156 V CA -0.605 61.761 62.300 0.109 0.000 0.810 156 V CB 0.730 32.637 31.823 0.140 0.000 1.043 156 V HN 0.840 nan 8.190 nan 0.000 0.453 157 L N 6.791 128.000 121.223 -0.024 0.000 2.439 157 L HA 0.331 4.672 4.340 0.001 0.000 0.269 157 L C -2.125 174.776 176.870 0.052 0.000 1.179 157 L CA -1.507 53.305 54.840 -0.046 0.000 0.828 157 L CB 0.940 42.809 42.059 -0.316 0.000 1.106 157 L HN 0.354 nan 8.230 nan 0.000 0.467 158 P HA 0.108 nan 4.420 nan 0.000 0.271 158 P C 0.023 177.416 177.300 0.156 0.000 1.218 158 P CA -0.245 62.909 63.100 0.089 0.000 0.780 158 P CB 0.543 32.250 31.700 0.012 0.000 0.901 159 R N 1.394 121.982 120.500 0.147 0.000 2.170 159 R HA -0.180 4.161 4.340 0.001 0.000 0.242 159 R C 0.684 177.019 176.300 0.058 0.000 1.145 159 R CA 1.512 57.687 56.100 0.124 0.000 0.984 159 R CB -0.374 29.950 30.300 0.040 0.000 0.869 159 R HN 0.541 nan 8.270 nan 0.000 0.455 160 D N -0.374 120.048 120.400 0.036 0.000 2.491 160 D HA 0.162 4.802 4.640 0.001 0.000 0.228 160 D C 0.194 176.484 176.300 -0.017 0.000 1.183 160 D CA 0.510 54.509 54.000 -0.002 0.000 0.827 160 D CB 0.285 41.077 40.800 -0.013 0.000 0.989 160 D HN 0.327 nan 8.370 nan 0.000 0.494 161 G N -0.023 108.780 108.800 0.005 0.000 2.796 161 G HA2 -0.245 3.715 3.960 0.001 0.000 0.226 161 G HA3 -0.245 3.715 3.960 0.001 0.000 0.226 161 G C -0.320 174.485 174.900 -0.158 0.000 1.381 161 G CA -0.407 44.657 45.100 -0.060 0.000 0.867 161 G HN 0.274 nan 8.290 nan 0.000 0.552 162 L N 0.333 121.420 121.223 -0.228 0.000 2.436 162 L HA 0.550 4.890 4.340 0.001 0.000 0.265 162 L C 0.585 177.349 176.870 -0.177 0.000 1.168 162 L CA -0.355 54.294 54.840 -0.320 0.000 0.815 162 L CB 0.753 42.605 42.059 -0.345 0.000 1.109 162 L HN 0.469 nan 8.230 nan 0.000 0.462 163 K N 0.951 121.292 120.400 -0.099 0.000 2.469 163 K HA 0.343 4.664 4.320 0.001 0.000 0.254 163 K C -1.113 175.455 176.600 -0.053 0.000 0.939 163 K CA -0.841 55.398 56.287 -0.081 0.000 0.812 163 K CB 2.155 34.633 32.500 -0.036 0.000 1.301 163 K HN 0.579 nan 8.250 nan 0.000 0.433 164 D N 0.083 120.361 120.400 -0.202 0.000 2.447 164 D HA -0.046 4.595 4.640 0.001 0.000 0.265 164 D C 0.899 177.153 176.300 -0.077 0.000 1.250 164 D CA -0.230 53.606 54.000 -0.273 0.000 1.046 164 D CB 0.413 40.953 40.800 -0.433 0.000 1.095 164 D HN 0.483 nan 8.370 nan 0.000 0.555 165 E N -0.324 119.856 120.200 -0.032 0.000 2.510 165 E HA -0.198 4.152 4.350 0.001 0.000 0.202 165 E C 0.282 176.882 176.600 -0.001 0.000 1.072 165 E CA 0.850 57.249 56.400 -0.001 0.000 0.883 165 E CB -0.306 29.396 29.700 0.003 0.000 0.818 165 E HN 0.557 nan 8.360 nan 0.000 0.548 166 K N -0.749 119.642 120.400 -0.015 0.000 2.447 166 K HA 0.245 4.566 4.320 0.001 0.000 0.205 166 K C 0.714 177.303 176.600 -0.019 0.000 1.059 166 K CA 0.303 56.581 56.287 -0.014 0.000 1.065 166 K CB 1.026 33.516 32.500 -0.016 0.000 0.885 166 K HN 0.204 nan 8.250 nan 0.000 0.545 167 G N 1.354 110.141 108.800 -0.022 0.000 2.176 167 G HA2 -0.224 3.736 3.960 0.001 0.000 0.253 167 G HA3 -0.224 3.736 3.960 0.001 0.000 0.253 167 G C -0.097 174.777 174.900 -0.044 0.000 0.979 167 G CA -0.057 45.030 45.100 -0.022 0.000 0.641 167 G HN 0.147 nan 8.290 nan 0.000 0.530 168 Q N 0.875 120.633 119.800 -0.069 0.000 2.259 168 Q HA 0.433 4.774 4.340 0.001 0.000 0.246 168 Q C -2.134 173.789 176.000 -0.129 0.000 0.920 168 Q CA -2.091 53.660 55.803 -0.087 0.000 0.895 168 Q CB 1.397 30.084 28.738 -0.086 0.000 1.220 168 Q HN 0.334 nan 8.270 nan 0.000 0.439 169 P HA 0.090 nan 4.420 nan 0.000 0.268 169 P C -0.666 176.508 177.300 -0.209 0.000 1.205 169 P CA 0.161 63.177 63.100 -0.140 0.000 0.771 169 P CB 0.653 32.294 31.700 -0.099 0.000 0.858 170 L N 3.131 124.201 121.223 -0.256 0.000 2.345 170 L HA 0.329 4.670 4.340 0.001 0.000 0.274 170 L C 0.182 176.981 176.870 -0.119 0.000 0.999 170 L CA -0.186 54.412 54.840 -0.402 0.000 0.849 170 L CB 1.607 43.217 42.059 -0.748 0.000 1.220 170 L HN 0.265 nan 8.230 nan 0.000 0.422 171 T N 1.853 116.438 114.554 0.050 0.000 2.770 171 T HA 0.452 4.803 4.350 0.001 0.000 0.283 171 T C -0.572 174.303 174.700 0.293 0.000 0.988 171 T CA -0.391 61.747 62.100 0.062 0.000 0.957 171 T CB 0.614 69.458 68.868 -0.041 0.000 0.930 171 T HN 0.281 nan 8.240 nan 0.000 0.443 172 Y N 0.650 121.119 120.300 0.283 0.000 2.335 172 Y HA 0.554 5.105 4.550 0.001 0.000 0.323 172 Y C 0.644 176.549 175.900 0.009 0.000 1.224 172 Y CA -1.281 56.869 58.100 0.082 0.000 1.241 172 Y CB 0.638 39.102 38.460 0.007 0.000 1.235 172 Y HN 0.435 nan 8.280 nan 0.000 0.492 173 D N 1.124 121.608 120.400 0.140 0.000 2.301 173 D HA 0.073 4.714 4.640 0.001 0.000 0.206 173 D C -0.187 176.174 176.300 0.102 0.000 0.979 173 D CA 0.904 54.949 54.000 0.075 0.000 0.874 173 D CB 0.431 41.258 40.800 0.044 0.000 0.968 173 D HN 0.581 nan 8.370 nan 0.000 0.510 174 K N 0.178 120.652 120.400 0.123 0.000 2.477 174 K HA 0.625 4.945 4.320 0.001 0.000 0.255 174 K C -1.040 175.506 176.600 -0.091 0.000 0.952 174 K CA -0.673 55.611 56.287 -0.005 0.000 0.826 174 K CB 3.325 35.767 32.500 -0.098 0.000 1.331 174 K HN -0.136 nan 8.250 nan 0.000 0.437 175 I N 1.544 121.962 120.570 -0.254 0.000 2.607 175 I HA 0.432 4.603 4.170 0.001 0.000 0.290 175 I C -1.892 174.034 176.117 -0.319 0.000 1.129 175 I CA -0.685 60.435 61.300 -0.301 0.000 1.042 175 I CB 1.269 39.087 38.000 -0.303 0.000 1.242 175 I HN 0.573 nan 8.210 nan 0.000 0.421 176 Y N 6.177 126.470 120.300 -0.011 0.000 2.536 176 Y HA 0.463 5.013 4.550 0.001 0.000 0.347 176 Y C -1.177 174.730 175.900 0.011 0.000 1.000 176 Y CA -0.636 57.440 58.100 -0.041 0.000 1.051 176 Y CB 1.847 40.221 38.460 -0.144 0.000 1.259 176 Y HN 0.430 nan 8.280 nan 0.000 0.468 177 Y N 2.164 122.483 120.300 0.031 0.000 2.338 177 Y HA 0.682 5.233 4.550 0.001 0.000 0.328 177 Y C -1.573 174.236 175.900 -0.151 0.000 0.965 177 Y CA -1.834 56.236 58.100 -0.049 0.000 1.208 177 Y CB 0.891 39.335 38.460 -0.026 0.000 1.132 177 Y HN 0.350 nan 8.280 nan 0.000 0.469 178 V N 6.392 125.995 119.914 -0.519 0.000 2.328 178 V HA 0.558 4.679 4.120 0.001 0.000 0.278 178 V C 0.479 175.973 176.094 -1.000 0.000 1.021 178 V CA -0.465 61.354 62.300 -0.802 0.000 0.838 178 V CB 1.171 32.496 31.823 -0.831 0.000 0.999 178 V HN 0.993 nan 8.190 nan 0.000 0.447 179 G N 3.469 111.696 108.800 -0.955 0.000 2.319 179 G HA2 0.513 4.474 3.960 0.001 0.000 0.308 179 G HA3 0.513 4.474 3.960 0.001 0.000 0.308 179 G C -0.497 174.202 174.900 -0.336 0.000 1.117 179 G CA -0.300 44.421 45.100 -0.632 0.000 0.903 179 G HN 0.701 nan 8.290 nan 0.000 0.436 180 E N 1.374 121.466 120.200 -0.181 0.000 2.197 180 E HA 0.386 4.737 4.350 0.001 0.000 0.281 180 E C -0.688 175.878 176.600 -0.057 0.000 0.995 180 E CA -0.631 55.803 56.400 0.058 0.000 0.808 180 E CB 1.166 31.054 29.700 0.312 0.000 1.093 180 E HN 0.371 nan 8.360 nan 0.000 0.394 181 Q N 3.598 123.296 119.800 -0.171 0.000 2.330 181 Q HA 0.195 4.536 4.340 0.001 0.000 0.269 181 Q C -1.746 173.943 176.000 -0.518 0.000 1.022 181 Q CA -0.812 54.748 55.803 -0.405 0.000 0.796 181 Q CB 1.296 29.623 28.738 -0.686 0.000 1.271 181 Q HN 0.529 nan 8.270 nan 0.000 0.450 182 D N 3.435 123.602 120.400 -0.389 0.000 2.274 182 D HA 0.290 4.931 4.640 0.001 0.000 0.239 182 D C -0.850 175.220 176.300 -0.383 0.000 1.104 182 D CA -0.221 53.575 54.000 -0.341 0.000 0.840 182 D CB 0.485 41.202 40.800 -0.138 0.000 1.100 182 D HN 0.210 nan 8.370 nan 0.000 0.477 183 F N 1.171 120.957 119.950 -0.273 0.000 2.492 183 F HA 0.345 4.873 4.527 0.001 0.000 0.327 183 F C -0.349 175.214 175.800 -0.394 0.000 1.079 183 F CA -1.112 56.778 58.000 -0.183 0.000 0.967 183 F CB 1.454 40.364 39.000 -0.151 0.000 1.169 183 F HN 0.209 nan 8.300 nan 0.000 0.472 184 Y N 1.603 122.076 120.300 0.288 0.000 2.748 184 Y HA 0.425 4.975 4.550 0.001 0.000 0.359 184 Y C -0.470 175.537 175.900 0.179 0.000 1.030 184 Y CA -1.022 57.201 58.100 0.204 0.000 1.169 184 Y CB 0.643 39.191 38.460 0.148 0.000 1.127 184 Y HN 0.146 nan 8.280 nan 0.000 0.644 185 V N 4.120 124.182 119.914 0.248 0.000 2.439 185 V HA 0.156 4.276 4.120 0.001 0.000 0.271 185 V C -1.982 174.316 176.094 0.340 0.000 1.040 185 V CA -1.794 60.622 62.300 0.194 0.000 1.002 185 V CB 0.397 32.170 31.823 -0.083 0.000 1.000 185 V HN 0.383 nan 8.190 nan 0.000 0.477 186 P HA 0.229 nan 4.420 nan 0.000 0.267 186 P C -0.492 176.988 177.300 0.299 0.000 1.200 186 P CA -0.022 63.250 63.100 0.287 0.000 0.772 186 P CB 0.579 32.460 31.700 0.302 0.000 0.855 187 K N 1.281 121.792 120.400 0.185 0.000 2.385 187 K HA 0.370 4.691 4.320 0.001 0.000 0.248 187 K C -0.532 176.098 176.600 0.049 0.000 0.955 187 K CA -0.879 55.460 56.287 0.086 0.000 0.816 187 K CB 1.353 33.847 32.500 -0.009 0.000 1.250 187 K HN 0.438 nan 8.250 nan 0.000 0.434 188 D N 0.103 120.508 120.400 0.008 0.000 2.451 188 D HA 0.052 4.693 4.640 0.001 0.000 0.259 188 D C 0.511 176.803 176.300 -0.013 0.000 1.201 188 D CA -0.434 53.566 54.000 -0.000 0.000 1.028 188 D CB 0.516 41.306 40.800 -0.017 0.000 1.095 188 D HN 0.375 nan 8.370 nan 0.000 0.539 189 E N -0.614 119.579 120.200 -0.011 0.000 2.209 189 E HA -0.117 4.234 4.350 0.001 0.000 0.196 189 E C 1.885 178.469 176.600 -0.026 0.000 0.993 189 E CA 1.693 58.084 56.400 -0.015 0.000 0.819 189 E CB -0.487 29.207 29.700 -0.011 0.000 0.745 189 E HN 0.541 nan 8.360 nan 0.000 0.477 190 A N -0.679 122.121 122.820 -0.033 0.000 2.119 190 A HA 0.236 4.557 4.320 0.001 0.000 0.217 190 A C 1.834 179.380 177.584 -0.063 0.000 1.153 190 A CA 1.145 53.156 52.037 -0.043 0.000 0.692 190 A CB -0.360 18.615 19.000 -0.042 0.000 0.799 190 A HN 0.339 nan 8.150 nan 0.000 0.458 191 G N -1.092 107.662 108.800 -0.076 0.000 2.144 191 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 191 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 191 G C -0.168 174.608 174.900 -0.207 0.000 0.988 191 G CA 0.057 45.085 45.100 -0.121 0.000 0.659 191 G HN 0.616 nan 8.290 nan 0.000 0.522 192 N N -0.215 118.388 118.700 -0.162 0.000 2.473 192 N HA 0.518 5.258 4.740 0.001 0.000 0.291 192 N C -0.405 175.019 175.510 -0.143 0.000 1.083 192 N CA -0.760 52.176 53.050 -0.189 0.000 0.951 192 N CB 0.692 39.126 38.487 -0.088 0.000 1.164 192 N HN 0.103 nan 8.380 nan 0.000 0.480 193 Y N 1.570 121.878 120.300 0.015 0.000 2.610 193 Y HA -0.010 4.541 4.550 0.001 0.000 0.332 193 Y C 0.875 176.768 175.900 -0.013 0.000 1.201 193 Y CA 0.227 58.344 58.100 0.029 0.000 1.465 193 Y CB 0.261 38.747 38.460 0.043 0.000 1.283 193 Y HN 0.188 nan 8.280 nan 0.000 0.563 194 K N 3.695 124.190 120.400 0.158 0.000 2.118 194 K HA 0.388 4.708 4.320 0.001 0.000 0.264 194 K C -0.557 175.914 176.600 -0.215 0.000 1.000 194 K CA -0.870 55.369 56.287 -0.080 0.000 0.929 194 K CB 0.968 33.383 32.500 -0.141 0.000 1.021 194 K HN 0.502 nan 8.250 nan 0.000 0.463 195 K N 2.042 122.202 120.400 -0.400 0.000 2.207 195 K HA 0.370 4.690 4.320 0.001 0.000 0.255 195 K C -1.188 175.088 176.600 -0.539 0.000 0.941 195 K CA -0.720 55.388 56.287 -0.299 0.000 0.825 195 K CB 1.201 33.624 32.500 -0.128 0.000 1.119 195 K HN 0.389 nan 8.250 nan 0.000 0.430 196 Y N 0.191 120.581 120.300 0.149 0.000 2.499 196 Y HA 0.168 4.719 4.550 0.001 0.000 0.347 196 Y C 1.041 177.107 175.900 0.276 0.000 0.987 196 Y CA -0.820 57.389 58.100 0.181 0.000 1.044 196 Y CB 1.932 40.505 38.460 0.189 0.000 1.245 196 Y HN 0.634 nan 8.280 nan 0.000 0.461 197 E N 0.515 120.885 120.200 0.284 0.000 2.216 197 E HA -0.001 4.349 4.350 0.001 0.000 0.192 197 E C 0.088 176.765 176.600 0.129 0.000 0.988 197 E CA 1.143 57.666 56.400 0.205 0.000 0.834 197 E CB 0.375 30.142 29.700 0.112 0.000 0.772 197 E HN 0.696 nan 8.360 nan 0.000 0.479 198 T N -3.720 110.802 114.554 -0.053 0.000 2.883 198 T HA 0.246 4.596 4.350 0.001 0.000 0.301 198 T C -2.586 171.816 174.700 -0.496 0.000 1.158 198 T CA -1.934 59.971 62.100 -0.324 0.000 1.007 198 T CB 1.993 70.805 68.868 -0.093 0.000 1.186 198 T HN -0.363 nan 8.240 nan 0.000 0.499 199 P HA 0.020 nan 4.420 nan 0.000 0.215 199 P C 1.879 179.285 177.300 0.177 0.000 1.157 199 P CA 1.633 64.657 63.100 -0.126 0.000 0.868 199 P CB -0.407 31.255 31.700 -0.064 0.000 0.788 200 G N 0.179 109.052 108.800 0.122 0.000 2.469 200 G HA2 -0.301 3.659 3.960 0.001 0.000 0.219 200 G HA3 -0.301 3.659 3.960 0.001 0.000 0.219 200 G C 1.440 176.340 174.900 0.000 0.000 1.150 200 G CA 0.803 45.954 45.100 0.085 0.000 0.763 200 G HN 0.301 nan 8.290 nan 0.000 0.561 201 E N 0.233 120.435 120.200 0.004 0.000 2.265 201 E HA 0.016 4.366 4.350 0.001 0.000 0.196 201 E C 2.588 179.157 176.600 -0.051 0.000 0.996 201 E CA 0.608 57.032 56.400 0.041 0.000 0.832 201 E CB -0.070 29.723 29.700 0.155 0.000 0.756 201 E HN 0.478 nan 8.360 nan 0.000 0.491 202 A N -0.273 122.367 122.820 -0.301 0.000 2.195 202 A HA -0.024 4.297 4.320 0.001 0.000 0.210 202 A C 1.558 178.881 177.584 -0.435 0.000 1.165 202 A CA -0.130 51.459 52.037 -0.747 0.000 0.806 202 A CB -0.243 18.031 19.000 -1.210 0.000 0.847 202 A HN 0.276 nan 8.150 nan 0.000 0.482 203 Y N 1.427 121.413 120.300 -0.523 0.000 2.030 203 Y HA -0.346 4.204 4.550 0.001 0.000 0.272 203 Y C 2.260 177.864 175.900 -0.493 0.000 1.185 203 Y CA 2.620 60.241 58.100 -0.798 0.000 1.120 203 Y CB -0.284 37.686 38.460 -0.817 0.000 0.955 203 Y HN 0.373 nan 8.280 nan 0.000 0.495 204 E N 0.275 120.299 120.200 -0.294 0.000 2.049 204 E HA -0.211 4.140 4.350 0.001 0.000 0.198 204 E C 1.877 178.333 176.600 -0.241 0.000 1.007 204 E CA 1.854 58.113 56.400 -0.235 0.000 0.809 204 E CB -0.517 29.137 29.700 -0.078 0.000 0.749 204 E HN 0.538 nan 8.360 nan 0.000 0.450 205 D N -0.506 119.795 120.400 -0.165 0.000 2.178 205 D HA -0.084 4.557 4.640 0.001 0.000 0.202 205 D C 1.710 177.937 176.300 -0.122 0.000 0.974 205 D CA 1.298 55.256 54.000 -0.071 0.000 0.841 205 D CB -0.344 40.506 40.800 0.084 0.000 0.953 205 D HN 0.220 nan 8.370 nan 0.000 0.478 206 A N 0.620 123.285 122.820 -0.259 0.000 1.877 206 A HA -0.136 4.185 4.320 0.001 0.000 0.216 206 A C 2.517 179.938 177.584 -0.272 0.000 1.186 206 A CA 1.213 53.122 52.037 -0.214 0.000 0.620 206 A CB -0.803 18.020 19.000 -0.296 0.000 0.822 206 A HN 0.138 nan 8.150 nan 0.000 0.443 207 V N 0.336 119.944 119.914 -0.509 0.000 2.295 207 V HA -0.288 3.832 4.120 0.001 0.000 0.246 207 V C 2.560 178.519 176.094 -0.225 0.000 1.049 207 V CA 2.441 64.488 62.300 -0.422 0.000 1.024 207 V CB -0.665 30.838 31.823 -0.532 0.000 0.648 207 V HN 0.679 nan 8.190 nan 0.000 0.447 208 K N 0.156 120.449 120.400 -0.178 0.000 2.032 208 K HA -0.211 4.109 4.320 0.001 0.000 0.209 208 K C 2.198 178.773 176.600 -0.042 0.000 1.048 208 K CA 1.730 57.964 56.287 -0.089 0.000 0.927 208 K CB -0.358 32.107 32.500 -0.057 0.000 0.712 208 K HN 0.430 nan 8.250 nan 0.000 0.441 209 A N 1.033 123.847 122.820 -0.010 0.000 1.933 209 A HA -0.156 4.165 4.320 0.001 0.000 0.218 209 A C 2.120 179.735 177.584 0.052 0.000 1.175 209 A CA 1.632 53.717 52.037 0.080 0.000 0.628 209 A CB -0.422 18.676 19.000 0.164 0.000 0.814 209 A HN 0.347 nan 8.150 nan 0.000 0.444 210 M N -1.122 118.409 119.600 -0.115 0.000 2.132 210 M HA -0.118 4.363 4.480 0.001 0.000 0.263 210 M C 2.169 178.306 176.300 -0.272 0.000 1.065 210 M CA 1.342 56.394 55.300 -0.413 0.000 1.122 210 M CB -0.337 32.031 32.600 -0.387 0.000 1.365 210 M HN 0.321 nan 8.290 nan 0.000 0.411 211 R N 0.078 120.492 120.500 -0.144 0.000 2.293 211 R HA -0.093 4.248 4.340 0.001 0.000 0.219 211 R C 2.089 178.368 176.300 -0.036 0.000 1.091 211 R CA 1.608 57.656 56.100 -0.087 0.000 1.004 211 R CB -0.651 29.608 30.300 -0.068 0.000 0.865 211 R HN 0.531 nan 8.270 nan 0.000 0.469 212 T N -1.796 112.757 114.554 -0.000 0.000 3.055 212 T HA 0.044 4.395 4.350 0.001 0.000 0.265 212 T C 1.156 175.899 174.700 0.072 0.000 1.111 212 T CA 0.266 62.394 62.100 0.047 0.000 1.118 212 T CB -0.107 68.814 68.868 0.088 0.000 0.909 212 T HN 0.296 nan 8.240 nan 0.000 0.501 213 L N 0.304 121.570 121.223 0.070 0.000 4.179 213 L HA -0.143 4.198 4.340 0.001 0.000 0.418 213 L C -0.484 176.528 176.870 0.237 0.000 1.168 213 L CA 0.644 55.558 54.840 0.122 0.000 0.972 213 L CB -2.810 39.285 42.059 0.060 0.000 2.005 213 L HN 0.385 nan 8.230 nan 0.000 0.935 214 T N -0.016 114.715 114.554 0.294 0.000 2.912 214 T HA 0.469 4.820 4.350 0.001 0.000 0.326 214 T C -2.242 172.559 174.700 0.168 0.000 1.080 214 T CA -1.113 61.103 62.100 0.194 0.000 1.000 214 T CB 1.756 70.690 68.868 0.111 0.000 1.008 214 T HN -0.133 nan 8.240 nan 0.000 0.473 215 P HA 0.129 nan 4.420 nan 0.000 0.269 215 P C 1.156 178.345 177.300 -0.183 0.000 1.209 215 P CA -0.242 62.555 63.100 -0.506 0.000 0.776 215 P CB 0.597 31.996 31.700 -0.502 0.000 0.876 216 T N -1.489 113.004 114.554 -0.102 0.000 3.035 216 T HA 0.057 4.408 4.350 0.001 0.000 0.259 216 T C 0.247 174.808 174.700 -0.232 0.000 1.078 216 T CA 0.773 62.869 62.100 -0.007 0.000 1.132 216 T CB -0.429 68.593 68.868 0.257 0.000 0.900 216 T HN 0.422 nan 8.240 nan 0.000 0.480 217 H N -0.528 118.489 119.070 -0.089 0.000 2.930 217 H HA 0.718 5.275 4.556 0.001 0.000 0.371 217 H C -1.179 174.064 175.328 -0.142 0.000 1.169 217 H CA -1.139 54.871 56.048 -0.063 0.000 1.157 217 H CB 1.736 31.527 29.762 0.049 0.000 1.789 217 H HN 0.134 nan 8.280 nan 0.000 0.547 218 I N 2.749 123.287 120.570 -0.053 0.000 2.531 218 I HA 0.374 4.544 4.170 0.001 0.000 0.283 218 I C -0.828 175.161 176.117 -0.213 0.000 1.083 218 I CA -0.889 60.309 61.300 -0.169 0.000 1.071 218 I CB 1.378 39.269 38.000 -0.182 0.000 1.210 218 I HN 0.375 nan 8.210 nan 0.000 0.450 219 V N 1.778 121.567 119.914 -0.207 0.000 3.102 219 V HA 0.660 4.780 4.120 0.001 0.000 0.312 219 V C -1.151 174.892 176.094 -0.085 0.000 1.135 219 V CA -0.732 61.440 62.300 -0.213 0.000 1.022 219 V CB 2.561 34.344 31.823 -0.066 0.000 1.056 219 V HN 0.314 nan 8.190 nan 0.000 0.436 220 F N 1.506 121.364 119.950 -0.154 0.000 2.421 220 F HA 0.590 5.117 4.527 0.001 0.000 0.337 220 F C 1.032 176.718 175.800 -0.191 0.000 1.105 220 F CA -0.859 57.024 58.000 -0.195 0.000 1.049 220 F CB 0.614 39.508 39.000 -0.176 0.000 1.139 220 F HN 0.895 nan 8.300 nan 0.000 0.479 221 N N 1.596 120.273 118.700 -0.040 0.000 2.727 221 N HA -0.200 4.540 4.740 0.001 0.000 0.249 221 N C 0.964 176.449 175.510 -0.042 0.000 1.048 221 N CA 1.333 54.325 53.050 -0.096 0.000 0.714 221 N CB -0.909 37.507 38.487 -0.119 0.000 0.959 221 N HN 1.114 nan 8.380 nan 0.000 0.544 222 G N -2.857 105.937 108.800 -0.009 0.000 2.234 222 G HA2 0.084 4.044 3.960 0.001 0.000 0.260 222 G HA3 0.084 4.044 3.960 0.001 0.000 0.260 222 G C 0.219 175.179 174.900 0.101 0.000 0.987 222 G CA 0.917 46.061 45.100 0.074 0.000 0.625 222 G HN 1.592 nan 8.290 nan 0.000 0.532 223 A N -1.435 121.400 122.820 0.025 0.000 2.608 223 A HA 0.754 5.075 4.320 0.001 0.000 0.292 223 A C -0.215 177.344 177.584 -0.042 0.000 1.066 223 A CA 0.118 52.154 52.037 -0.003 0.000 0.676 223 A CB 0.981 19.951 19.000 -0.051 0.000 1.277 223 A HN 1.445 nan 8.150 nan 0.000 0.413 224 V N 1.409 121.301 119.914 -0.037 0.000 2.617 224 V HA 0.384 4.505 4.120 0.001 0.000 0.304 224 V C 1.711 177.752 176.094 -0.088 0.000 1.040 224 V CA 1.941 64.200 62.300 -0.068 0.000 1.149 224 V CB 0.435 32.242 31.823 -0.026 0.000 0.914 224 V HN 2.459 nan 8.190 nan 0.000 0.487 225 G N 3.930 112.655 108.800 -0.124 0.000 2.187 225 G HA2 -0.278 3.683 3.960 0.001 0.000 0.261 225 G HA3 -0.278 3.683 3.960 0.001 0.000 0.261 225 G C 1.012 175.840 174.900 -0.120 0.000 1.000 225 G CA 0.633 45.655 45.100 -0.130 0.000 0.718 225 G HN 1.406 nan 8.290 nan 0.000 0.519 226 A N -0.643 122.110 122.820 -0.110 0.000 1.972 226 A HA 0.273 4.594 4.320 0.001 0.000 0.219 226 A C 1.817 179.336 177.584 -0.108 0.000 1.169 226 A CA 1.522 53.484 52.037 -0.125 0.000 0.635 226 A CB -0.099 18.841 19.000 -0.099 0.000 0.810 226 A HN 0.907 nan 8.150 nan 0.000 0.446 227 L N 1.285 122.455 121.223 -0.088 0.000 3.084 227 L HA 0.219 4.560 4.340 0.001 0.000 0.238 227 L C 0.294 177.091 176.870 -0.122 0.000 1.327 227 L CA -0.113 54.666 54.840 -0.101 0.000 1.094 227 L CB -0.374 41.611 42.059 -0.122 0.000 1.477 227 L HN 0.468 nan 8.230 nan 0.000 0.514 228 T N -4.389 110.109 114.554 -0.093 0.000 2.864 228 T HA 0.802 5.152 4.350 0.001 0.000 0.289 228 T C 0.632 175.359 174.700 0.046 0.000 1.082 228 T CA 0.006 62.044 62.100 -0.103 0.000 1.009 228 T CB 2.462 71.170 68.868 -0.266 0.000 1.234 228 T HN 0.324 nan 8.240 nan 0.000 0.526 229 G N 1.240 110.100 108.800 0.100 0.000 2.583 229 G HA2 -0.295 3.666 3.960 0.001 0.000 0.292 229 G HA3 -0.295 3.666 3.960 0.001 0.000 0.292 229 G C 0.390 175.342 174.900 0.086 0.000 1.203 229 G CA 0.667 45.831 45.100 0.106 0.000 0.987 229 G HN 0.834 nan 8.290 nan 0.000 0.554 230 D N 0.746 121.196 120.400 0.082 0.000 2.378 230 D HA 0.071 4.712 4.640 0.001 0.000 0.227 230 D C 1.533 177.720 176.300 -0.188 0.000 1.012 230 D CA 1.062 55.043 54.000 -0.032 0.000 0.905 230 D CB -0.144 40.618 40.800 -0.063 0.000 0.895 230 D HN 0.568 nan 8.370 nan 0.000 0.532 231 H N -0.840 118.228 119.070 -0.002 0.000 2.528 231 H HA 0.449 5.006 4.556 0.001 0.000 0.282 231 H C 0.319 175.581 175.328 -0.111 0.000 1.097 231 H CA -0.269 55.757 56.048 -0.037 0.000 1.121 231 H CB 0.400 30.134 29.762 -0.046 0.000 1.590 231 H HN -0.038 nan 8.280 nan 0.000 0.553 232 A N 1.051 123.862 122.820 -0.015 0.000 2.407 232 A HA 0.310 4.631 4.320 0.001 0.000 0.248 232 A C 0.227 177.669 177.584 -0.237 0.000 1.082 232 A CA -0.445 51.541 52.037 -0.084 0.000 0.785 232 A CB 0.183 19.204 19.000 0.035 0.000 1.020 232 A HN 0.370 nan 8.150 nan 0.000 0.489 233 L N 1.248 122.157 121.223 -0.523 0.000 2.464 233 L HA 0.411 4.751 4.340 0.001 0.000 0.264 233 L C 1.027 177.646 176.870 -0.418 0.000 1.199 233 L CA -0.085 54.220 54.840 -0.891 0.000 0.818 233 L CB 0.687 41.626 42.059 -1.868 0.000 1.102 233 L HN 0.928 nan 8.230 nan 0.000 0.473 234 T N -0.898 113.609 114.554 -0.078 0.000 2.916 234 T HA 0.904 5.255 4.350 0.001 0.000 0.292 234 T C -0.618 174.246 174.700 0.272 0.000 1.055 234 T CA -0.565 61.622 62.100 0.144 0.000 1.009 234 T CB 2.411 71.365 68.868 0.143 0.000 1.118 234 T HN 0.894 nan 8.240 nan 0.000 0.497 235 A N 0.241 123.110 122.820 0.082 0.000 2.540 235 A HA 0.946 5.267 4.320 0.001 0.000 0.291 235 A C -1.385 176.136 177.584 -0.107 0.000 1.083 235 A CA -0.668 51.342 52.037 -0.046 0.000 0.650 235 A CB 0.713 19.476 19.000 -0.394 0.000 1.292 235 A HN 1.912 nan 8.150 nan 0.000 0.435 236 A N -0.337 122.442 122.820 -0.068 0.000 2.475 236 A HA 0.709 5.029 4.320 0.001 0.000 0.301 236 A C -0.450 177.147 177.584 0.021 0.000 1.059 236 A CA -0.476 51.552 52.037 -0.015 0.000 0.710 236 A CB 1.052 20.066 19.000 0.024 0.000 1.288 236 A HN 1.765 nan 8.150 nan 0.000 0.408 237 V N 1.523 121.467 119.914 0.050 0.000 2.720 237 V HA 0.349 4.469 4.120 0.001 0.000 0.307 237 V C 1.668 177.797 176.094 0.059 0.000 1.071 237 V CA 2.320 64.669 62.300 0.082 0.000 1.199 237 V CB 0.385 32.250 31.823 0.069 0.000 0.900 237 V HN 2.219 nan 8.190 nan 0.000 0.494 238 G N 3.466 112.297 108.800 0.051 0.000 2.241 238 G HA2 -0.204 3.757 3.960 0.001 0.000 0.244 238 G HA3 -0.204 3.757 3.960 0.001 0.000 0.244 238 G C 0.116 175.034 174.900 0.030 0.000 0.998 238 G CA 0.155 45.270 45.100 0.024 0.000 0.621 238 G HN 0.666 nan 8.290 nan 0.000 0.519 239 E N 0.845 121.082 120.200 0.062 0.000 2.338 239 E HA 0.436 4.786 4.350 0.001 0.000 0.272 239 E C 0.325 176.944 176.600 0.032 0.000 1.029 239 E CA -0.410 56.028 56.400 0.063 0.000 0.872 239 E CB 0.614 30.368 29.700 0.090 0.000 1.015 239 E HN 0.341 nan 8.360 nan 0.000 0.417 240 R N 1.665 122.148 120.500 -0.029 0.000 2.221 240 R HA 0.328 4.669 4.340 0.001 0.000 0.327 240 R C -0.829 175.321 176.300 -0.249 0.000 1.033 240 R CA -0.421 55.546 56.100 -0.222 0.000 0.887 240 R CB 1.028 31.252 30.300 -0.127 0.000 1.057 240 R HN 0.190 nan 8.270 nan 0.000 0.455 241 V N 4.811 124.525 119.914 -0.333 0.000 2.540 241 V HA 0.330 4.450 4.120 0.001 0.000 0.302 241 V C -0.795 175.153 176.094 -0.243 0.000 1.035 241 V CA -0.956 61.264 62.300 -0.134 0.000 0.873 241 V CB 1.897 33.845 31.823 0.209 0.000 0.992 241 V HN 0.504 nan 8.190 nan 0.000 0.428 242 L N 5.941 127.040 121.223 -0.207 0.000 2.287 242 L HA 0.676 5.017 4.340 0.001 0.000 0.287 242 L C -0.545 176.316 176.870 -0.015 0.000 1.022 242 L CA 0.075 54.826 54.840 -0.147 0.000 0.814 242 L CB 1.631 43.423 42.059 -0.445 0.000 1.217 242 L HN 0.471 nan 8.230 nan 0.000 0.420 243 V N 6.252 126.237 119.914 0.118 0.000 2.334 243 V HA 0.376 4.497 4.120 0.001 0.000 0.281 243 V C -0.165 176.062 176.094 0.222 0.000 1.016 243 V CA -0.715 61.681 62.300 0.161 0.000 0.832 243 V CB 1.540 33.437 31.823 0.123 0.000 0.999 243 V HN 0.500 nan 8.190 nan 0.000 0.439 244 V N 4.884 124.921 119.914 0.205 0.000 2.461 244 V HA 0.358 4.478 4.120 0.001 0.000 0.275 244 V C -0.229 176.082 176.094 0.361 0.000 1.047 244 V CA -0.309 62.151 62.300 0.267 0.000 0.955 244 V CB 1.035 32.971 31.823 0.188 0.000 0.988 244 V HN 0.931 nan 8.190 nan 0.000 0.471 245 H N 2.954 122.185 119.070 0.268 0.000 2.589 245 H HA 0.668 5.225 4.556 0.001 0.000 0.351 245 H C -0.266 175.182 175.328 0.199 0.000 1.074 245 H CA -0.230 55.943 56.048 0.210 0.000 1.203 245 H CB 1.551 31.466 29.762 0.256 0.000 1.558 245 H HN 0.781 nan 8.280 nan 0.000 0.522 246 S N 4.596 120.501 115.700 0.342 0.000 2.570 246 S HA 0.434 4.905 4.470 0.001 0.000 0.286 246 S C -1.192 173.533 174.600 0.209 0.000 1.099 246 S CA -0.965 57.401 58.200 0.276 0.000 0.913 246 S CB 2.457 65.803 63.200 0.244 0.000 1.085 246 S HN 0.615 nan 8.310 nan 0.000 0.480 247 Q N 0.778 120.670 119.800 0.154 0.000 2.483 247 Q HA 0.489 4.829 4.340 0.001 0.000 0.245 247 Q C 0.054 176.092 176.000 0.064 0.000 0.902 247 Q CA -0.319 55.543 55.803 0.099 0.000 0.767 247 Q CB 1.546 30.353 28.738 0.115 0.000 1.341 247 Q HN 0.988 nan 8.270 nan 0.000 0.453 248 A N 3.080 125.913 122.820 0.021 0.000 2.206 248 A HA -0.028 4.292 4.320 0.001 0.000 0.211 248 A C 1.163 178.731 177.584 -0.027 0.000 1.158 248 A CA 1.547 53.579 52.037 -0.008 0.000 0.761 248 A CB 0.119 19.085 19.000 -0.057 0.000 0.801 248 A HN 0.630 nan 8.150 nan 0.000 0.473 249 N N -1.960 116.742 118.700 0.004 0.000 2.149 249 N HA 0.133 4.874 4.740 0.001 0.000 0.229 249 N C 0.116 175.654 175.510 0.047 0.000 1.284 249 N CA -0.039 53.020 53.050 0.015 0.000 0.864 249 N CB 0.559 39.060 38.487 0.023 0.000 1.169 249 N HN 0.324 nan 8.380 nan 0.000 0.478 250 R N 0.249 120.781 120.500 0.053 0.000 2.698 250 R HA 0.287 4.628 4.340 0.001 0.000 0.275 250 R C -1.428 174.899 176.300 0.045 0.000 1.001 250 R CA -0.633 55.501 56.100 0.057 0.000 0.896 250 R CB 0.972 31.316 30.300 0.074 0.000 1.218 250 R HN 0.025 nan 8.270 nan 0.000 0.462 251 D N 1.118 121.539 120.400 0.035 0.000 2.400 251 D HA 0.121 4.762 4.640 0.001 0.000 0.238 251 D C -0.149 176.154 176.300 0.004 0.000 1.157 251 D CA 0.707 54.721 54.000 0.022 0.000 0.889 251 D CB 1.502 42.311 40.800 0.015 0.000 1.199 251 D HN 0.420 nan 8.370 nan 0.000 0.436 252 T N -0.483 114.058 114.554 -0.021 0.000 2.841 252 T HA 0.594 4.945 4.350 0.001 0.000 0.296 252 T C -1.510 173.106 174.700 -0.141 0.000 1.166 252 T CA -0.975 61.085 62.100 -0.067 0.000 1.007 252 T CB 1.079 69.921 68.868 -0.044 0.000 1.253 252 T HN 0.522 nan 8.240 nan 0.000 0.511 253 R N 1.773 122.146 120.500 -0.212 0.000 2.734 253 R HA 0.389 4.729 4.340 0.001 0.000 0.268 253 R C -3.239 172.772 176.300 -0.481 0.000 1.785 253 R CA -1.757 54.166 56.100 -0.294 0.000 1.461 253 R CB 0.732 30.935 30.300 -0.162 0.000 1.308 253 R HN 0.314 nan 8.270 nan 0.000 0.586 254 P HA -0.016 nan 4.420 nan 0.000 0.267 254 P C -1.014 175.565 177.300 -1.202 0.000 1.200 254 P CA 0.302 62.779 63.100 -1.038 0.000 0.772 254 P CB 0.390 31.458 31.700 -1.052 0.000 0.855 255 H N 1.480 120.025 119.070 -0.875 0.000 3.086 255 H HA 0.515 5.071 4.556 0.001 0.000 0.353 255 H C -1.961 173.261 175.328 -0.176 0.000 1.134 255 H CA -0.849 54.903 56.048 -0.493 0.000 1.248 255 H CB 0.662 30.338 29.762 -0.143 0.000 1.878 255 H HN 0.169 nan 8.280 nan 0.000 0.527 256 L N 6.503 127.378 121.223 -0.581 0.000 2.264 256 L HA 0.436 4.777 4.340 0.001 0.000 0.287 256 L C -0.902 175.680 176.870 -0.479 0.000 1.039 256 L CA -0.271 54.442 54.840 -0.212 0.000 0.829 256 L CB 0.107 42.088 42.059 -0.131 0.000 1.211 256 L HN 0.663 nan 8.230 nan 0.000 0.427 257 I N 6.586 127.137 120.570 -0.032 0.000 2.581 257 I HA 0.234 4.405 4.170 0.001 0.000 0.285 257 I C 1.388 177.590 176.117 0.141 0.000 1.129 257 I CA 0.946 62.356 61.300 0.184 0.000 1.397 257 I CB 0.017 38.207 38.000 0.317 0.000 1.399 257 I HN 0.931 nan 8.210 nan 0.000 0.537 258 G N 4.128 112.960 108.800 0.054 0.000 2.194 258 G HA2 -0.151 3.810 3.960 0.001 0.000 0.236 258 G HA3 -0.151 3.810 3.960 0.001 0.000 0.236 258 G C 0.262 175.234 174.900 0.120 0.000 0.987 258 G CA -0.233 44.880 45.100 0.021 0.000 0.635 258 G HN 0.970 nan 8.290 nan 0.000 0.520 259 G N -1.423 107.329 108.800 -0.081 0.000 3.243 259 G HA2 0.792 4.753 3.960 0.001 0.000 0.248 259 G HA3 0.792 4.753 3.960 0.001 0.000 0.248 259 G C -0.880 173.503 174.900 -0.862 0.000 1.267 259 G CA -0.076 44.798 45.100 -0.377 0.000 0.906 259 G HN 0.632 nan 8.290 nan 0.000 0.592 260 H N -2.544 116.042 119.070 -0.806 0.000 2.928 260 H HA 0.570 5.127 4.556 0.001 0.000 0.285 260 H C -0.164 174.952 175.328 -0.353 0.000 1.438 260 H CA -0.147 55.707 56.048 -0.323 0.000 1.176 260 H CB 1.629 31.352 29.762 -0.066 0.000 1.864 260 H HN 0.810 nan 8.280 nan 0.000 0.567 261 G N 0.196 109.016 108.800 0.034 0.000 2.873 261 G HA2 0.171 4.131 3.960 0.001 0.000 0.340 261 G HA3 0.171 4.131 3.960 0.001 0.000 0.340 261 G C -0.287 174.530 174.900 -0.138 0.000 1.171 261 G CA -0.408 44.553 45.100 -0.232 0.000 1.113 261 G HN 0.548 nan 8.290 nan 0.000 0.471 262 D N 1.043 121.460 120.400 0.029 0.000 2.123 262 D HA -0.082 4.559 4.640 0.001 0.000 0.196 262 D C -0.163 175.744 176.300 -0.655 0.000 0.992 262 D CA 1.632 55.496 54.000 -0.227 0.000 0.833 262 D CB 0.121 40.869 40.800 -0.087 0.000 0.954 262 D HN 0.488 nan 8.370 nan 0.000 0.455 263 Y N -0.837 119.391 120.300 -0.121 0.000 2.354 263 Y HA 0.448 4.999 4.550 0.001 0.000 0.330 263 Y C -0.463 175.152 175.900 -0.475 0.000 1.011 263 Y CA -0.827 57.049 58.100 -0.372 0.000 1.099 263 Y CB 2.222 40.416 38.460 -0.442 0.000 1.179 263 Y HN -0.408 nan 8.280 nan 0.000 0.442 264 V N 2.699 122.297 119.914 -0.526 0.000 2.638 264 V HA 0.313 4.434 4.120 0.001 0.000 0.306 264 V C -1.134 174.688 176.094 -0.453 0.000 1.052 264 V CA -1.130 60.870 62.300 -0.500 0.000 0.885 264 V CB 2.208 33.588 31.823 -0.737 0.000 0.999 264 V HN 0.765 nan 8.190 nan 0.000 0.424 265 W N 3.642 124.916 121.300 -0.044 0.000 2.243 265 W HA 0.410 5.070 4.660 0.001 0.000 0.331 265 W C 1.021 177.523 176.519 -0.028 0.000 0.895 265 W CA -0.312 57.037 57.345 0.007 0.000 1.580 265 W CB 1.224 30.739 29.460 0.092 0.000 1.568 265 W HN 0.858 nan 8.180 nan 0.000 0.372 266 A N 1.909 124.789 122.820 0.100 0.000 1.892 266 A HA -0.236 4.084 4.320 0.001 0.000 0.218 266 A C 1.905 179.581 177.584 0.154 0.000 1.188 266 A CA 2.635 54.766 52.037 0.156 0.000 0.631 266 A CB -0.693 18.403 19.000 0.159 0.000 0.822 266 A HN 0.426 nan 8.150 nan 0.000 0.447 267 T N -4.091 110.524 114.554 0.102 0.000 3.206 267 T HA 0.431 4.782 4.350 0.001 0.000 0.253 267 T C 1.212 175.884 174.700 -0.047 0.000 1.042 267 T CA 0.906 63.031 62.100 0.042 0.000 0.931 267 T CB -0.139 68.745 68.868 0.027 0.000 1.029 267 T HN 1.716 nan 8.240 nan 0.000 0.564 268 G N 2.030 110.822 108.800 -0.014 0.000 2.233 268 G HA2 -0.255 3.706 3.960 0.001 0.000 0.270 268 G HA3 -0.255 3.706 3.960 0.001 0.000 0.270 268 G C -0.106 174.432 174.900 -0.603 0.000 1.011 268 G CA 0.015 44.980 45.100 -0.226 0.000 0.762 268 G HN 0.560 nan 8.290 nan 0.000 0.511 269 K N -0.008 120.170 120.400 -0.370 0.000 2.316 269 K HA 0.487 4.807 4.320 0.001 0.000 0.267 269 K C 0.667 177.139 176.600 -0.213 0.000 1.025 269 K CA -1.255 54.771 56.287 -0.436 0.000 0.896 269 K CB 0.648 33.019 32.500 -0.215 0.000 1.124 269 K HN -0.008 nan 8.250 nan 0.000 0.451 270 F N 1.023 120.851 119.950 -0.203 0.000 2.408 270 F HA -0.023 4.505 4.527 0.001 0.000 0.300 270 F C 1.782 177.597 175.800 0.025 0.000 1.090 270 F CA 0.648 58.510 58.000 -0.230 0.000 1.427 270 F CB -0.382 38.403 39.000 -0.357 0.000 1.070 270 F HN 0.356 nan 8.300 nan 0.000 0.549 271 R N 0.128 120.740 120.500 0.188 0.000 2.316 271 R HA -0.008 4.333 4.340 0.001 0.000 0.202 271 R C -0.005 176.399 176.300 0.173 0.000 1.029 271 R CA 0.275 56.470 56.100 0.159 0.000 1.018 271 R CB -0.309 30.055 30.300 0.107 0.000 0.888 271 R HN 0.212 nan 8.270 nan 0.000 0.471 272 N N 1.528 120.368 118.700 0.234 0.000 2.443 272 N HA 0.228 4.968 4.740 0.001 0.000 0.295 272 N C -2.546 173.147 175.510 0.304 0.000 1.076 272 N CA -1.586 51.595 53.050 0.218 0.000 0.919 272 N CB 1.438 40.037 38.487 0.188 0.000 1.176 272 N HN -0.065 nan 8.380 nan 0.000 0.487 273 P HA 0.173 nan 4.420 nan 0.000 0.271 273 P C -2.544 174.708 177.300 -0.080 0.000 1.218 273 P CA -0.823 62.336 63.100 0.099 0.000 0.780 273 P CB 0.131 31.852 31.700 0.036 0.000 0.901 274 P HA 0.156 nan 4.420 nan 0.000 0.274 274 P C -0.517 176.544 177.300 -0.398 0.000 1.237 274 P CA -0.013 62.592 63.100 -0.825 0.000 0.793 274 P CB 0.752 31.572 31.700 -1.467 0.000 0.977 275 D N 1.059 121.236 120.400 -0.372 0.000 2.256 275 D HA 0.310 4.951 4.640 0.001 0.000 0.250 275 D C 0.261 176.397 176.300 -0.275 0.000 1.093 275 D CA -0.032 53.828 54.000 -0.232 0.000 0.882 275 D CB 0.916 41.616 40.800 -0.166 0.000 1.185 275 D HN 0.234 nan 8.370 nan 0.000 0.437 276 L N 1.359 122.445 121.223 -0.228 0.000 2.344 276 L HA 0.237 4.578 4.340 0.001 0.000 0.272 276 L C 0.474 177.203 176.870 -0.235 0.000 1.035 276 L CA -0.822 53.835 54.840 -0.305 0.000 0.807 276 L CB 0.883 42.770 42.059 -0.287 0.000 1.237 276 L HN 0.289 nan 8.230 nan 0.000 0.442 277 D N 0.266 120.503 120.400 -0.272 0.000 2.811 277 D HA -0.151 4.490 4.640 0.001 0.000 0.231 277 D C 0.032 176.309 176.300 -0.040 0.000 1.157 277 D CA 0.817 54.708 54.000 -0.181 0.000 0.716 277 D CB -0.684 40.001 40.800 -0.191 0.000 1.077 277 D HN 0.506 nan 8.370 nan 0.000 0.428 278 Q N 0.213 120.005 119.800 -0.014 0.000 2.337 278 Q HA 0.053 4.393 4.340 0.001 0.000 0.270 278 Q C 1.795 178.006 176.000 0.352 0.000 1.002 278 Q CA 0.450 56.343 55.803 0.149 0.000 0.888 278 Q CB 0.712 29.532 28.738 0.135 0.000 1.222 278 Q HN 0.608 nan 8.270 nan 0.000 0.400 279 E N 0.686 121.095 120.200 0.349 0.000 2.166 279 E HA 0.057 4.407 4.350 0.001 0.000 0.192 279 E C -0.258 176.591 176.600 0.415 0.000 0.967 279 E CA 0.543 57.157 56.400 0.356 0.000 0.840 279 E CB 0.464 30.302 29.700 0.230 0.000 0.795 279 E HN 0.404 nan 8.360 nan 0.000 0.470 280 T N 0.371 115.122 114.554 0.328 0.000 2.923 280 T HA 0.470 4.821 4.350 0.001 0.000 0.311 280 T C -1.880 172.993 174.700 0.289 0.000 1.183 280 T CA -0.815 61.338 62.100 0.089 0.000 1.020 280 T CB 1.317 70.121 68.868 -0.107 0.000 1.165 280 T HN 0.402 nan 8.240 nan 0.000 0.482 281 W N 1.577 122.885 121.300 0.013 0.000 3.033 281 W HA 0.804 5.464 4.660 0.001 0.000 0.336 281 W C -1.786 174.724 176.519 -0.015 0.000 1.173 281 W CA -1.279 56.067 57.345 0.001 0.000 1.185 281 W CB 0.993 30.462 29.460 0.015 0.000 1.425 281 W HN 0.452 nan 8.180 nan 0.000 0.536 282 L N 4.272 125.594 121.223 0.164 0.000 2.257 282 L HA 0.522 4.862 4.340 0.001 0.000 0.290 282 L C -0.832 176.100 176.870 0.103 0.000 1.044 282 L CA -0.896 53.980 54.840 0.061 0.000 0.810 282 L CB 0.685 42.772 42.059 0.047 0.000 1.193 282 L HN 0.683 nan 8.230 nan 0.000 0.425 283 I N 7.723 128.323 120.570 0.050 0.000 2.330 283 I HA 0.269 4.440 4.170 0.001 0.000 0.286 283 I C -2.079 174.069 176.117 0.052 0.000 1.025 283 I CA -1.875 59.473 61.300 0.079 0.000 1.197 283 I CB 1.595 39.636 38.000 0.069 0.000 1.358 283 I HN 0.407 nan 8.210 nan 0.000 0.467 284 P HA 0.031 nan 4.420 nan 0.000 0.269 284 P C 0.371 177.710 177.300 0.064 0.000 1.209 284 P CA -0.147 62.985 63.100 0.053 0.000 0.776 284 P CB 0.537 32.267 31.700 0.052 0.000 0.876 285 G N 1.289 110.123 108.800 0.057 0.000 2.353 285 G HA2 0.314 4.275 3.960 0.001 0.000 0.239 285 G HA3 0.314 4.275 3.960 0.001 0.000 0.239 285 G C 0.938 175.890 174.900 0.088 0.000 1.295 285 G CA 0.283 45.422 45.100 0.065 0.000 0.884 285 G HN 0.902 nan 8.290 nan 0.000 0.537 286 G N 0.917 109.784 108.800 0.112 0.000 2.132 286 G HA2 -0.106 3.855 3.960 0.001 0.000 0.234 286 G HA3 -0.106 3.855 3.960 0.001 0.000 0.234 286 G C 0.297 175.352 174.900 0.258 0.000 0.989 286 G CA 0.560 45.789 45.100 0.214 0.000 0.676 286 G HN 1.251 nan 8.290 nan 0.000 0.522 287 T N -0.591 114.059 114.554 0.160 0.000 2.896 287 T HA 0.842 5.193 4.350 0.001 0.000 0.297 287 T C -0.192 174.572 174.700 0.107 0.000 1.108 287 T CA 0.149 62.328 62.100 0.132 0.000 1.004 287 T CB 2.238 71.159 68.868 0.089 0.000 1.159 287 T HN 1.548 nan 8.240 nan 0.000 0.499 288 A N 0.631 123.487 122.820 0.060 0.000 2.355 288 A HA 0.932 5.253 4.320 0.001 0.000 0.317 288 A C 0.056 177.673 177.584 0.055 0.000 1.094 288 A CA -0.604 51.477 52.037 0.074 0.000 0.764 288 A CB 1.406 20.417 19.000 0.019 0.000 1.230 288 A HN 1.114 nan 8.150 nan 0.000 0.448 289 G N -0.464 108.434 108.800 0.164 0.000 2.630 289 G HA2 0.833 4.794 3.960 0.001 0.000 0.296 289 G HA3 0.833 4.794 3.960 0.001 0.000 0.296 289 G C -0.779 174.279 174.900 0.263 0.000 1.285 289 G CA -0.128 45.091 45.100 0.198 0.000 0.958 289 G HN 1.761 nan 8.290 nan 0.000 0.479 290 A N -0.904 122.100 122.820 0.307 0.000 2.427 290 A HA 0.893 5.214 4.320 0.001 0.000 0.298 290 A C -0.425 177.381 177.584 0.369 0.000 1.036 290 A CA -0.046 52.211 52.037 0.366 0.000 0.701 290 A CB 1.600 20.836 19.000 0.394 0.000 1.250 290 A HN 2.079 nan 8.150 nan 0.000 0.412 291 A N 1.410 124.399 122.820 0.281 0.000 2.343 291 A HA 0.765 5.086 4.320 0.001 0.000 0.316 291 A C -1.311 176.434 177.584 0.268 0.000 1.104 291 A CA -0.387 51.712 52.037 0.102 0.000 0.768 291 A CB 0.738 19.678 19.000 -0.100 0.000 1.213 291 A HN 1.398 nan 8.150 nan 0.000 0.456 292 F N 2.732 122.771 119.950 0.147 0.000 2.427 292 F HA 0.688 5.215 4.527 0.001 0.000 0.346 292 F C -1.138 174.780 175.800 0.197 0.000 1.120 292 F CA -0.588 57.544 58.000 0.220 0.000 1.033 292 F CB 1.229 40.431 39.000 0.337 0.000 1.126 292 F HN 0.599 nan 8.300 nan 0.000 0.462 293 Y N 3.431 123.626 120.300 -0.175 0.000 2.504 293 Y HA 0.490 5.040 4.550 0.001 0.000 0.344 293 Y C -1.155 174.530 175.900 -0.358 0.000 1.023 293 Y CA -0.966 57.002 58.100 -0.220 0.000 1.020 293 Y CB 2.066 40.276 38.460 -0.417 0.000 1.282 293 Y HN 0.517 nan 8.280 nan 0.000 0.454 294 T N 6.870 120.891 114.554 -0.889 0.000 2.772 294 T HA 0.391 4.742 4.350 0.001 0.000 0.288 294 T C -0.783 173.286 174.700 -1.051 0.000 0.994 294 T CA -0.286 61.421 62.100 -0.654 0.000 0.951 294 T CB -0.262 68.450 68.868 -0.260 0.000 0.933 294 T HN 0.352 nan 8.240 nan 0.000 0.447 295 F N 2.885 122.494 119.950 -0.569 0.000 2.529 295 F HA 0.260 4.787 4.527 0.001 0.000 0.365 295 F C 1.787 177.462 175.800 -0.207 0.000 1.102 295 F CA -0.119 57.662 58.000 -0.364 0.000 1.271 295 F CB 0.705 39.586 39.000 -0.198 0.000 1.120 295 F HN 0.323 nan 8.300 nan 0.000 0.579 296 R N 0.798 121.344 120.500 0.077 0.000 2.521 296 R HA 0.195 4.536 4.340 0.001 0.000 0.289 296 R C -0.497 175.824 176.300 0.035 0.000 0.936 296 R CA 0.137 56.252 56.100 0.025 0.000 1.089 296 R CB 0.554 30.834 30.300 -0.032 0.000 1.348 296 R HN 0.558 nan 8.270 nan 0.000 0.536 297 Q N 0.905 120.815 119.800 0.184 0.000 2.331 297 Q HA 0.450 4.791 4.340 0.001 0.000 0.272 297 Q C -2.550 173.657 176.000 0.344 0.000 1.062 297 Q CA -1.924 53.937 55.803 0.096 0.000 0.806 297 Q CB 3.418 32.127 28.738 -0.048 0.000 1.312 297 Q HN -0.051 nan 8.270 nan 0.000 0.431 298 P HA 0.554 nan 4.420 nan 0.000 0.279 298 P C 0.031 177.561 177.300 0.383 0.000 1.276 298 P CA 0.221 63.515 63.100 0.323 0.000 0.801 298 P CB 1.198 33.052 31.700 0.257 0.000 1.127 299 G N -1.534 107.440 108.800 0.290 0.000 2.422 299 G HA2 -0.033 3.927 3.960 0.001 0.000 0.607 299 G HA3 -0.033 3.927 3.960 0.001 0.000 0.607 299 G C -1.318 173.726 174.900 0.240 0.000 1.270 299 G CA -0.582 44.645 45.100 0.213 0.000 0.992 299 G HN 0.439 nan 8.290 nan 0.000 0.499 300 V N 0.753 120.743 119.914 0.126 0.000 2.546 300 V HA 0.630 4.751 4.120 0.001 0.000 0.284 300 V C -0.359 175.812 176.094 0.129 0.000 1.050 300 V CA -0.142 62.245 62.300 0.146 0.000 0.981 300 V CB 0.906 32.730 31.823 0.002 0.000 0.990 300 V HN 0.624 nan 8.190 nan 0.000 0.474 301 Y N 1.796 122.199 120.300 0.172 0.000 2.485 301 Y HA 0.733 5.284 4.550 0.001 0.000 0.345 301 Y C 0.291 176.360 175.900 0.281 0.000 0.998 301 Y CA -0.862 57.381 58.100 0.238 0.000 1.059 301 Y CB 2.054 40.712 38.460 0.331 0.000 1.234 301 Y HN 0.674 nan 8.280 nan 0.000 0.461 302 A N 2.340 125.423 122.820 0.439 0.000 2.288 302 A HA 0.538 4.858 4.320 0.001 0.000 0.320 302 A C -2.012 175.870 177.584 0.496 0.000 1.217 302 A CA -0.569 51.753 52.037 0.474 0.000 0.840 302 A CB 0.144 19.393 19.000 0.414 0.000 1.179 302 A HN 0.666 nan 8.150 nan 0.000 0.504 303 Y N 3.637 124.173 120.300 0.392 0.000 2.353 303 Y HA 0.522 5.073 4.550 0.001 0.000 0.340 303 Y C -0.125 175.975 175.900 0.335 0.000 0.972 303 Y CA -0.476 57.826 58.100 0.336 0.000 1.157 303 Y CB 1.257 39.933 38.460 0.360 0.000 1.157 303 Y HN 0.868 nan 8.280 nan 0.000 0.495 304 V N 3.363 123.180 119.914 -0.162 0.000 3.181 304 V HA 0.553 4.674 4.120 0.001 0.000 0.308 304 V C -1.115 174.856 176.094 -0.205 0.000 1.214 304 V CA -1.243 60.974 62.300 -0.137 0.000 1.053 304 V CB 1.995 33.658 31.823 -0.267 0.000 1.069 304 V HN 0.801 nan 8.190 nan 0.000 0.441 305 N N 1.150 119.764 118.700 -0.144 0.000 2.430 305 N HA 0.166 4.907 4.740 0.001 0.000 0.265 305 N C 0.404 175.801 175.510 -0.189 0.000 1.100 305 N CA 0.037 53.001 53.050 -0.143 0.000 0.961 305 N CB 0.468 38.885 38.487 -0.117 0.000 1.075 305 N HN 0.962 nan 8.380 nan 0.000 0.478 306 H N 3.009 121.953 119.070 -0.209 0.000 2.572 306 H HA 0.006 4.563 4.556 0.001 0.000 0.278 306 H C -0.419 174.831 175.328 -0.131 0.000 1.050 306 H CA 0.243 56.183 56.048 -0.179 0.000 1.168 306 H CB -0.179 29.441 29.762 -0.236 0.000 1.316 306 H HN 0.631 nan 8.280 nan 0.000 0.610 307 N N 0.755 119.415 118.700 -0.066 0.000 2.469 307 N HA 0.042 4.783 4.740 0.001 0.000 0.239 307 N C 1.118 176.566 175.510 -0.103 0.000 1.053 307 N CA -0.296 52.729 53.050 -0.042 0.000 0.937 307 N CB 0.454 38.912 38.487 -0.049 0.000 1.163 307 N HN 0.160 nan 8.380 nan 0.000 0.509 308 L N 3.248 124.417 121.223 -0.090 0.000 2.261 308 L HA -0.194 4.146 4.340 0.001 0.000 0.216 308 L C 1.678 178.567 176.870 0.031 0.000 1.114 308 L CA 0.913 55.735 54.840 -0.031 0.000 0.777 308 L CB -0.354 41.724 42.059 0.030 0.000 0.910 308 L HN 0.729 nan 8.230 nan 0.000 0.440 309 I N -0.398 120.164 120.570 -0.014 0.000 2.233 309 I HA -0.210 3.960 4.170 0.001 0.000 0.243 309 I C 2.390 178.466 176.117 -0.069 0.000 1.093 309 I CA 1.155 62.445 61.300 -0.017 0.000 1.380 309 I CB -0.278 37.708 38.000 -0.023 0.000 1.067 309 I HN 0.238 nan 8.210 nan 0.000 0.413 310 E N 1.203 121.340 120.200 -0.105 0.000 2.153 310 E HA -0.204 4.147 4.350 0.001 0.000 0.194 310 E C 2.222 178.675 176.600 -0.244 0.000 0.988 310 E CA 1.265 57.574 56.400 -0.152 0.000 0.811 310 E CB -0.137 29.481 29.700 -0.136 0.000 0.746 310 E HN 0.531 nan 8.360 nan 0.000 0.466 311 A N 0.943 123.578 122.820 -0.308 0.000 1.831 311 A HA -0.078 4.243 4.320 0.001 0.000 0.213 311 A C 1.751 178.986 177.584 -0.582 0.000 1.223 311 A CA 0.932 52.636 52.037 -0.554 0.000 0.604 311 A CB -0.666 17.882 19.000 -0.754 0.000 0.878 311 A HN 0.156 nan 8.150 nan 0.000 0.450 312 F N -0.208 119.656 119.950 -0.143 0.000 2.615 312 F HA 0.102 4.629 4.527 0.001 0.000 0.297 312 F C 2.361 178.104 175.800 -0.095 0.000 1.124 312 F CA 0.920 58.857 58.000 -0.106 0.000 1.451 312 F CB 0.175 39.125 39.000 -0.084 0.000 1.103 312 F HN 0.184 nan 8.300 nan 0.000 0.569 313 E N -0.337 119.875 120.200 0.020 0.000 2.206 313 E HA 0.189 4.540 4.350 0.001 0.000 0.195 313 E C 2.202 178.755 176.600 -0.078 0.000 0.935 313 E CA 0.521 56.911 56.400 -0.016 0.000 0.875 313 E CB -0.126 29.563 29.700 -0.018 0.000 0.841 313 E HN 0.311 nan 8.360 nan 0.000 0.477 314 L N -0.662 120.489 121.223 -0.120 0.000 2.509 314 L HA 0.224 4.565 4.340 0.001 0.000 0.222 314 L C 1.360 178.133 176.870 -0.160 0.000 1.123 314 L CA 0.766 55.516 54.840 -0.150 0.000 0.856 314 L CB 0.186 42.154 42.059 -0.151 0.000 0.985 314 L HN 0.290 nan 8.230 nan 0.000 0.456 315 G N -0.163 108.506 108.800 -0.218 0.000 2.205 315 G HA2 -0.198 3.763 3.960 0.001 0.000 0.180 315 G HA3 -0.198 3.763 3.960 0.001 0.000 0.180 315 G C 0.490 175.087 174.900 -0.505 0.000 1.004 315 G CA -0.130 44.808 45.100 -0.270 0.000 0.670 315 G HN 0.326 nan 8.290 nan 0.000 0.496 316 A N 0.286 122.730 122.820 -0.626 0.000 3.063 316 A HA 0.836 5.157 4.320 0.001 0.000 0.263 316 A C 0.728 177.566 177.584 -1.243 0.000 1.736 316 A CA 1.334 52.694 52.037 -1.128 0.000 1.408 316 A CB -0.820 17.773 19.000 -0.679 0.000 1.108 316 A HN 2.093 nan 8.150 nan 0.000 0.621 317 A N 0.134 122.310 122.820 -1.074 0.000 2.517 317 A HA 0.806 5.127 4.320 0.001 0.000 0.297 317 A C -0.049 177.446 177.584 -0.149 0.000 1.050 317 A CA 0.095 51.830 52.037 -0.504 0.000 0.694 317 A CB 1.060 19.708 19.000 -0.588 0.000 1.277 317 A HN 1.443 nan 8.150 nan 0.000 0.400 318 G N -0.037 108.895 108.800 0.220 0.000 2.798 318 G HA2 0.715 4.676 3.960 0.001 0.000 0.286 318 G HA3 0.715 4.676 3.960 0.001 0.000 0.286 318 G C -1.245 173.820 174.900 0.275 0.000 1.389 318 G CA -0.537 44.658 45.100 0.159 0.000 0.894 318 G HN 0.842 nan 8.290 nan 0.000 0.488 319 H N -1.431 117.693 119.070 0.091 0.000 2.747 319 H HA 0.546 5.103 4.556 0.001 0.000 0.371 319 H C -1.405 173.932 175.328 0.015 0.000 1.161 319 H CA -0.551 55.579 56.048 0.137 0.000 1.167 319 H CB 2.793 32.626 29.762 0.118 0.000 1.732 319 H HN 0.289 nan 8.280 nan 0.000 0.544 320 F N 1.079 121.174 119.950 0.243 0.000 2.508 320 F HA 0.381 4.909 4.527 0.001 0.000 0.325 320 F C -0.251 175.614 175.800 0.107 0.000 1.090 320 F CA -0.705 57.344 58.000 0.082 0.000 0.945 320 F CB 1.768 40.773 39.000 0.007 0.000 1.156 320 F HN 0.201 nan 8.300 nan 0.000 0.463 321 K N 3.105 123.637 120.400 0.220 0.000 2.483 321 K HA 0.597 4.918 4.320 0.001 0.000 0.256 321 K C -1.555 175.107 176.600 0.103 0.000 0.961 321 K CA -0.631 55.753 56.287 0.162 0.000 0.873 321 K CB 2.124 34.688 32.500 0.106 0.000 1.107 321 K HN 0.288 nan 8.250 nan 0.000 0.432 322 V N 2.618 122.595 119.914 0.105 0.000 2.417 322 V HA 0.284 4.405 4.120 0.001 0.000 0.291 322 V C 0.409 176.547 176.094 0.073 0.000 1.024 322 V CA -0.831 61.467 62.300 -0.005 0.000 0.861 322 V CB 1.499 33.253 31.823 -0.114 0.000 0.985 322 V HN 0.878 nan 8.190 nan 0.000 0.436 323 T N 1.325 115.906 114.554 0.045 0.000 2.902 323 T HA 0.901 5.252 4.350 0.001 0.000 0.280 323 T C 0.273 175.019 174.700 0.078 0.000 0.992 323 T CA 0.155 62.296 62.100 0.069 0.000 1.015 323 T CB 1.735 70.635 68.868 0.054 0.000 1.044 323 T HN 1.793 nan 8.240 nan 0.000 0.520 324 G N 0.406 109.259 108.800 0.089 0.000 2.347 324 G HA2 0.164 4.124 3.960 0.001 0.000 0.341 324 G HA3 0.164 4.124 3.960 0.001 0.000 0.341 324 G C -1.511 173.460 174.900 0.118 0.000 1.287 324 G CA -1.042 44.112 45.100 0.090 0.000 0.984 324 G HN 0.867 nan 8.290 nan 0.000 0.526 325 E N -0.114 120.150 120.200 0.106 0.000 2.266 325 E HA 0.235 4.585 4.350 0.001 0.000 0.277 325 E C -0.231 176.467 176.600 0.164 0.000 1.018 325 E CA -0.671 55.809 56.400 0.133 0.000 0.840 325 E CB 1.734 31.489 29.700 0.093 0.000 1.082 325 E HN 0.503 nan 8.360 nan 0.000 0.395 326 W N 3.815 125.146 121.300 0.052 0.000 2.190 326 W HA 0.057 4.718 4.660 0.001 0.000 0.330 326 W C -0.352 176.198 176.519 0.052 0.000 1.299 326 W CA -0.085 57.293 57.345 0.055 0.000 1.215 326 W CB 0.804 30.289 29.460 0.043 0.000 1.147 326 W HN 0.420 nan 8.180 nan 0.000 0.563 327 N N 4.452 122.668 118.700 -0.807 0.000 2.546 327 N HA 0.018 4.759 4.740 0.001 0.000 0.238 327 N C 0.301 175.529 175.510 -0.471 0.000 0.984 327 N CA -0.050 52.720 53.050 -0.468 0.000 0.935 327 N CB 0.480 38.747 38.487 -0.367 0.000 1.122 327 N HN 0.372 nan 8.380 nan 0.000 0.510 328 D N 1.577 121.959 120.400 -0.030 0.000 2.310 328 D HA -0.146 4.495 4.640 0.001 0.000 0.212 328 D C 0.821 177.168 176.300 0.077 0.000 0.965 328 D CA 0.790 54.900 54.000 0.183 0.000 0.879 328 D CB 0.429 41.375 40.800 0.243 0.000 0.921 328 D HN 0.659 nan 8.370 nan 0.000 0.510 329 D N 0.252 120.652 120.400 0.000 0.000 2.123 329 D HA -0.059 4.582 4.640 0.001 0.000 0.200 329 D C 2.237 178.531 176.300 -0.011 0.000 0.976 329 D CA 0.571 54.573 54.000 0.002 0.000 0.831 329 D CB 0.051 40.843 40.800 -0.012 0.000 0.974 329 D HN 0.103 nan 8.370 nan 0.000 0.469 330 L N -0.939 120.244 121.223 -0.067 0.000 2.072 330 L HA 0.099 4.440 4.340 0.001 0.000 0.205 330 L C 1.130 177.994 176.870 -0.010 0.000 1.079 330 L CA 0.486 55.287 54.840 -0.064 0.000 0.752 330 L CB -0.075 41.900 42.059 -0.140 0.000 0.906 330 L HN 0.213 nan 8.230 nan 0.000 0.436 331 M N -1.427 118.182 119.600 0.015 0.000 2.414 331 M HA 0.342 4.823 4.480 0.001 0.000 0.287 331 M C -1.469 175.075 176.300 0.407 0.000 1.181 331 M CA -0.158 55.259 55.300 0.194 0.000 0.933 331 M CB 2.477 35.232 32.600 0.259 0.000 1.732 331 M HN -0.205 nan 8.290 nan 0.000 0.486 332 T N 1.315 116.053 114.554 0.306 0.000 2.893 332 T HA 0.365 4.716 4.350 0.001 0.000 0.337 332 T C -1.831 172.948 174.700 0.132 0.000 1.587 332 T CA -0.393 61.869 62.100 0.271 0.000 1.066 332 T CB 1.883 70.888 68.868 0.228 0.000 1.414 332 T HN 0.724 nan 8.240 nan 0.000 0.488 333 S N 2.218 117.957 115.700 0.064 0.000 2.489 333 S HA 0.570 5.040 4.470 0.001 0.000 0.277 333 S C -0.144 174.472 174.600 0.027 0.000 1.230 333 S CA -0.532 57.682 58.200 0.024 0.000 1.053 333 S CB 0.203 63.389 63.200 -0.023 0.000 0.955 333 S HN 0.580 nan 8.310 nan 0.000 0.488 334 V N 6.925 126.856 119.914 0.027 0.000 2.427 334 V HA 0.225 4.346 4.120 0.001 0.000 0.268 334 V C 0.494 176.596 176.094 0.013 0.000 1.046 334 V CA -0.367 61.948 62.300 0.025 0.000 0.970 334 V CB 0.162 32.001 31.823 0.026 0.000 1.001 334 V HN 0.941 nan 8.190 nan 0.000 0.476 335 V N 0.000 119.921 119.914 0.012 0.000 2.409 335 V HA 0.000 4.121 4.120 0.001 0.000 0.244 335 V CA 0.000 62.303 62.300 0.006 0.000 1.235 335 V CB 0.000 31.828 31.823 0.008 0.000 1.184 335 V HN 0.000 nan 8.190 nan 0.000 0.556