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 2hb0_1_B DATA FIRST_RESID 23 DATA SEQUENCE ADKNPGSENM TNTIGPHDRG GSSPIYNILN SYLTAYNGSH HLYDRMSFLc DATA SEQUENCE LSSQNTLNGA cPSSDAPGTA TIDGETNITL QFTEKRSLIK RELQIKGYKQ DATA SEQUENCE FLFKNANcPS KLALNSSHFQ cNREQASGAT LSLYIPAGEL NKLPFGGVWN DATA SEQUENCE AVLKLNVKRR YDTTYGTYTI NITVNLTDKG NIQIWLPQFK SNARVDLNLR DATA SEQUENCE PTGGGTYIGR NSVDMcFYDG YSTNSSSLEI RFQDDNSKSD GKFYLKKIND DATA SEQUENCE DSKELVYTLS LLLAGKNLTP TNGQALNINT ASLETNWNRI TAVTMPEISV DATA SEQUENCE PVLcWPGRLQ LDAKVKNPEA GQYMGNIKIT FTPSSQTLDN KQVEKNITVT DATA SEQUENCE ASVDP 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 23 A HA 0.000 nan 4.320 nan 0.000 0.244 23 A C 0.000 177.582 177.584 -0.004 0.000 1.274 23 A CA 0.000 52.000 52.037 -0.062 0.000 0.836 23 A CB 0.000 18.965 19.000 -0.059 0.000 0.831 24 D N 1.036 121.482 120.400 0.078 0.000 2.362 24 D HA 0.473 5.113 4.640 -0.000 0.000 0.242 24 D C -0.024 176.311 176.300 0.060 0.000 1.132 24 D CA 0.615 54.701 54.000 0.143 0.000 0.907 24 D CB 1.027 41.881 40.800 0.090 0.000 1.195 24 D HN 0.555 nan 8.370 nan 0.000 0.429 25 K N 1.287 121.718 120.400 0.051 0.000 2.553 25 K HA 0.238 4.558 4.320 -0.000 0.000 0.250 25 K C -1.361 175.156 176.600 -0.138 0.000 0.953 25 K CA -0.708 55.552 56.287 -0.046 0.000 0.800 25 K CB 1.117 33.564 32.500 -0.089 0.000 1.243 25 K HN 0.204 nan 8.250 nan 0.000 0.435 26 N N 4.717 123.342 118.700 -0.125 0.000 2.426 26 N HA 0.343 5.083 4.740 -0.000 0.000 0.275 26 N C -2.522 172.819 175.510 -0.282 0.000 1.019 26 N CA -1.389 51.532 53.050 -0.216 0.000 0.941 26 N CB 1.397 39.862 38.487 -0.036 0.000 1.123 26 N HN 0.448 nan 8.380 nan 0.000 0.486 27 P HA 0.312 nan 4.420 nan 0.000 0.272 27 P C 0.122 177.355 177.300 -0.111 0.000 1.223 27 P CA -0.144 62.742 63.100 -0.357 0.000 0.784 27 P CB 0.805 32.073 31.700 -0.720 0.000 0.923 28 G N -0.184 108.671 108.800 0.090 0.000 2.430 28 G HA2 0.365 4.325 3.960 -0.000 0.000 0.300 28 G HA3 0.365 4.325 3.960 -0.000 0.000 0.300 28 G C -1.217 173.836 174.900 0.256 0.000 1.330 28 G CA -0.520 44.672 45.100 0.153 0.000 0.813 28 G HN 0.370 nan 8.290 nan 0.000 0.487 29 S N -0.033 115.787 115.700 0.200 0.000 2.576 29 S HA 0.525 4.995 4.470 -0.000 0.000 0.276 29 S C -0.202 174.504 174.600 0.178 0.000 1.339 29 S CA 0.024 58.359 58.200 0.224 0.000 1.039 29 S CB 0.915 64.196 63.200 0.135 0.000 0.902 29 S HN 0.479 nan 8.310 nan 0.000 0.516 30 E N 1.120 121.407 120.200 0.145 0.000 2.390 30 E HA 0.295 4.645 4.350 -0.000 0.000 0.277 30 E C -1.145 175.403 176.600 -0.087 0.000 0.939 30 E CA -0.774 55.586 56.400 -0.067 0.000 0.769 30 E CB 1.638 31.131 29.700 -0.345 0.000 1.251 30 E HN 0.441 nan 8.360 nan 0.000 0.450 31 N N 2.671 121.312 118.700 -0.098 0.000 2.399 31 N HA 0.453 5.193 4.740 -0.000 0.000 0.280 31 N C -1.391 174.047 175.510 -0.121 0.000 1.008 31 N CA -0.112 52.889 53.050 -0.080 0.000 0.894 31 N CB 1.126 39.590 38.487 -0.039 0.000 1.273 31 N HN 0.475 nan 8.380 nan 0.000 0.486 32 M N 0.555 120.074 119.600 -0.134 0.000 2.658 32 M HA 0.377 4.857 4.480 -0.000 0.000 0.295 32 M C -0.317 175.925 176.300 -0.097 0.000 1.248 32 M CA -0.763 54.448 55.300 -0.148 0.000 0.843 32 M CB 2.398 34.853 32.600 -0.240 0.000 1.749 32 M HN 0.312 nan 8.290 nan 0.000 0.464 33 T N 0.920 115.423 114.554 -0.084 0.000 2.971 33 T HA 0.514 4.864 4.350 -0.000 0.000 0.304 33 T C -1.660 173.015 174.700 -0.043 0.000 1.038 33 T CA -0.726 61.343 62.100 -0.052 0.000 1.007 33 T CB 0.907 69.753 68.868 -0.036 0.000 1.055 33 T HN 0.710 nan 8.240 nan 0.000 0.451 34 N N 2.499 121.184 118.700 -0.024 0.000 2.258 34 N HA 0.453 5.193 4.740 -0.000 0.000 0.299 34 N C -1.323 174.190 175.510 0.005 0.000 1.047 34 N CA -0.537 52.506 53.050 -0.011 0.000 0.814 34 N CB 2.446 40.930 38.487 -0.004 0.000 1.413 34 N HN 0.511 nan 8.380 nan 0.000 0.478 35 T N 2.384 116.940 114.554 0.003 0.000 2.833 35 T HA 0.410 4.760 4.350 -0.000 0.000 0.297 35 T C 0.029 174.714 174.700 -0.026 0.000 1.015 35 T CA -0.478 61.626 62.100 0.006 0.000 0.963 35 T CB 0.626 69.504 68.868 0.017 0.000 0.955 35 T HN 0.239 nan 8.240 nan 0.000 0.449 36 I N 3.387 123.910 120.570 -0.080 0.000 2.353 36 I HA 0.667 4.837 4.170 -0.000 0.000 0.293 36 I C 1.137 177.146 176.117 -0.181 0.000 0.992 36 I CA 0.274 61.422 61.300 -0.254 0.000 1.268 36 I CB 0.336 38.037 38.000 -0.498 0.000 1.387 36 I HN 0.941 nan 8.210 nan 0.000 0.478 37 G N 8.239 116.966 108.800 -0.122 0.000 2.472 37 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.205 37 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.205 37 G C -2.666 172.270 174.900 0.061 0.000 1.270 37 G CA -0.963 44.154 45.100 0.029 0.000 0.974 37 G HN 0.550 nan 8.290 nan 0.000 0.542 38 P HA 0.340 nan 4.420 nan 0.000 0.265 38 P C -0.828 176.550 177.300 0.130 0.000 1.193 38 P CA 0.575 63.720 63.100 0.074 0.000 0.765 38 P CB 0.880 32.587 31.700 0.012 0.000 0.823 39 H N 0.694 119.792 119.070 0.046 0.000 2.489 39 H HA 0.388 4.944 4.556 0.000 0.000 0.343 39 H C -1.109 174.250 175.328 0.052 0.000 1.086 39 H CA -0.678 55.415 56.048 0.075 0.000 1.198 39 H CB 1.077 30.911 29.762 0.119 0.000 1.490 39 H HN 0.294 nan 8.280 nan 0.000 0.504 40 D N 2.435 122.483 120.400 -0.587 0.000 2.225 40 D HA 0.178 4.818 4.640 -0.000 0.000 0.248 40 D C 0.787 176.750 176.300 -0.560 0.000 1.096 40 D CA -0.442 53.305 54.000 -0.421 0.000 0.863 40 D CB 0.983 41.643 40.800 -0.233 0.000 1.156 40 D HN 0.610 nan 8.370 nan 0.000 0.450 41 R N 2.447 122.817 120.500 -0.217 0.000 2.249 41 R HA -0.065 4.275 4.340 -0.000 0.000 0.230 41 R C 1.886 178.156 176.300 -0.051 0.000 1.121 41 R CA 0.901 56.956 56.100 -0.076 0.000 0.997 41 R CB -0.072 30.244 30.300 0.027 0.000 0.867 41 R HN 0.523 nan 8.270 nan 0.000 0.465 42 G N 0.420 109.173 108.800 -0.079 0.000 2.598 42 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.215 42 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.215 42 G C 0.492 175.380 174.900 -0.020 0.000 1.131 42 G CA 0.561 45.641 45.100 -0.033 0.000 0.785 42 G HN 0.388 nan 8.290 nan 0.000 0.539 43 G N -0.856 107.920 108.800 -0.039 0.000 2.498 43 G HA2 0.452 4.412 3.960 -0.000 0.000 0.312 43 G HA3 0.452 4.412 3.960 -0.000 0.000 0.312 43 G C -0.684 174.322 174.900 0.177 0.000 1.230 43 G CA -0.225 44.905 45.100 0.050 0.000 0.968 43 G HN 0.138 nan 8.290 nan 0.000 0.481 44 S N -0.348 115.438 115.700 0.143 0.000 2.564 44 S HA 0.427 4.897 4.470 -0.000 0.000 0.278 44 S C 1.010 175.670 174.600 0.099 0.000 1.333 44 S CA -0.201 58.069 58.200 0.117 0.000 1.048 44 S CB 0.229 63.452 63.200 0.039 0.000 0.900 44 S HN 1.201 nan 8.310 nan 0.000 0.505 45 S N 5.861 121.531 115.700 -0.050 0.000 2.548 45 S HA 0.495 4.965 4.470 -0.000 0.000 0.277 45 S C -2.361 172.068 174.600 -0.285 0.000 1.315 45 S CA -1.077 56.904 58.200 -0.365 0.000 1.050 45 S CB 0.843 63.819 63.200 -0.374 0.000 0.918 45 S HN 0.657 nan 8.310 nan 0.000 0.497 46 P HA 0.383 nan 4.420 nan 0.000 0.279 46 P C -0.107 176.865 177.300 -0.546 0.000 1.276 46 P CA -0.997 61.853 63.100 -0.416 0.000 0.801 46 P CB 0.576 32.022 31.700 -0.424 0.000 1.127 47 I N 0.477 120.841 120.570 -0.342 0.000 2.775 47 I HA -0.082 4.088 4.170 -0.000 0.000 0.290 47 I C 0.033 175.934 176.117 -0.361 0.000 1.203 47 I CA 0.708 61.873 61.300 -0.224 0.000 1.433 47 I CB -0.391 37.506 38.000 -0.172 0.000 1.354 47 I HN 0.267 nan 8.210 nan 0.000 0.579 48 Y N 5.470 125.803 120.300 0.055 0.000 2.328 48 Y HA 0.221 4.771 4.550 -0.000 0.000 0.333 48 Y C 0.513 176.473 175.900 0.100 0.000 0.958 48 Y CA -0.727 57.399 58.100 0.043 0.000 1.167 48 Y CB 1.008 39.477 38.460 0.016 0.000 1.151 48 Y HN 0.529 nan 8.280 nan 0.000 0.470 49 N N 4.024 122.847 118.700 0.204 0.000 2.475 49 N HA 0.114 4.854 4.740 -0.000 0.000 0.267 49 N C 0.266 175.858 175.510 0.138 0.000 1.169 49 N CA 0.392 53.538 53.050 0.161 0.000 0.947 49 N CB 0.747 39.286 38.487 0.086 0.000 1.061 49 N HN 0.806 nan 8.380 nan 0.000 0.466 50 I N 3.071 123.710 120.570 0.116 0.000 2.947 50 I HA 0.140 4.310 4.170 -0.000 0.000 0.263 50 I C 0.239 176.348 176.117 -0.013 0.000 1.130 50 I CA 0.485 61.813 61.300 0.047 0.000 1.448 50 I CB 0.274 38.298 38.000 0.039 0.000 1.222 50 I HN 0.403 nan 8.210 nan 0.000 0.453 51 L N 0.622 121.837 121.223 -0.015 0.000 2.422 51 L HA 0.384 4.724 4.340 -0.000 0.000 0.264 51 L C -0.922 175.946 176.870 -0.002 0.000 0.984 51 L CA -0.442 54.370 54.840 -0.047 0.000 0.819 51 L CB 2.276 44.275 42.059 -0.101 0.000 1.330 51 L HN 0.101 nan 8.230 nan 0.000 0.410 52 N N 1.306 120.027 118.700 0.035 0.000 2.573 52 N HA 0.151 4.891 4.740 -0.000 0.000 0.262 52 N C -0.661 174.893 175.510 0.073 0.000 1.029 52 N CA -0.179 52.898 53.050 0.045 0.000 0.882 52 N CB 1.220 39.739 38.487 0.052 0.000 1.204 52 N HN 0.669 nan 8.380 nan 0.000 0.519 53 S N 1.965 117.695 115.700 0.051 0.000 3.550 53 S HA -0.257 4.213 4.470 -0.000 0.000 0.372 53 S C -0.412 174.247 174.600 0.098 0.000 0.966 53 S CA 0.416 58.661 58.200 0.075 0.000 1.229 53 S CB -1.836 61.414 63.200 0.084 0.000 0.917 53 S HN 0.685 nan 8.310 nan 0.000 0.496 54 Y N 1.293 121.579 120.300 -0.025 0.000 2.402 54 Y HA 0.461 5.011 4.550 0.000 0.000 0.333 54 Y C 0.253 176.163 175.900 0.018 0.000 1.076 54 Y CA -1.088 57.004 58.100 -0.013 0.000 1.299 54 Y CB 0.393 38.837 38.460 -0.027 0.000 1.197 54 Y HN 0.364 nan 8.280 nan 0.000 0.517 55 L N 7.125 128.036 121.223 -0.521 0.000 2.477 55 L HA 0.121 4.461 4.340 -0.000 0.000 0.272 55 L C 1.126 177.767 176.870 -0.381 0.000 1.157 55 L CA 1.019 55.645 54.840 -0.358 0.000 0.889 55 L CB 0.424 42.295 42.059 -0.314 0.000 1.158 55 L HN 0.931 nan 8.230 nan 0.000 0.473 56 T N 1.499 116.020 114.554 -0.056 0.000 3.023 56 T HA 0.628 4.978 4.350 -0.000 0.000 0.249 56 T C 0.482 175.140 174.700 -0.071 0.000 1.050 56 T CA 0.294 62.457 62.100 0.104 0.000 1.088 56 T CB 0.164 69.243 68.868 0.352 0.000 0.946 56 T HN 0.810 nan 8.240 nan 0.000 0.480 57 A N -0.171 122.563 122.820 -0.144 0.000 2.582 57 A HA 0.666 4.986 4.320 -0.000 0.000 0.297 57 A C -2.057 175.455 177.584 -0.120 0.000 1.059 57 A CA -0.913 50.900 52.037 -0.373 0.000 0.705 57 A CB 1.015 19.551 19.000 -0.774 0.000 1.279 57 A HN 0.488 nan 8.150 nan 0.000 0.404 58 Y N 0.916 121.093 120.300 -0.206 0.000 2.521 58 Y HA 0.600 5.150 4.550 0.000 0.000 0.326 58 Y C -1.254 174.678 175.900 0.053 0.000 1.176 58 Y CA -0.384 57.694 58.100 -0.036 0.000 1.079 58 Y CB 1.834 40.241 38.460 -0.088 0.000 1.341 58 Y HN 0.931 nan 8.280 nan 0.000 0.456 59 N N 2.229 120.557 118.700 -0.620 0.000 2.425 59 N HA 0.424 5.164 4.740 -0.000 0.000 0.289 59 N C 0.171 175.168 175.510 -0.855 0.000 1.074 59 N CA 0.121 52.825 53.050 -0.576 0.000 0.905 59 N CB 1.778 39.782 38.487 -0.805 0.000 1.586 59 N HN 0.849 nan 8.380 nan 0.000 0.490 60 G N 0.501 109.035 108.800 -0.444 0.000 2.744 60 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.211 60 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.211 60 G C 0.788 175.494 174.900 -0.323 0.000 1.143 60 G CA 0.959 45.885 45.100 -0.290 0.000 0.788 60 G HN 0.597 nan 8.290 nan 0.000 0.534 61 S N -0.303 115.147 115.700 -0.418 0.000 2.691 61 S HA 0.176 4.646 4.470 -0.000 0.000 0.241 61 S C 0.879 175.238 174.600 -0.403 0.000 1.077 61 S CA 0.176 58.183 58.200 -0.322 0.000 0.900 61 S CB -0.084 63.014 63.200 -0.170 0.000 0.805 61 S HN 0.609 nan 8.310 nan 0.000 0.529 62 H N 0.084 118.932 119.070 -0.369 0.000 2.530 62 H HA 0.671 5.227 4.556 -0.000 0.000 0.342 62 H C -0.499 174.462 175.328 -0.612 0.000 1.312 62 H CA -0.643 55.171 56.048 -0.391 0.000 1.376 62 H CB 0.034 29.626 29.762 -0.283 0.000 1.692 62 H HN 0.215 nan 8.280 nan 0.000 0.622 63 H N -0.253 118.822 119.070 0.009 0.000 2.475 63 H HA 0.184 4.740 4.556 0.000 0.000 0.276 63 H C 0.643 175.896 175.328 -0.125 0.000 1.126 63 H CA -0.119 55.871 56.048 -0.097 0.000 1.023 63 H CB 0.337 30.047 29.762 -0.086 0.000 1.669 63 H HN 0.289 nan 8.280 nan 0.000 0.573 64 L N -0.211 120.963 121.223 -0.082 0.000 2.191 64 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 64 L C 0.629 177.370 176.870 -0.215 0.000 1.103 64 L CA 1.723 56.379 54.840 -0.307 0.000 0.769 64 L CB -0.667 40.985 42.059 -0.678 0.000 0.908 64 L HN 0.528 nan 8.230 nan 0.000 0.438 65 Y N -0.908 119.375 120.300 -0.028 0.000 2.746 65 Y HA 0.075 4.625 4.550 0.000 0.000 0.312 65 Y C 1.428 177.162 175.900 -0.276 0.000 1.117 65 Y CA -0.669 57.337 58.100 -0.157 0.000 1.324 65 Y CB -0.277 38.056 38.460 -0.210 0.000 1.173 65 Y HN 0.250 nan 8.280 nan 0.000 0.529 66 D N 0.706 121.029 120.400 -0.129 0.000 2.349 66 D HA -0.095 4.545 4.640 -0.000 0.000 0.224 66 D C 0.784 176.892 176.300 -0.319 0.000 1.029 66 D CA 0.253 54.112 54.000 -0.236 0.000 0.879 66 D CB 0.131 40.885 40.800 -0.077 0.000 0.906 66 D HN 0.361 nan 8.370 nan 0.000 0.528 67 R N 0.353 120.705 120.500 -0.248 0.000 2.647 67 R HA 0.217 4.557 4.340 -0.000 0.000 0.295 67 R C -0.302 175.985 176.300 -0.021 0.000 1.267 67 R CA -0.692 55.354 56.100 -0.090 0.000 1.386 67 R CB -0.459 29.718 30.300 -0.205 0.000 1.309 67 R HN -0.091 nan 8.270 nan 0.000 0.692 68 M N 1.427 120.948 119.600 -0.132 0.000 2.252 68 M HA 0.188 4.668 4.480 -0.000 0.000 0.348 68 M C -0.056 176.189 176.300 -0.092 0.000 1.334 68 M CA 0.622 55.849 55.300 -0.122 0.000 1.071 68 M CB 0.664 33.198 32.600 -0.110 0.000 1.763 68 M HN 0.233 nan 8.290 nan 0.000 0.452 69 S N 2.579 118.023 115.700 -0.426 0.000 2.595 69 S HA 0.858 5.327 4.470 -0.000 0.000 0.281 69 S C -1.227 172.868 174.600 -0.842 0.000 1.117 69 S CA -0.619 57.357 58.200 -0.374 0.000 0.873 69 S CB 1.718 64.849 63.200 -0.116 0.000 1.108 69 S HN 0.442 nan 8.310 nan 0.000 0.477 70 F N 1.489 121.450 119.950 0.018 0.000 2.557 70 F HA 0.614 5.141 4.527 0.000 0.000 0.316 70 F C -0.578 175.209 175.800 -0.021 0.000 1.141 70 F CA -0.724 57.259 58.000 -0.028 0.000 0.922 70 F CB 1.037 40.018 39.000 -0.031 0.000 1.194 70 F HN 0.171 nan 8.300 nan 0.000 0.443 71 L N 2.263 123.536 121.223 0.084 0.000 2.381 71 L HA 0.606 4.946 4.340 -0.000 0.000 0.268 71 L C -0.523 176.372 176.870 0.042 0.000 0.997 71 L CA -0.840 54.026 54.840 0.043 0.000 0.818 71 L CB 2.020 44.071 42.059 -0.014 0.000 1.310 71 L HN 0.638 nan 8.230 nan 0.000 0.416 72 c N 1.510 120.131 118.600 0.034 0.000 2.649 72 c HA 0.162 4.732 4.570 -0.000 0.000 0.377 72 c C 2.095 176.192 174.090 0.012 0.000 1.321 72 c CA -0.387 55.957 56.329 0.025 0.000 2.368 72 c CB 0.394 42.916 42.510 0.020 0.000 2.597 72 c HN 0.737 nan 8.230 nan 0.000 0.678 73 L N 1.320 122.549 121.223 0.010 0.000 2.395 73 L HA 0.083 4.423 4.340 -0.000 0.000 0.218 73 L C 1.006 177.878 176.870 0.002 0.000 1.130 73 L CA 1.003 55.845 54.840 0.004 0.000 0.826 73 L CB -0.523 41.538 42.059 0.005 0.000 0.941 73 L HN 0.716 nan 8.230 nan 0.000 0.451 74 S N -1.400 114.303 115.700 0.004 0.000 2.541 74 S HA 0.255 4.725 4.470 -0.000 0.000 0.271 74 S C 0.718 175.321 174.600 0.006 0.000 1.133 74 S CA -0.141 58.062 58.200 0.004 0.000 0.876 74 S CB 1.824 65.026 63.200 0.004 0.000 1.105 74 S HN 0.161 nan 8.310 nan 0.000 0.470 75 S N 2.900 118.604 115.700 0.006 0.000 2.436 75 S HA 0.064 4.534 4.470 -0.000 0.000 0.228 75 S C 0.946 175.552 174.600 0.009 0.000 1.014 75 S CA 0.474 58.678 58.200 0.008 0.000 0.950 75 S CB -0.129 63.075 63.200 0.008 0.000 0.784 75 S HN 0.642 nan 8.310 nan 0.000 0.504 76 Q N 0.485 120.290 119.800 0.008 0.000 2.254 76 Q HA 0.356 4.696 4.340 -0.000 0.000 0.259 76 Q C -0.258 175.748 176.000 0.010 0.000 0.815 76 Q CA 0.018 55.826 55.803 0.009 0.000 0.961 76 Q CB -0.231 28.512 28.738 0.009 0.000 1.140 76 Q HN 0.515 nan 8.270 nan 0.000 0.502 77 N N 1.934 120.639 118.700 0.008 0.000 2.411 77 N HA 0.000 4.740 4.740 -0.000 0.000 0.259 77 N C 0.667 176.182 175.510 0.007 0.000 1.103 77 N CA 0.462 53.517 53.050 0.008 0.000 0.954 77 N CB 1.161 39.652 38.487 0.006 0.000 1.085 77 N HN 0.095 nan 8.380 nan 0.000 0.485 78 T N 1.458 116.018 114.554 0.010 0.000 3.129 78 T HA 0.014 4.364 4.350 -0.000 0.000 0.251 78 T C 1.968 176.666 174.700 -0.004 0.000 1.117 78 T CA -0.174 61.932 62.100 0.009 0.000 1.034 78 T CB -0.106 68.776 68.868 0.024 0.000 0.968 78 T HN 0.457 nan 8.240 nan 0.000 0.526 79 L N 1.353 122.573 121.223 -0.005 0.000 2.010 79 L HA -0.179 4.161 4.340 -0.000 0.000 0.219 79 L C 1.118 177.963 176.870 -0.040 0.000 1.077 79 L CA 1.879 56.709 54.840 -0.017 0.000 0.773 79 L CB -0.308 41.746 42.059 -0.010 0.000 0.892 79 L HN 0.414 nan 8.230 nan 0.000 0.436 80 N N -0.485 118.196 118.700 -0.032 0.000 2.291 80 N HA 0.212 4.952 4.740 -0.000 0.000 0.244 80 N C -0.071 175.420 175.510 -0.032 0.000 1.216 80 N CA 0.810 53.834 53.050 -0.042 0.000 0.879 80 N CB 1.226 39.699 38.487 -0.024 0.000 1.167 80 N HN 0.406 nan 8.380 nan 0.000 0.515 81 G N 0.751 109.536 108.800 -0.025 0.000 3.355 81 G HA2 0.126 4.086 3.960 -0.000 0.000 0.686 81 G HA3 0.126 4.086 3.960 -0.000 0.000 0.686 81 G C -0.955 173.947 174.900 0.002 0.000 1.097 81 G CA -0.495 44.599 45.100 -0.010 0.000 0.881 81 G HN 0.335 nan 8.290 nan 0.000 0.550 82 A N 1.699 124.523 122.820 0.008 0.000 2.288 82 A HA 1.044 5.364 4.320 -0.000 0.000 0.320 82 A C 0.664 178.255 177.584 0.012 0.000 1.217 82 A CA 0.408 52.451 52.037 0.010 0.000 0.840 82 A CB 0.688 19.694 19.000 0.011 0.000 1.179 82 A HN 2.644 nan 8.150 nan 0.000 0.504 83 c N -0.323 118.285 118.600 0.014 0.000 3.259 83 c HA 0.733 5.303 4.570 -0.000 0.000 0.344 83 c C -3.286 170.815 174.090 0.018 0.000 1.401 83 c CA -1.723 54.617 56.329 0.018 0.000 1.219 83 c CB 0.752 43.275 42.510 0.022 0.000 1.521 83 c HN 0.592 nan 8.230 nan 0.000 0.455 84 P HA 0.094 nan 4.420 nan 0.000 0.260 84 P C 0.789 178.095 177.300 0.010 0.000 1.172 84 P CA 0.916 64.025 63.100 0.015 0.000 0.760 84 P CB 0.593 32.305 31.700 0.020 0.000 0.773 85 S N 0.865 116.566 115.700 0.001 0.000 2.556 85 S HA 0.161 4.631 4.470 -0.000 0.000 0.216 85 S C 0.541 175.126 174.600 -0.025 0.000 0.970 85 S CA -0.063 58.133 58.200 -0.007 0.000 0.912 85 S CB -0.285 62.913 63.200 -0.004 0.000 0.790 85 S HN 0.475 nan 8.310 nan 0.000 0.504 86 S N 0.405 116.085 115.700 -0.033 0.000 2.627 86 S HA 0.520 4.990 4.470 -0.000 0.000 0.283 86 S C -1.341 173.196 174.600 -0.105 0.000 1.127 86 S CA -0.981 57.177 58.200 -0.070 0.000 0.863 86 S CB 0.895 64.063 63.200 -0.054 0.000 1.121 86 S HN 0.118 nan 8.310 nan 0.000 0.479 87 D N 1.567 121.835 120.400 -0.220 0.000 2.488 87 D HA 0.323 4.963 4.640 -0.000 0.000 0.238 87 D C 0.546 176.746 176.300 -0.168 0.000 1.138 87 D CA 0.558 54.383 54.000 -0.290 0.000 0.873 87 D CB 0.696 41.059 40.800 -0.728 0.000 1.183 87 D HN 0.843 nan 8.370 nan 0.000 0.458 88 A N 4.300 127.087 122.820 -0.055 0.000 2.520 88 A HA 0.181 4.501 4.320 -0.000 0.000 0.245 88 A C -1.175 176.468 177.584 0.098 0.000 1.072 88 A CA -0.838 51.215 52.037 0.027 0.000 0.761 88 A CB 0.249 19.280 19.000 0.051 0.000 1.004 88 A HN 0.370 nan 8.150 nan 0.000 0.499 89 P HA 0.001 nan 4.420 nan 0.000 0.222 89 P C 0.934 178.331 177.300 0.162 0.000 1.153 89 P CA 1.167 64.389 63.100 0.203 0.000 0.798 89 P CB -0.132 31.648 31.700 0.134 0.000 0.796 90 G N 0.228 109.095 108.800 0.112 0.000 2.441 90 G HA2 0.230 4.190 3.960 -0.000 0.000 0.243 90 G HA3 0.230 4.190 3.960 -0.000 0.000 0.243 90 G C 1.018 175.979 174.900 0.102 0.000 1.281 90 G CA 0.194 45.345 45.100 0.084 0.000 0.854 90 G HN 0.193 nan 8.290 nan 0.000 0.560 91 T N -0.941 113.659 114.554 0.075 0.000 3.081 91 T HA 0.405 4.755 4.350 -0.000 0.000 0.255 91 T C 1.199 175.917 174.700 0.030 0.000 1.113 91 T CA 0.543 62.682 62.100 0.065 0.000 1.082 91 T CB 0.155 69.049 68.868 0.042 0.000 0.939 91 T HN 0.784 nan 8.240 nan 0.000 0.506 92 A N 2.764 125.599 122.820 0.026 0.000 2.388 92 A HA 0.543 4.863 4.320 -0.000 0.000 0.257 92 A C 0.914 178.504 177.584 0.009 0.000 1.095 92 A CA -0.458 51.583 52.037 0.006 0.000 0.791 92 A CB -0.016 18.983 19.000 -0.001 0.000 1.029 92 A HN 0.580 nan 8.150 nan 0.000 0.489 93 T N 0.006 114.551 114.554 -0.015 0.000 2.900 93 T HA 0.454 4.804 4.350 -0.000 0.000 0.307 93 T C 0.033 174.716 174.700 -0.029 0.000 1.065 93 T CA -0.107 61.979 62.100 -0.023 0.000 1.105 93 T CB 0.116 68.921 68.868 -0.105 0.000 0.979 93 T HN 0.363 nan 8.240 nan 0.000 0.544 94 I N 2.641 123.203 120.570 -0.013 0.000 2.337 94 I HA 0.234 4.404 4.170 -0.000 0.000 0.285 94 I C -0.311 175.787 176.117 -0.031 0.000 1.041 94 I CA -0.913 60.380 61.300 -0.011 0.000 1.199 94 I CB 0.721 38.732 38.000 0.018 0.000 1.370 94 I HN 0.615 nan 8.210 nan 0.000 0.470 95 D N 5.433 125.798 120.400 -0.059 0.000 2.302 95 D HA 0.606 5.246 4.640 -0.000 0.000 0.248 95 D C 0.673 176.941 176.300 -0.052 0.000 1.094 95 D CA 0.437 54.388 54.000 -0.081 0.000 0.897 95 D CB 1.871 42.606 40.800 -0.108 0.000 1.200 95 D HN 0.808 nan 8.370 nan 0.000 0.429 96 G N 1.595 110.360 108.800 -0.058 0.000 2.342 96 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.220 96 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.220 96 G C -1.187 173.713 174.900 0.000 0.000 1.243 96 G CA -0.831 44.240 45.100 -0.049 0.000 1.083 96 G HN 0.470 nan 8.290 nan 0.000 0.500 97 E N -0.559 119.662 120.200 0.034 0.000 2.244 97 E HA 0.624 4.974 4.350 -0.000 0.000 0.266 97 E C -0.738 175.909 176.600 0.078 0.000 0.914 97 E CA -0.726 55.742 56.400 0.113 0.000 0.794 97 E CB 1.993 31.784 29.700 0.152 0.000 1.210 97 E HN 0.397 nan 8.360 nan 0.000 0.414 98 T N 1.977 116.583 114.554 0.087 0.000 2.882 98 T HA 0.230 4.580 4.350 -0.000 0.000 0.287 98 T C -0.183 174.525 174.700 0.013 0.000 0.992 98 T CA -0.745 61.385 62.100 0.050 0.000 1.076 98 T CB 0.327 69.231 68.868 0.062 0.000 0.961 98 T HN 0.269 nan 8.240 nan 0.000 0.490 99 N N 3.224 121.927 118.700 0.006 0.000 2.419 99 N HA 0.367 5.107 4.740 -0.000 0.000 0.264 99 N C -0.730 174.776 175.510 -0.007 0.000 1.031 99 N CA -0.204 52.839 53.050 -0.012 0.000 0.951 99 N CB 1.353 39.837 38.487 -0.006 0.000 1.101 99 N HN 0.494 nan 8.380 nan 0.000 0.488 100 I N 1.373 121.932 120.570 -0.018 0.000 2.406 100 I HA 0.167 4.337 4.170 -0.000 0.000 0.290 100 I C 0.119 176.241 176.117 0.007 0.000 0.999 100 I CA -0.528 60.770 61.300 -0.003 0.000 1.124 100 I CB 1.710 39.707 38.000 -0.006 0.000 1.289 100 I HN 0.177 nan 8.210 nan 0.000 0.441 101 T N 7.213 121.777 114.554 0.016 0.000 2.744 101 T HA 0.472 4.822 4.350 -0.000 0.000 0.291 101 T C -0.554 174.171 174.700 0.042 0.000 0.957 101 T CA -0.253 61.865 62.100 0.030 0.000 1.002 101 T CB 0.879 69.761 68.868 0.023 0.000 0.919 101 T HN 0.190 nan 8.240 nan 0.000 0.468 102 L N 3.990 125.263 121.223 0.083 0.000 2.349 102 L HA 0.435 4.775 4.340 -0.000 0.000 0.278 102 L C -0.097 176.843 176.870 0.117 0.000 0.996 102 L CA -0.581 54.298 54.840 0.065 0.000 0.825 102 L CB 1.872 43.966 42.059 0.060 0.000 1.243 102 L HN 0.617 nan 8.230 nan 0.000 0.412 103 Q N 3.273 123.086 119.800 0.022 0.000 2.297 103 Q HA 0.275 4.615 4.340 -0.000 0.000 0.267 103 Q C -1.575 174.412 176.000 -0.021 0.000 1.006 103 Q CA 0.161 56.003 55.803 0.066 0.000 0.896 103 Q CB 0.458 29.213 28.738 0.029 0.000 1.186 103 Q HN 0.590 nan 8.270 nan 0.000 0.392 104 F N 1.711 121.726 119.950 0.108 0.000 2.469 104 F HA 0.359 4.886 4.527 -0.000 0.000 0.332 104 F C 0.056 176.041 175.800 0.308 0.000 1.103 104 F CA -0.477 57.643 58.000 0.199 0.000 0.979 104 F CB 2.335 41.467 39.000 0.220 0.000 1.137 104 F HN 0.333 nan 8.300 nan 0.000 0.463 105 T N 2.833 117.592 114.554 0.342 0.000 2.770 105 T HA 0.158 4.508 4.350 -0.000 0.000 0.283 105 T C -0.483 174.204 174.700 -0.021 0.000 0.988 105 T CA -0.685 61.520 62.100 0.174 0.000 0.957 105 T CB 1.184 70.088 68.868 0.060 0.000 0.930 105 T HN 0.379 nan 8.240 nan 0.000 0.443 106 E N 2.824 122.755 120.200 -0.449 0.000 2.344 106 E HA 0.081 4.431 4.350 -0.000 0.000 0.270 106 E C 1.016 177.393 176.600 -0.372 0.000 1.021 106 E CA -0.081 55.793 56.400 -0.876 0.000 0.887 106 E CB 0.889 29.671 29.700 -1.530 0.000 0.997 106 E HN 0.630 nan 8.360 nan 0.000 0.429 107 K N 4.359 124.576 120.400 -0.305 0.000 2.020 107 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 107 K C 1.643 178.152 176.600 -0.152 0.000 1.050 107 K CA 1.373 57.553 56.287 -0.179 0.000 0.929 107 K CB 0.185 32.588 32.500 -0.162 0.000 0.714 107 K HN 0.361 nan 8.250 nan 0.000 0.443 108 R N -0.280 120.108 120.500 -0.187 0.000 2.112 108 R HA 0.002 4.342 4.340 -0.000 0.000 0.216 108 R C 2.515 178.718 176.300 -0.161 0.000 1.080 108 R CA 1.369 57.364 56.100 -0.175 0.000 0.996 108 R CB -0.196 29.970 30.300 -0.223 0.000 0.902 108 R HN 0.350 nan 8.270 nan 0.000 0.449 109 S N 0.608 116.231 115.700 -0.128 0.000 2.470 109 S HA 0.039 4.509 4.470 -0.000 0.000 0.225 109 S C 1.371 176.060 174.600 0.148 0.000 1.006 109 S CA 0.233 58.448 58.200 0.025 0.000 0.934 109 S CB -0.148 63.125 63.200 0.121 0.000 0.778 109 S HN 0.376 nan 8.310 nan 0.000 0.517 110 L N -0.720 120.519 121.223 0.026 0.000 4.696 110 L HA -0.159 4.181 4.340 -0.000 0.000 0.425 110 L C -0.193 176.727 176.870 0.083 0.000 1.115 110 L CA -0.052 54.810 54.840 0.037 0.000 0.996 110 L CB -1.997 40.097 42.059 0.058 0.000 2.077 110 L HN 0.388 nan 8.230 nan 0.000 0.792 111 I N 0.940 121.588 120.570 0.131 0.000 2.634 111 I HA 0.065 4.235 4.170 -0.000 0.000 0.284 111 I C 0.876 177.129 176.117 0.226 0.000 1.124 111 I CA 0.613 62.038 61.300 0.210 0.000 1.417 111 I CB 0.690 38.932 38.000 0.403 0.000 1.396 111 I HN 0.013 nan 8.210 nan 0.000 0.571 112 K N 6.339 126.892 120.400 0.256 0.000 2.221 112 K HA 0.659 4.979 4.320 -0.000 0.000 0.258 112 K C -0.800 175.976 176.600 0.293 0.000 0.944 112 K CA -0.912 55.549 56.287 0.289 0.000 0.823 112 K CB 1.596 34.198 32.500 0.169 0.000 1.113 112 K HN 0.339 nan 8.250 nan 0.000 0.431 113 R N 1.605 122.295 120.500 0.316 0.000 2.774 113 R HA 0.335 4.675 4.340 -0.000 0.000 0.272 113 R C -0.963 175.413 176.300 0.127 0.000 1.000 113 R CA -0.827 55.346 56.100 0.121 0.000 0.906 113 R CB 1.888 32.125 30.300 -0.105 0.000 1.227 113 R HN 0.699 nan 8.270 nan 0.000 0.468 114 E N 1.817 122.051 120.200 0.057 0.000 2.179 114 E HA 0.540 4.890 4.350 -0.000 0.000 0.275 114 E C -0.423 176.194 176.600 0.027 0.000 0.945 114 E CA -0.558 55.899 56.400 0.094 0.000 0.792 114 E CB 1.951 31.688 29.700 0.062 0.000 1.125 114 E HN 0.211 nan 8.360 nan 0.000 0.397 115 L N 1.827 123.110 121.223 0.099 0.000 2.323 115 L HA 0.392 4.732 4.340 -0.000 0.000 0.265 115 L C -0.224 176.676 176.870 0.050 0.000 1.012 115 L CA -1.273 53.556 54.840 -0.018 0.000 0.820 115 L CB 1.742 43.673 42.059 -0.213 0.000 1.334 115 L HN 0.308 nan 8.230 nan 0.000 0.427 116 Q N 2.146 121.943 119.800 -0.005 0.000 2.235 116 Q HA 0.542 4.882 4.340 -0.000 0.000 0.250 116 Q C -0.812 175.176 176.000 -0.019 0.000 0.909 116 Q CA -0.428 55.370 55.803 -0.007 0.000 0.910 116 Q CB 2.540 31.259 28.738 -0.031 0.000 1.223 116 Q HN 0.297 nan 8.270 nan 0.000 0.432 117 I N 1.807 122.355 120.570 -0.036 0.000 2.509 117 I HA 0.364 4.534 4.170 -0.000 0.000 0.293 117 I C 0.076 176.079 176.117 -0.190 0.000 1.020 117 I CA -0.911 60.333 61.300 -0.093 0.000 1.088 117 I CB 1.654 39.638 38.000 -0.027 0.000 1.267 117 I HN 0.223 nan 8.210 nan 0.000 0.430 118 K N 3.451 123.601 120.400 -0.417 0.000 2.159 118 K HA 0.742 5.062 4.320 -0.000 0.000 0.266 118 K C -0.023 176.405 176.600 -0.286 0.000 0.975 118 K CA -0.417 55.611 56.287 -0.433 0.000 0.865 118 K CB 2.385 34.352 32.500 -0.888 0.000 1.087 118 K HN 0.915 nan 8.250 nan 0.000 0.446 119 G N 2.045 110.798 108.800 -0.078 0.000 2.620 119 G HA2 0.675 4.635 3.960 -0.000 0.000 0.301 119 G HA3 0.675 4.635 3.960 -0.000 0.000 0.301 119 G C -1.674 173.294 174.900 0.113 0.000 1.347 119 G CA -0.600 44.472 45.100 -0.047 0.000 0.971 119 G HN 0.529 nan 8.290 nan 0.000 0.488 120 Y N -0.987 119.324 120.300 0.019 0.000 2.656 120 Y HA 0.788 5.338 4.550 -0.000 0.000 0.334 120 Y C -0.714 175.214 175.900 0.045 0.000 1.179 120 Y CA -1.598 56.531 58.100 0.049 0.000 1.050 120 Y CB 1.506 40.011 38.460 0.074 0.000 1.308 120 Y HN 0.738 nan 8.280 nan 0.000 0.456 121 K N 0.976 121.558 120.400 0.303 0.000 2.395 121 K HA 0.772 5.092 4.320 -0.000 0.000 0.247 121 K C -1.589 175.234 176.600 0.372 0.000 0.973 121 K CA -0.989 55.464 56.287 0.277 0.000 0.828 121 K CB 2.900 35.648 32.500 0.413 0.000 1.272 121 K HN 0.897 nan 8.250 nan 0.000 0.439 122 Q N 0.879 120.919 119.800 0.399 0.000 2.359 122 Q HA 0.437 4.777 4.340 -0.000 0.000 0.274 122 Q C -1.497 174.857 176.000 0.590 0.000 1.074 122 Q CA -0.939 55.110 55.803 0.410 0.000 0.810 122 Q CB 1.890 30.840 28.738 0.353 0.000 1.342 122 Q HN 0.391 nan 8.270 nan 0.000 0.427 123 F N 1.309 121.418 119.950 0.266 0.000 2.432 123 F HA 0.520 5.047 4.527 -0.000 0.000 0.329 123 F C -0.116 175.635 175.800 -0.081 0.000 1.076 123 F CA -1.234 56.775 58.000 0.015 0.000 1.018 123 F CB 0.899 39.791 39.000 -0.180 0.000 1.201 123 F HN 0.303 nan 8.300 nan 0.000 0.489 124 L N 3.173 124.312 121.223 -0.138 0.000 2.322 124 L HA 0.508 4.848 4.340 -0.000 0.000 0.281 124 L C -1.195 175.475 176.870 -0.334 0.000 1.014 124 L CA -0.518 54.294 54.840 -0.048 0.000 0.815 124 L CB 1.278 43.416 42.059 0.131 0.000 1.247 124 L HN 0.342 nan 8.230 nan 0.000 0.421 125 F N 1.079 121.129 119.950 0.166 0.000 2.551 125 F HA 0.414 4.941 4.527 -0.000 0.000 0.316 125 F C 1.074 176.957 175.800 0.138 0.000 1.089 125 F CA -0.886 57.190 58.000 0.126 0.000 0.915 125 F CB 1.850 40.901 39.000 0.085 0.000 1.186 125 F HN 0.333 nan 8.300 nan 0.000 0.456 126 K N 0.560 121.134 120.400 0.289 0.000 2.211 126 K HA -0.031 4.289 4.320 -0.000 0.000 0.203 126 K C 0.715 177.418 176.600 0.172 0.000 1.050 126 K CA 1.031 57.444 56.287 0.211 0.000 0.945 126 K CB 0.058 32.650 32.500 0.153 0.000 0.732 126 K HN 0.530 nan 8.250 nan 0.000 0.451 127 N N -0.528 118.279 118.700 0.179 0.000 2.184 127 N HA 0.140 4.880 4.740 -0.000 0.000 0.206 127 N C -0.496 175.072 175.510 0.097 0.000 1.151 127 N CA 0.128 53.248 53.050 0.117 0.000 0.878 127 N CB 1.544 40.086 38.487 0.091 0.000 1.014 127 N HN 0.032 nan 8.380 nan 0.000 0.512 128 A N 0.294 123.190 122.820 0.127 0.000 2.544 128 A HA 0.438 4.758 4.320 -0.000 0.000 0.291 128 A C -1.694 175.976 177.584 0.144 0.000 1.055 128 A CA -0.764 51.326 52.037 0.088 0.000 0.651 128 A CB 0.864 19.875 19.000 0.019 0.000 1.296 128 A HN -0.019 nan 8.150 nan 0.000 0.431 129 N N -0.196 118.576 118.700 0.120 0.000 2.408 129 N HA 0.499 5.239 4.740 -0.000 0.000 0.280 129 N C -1.376 174.221 175.510 0.146 0.000 1.002 129 N CA -0.022 53.135 53.050 0.178 0.000 0.907 129 N CB 1.407 39.981 38.487 0.145 0.000 1.161 129 N HN 0.570 nan 8.380 nan 0.000 0.488 130 c N 3.529 122.276 118.600 0.246 0.000 3.002 130 c HA 0.279 4.849 4.570 -0.000 0.000 0.248 130 c C -1.271 173.080 174.090 0.435 0.000 1.153 130 c CA -0.914 55.576 56.329 0.269 0.000 1.502 130 c CB 0.768 43.423 42.510 0.242 0.000 1.805 130 c HN 0.598 nan 8.230 nan 0.000 0.450 131 P HA 0.025 nan 4.420 nan 0.000 0.253 131 P C 0.390 177.802 177.300 0.187 0.000 1.260 131 P CA 0.409 63.662 63.100 0.256 0.000 0.800 131 P CB 0.190 31.992 31.700 0.171 0.000 1.162 132 S N 1.083 116.863 115.700 0.134 0.000 2.599 132 S HA -0.024 4.446 4.470 -0.000 0.000 0.303 132 S C 0.592 175.202 174.600 0.016 0.000 1.267 132 S CA 0.363 58.560 58.200 -0.005 0.000 1.055 132 S CB 0.101 63.195 63.200 -0.177 0.000 0.790 132 S HN 0.176 nan 8.310 nan 0.000 0.500 133 K N 2.668 123.035 120.400 -0.055 0.000 2.322 133 K HA 0.345 4.665 4.320 -0.000 0.000 0.283 133 K C -0.502 176.081 176.600 -0.028 0.000 1.042 133 K CA -0.026 56.233 56.287 -0.046 0.000 0.958 133 K CB 0.457 32.777 32.500 -0.301 0.000 0.984 133 K HN 0.444 nan 8.250 nan 0.000 0.473 134 L N 2.035 123.295 121.223 0.062 0.000 2.342 134 L HA 0.459 4.799 4.340 -0.000 0.000 0.271 134 L C 0.175 177.117 176.870 0.121 0.000 1.008 134 L CA -1.121 53.737 54.840 0.030 0.000 0.818 134 L CB 1.863 43.899 42.059 -0.039 0.000 1.296 134 L HN 0.691 nan 8.230 nan 0.000 0.427 135 A N 1.368 124.242 122.820 0.089 0.000 2.466 135 A HA 0.164 4.484 4.320 -0.000 0.000 0.238 135 A C 1.046 178.726 177.584 0.160 0.000 1.074 135 A CA -0.329 51.777 52.037 0.114 0.000 0.774 135 A CB 0.255 19.299 19.000 0.074 0.000 1.015 135 A HN 0.693 nan 8.150 nan 0.000 0.498 136 L N 1.335 122.662 121.223 0.173 0.000 2.043 136 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 136 L C 2.177 179.193 176.870 0.242 0.000 1.075 136 L CA 2.550 57.541 54.840 0.251 0.000 0.752 136 L CB -1.082 41.096 42.059 0.199 0.000 0.891 136 L HN 0.967 nan 8.230 nan 0.000 0.432 137 N N -1.706 117.078 118.700 0.140 0.000 2.268 137 N HA -0.021 4.719 4.740 -0.000 0.000 0.204 137 N C 0.585 176.147 175.510 0.087 0.000 1.124 137 N CA 0.101 53.203 53.050 0.086 0.000 0.838 137 N CB -0.176 38.332 38.487 0.034 0.000 0.994 137 N HN 0.156 nan 8.380 nan 0.000 0.489 138 S N 0.741 116.513 115.700 0.121 0.000 2.568 138 S HA 0.167 4.637 4.470 -0.000 0.000 0.282 138 S C 0.541 175.247 174.600 0.177 0.000 1.338 138 S CA -0.413 57.857 58.200 0.116 0.000 1.045 138 S CB 0.247 63.499 63.200 0.086 0.000 0.873 138 S HN 0.526 nan 8.310 nan 0.000 0.516 139 S N 3.787 119.595 115.700 0.180 0.000 2.580 139 S HA 0.187 4.657 4.470 -0.000 0.000 0.266 139 S C 0.323 175.131 174.600 0.346 0.000 1.354 139 S CA -0.526 57.845 58.200 0.285 0.000 1.008 139 S CB -0.058 63.253 63.200 0.185 0.000 0.898 139 S HN 0.914 nan 8.310 nan 0.000 0.555 140 H N -0.051 119.219 119.070 0.334 0.000 2.534 140 H HA 0.657 5.213 4.556 -0.000 0.000 0.364 140 H C -0.212 175.401 175.328 0.476 0.000 1.328 140 H CA -0.963 55.388 56.048 0.505 0.000 1.415 140 H CB 0.111 30.162 29.762 0.482 0.000 1.573 140 H HN 0.815 nan 8.280 nan 0.000 0.601 141 F N -1.986 118.159 119.950 0.324 0.000 2.685 141 F HA 0.526 5.053 4.527 -0.000 0.000 0.315 141 F C -1.334 174.685 175.800 0.365 0.000 1.126 141 F CA -1.283 56.820 58.000 0.171 0.000 0.950 141 F CB 1.689 40.737 39.000 0.080 0.000 1.360 141 F HN 0.419 nan 8.300 nan 0.000 0.469 142 Q N 1.061 120.951 119.800 0.151 0.000 2.274 142 Q HA 0.441 4.781 4.340 -0.000 0.000 0.260 142 Q C -1.464 174.435 176.000 -0.169 0.000 0.974 142 Q CA -1.009 54.807 55.803 0.021 0.000 0.876 142 Q CB 2.316 31.092 28.738 0.064 0.000 1.297 142 Q HN 0.875 nan 8.270 nan 0.000 0.446 143 c N 4.434 122.642 118.600 -0.653 0.000 2.256 143 c HA 0.196 4.766 4.570 -0.000 0.000 0.333 143 c C 0.151 174.063 174.090 -0.295 0.000 1.183 143 c CA -0.223 55.679 56.329 -0.712 0.000 1.692 143 c CB -1.564 39.971 42.510 -1.625 0.000 2.274 143 c HN 0.917 nan 8.230 nan 0.000 0.509 144 N N 4.350 122.975 118.700 -0.125 0.000 2.714 144 N HA -0.215 4.525 4.740 -0.000 0.000 0.252 144 N C 0.562 176.046 175.510 -0.043 0.000 1.014 144 N CA 1.283 54.297 53.050 -0.060 0.000 0.735 144 N CB -0.698 37.757 38.487 -0.052 0.000 0.924 144 N HN 0.973 nan 8.380 nan 0.000 0.540 145 R N -2.251 118.230 120.500 -0.032 0.000 3.963 145 R HA -0.218 4.122 4.340 -0.000 0.000 0.394 145 R C 0.075 176.369 176.300 -0.010 0.000 1.131 145 R CA 1.625 57.719 56.100 -0.010 0.000 1.059 145 R CB -1.266 29.032 30.300 -0.002 0.000 1.614 145 R HN 0.648 nan 8.270 nan 0.000 0.546 146 E N 1.559 121.747 120.200 -0.021 0.000 2.216 146 E HA 0.180 4.530 4.350 -0.000 0.000 0.279 146 E C -0.465 176.207 176.600 0.121 0.000 0.997 146 E CA -0.469 55.952 56.400 0.036 0.000 0.817 146 E CB 0.850 30.600 29.700 0.084 0.000 1.096 146 E HN 0.104 nan 8.360 nan 0.000 0.393 147 Q N 1.493 121.292 119.800 -0.002 0.000 2.327 147 Q HA 0.352 4.692 4.340 -0.000 0.000 0.254 147 Q C -0.276 175.811 176.000 0.146 0.000 0.952 147 Q CA -0.505 55.283 55.803 -0.025 0.000 0.884 147 Q CB 1.426 29.886 28.738 -0.464 0.000 1.224 147 Q HN 0.600 nan 8.270 nan 0.000 0.422 148 A N 1.524 124.344 122.820 -0.000 0.000 2.406 148 A HA 0.155 4.475 4.320 -0.000 0.000 0.243 148 A C 0.401 177.873 177.584 -0.187 0.000 1.082 148 A CA -0.139 51.588 52.037 -0.516 0.000 0.786 148 A CB 0.426 18.875 19.000 -0.918 0.000 1.029 148 A HN 0.790 nan 8.150 nan 0.000 0.495 149 S N -0.588 114.921 115.700 -0.318 0.000 2.578 149 S HA 0.482 4.952 4.470 -0.000 0.000 0.228 149 S C 0.619 174.959 174.600 -0.433 0.000 1.022 149 S CA 0.376 58.327 58.200 -0.416 0.000 0.967 149 S CB 0.378 63.202 63.200 -0.627 0.000 0.914 149 S HN 1.524 nan 8.310 nan 0.000 0.515 150 G N 0.432 109.068 108.800 -0.274 0.000 2.428 150 G HA2 0.671 4.631 3.960 -0.000 0.000 0.304 150 G HA3 0.671 4.631 3.960 -0.000 0.000 0.304 150 G C -2.137 172.670 174.900 -0.154 0.000 1.303 150 G CA 0.038 45.078 45.100 -0.101 0.000 0.825 150 G HN 0.449 nan 8.290 nan 0.000 0.484 151 A N -0.906 121.907 122.820 -0.012 0.000 2.604 151 A HA 0.964 5.284 4.320 -0.000 0.000 0.295 151 A C -0.179 177.510 177.584 0.174 0.000 1.067 151 A CA 0.329 52.442 52.037 0.126 0.000 0.683 151 A CB 1.424 20.538 19.000 0.189 0.000 1.281 151 A HN 2.085 nan 8.150 nan 0.000 0.407 152 T N -1.039 113.642 114.554 0.213 0.000 2.932 152 T HA 0.733 5.083 4.350 -0.000 0.000 0.289 152 T C -0.776 173.977 174.700 0.088 0.000 1.039 152 T CA -0.649 61.529 62.100 0.130 0.000 1.024 152 T CB 1.382 70.312 68.868 0.103 0.000 1.090 152 T HN 1.460 nan 8.240 nan 0.000 0.496 153 L N 0.962 122.181 121.223 -0.007 0.000 2.365 153 L HA 0.801 5.141 4.340 -0.000 0.000 0.273 153 L C -0.822 175.932 176.870 -0.193 0.000 1.000 153 L CA -0.227 54.483 54.840 -0.216 0.000 0.819 153 L CB 2.166 44.018 42.059 -0.346 0.000 1.284 153 L HN 0.893 nan 8.230 nan 0.000 0.418 154 S N 5.018 120.467 115.700 -0.419 0.000 2.538 154 S HA 0.852 5.322 4.470 -0.000 0.000 0.288 154 S C -1.141 173.225 174.600 -0.390 0.000 1.108 154 S CA -0.517 57.401 58.200 -0.471 0.000 0.971 154 S CB 1.509 64.149 63.200 -0.935 0.000 1.041 154 S HN 0.562 nan 8.310 nan 0.000 0.483 155 L N 3.560 124.696 121.223 -0.145 0.000 2.455 155 L HA 0.703 5.043 4.340 -0.000 0.000 0.264 155 L C -1.440 175.494 176.870 0.105 0.000 0.968 155 L CA -0.928 53.873 54.840 -0.065 0.000 0.827 155 L CB 1.843 43.861 42.059 -0.069 0.000 1.317 155 L HN 0.880 nan 8.230 nan 0.000 0.407 156 Y N 0.952 121.261 120.300 0.015 0.000 2.624 156 Y HA 0.685 5.235 4.550 -0.000 0.000 0.334 156 Y C -1.418 174.523 175.900 0.070 0.000 1.155 156 Y CA -1.326 56.806 58.100 0.053 0.000 1.046 156 Y CB 1.066 39.563 38.460 0.061 0.000 1.316 156 Y HN 0.320 nan 8.280 nan 0.000 0.457 157 I N 3.995 124.706 120.570 0.235 0.000 2.325 157 I HA 0.371 4.541 4.170 -0.000 0.000 0.291 157 I C -2.346 173.928 176.117 0.261 0.000 1.019 157 I CA -2.097 59.287 61.300 0.140 0.000 1.302 157 I CB 1.269 39.374 38.000 0.176 0.000 1.401 157 I HN 0.375 nan 8.210 nan 0.000 0.485 158 P HA 0.039 nan 4.420 nan 0.000 0.270 158 P C -0.377 176.980 177.300 0.094 0.000 1.223 158 P CA -0.325 62.913 63.100 0.231 0.000 0.785 158 P CB 0.521 32.284 31.700 0.106 0.000 0.923 159 A N 1.875 124.725 122.820 0.050 0.000 2.540 159 A HA 0.399 4.719 4.320 -0.000 0.000 0.239 159 A C 1.568 179.133 177.584 -0.032 0.000 1.061 159 A CA 0.839 52.855 52.037 -0.035 0.000 0.758 159 A CB -1.524 17.447 19.000 -0.047 0.000 0.991 159 A HN 0.878 nan 8.150 nan 0.000 0.502 160 G N 1.145 109.910 108.800 -0.059 0.000 2.205 160 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.261 160 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.261 160 G C 0.796 175.663 174.900 -0.056 0.000 0.980 160 G CA 0.704 45.776 45.100 -0.046 0.000 0.632 160 G HN 0.724 nan 8.290 nan 0.000 0.533 161 E N 0.387 120.551 120.200 -0.061 0.000 2.085 161 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 161 E C 2.771 179.278 176.600 -0.156 0.000 0.994 161 E CA 1.252 57.593 56.400 -0.097 0.000 0.801 161 E CB -0.302 29.340 29.700 -0.097 0.000 0.743 161 E HN 0.663 nan 8.360 nan 0.000 0.453 162 L N 1.285 122.417 121.223 -0.152 0.000 2.265 162 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 162 L C 1.705 178.492 176.870 -0.139 0.000 1.117 162 L CA 0.749 55.473 54.840 -0.194 0.000 0.782 162 L CB -0.702 41.285 42.059 -0.120 0.000 0.914 162 L HN 0.059 nan 8.230 nan 0.000 0.441 163 N N 0.768 119.426 118.700 -0.070 0.000 2.348 163 N HA -0.161 4.579 4.740 -0.000 0.000 0.185 163 N C 1.586 177.043 175.510 -0.088 0.000 1.019 163 N CA 1.027 54.053 53.050 -0.039 0.000 0.880 163 N CB -0.200 38.278 38.487 -0.015 0.000 0.965 163 N HN 0.436 nan 8.380 nan 0.000 0.437 164 K N 0.271 120.588 120.400 -0.139 0.000 2.217 164 K HA 0.040 4.360 4.320 -0.000 0.000 0.202 164 K C 0.419 176.881 176.600 -0.231 0.000 1.051 164 K CA 0.243 56.435 56.287 -0.157 0.000 0.952 164 K CB -0.013 32.391 32.500 -0.159 0.000 0.736 164 K HN 0.177 nan 8.250 nan 0.000 0.453 165 L N 3.454 124.460 121.223 -0.362 0.000 2.499 165 L HA 0.003 4.343 4.340 -0.000 0.000 0.273 165 L C -1.094 175.578 176.870 -0.330 0.000 1.195 165 L CA -1.062 53.431 54.840 -0.578 0.000 0.882 165 L CB 0.233 41.714 42.059 -0.962 0.000 1.133 165 L HN 0.015 nan 8.230 nan 0.000 0.483 166 P HA -0.054 nan 4.420 nan 0.000 0.231 166 P C -0.394 177.021 177.300 0.193 0.000 1.168 166 P CA 0.916 64.009 63.100 -0.012 0.000 0.779 166 P CB 0.187 31.954 31.700 0.113 0.000 0.844 167 F N -3.473 116.642 119.950 0.274 0.000 2.770 167 F HA 0.683 5.210 4.527 0.000 0.000 0.313 167 F C -0.287 175.770 175.800 0.429 0.000 1.154 167 F CA -1.702 56.483 58.000 0.309 0.000 0.923 167 F CB 0.120 39.296 39.000 0.293 0.000 1.301 167 F HN -0.172 nan 8.300 nan 0.000 0.449 168 G N -0.226 108.943 108.800 0.615 0.000 2.483 168 G HA2 0.579 4.539 3.960 -0.000 0.000 0.248 168 G HA3 0.579 4.539 3.960 -0.000 0.000 0.248 168 G C -0.145 175.102 174.900 0.578 0.000 1.248 168 G CA 0.061 45.481 45.100 0.534 0.000 0.838 168 G HN 1.733 nan 8.290 nan 0.000 0.566 169 G N -1.447 107.625 108.800 0.455 0.000 2.336 169 G HA2 0.402 4.362 3.960 -0.000 0.000 0.286 169 G HA3 0.402 4.362 3.960 -0.000 0.000 0.286 169 G C -1.676 173.164 174.900 -0.100 0.000 1.269 169 G CA -0.308 44.761 45.100 -0.052 0.000 0.873 169 G HN 1.080 nan 8.290 nan 0.000 0.494 170 V N 0.642 120.348 119.914 -0.347 0.000 2.311 170 V HA 0.481 4.601 4.120 -0.000 0.000 0.275 170 V C -1.081 174.927 176.094 -0.143 0.000 1.022 170 V CA -0.249 61.967 62.300 -0.141 0.000 0.830 170 V CB 0.640 32.351 31.823 -0.186 0.000 1.012 170 V HN 0.507 nan 8.190 nan 0.000 0.452 171 W N 4.151 125.485 121.300 0.056 0.000 2.314 171 W HA 0.516 5.176 4.660 0.000 0.000 0.310 171 W C 0.380 177.067 176.519 0.279 0.000 1.075 171 W CA -0.394 57.036 57.345 0.141 0.000 1.253 171 W CB 0.805 30.310 29.460 0.075 0.000 1.238 171 W HN 0.391 nan 8.180 nan 0.000 0.440 172 N N 2.136 121.056 118.700 0.366 0.000 2.361 172 N HA 0.772 5.512 4.740 -0.000 0.000 0.302 172 N C -0.909 174.550 175.510 -0.084 0.000 1.074 172 N CA -0.427 52.725 53.050 0.170 0.000 0.850 172 N CB 2.141 40.655 38.487 0.046 0.000 1.228 172 N HN 0.454 nan 8.380 nan 0.000 0.491 173 A N 0.964 123.563 122.820 -0.368 0.000 2.515 173 A HA 0.700 5.020 4.320 -0.000 0.000 0.296 173 A C -1.192 176.197 177.584 -0.324 0.000 1.094 173 A CA -0.544 51.114 52.037 -0.632 0.000 0.718 173 A CB 1.407 19.467 19.000 -1.566 0.000 1.307 173 A HN 0.317 nan 8.150 nan 0.000 0.408 174 V N 1.975 121.742 119.914 -0.247 0.000 2.398 174 V HA 0.329 4.449 4.120 -0.000 0.000 0.282 174 V C -0.794 175.230 176.094 -0.116 0.000 1.014 174 V CA -0.295 61.922 62.300 -0.138 0.000 0.838 174 V CB 0.914 32.686 31.823 -0.085 0.000 1.018 174 V HN 0.804 nan 8.190 nan 0.000 0.432 175 L N 5.827 126.992 121.223 -0.098 0.000 2.331 175 L HA 0.533 4.873 4.340 -0.000 0.000 0.278 175 L C -0.093 176.774 176.870 -0.006 0.000 1.106 175 L CA 0.468 55.275 54.840 -0.054 0.000 0.824 175 L CB 0.586 42.621 42.059 -0.040 0.000 1.142 175 L HN 0.528 nan 8.230 nan 0.000 0.443 176 K N 6.387 126.793 120.400 0.010 0.000 2.397 176 K HA 0.651 4.971 4.320 -0.000 0.000 0.253 176 K C -1.519 175.113 176.600 0.054 0.000 0.932 176 K CA -0.531 55.782 56.287 0.042 0.000 0.795 176 K CB 1.871 34.388 32.500 0.028 0.000 1.159 176 K HN 0.556 nan 8.250 nan 0.000 0.424 177 L N 2.711 123.987 121.223 0.089 0.000 2.409 177 L HA 0.381 4.721 4.340 -0.000 0.000 0.272 177 L C -0.714 176.188 176.870 0.054 0.000 0.980 177 L CA -1.125 53.764 54.840 0.081 0.000 0.826 177 L CB 1.856 43.979 42.059 0.107 0.000 1.268 177 L HN 0.524 nan 8.230 nan 0.000 0.407 178 N N 1.821 120.536 118.700 0.025 0.000 2.514 178 N HA 0.295 5.035 4.740 -0.000 0.000 0.277 178 N C -0.678 174.785 175.510 -0.079 0.000 1.126 178 N CA -0.234 52.803 53.050 -0.022 0.000 0.978 178 N CB 2.036 40.502 38.487 -0.034 0.000 1.106 178 N HN 0.167 nan 8.380 nan 0.000 0.461 179 V N 3.103 122.934 119.914 -0.139 0.000 2.370 179 V HA 0.398 4.518 4.120 -0.000 0.000 0.279 179 V C 0.228 176.226 176.094 -0.160 0.000 1.029 179 V CA -0.454 61.690 62.300 -0.260 0.000 0.870 179 V CB 0.594 32.282 31.823 -0.226 0.000 0.984 179 V HN 0.573 nan 8.190 nan 0.000 0.451 180 K N 3.523 123.760 120.400 -0.271 0.000 2.439 180 K HA 0.675 4.995 4.320 -0.000 0.000 0.260 180 K C -0.787 175.739 176.600 -0.123 0.000 1.032 180 K CA -1.133 55.014 56.287 -0.234 0.000 0.882 180 K CB 2.362 34.710 32.500 -0.254 0.000 1.420 180 K HN 0.506 nan 8.250 nan 0.000 0.455 181 R N 1.735 122.131 120.500 -0.174 0.000 2.229 181 R HA 0.182 4.522 4.340 -0.000 0.000 0.328 181 R C -0.342 175.895 176.300 -0.106 0.000 1.009 181 R CA -0.575 55.506 56.100 -0.032 0.000 0.864 181 R CB 0.938 31.245 30.300 0.013 0.000 1.085 181 R HN 0.616 nan 8.270 nan 0.000 0.453 182 R N 4.076 124.532 120.500 -0.073 0.000 2.500 182 R HA -0.203 4.137 4.340 -0.000 0.000 0.281 182 R C -0.626 175.683 176.300 0.016 0.000 0.953 182 R CA 0.939 56.999 56.100 -0.067 0.000 1.108 182 R CB 0.034 30.350 30.300 0.027 0.000 0.901 182 R HN 0.878 nan 8.270 nan 0.000 0.410 183 Y N 0.650 120.929 120.300 -0.034 0.000 3.978 183 Y HA -0.405 4.145 4.550 0.000 0.000 0.219 183 Y C 0.290 176.154 175.900 -0.059 0.000 1.153 183 Y CA 1.392 59.472 58.100 -0.033 0.000 1.718 183 Y CB -0.898 37.560 38.460 -0.003 0.000 1.541 183 Y HN 0.806 nan 8.280 nan 0.000 0.640 184 D N -1.947 118.455 120.400 0.004 0.000 3.703 184 D HA 0.232 4.872 4.640 -0.000 0.000 0.315 184 D C -0.277 175.930 176.300 -0.155 0.000 1.464 184 D CA 0.308 54.275 54.000 -0.055 0.000 0.982 184 D CB 0.658 41.423 40.800 -0.058 0.000 1.391 184 D HN -0.168 nan 8.370 nan 0.000 0.625 185 T N 0.569 114.977 114.554 -0.243 0.000 2.946 185 T HA 0.296 4.646 4.350 -0.000 0.000 0.311 185 T C 0.035 174.397 174.700 -0.563 0.000 1.063 185 T CA 0.343 62.211 62.100 -0.387 0.000 1.139 185 T CB 0.303 68.869 68.868 -0.502 0.000 0.994 185 T HN 0.145 nan 8.240 nan 0.000 0.547 186 T N 3.086 117.399 114.554 -0.401 0.000 2.744 186 T HA 0.270 4.620 4.350 -0.000 0.000 0.291 186 T C 0.455 174.966 174.700 -0.315 0.000 0.957 186 T CA -0.437 61.460 62.100 -0.337 0.000 1.002 186 T CB 0.385 69.152 68.868 -0.169 0.000 0.919 186 T HN 0.585 nan 8.240 nan 0.000 0.468 187 Y N 2.150 122.416 120.300 -0.057 0.000 2.490 187 Y HA 0.400 4.950 4.550 -0.000 0.000 0.285 187 Y C 1.784 177.680 175.900 -0.007 0.000 1.117 187 Y CA 0.229 58.311 58.100 -0.030 0.000 1.262 187 Y CB 0.480 38.914 38.460 -0.044 0.000 1.043 187 Y HN 0.895 nan 8.280 nan 0.000 0.553 188 G N -1.059 107.811 108.800 0.117 0.000 2.333 188 G HA2 0.296 4.256 3.960 -0.000 0.000 0.288 188 G HA3 0.296 4.256 3.960 -0.000 0.000 0.288 188 G C -1.461 173.488 174.900 0.082 0.000 1.286 188 G CA -0.867 44.295 45.100 0.104 0.000 0.865 188 G HN -0.218 nan 8.290 nan 0.000 0.506 189 T N 0.509 115.142 114.554 0.132 0.000 2.861 189 T HA 0.572 4.922 4.350 -0.000 0.000 0.287 189 T C -1.132 173.760 174.700 0.321 0.000 1.003 189 T CA -0.200 61.987 62.100 0.144 0.000 0.977 189 T CB 1.334 70.259 68.868 0.094 0.000 0.996 189 T HN 0.384 nan 8.240 nan 0.000 0.448 190 Y N 1.711 122.055 120.300 0.074 0.000 2.350 190 Y HA 0.304 4.854 4.550 0.000 0.000 0.340 190 Y C 0.899 176.807 175.900 0.014 0.000 1.006 190 Y CA -0.862 57.266 58.100 0.047 0.000 1.166 190 Y CB 1.001 39.494 38.460 0.055 0.000 1.168 190 Y HN 0.465 nan 8.280 nan 0.000 0.502 191 T N 6.266 120.892 114.554 0.120 0.000 2.756 191 T HA 0.438 4.788 4.350 -0.000 0.000 0.290 191 T C -0.188 174.507 174.700 -0.009 0.000 0.985 191 T CA -0.419 61.707 62.100 0.044 0.000 0.955 191 T CB 0.130 69.011 68.868 0.022 0.000 0.930 191 T HN 0.402 nan 8.240 nan 0.000 0.451 192 I N 4.314 124.874 120.570 -0.016 0.000 2.390 192 I HA 0.285 4.455 4.170 -0.000 0.000 0.283 192 I C -0.001 176.083 176.117 -0.054 0.000 1.016 192 I CA -0.878 60.392 61.300 -0.049 0.000 1.151 192 I CB 0.925 38.897 38.000 -0.045 0.000 1.293 192 I HN 0.458 nan 8.210 nan 0.000 0.458 193 N N 8.199 126.867 118.700 -0.053 0.000 2.458 193 N HA 0.447 5.187 4.740 -0.000 0.000 0.270 193 N C -0.608 174.883 175.510 -0.031 0.000 1.102 193 N CA -0.016 53.005 53.050 -0.049 0.000 0.967 193 N CB 1.951 40.416 38.487 -0.037 0.000 1.078 193 N HN 0.470 nan 8.380 nan 0.000 0.471 194 I N 1.392 121.945 120.570 -0.028 0.000 2.418 194 I HA 0.200 4.370 4.170 -0.000 0.000 0.287 194 I C -0.089 176.101 176.117 0.121 0.000 1.008 194 I CA -0.501 60.830 61.300 0.052 0.000 1.104 194 I CB 1.859 39.926 38.000 0.111 0.000 1.264 194 I HN 0.156 nan 8.210 nan 0.000 0.438 195 T N 5.663 120.287 114.554 0.118 0.000 2.786 195 T HA 0.433 4.783 4.350 -0.000 0.000 0.283 195 T C -0.280 174.503 174.700 0.138 0.000 0.992 195 T CA -0.415 61.770 62.100 0.142 0.000 0.954 195 T CB 1.773 70.689 68.868 0.080 0.000 0.934 195 T HN 0.179 nan 8.240 nan 0.000 0.440 196 V N 5.117 125.151 119.914 0.201 0.000 2.357 196 V HA 0.351 4.471 4.120 -0.000 0.000 0.284 196 V C -0.084 176.121 176.094 0.185 0.000 1.018 196 V CA -1.063 61.299 62.300 0.103 0.000 0.841 196 V CB 1.156 32.979 31.823 0.001 0.000 0.991 196 V HN 0.748 nan 8.190 nan 0.000 0.437 197 N N 4.712 123.505 118.700 0.156 0.000 2.469 197 N HA 0.299 5.039 4.740 -0.000 0.000 0.239 197 N C -0.756 174.925 175.510 0.285 0.000 1.053 197 N CA -0.291 52.919 53.050 0.267 0.000 0.937 197 N CB 1.551 40.176 38.487 0.230 0.000 1.163 197 N HN 0.503 nan 8.380 nan 0.000 0.509 198 L N 2.917 124.381 121.223 0.400 0.000 2.277 198 L HA 0.323 4.663 4.340 -0.000 0.000 0.284 198 L C 0.592 177.673 176.870 0.351 0.000 1.028 198 L CA -0.377 54.655 54.840 0.319 0.000 0.835 198 L CB 0.549 42.794 42.059 0.309 0.000 1.215 198 L HN 0.431 nan 8.230 nan 0.000 0.425 199 T N -0.095 114.526 114.554 0.112 0.000 2.881 199 T HA 0.448 4.798 4.350 -0.000 0.000 0.278 199 T C -0.143 174.574 174.700 0.029 0.000 0.982 199 T CA -0.667 61.423 62.100 -0.016 0.000 0.989 199 T CB 1.400 70.133 68.868 -0.225 0.000 1.058 199 T HN 0.497 nan 8.240 nan 0.000 0.529 200 D N -0.721 119.691 120.400 0.021 0.000 2.849 200 D HA 0.272 4.912 4.640 -0.000 0.000 0.314 200 D C 0.879 177.183 176.300 0.006 0.000 1.210 200 D CA -0.493 53.533 54.000 0.044 0.000 0.756 200 D CB 0.329 41.214 40.800 0.142 0.000 1.222 200 D HN 0.605 nan 8.370 nan 0.000 0.521 201 K N -0.349 120.028 120.400 -0.038 0.000 2.074 201 K HA -0.095 4.225 4.320 -0.000 0.000 0.209 201 K C 1.930 178.532 176.600 0.002 0.000 1.048 201 K CA 1.374 57.636 56.287 -0.042 0.000 0.926 201 K CB 0.081 32.544 32.500 -0.063 0.000 0.713 201 K HN 0.264 nan 8.250 nan 0.000 0.444 202 G N 0.903 109.715 108.800 0.021 0.000 2.498 202 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 202 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 202 G C 1.138 176.092 174.900 0.090 0.000 1.119 202 G CA 0.560 45.689 45.100 0.047 0.000 0.766 202 G HN 0.212 nan 8.290 nan 0.000 0.552 203 N N -0.023 118.747 118.700 0.116 0.000 2.230 203 N HA 0.180 4.920 4.740 -0.000 0.000 0.202 203 N C 0.371 176.031 175.510 0.250 0.000 1.119 203 N CA -0.214 52.958 53.050 0.203 0.000 0.851 203 N CB 0.634 39.283 38.487 0.269 0.000 0.990 203 N HN 0.258 nan 8.380 nan 0.000 0.497 204 I N 2.276 122.927 120.570 0.134 0.000 2.618 204 I HA -0.070 4.100 4.170 -0.000 0.000 0.284 204 I C 0.549 176.836 176.117 0.284 0.000 1.146 204 I CA 0.462 61.851 61.300 0.149 0.000 1.425 204 I CB 0.299 38.322 38.000 0.038 0.000 1.383 204 I HN 0.134 nan 8.210 nan 0.000 0.562 205 Q N 5.906 125.973 119.800 0.445 0.000 2.687 205 Q HA 0.546 4.886 4.340 -0.000 0.000 0.295 205 Q C -1.558 174.701 176.000 0.431 0.000 0.920 205 Q CA -0.985 55.069 55.803 0.417 0.000 0.766 205 Q CB 1.803 30.756 28.738 0.358 0.000 1.467 205 Q HN 0.482 nan 8.270 nan 0.000 0.415 206 I N 1.959 122.686 120.570 0.263 0.000 2.306 206 I HA 0.306 4.476 4.170 -0.000 0.000 0.288 206 I C -0.594 175.564 176.117 0.068 0.000 1.036 206 I CA -0.471 60.821 61.300 -0.013 0.000 1.221 206 I CB 0.568 38.494 38.000 -0.122 0.000 1.385 206 I HN 0.452 nan 8.210 nan 0.000 0.472 207 W N 8.245 129.471 121.300 -0.124 0.000 2.365 207 W HA 0.416 5.076 4.660 0.000 0.000 0.316 207 W C -1.875 174.594 176.519 -0.083 0.000 1.164 207 W CA -0.797 56.509 57.345 -0.065 0.000 1.204 207 W CB 1.345 30.773 29.460 -0.055 0.000 1.213 207 W HN 0.217 nan 8.180 nan 0.000 0.539 208 L N 9.934 130.715 121.223 -0.737 0.000 2.353 208 L HA 0.279 4.619 4.340 -0.000 0.000 0.270 208 L C -1.154 175.157 176.870 -0.930 0.000 1.003 208 L CA -2.671 51.822 54.840 -0.577 0.000 0.862 208 L CB 1.101 43.037 42.059 -0.205 0.000 1.221 208 L HN 0.305 nan 8.230 nan 0.000 0.430 209 P HA -0.199 nan 4.420 nan 0.000 0.216 209 P C 0.677 177.717 177.300 -0.433 0.000 1.150 209 P CA 1.286 64.072 63.100 -0.522 0.000 0.843 209 P CB 0.462 32.080 31.700 -0.136 0.000 0.787 210 Q N -1.414 118.101 119.800 -0.474 0.000 2.425 210 Q HA 0.147 4.487 4.340 -0.000 0.000 0.204 210 Q C 0.099 175.518 176.000 -0.968 0.000 0.933 210 Q CA 0.370 55.749 55.803 -0.707 0.000 0.939 210 Q CB -0.099 28.115 28.738 -0.875 0.000 1.044 210 Q HN 0.395 nan 8.270 nan 0.000 0.513 211 F N -0.422 119.372 119.950 -0.260 0.000 2.612 211 F HA 0.355 4.881 4.527 -0.000 0.000 0.332 211 F C 1.051 176.698 175.800 -0.255 0.000 1.167 211 F CA -0.784 57.092 58.000 -0.207 0.000 0.970 211 F CB 1.581 40.483 39.000 -0.162 0.000 1.234 211 F HN -0.303 nan 8.300 nan 0.000 0.453 212 K N 0.954 121.337 120.400 -0.028 0.000 2.155 212 K HA 0.019 4.339 4.320 -0.000 0.000 0.203 212 K C 0.389 176.998 176.600 0.015 0.000 1.052 212 K CA 1.092 57.357 56.287 -0.037 0.000 0.948 212 K CB 0.137 32.642 32.500 0.008 0.000 0.728 212 K HN 0.659 nan 8.250 nan 0.000 0.448 213 S N -0.510 115.220 115.700 0.050 0.000 2.588 213 S HA 0.231 4.701 4.470 -0.000 0.000 0.269 213 S C -1.166 173.447 174.600 0.021 0.000 1.157 213 S CA -1.199 57.020 58.200 0.032 0.000 0.824 213 S CB 1.047 64.266 63.200 0.031 0.000 1.126 213 S HN 0.291 nan 8.310 nan 0.000 0.464 214 N N 0.348 119.030 118.700 -0.031 0.000 2.642 214 N HA -0.156 4.584 4.740 -0.000 0.000 0.269 214 N C 0.128 175.500 175.510 -0.231 0.000 1.073 214 N CA 0.891 53.890 53.050 -0.086 0.000 0.748 214 N CB -1.281 37.181 38.487 -0.041 0.000 0.894 214 N HN 1.240 nan 8.380 nan 0.000 0.548 215 A N 1.770 124.355 122.820 -0.392 0.000 2.477 215 A HA 0.432 4.752 4.320 -0.000 0.000 0.246 215 A C 0.690 177.781 177.584 -0.821 0.000 1.078 215 A CA 0.274 51.693 52.037 -1.031 0.000 0.770 215 A CB 0.547 19.093 19.000 -0.757 0.000 1.011 215 A HN 0.478 nan 8.150 nan 0.000 0.494 216 R N 0.790 120.645 120.500 -1.076 0.000 2.564 216 R HA 0.544 4.883 4.340 -0.000 0.000 0.284 216 R C -1.471 174.670 176.300 -0.264 0.000 1.031 216 R CA -0.593 55.242 56.100 -0.442 0.000 0.904 216 R CB 2.359 32.528 30.300 -0.219 0.000 1.199 216 R HN 0.622 nan 8.270 nan 0.000 0.443 217 V N -1.173 118.645 119.914 -0.160 0.000 2.823 217 V HA 0.531 4.651 4.120 -0.000 0.000 0.312 217 V C -0.526 175.520 176.094 -0.079 0.000 1.072 217 V CA -0.952 61.307 62.300 -0.069 0.000 0.937 217 V CB 2.270 34.050 31.823 -0.073 0.000 1.013 217 V HN 0.702 nan 8.190 nan 0.000 0.430 218 D N 1.669 122.039 120.400 -0.050 0.000 2.248 218 D HA 0.427 5.067 4.640 -0.000 0.000 0.246 218 D C 0.703 176.959 176.300 -0.074 0.000 1.027 218 D CA -0.567 53.397 54.000 -0.059 0.000 0.853 218 D CB 2.520 43.306 40.800 -0.024 0.000 1.243 218 D HN 0.574 nan 8.370 nan 0.000 0.462 219 L N 2.330 123.490 121.223 -0.105 0.000 2.456 219 L HA -0.111 4.229 4.340 -0.000 0.000 0.224 219 L C 0.390 177.229 176.870 -0.051 0.000 1.148 219 L CA 0.345 55.120 54.840 -0.108 0.000 0.825 219 L CB -0.461 41.509 42.059 -0.149 0.000 0.937 219 L HN 0.510 nan 8.230 nan 0.000 0.450 220 N N 0.543 119.227 118.700 -0.027 0.000 2.714 220 N HA -0.181 4.559 4.740 -0.000 0.000 0.253 220 N C -0.509 175.009 175.510 0.014 0.000 1.024 220 N CA 0.479 53.528 53.050 -0.003 0.000 0.726 220 N CB -1.373 37.111 38.487 -0.005 0.000 0.908 220 N HN 0.059 nan 8.380 nan 0.000 0.542 221 L N 0.731 121.971 121.223 0.029 0.000 2.455 221 L HA 0.159 4.499 4.340 -0.000 0.000 0.272 221 L C 0.958 177.906 176.870 0.129 0.000 1.174 221 L CA 0.862 55.751 54.840 0.081 0.000 0.869 221 L CB 0.351 42.458 42.059 0.081 0.000 1.130 221 L HN 0.118 nan 8.230 nan 0.000 0.474 222 R N 4.962 125.525 120.500 0.106 0.000 2.686 222 R HA 0.502 4.842 4.340 -0.000 0.000 0.283 222 R C -2.487 173.735 176.300 -0.129 0.000 0.978 222 R CA -1.796 54.325 56.100 0.036 0.000 0.897 222 R CB 1.404 31.699 30.300 -0.009 0.000 1.192 222 R HN 0.391 nan 8.270 nan 0.000 0.457 223 P HA -0.007 nan 4.420 nan 0.000 0.268 223 P C -0.321 176.766 177.300 -0.356 0.000 1.204 223 P CA 0.124 62.769 63.100 -0.759 0.000 0.768 223 P CB 1.152 32.484 31.700 -0.613 0.000 0.842 224 T N 0.758 115.127 114.554 -0.309 0.000 3.001 224 T HA 0.355 4.705 4.350 -0.000 0.000 0.251 224 T C 0.657 175.279 174.700 -0.130 0.000 1.040 224 T CA 0.734 62.738 62.100 -0.159 0.000 0.985 224 T CB -0.304 68.501 68.868 -0.104 0.000 1.011 224 T HN 0.886 nan 8.240 nan 0.000 0.509 225 G N -0.122 108.579 108.800 -0.165 0.000 2.712 225 G HA2 0.355 4.315 3.960 -0.000 0.000 0.686 225 G HA3 0.355 4.315 3.960 -0.000 0.000 0.686 225 G C 0.585 175.446 174.900 -0.064 0.000 1.181 225 G CA -0.427 44.612 45.100 -0.101 0.000 0.762 225 G HN 0.977 nan 8.290 nan 0.000 0.641 226 G N -0.663 108.117 108.800 -0.034 0.000 2.157 226 G HA2 0.398 4.358 3.960 -0.000 0.000 0.248 226 G HA3 0.398 4.358 3.960 -0.000 0.000 0.248 226 G C 1.876 176.787 174.900 0.018 0.000 0.979 226 G CA 1.016 46.112 45.100 -0.006 0.000 0.650 226 G HN 3.161 nan 8.290 nan 0.000 0.529 227 G N -2.035 106.775 108.800 0.018 0.000 2.179 227 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.260 227 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.260 227 G C 0.434 175.433 174.900 0.165 0.000 0.977 227 G CA 0.987 46.152 45.100 0.109 0.000 0.641 227 G HN 1.631 nan 8.290 nan 0.000 0.533 228 T N 0.634 115.208 114.554 0.033 0.000 2.884 228 T HA 0.543 4.893 4.350 -0.000 0.000 0.298 228 T C -0.672 174.006 174.700 -0.037 0.000 0.998 228 T CA 0.449 62.583 62.100 0.056 0.000 1.124 228 T CB 0.748 69.617 68.868 0.002 0.000 0.931 228 T HN 0.224 nan 8.240 nan 0.000 0.531 229 Y N 2.647 122.941 120.300 -0.011 0.000 2.361 229 Y HA 0.570 5.120 4.550 -0.000 0.000 0.337 229 Y C 0.249 176.136 175.900 -0.022 0.000 0.965 229 Y CA -1.460 56.629 58.100 -0.018 0.000 1.091 229 Y CB 1.138 39.583 38.460 -0.026 0.000 1.182 229 Y HN 0.567 nan 8.280 nan 0.000 0.450 230 I N 0.326 120.945 120.570 0.082 0.000 2.603 230 I HA 1.096 5.266 4.170 -0.000 0.000 0.300 230 I C -0.277 175.863 176.117 0.039 0.000 1.017 230 I CA -0.626 60.702 61.300 0.045 0.000 1.098 230 I CB 2.394 40.401 38.000 0.012 0.000 1.279 230 I HN 0.659 nan 8.210 nan 0.000 0.437 231 G N 4.244 113.057 108.800 0.021 0.000 2.696 231 G HA2 0.718 4.678 3.960 -0.000 0.000 0.295 231 G HA3 0.718 4.678 3.960 -0.000 0.000 0.295 231 G C -1.855 173.041 174.900 -0.008 0.000 1.398 231 G CA -1.027 44.075 45.100 0.004 0.000 0.920 231 G HN 0.920 nan 8.290 nan 0.000 0.492 232 R N 0.842 121.333 120.500 -0.015 0.000 2.536 232 R HA 0.544 4.884 4.340 -0.000 0.000 0.269 232 R C -1.968 174.318 176.300 -0.023 0.000 1.113 232 R CA -0.709 55.380 56.100 -0.019 0.000 0.948 232 R CB 1.849 32.142 30.300 -0.012 0.000 1.237 232 R HN 0.593 nan 8.270 nan 0.000 0.441 233 N N 0.553 119.235 118.700 -0.030 0.000 2.927 233 N HA 0.438 5.178 4.740 -0.000 0.000 0.248 233 N C -2.077 173.419 175.510 -0.024 0.000 1.443 233 N CA -0.282 52.753 53.050 -0.025 0.000 0.870 233 N CB 2.496 40.964 38.487 -0.031 0.000 1.444 233 N HN 0.659 nan 8.380 nan 0.000 0.519 234 S N -0.723 114.972 115.700 -0.009 0.000 2.588 234 S HA 0.802 5.272 4.470 -0.000 0.000 0.275 234 S C -1.479 173.135 174.600 0.023 0.000 1.130 234 S CA -0.597 57.601 58.200 -0.003 0.000 0.855 234 S CB 1.503 64.700 63.200 -0.003 0.000 1.116 234 S HN 0.239 nan 8.310 nan 0.000 0.472 235 V N 1.931 121.863 119.914 0.029 0.000 2.483 235 V HA 0.457 4.577 4.120 -0.000 0.000 0.297 235 V C -1.088 175.034 176.094 0.047 0.000 1.027 235 V CA -0.734 61.606 62.300 0.067 0.000 0.855 235 V CB 1.720 33.588 31.823 0.075 0.000 0.995 235 V HN 0.938 nan 8.190 nan 0.000 0.424 236 D N 6.085 126.504 120.400 0.032 0.000 2.304 236 D HA 0.633 5.273 4.640 -0.000 0.000 0.250 236 D C -0.020 176.266 176.300 -0.022 0.000 1.107 236 D CA 0.094 54.100 54.000 0.010 0.000 0.885 236 D CB 1.616 42.410 40.800 -0.010 0.000 1.192 236 D HN 0.630 nan 8.370 nan 0.000 0.436 237 M N -0.367 119.216 119.600 -0.029 0.000 2.622 237 M HA 0.584 5.064 4.480 -0.000 0.000 0.276 237 M C -1.566 174.683 176.300 -0.086 0.000 1.265 237 M CA -0.917 54.307 55.300 -0.126 0.000 0.850 237 M CB 2.315 34.762 32.600 -0.256 0.000 1.720 237 M HN 0.266 nan 8.290 nan 0.000 0.465 238 c N 1.846 120.384 118.600 -0.104 0.000 2.516 238 c HA 0.707 5.277 4.570 -0.000 0.000 0.338 238 c C -1.265 172.780 174.090 -0.075 0.000 1.132 238 c CA -0.492 55.857 56.329 0.033 0.000 1.310 238 c CB 0.661 43.294 42.510 0.205 0.000 1.898 238 c HN 0.784 nan 8.230 nan 0.000 0.452 239 F N 5.147 125.148 119.950 0.084 0.000 2.445 239 F HA 0.380 4.907 4.527 -0.000 0.000 0.359 239 F C -0.007 175.941 175.800 0.247 0.000 1.101 239 F CA 0.005 57.941 58.000 -0.106 0.000 1.177 239 F CB 0.375 39.076 39.000 -0.498 0.000 1.110 239 F HN 0.574 nan 8.300 nan 0.000 0.522 240 Y N 4.409 124.902 120.300 0.321 0.000 2.341 240 Y HA 0.256 4.805 4.550 -0.000 0.000 0.338 240 Y C 0.408 176.607 175.900 0.500 0.000 0.965 240 Y CA -1.976 56.296 58.100 0.286 0.000 1.108 240 Y CB 1.037 39.571 38.460 0.123 0.000 1.180 240 Y HN 0.625 nan 8.280 nan 0.000 0.458 241 D N 2.628 122.972 120.400 -0.094 0.000 2.340 241 D HA 0.130 4.770 4.640 -0.000 0.000 0.217 241 D C 1.470 177.532 176.300 -0.397 0.000 1.081 241 D CA 0.423 54.401 54.000 -0.037 0.000 0.842 241 D CB -0.255 40.724 40.800 0.299 0.000 0.934 241 D HN 0.929 nan 8.370 nan 0.000 0.511 242 G N 0.486 108.528 108.800 -1.264 0.000 2.296 242 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.282 242 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.282 242 G C 0.007 174.872 174.900 -0.058 0.000 1.014 242 G CA 0.752 45.460 45.100 -0.654 0.000 0.812 242 G HN 0.463 nan 8.290 nan 0.000 0.508 243 Y N -0.528 119.615 120.300 -0.262 0.000 2.830 243 Y HA 0.433 4.983 4.550 -0.000 0.000 0.248 243 Y C 1.059 176.947 175.900 -0.021 0.000 1.119 243 Y CA -0.250 57.828 58.100 -0.037 0.000 1.164 243 Y CB 0.235 38.680 38.460 -0.024 0.000 1.237 243 Y HN 0.672 nan 8.280 nan 0.000 0.598 244 S N 1.269 116.973 115.700 0.007 0.000 3.533 244 S HA -0.268 4.202 4.470 -0.000 0.000 0.347 244 S C 0.827 175.262 174.600 -0.275 0.000 1.101 244 S CA 2.372 60.497 58.200 -0.125 0.000 1.009 244 S CB -1.875 61.262 63.200 -0.105 0.000 0.916 244 S HN 1.574 nan 8.310 nan 0.000 0.496 245 T N -2.170 112.185 114.554 -0.331 0.000 4.146 245 T HA -0.244 4.106 4.350 -0.000 0.000 0.336 245 T C 0.400 175.092 174.700 -0.012 0.000 0.762 245 T CA 1.431 63.258 62.100 -0.456 0.000 1.914 245 T CB -2.272 66.054 68.868 -0.903 0.000 1.897 245 T HN 0.673 nan 8.240 nan 0.000 0.862 246 N N 0.354 119.036 118.700 -0.031 0.000 2.463 246 N HA 0.066 4.806 4.740 -0.000 0.000 0.181 246 N C 0.372 176.016 175.510 0.225 0.000 1.078 246 N CA 0.451 53.482 53.050 -0.031 0.000 0.902 246 N CB 0.217 38.428 38.487 -0.460 0.000 0.970 246 N HN 0.672 nan 8.380 nan 0.000 0.451 247 S N 0.358 116.308 115.700 0.416 0.000 2.560 247 S HA 0.013 4.483 4.470 -0.000 0.000 0.284 247 S C 1.455 176.204 174.600 0.247 0.000 1.327 247 S CA -0.370 58.047 58.200 0.361 0.000 1.055 247 S CB 1.143 64.578 63.200 0.390 0.000 0.868 247 S HN 0.370 nan 8.310 nan 0.000 0.506 248 S N 0.983 116.761 115.700 0.130 0.000 2.501 248 S HA 0.148 4.618 4.470 -0.000 0.000 0.220 248 S C 0.586 175.178 174.600 -0.014 0.000 0.997 248 S CA 0.142 58.380 58.200 0.064 0.000 0.919 248 S CB -0.185 63.043 63.200 0.047 0.000 0.778 248 S HN 0.813 nan 8.310 nan 0.000 0.523 249 S N 0.259 115.929 115.700 -0.051 0.000 2.565 249 S HA 0.704 5.174 4.470 -0.000 0.000 0.269 249 S C -1.388 173.113 174.600 -0.166 0.000 1.153 249 S CA -1.151 56.971 58.200 -0.129 0.000 0.835 249 S CB 1.019 64.166 63.200 -0.088 0.000 1.122 249 S HN 0.270 nan 8.310 nan 0.000 0.462 250 L N 1.257 122.354 121.223 -0.211 0.000 2.362 250 L HA 0.638 4.978 4.340 -0.000 0.000 0.275 250 L C -0.239 176.578 176.870 -0.089 0.000 0.998 250 L CA -0.555 54.203 54.840 -0.136 0.000 0.820 250 L CB 1.900 43.800 42.059 -0.265 0.000 1.270 250 L HN 0.854 nan 8.230 nan 0.000 0.415 251 E N 3.837 124.016 120.200 -0.036 0.000 2.133 251 E HA 0.627 4.977 4.350 -0.000 0.000 0.274 251 E C -1.413 175.212 176.600 0.043 0.000 0.930 251 E CA -0.473 55.911 56.400 -0.027 0.000 0.770 251 E CB 1.581 31.253 29.700 -0.046 0.000 1.104 251 E HN 0.494 nan 8.360 nan 0.000 0.403 252 I N 3.852 124.417 120.570 -0.009 0.000 2.647 252 I HA 0.512 4.682 4.170 -0.000 0.000 0.295 252 I C -0.391 175.707 176.117 -0.032 0.000 1.078 252 I CA -0.861 60.415 61.300 -0.039 0.000 1.048 252 I CB 2.167 40.039 38.000 -0.215 0.000 1.239 252 I HN 0.420 nan 8.210 nan 0.000 0.421 253 R N 4.667 125.088 120.500 -0.131 0.000 2.643 253 R HA 0.560 4.900 4.340 -0.000 0.000 0.269 253 R C -2.243 173.910 176.300 -0.246 0.000 1.037 253 R CA -0.592 55.478 56.100 -0.050 0.000 0.894 253 R CB 2.119 32.430 30.300 0.017 0.000 1.238 253 R HN 0.412 nan 8.270 nan 0.000 0.459 254 F N 1.982 122.033 119.950 0.168 0.000 2.493 254 F HA 0.406 4.933 4.527 0.000 0.000 0.329 254 F C 0.040 176.030 175.800 0.317 0.000 1.126 254 F CA -0.533 57.597 58.000 0.217 0.000 0.937 254 F CB 2.210 41.318 39.000 0.180 0.000 1.146 254 F HN 0.396 nan 8.300 nan 0.000 0.442 255 Q N 2.484 122.532 119.800 0.412 0.000 2.340 255 Q HA 0.446 4.786 4.340 -0.000 0.000 0.276 255 Q C -1.938 174.251 176.000 0.314 0.000 1.048 255 Q CA -0.723 55.268 55.803 0.314 0.000 0.832 255 Q CB 2.506 31.338 28.738 0.157 0.000 1.373 255 Q HN 0.698 nan 8.270 nan 0.000 0.409 256 D N 1.109 121.678 120.400 0.281 0.000 2.374 256 D HA 0.294 4.934 4.640 -0.000 0.000 0.239 256 D C -0.088 176.308 176.300 0.161 0.000 0.991 256 D CA -0.412 53.750 54.000 0.270 0.000 0.960 256 D CB 1.314 42.363 40.800 0.415 0.000 1.284 256 D HN 0.513 nan 8.370 nan 0.000 0.512 257 D N 0.308 120.797 120.400 0.148 0.000 2.120 257 D HA -0.176 4.464 4.640 -0.000 0.000 0.191 257 D C 0.324 176.673 176.300 0.083 0.000 0.994 257 D CA 1.093 55.153 54.000 0.100 0.000 0.838 257 D CB -0.526 40.329 40.800 0.092 0.000 0.976 257 D HN 0.518 nan 8.370 nan 0.000 0.447 258 N N 1.958 120.718 118.700 0.101 0.000 2.921 258 N HA -0.047 4.693 4.740 -0.000 0.000 0.325 258 N C -0.540 175.006 175.510 0.060 0.000 1.194 258 N CA 0.256 53.349 53.050 0.072 0.000 1.184 258 N CB -0.433 38.111 38.487 0.096 0.000 1.433 258 N HN -0.068 nan 8.380 nan 0.000 0.539 259 S N 1.112 116.832 115.700 0.033 0.000 2.437 259 S HA 0.022 4.492 4.470 -0.000 0.000 0.304 259 S C 1.404 176.000 174.600 -0.006 0.000 1.167 259 S CA -0.412 57.792 58.200 0.008 0.000 1.106 259 S CB 0.169 63.371 63.200 0.003 0.000 1.099 259 S HN 0.496 nan 8.310 nan 0.000 0.524 260 K N 1.167 121.564 120.400 -0.005 0.000 2.440 260 K HA 0.361 4.681 4.320 -0.000 0.000 0.206 260 K C 0.463 177.055 176.600 -0.014 0.000 1.025 260 K CA -0.176 56.096 56.287 -0.025 0.000 1.135 260 K CB 0.229 32.682 32.500 -0.077 0.000 0.856 260 K HN 0.353 nan 8.250 nan 0.000 0.502 261 S N 1.766 117.455 115.700 -0.018 0.000 3.490 261 S HA -0.125 4.345 4.470 -0.000 0.000 0.301 261 S C 0.319 174.903 174.600 -0.027 0.000 1.233 261 S CA 1.388 59.573 58.200 -0.025 0.000 0.914 261 S CB -1.251 61.937 63.200 -0.019 0.000 1.047 261 S HN 0.860 nan 8.310 nan 0.000 0.602 262 D N -0.432 119.954 120.400 -0.024 0.000 2.433 262 D HA 0.401 5.041 4.640 -0.000 0.000 0.211 262 D C 1.418 177.672 176.300 -0.076 0.000 1.114 262 D CA 0.857 54.843 54.000 -0.024 0.000 0.837 262 D CB -0.448 40.365 40.800 0.023 0.000 0.984 262 D HN 1.012 nan 8.370 nan 0.000 0.505 263 G N 0.466 109.183 108.800 -0.138 0.000 2.159 263 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.256 263 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.256 263 G C 0.172 174.842 174.900 -0.383 0.000 0.977 263 G CA 0.325 45.291 45.100 -0.224 0.000 0.652 263 G HN 0.459 nan 8.290 nan 0.000 0.531 264 K N -0.806 119.372 120.400 -0.370 0.000 2.123 264 K HA 0.713 5.033 4.320 -0.000 0.000 0.248 264 K C -0.537 175.589 176.600 -0.791 0.000 0.969 264 K CA -0.731 55.248 56.287 -0.513 0.000 0.882 264 K CB 0.796 33.041 32.500 -0.426 0.000 1.080 264 K HN 0.042 nan 8.250 nan 0.000 0.441 265 F N 1.363 120.904 119.950 -0.681 0.000 2.469 265 F HA 0.403 4.930 4.527 -0.000 0.000 0.332 265 F C -0.583 174.694 175.800 -0.871 0.000 1.103 265 F CA -0.558 57.003 58.000 -0.733 0.000 0.979 265 F CB 1.021 39.329 39.000 -1.153 0.000 1.137 265 F HN 0.332 nan 8.300 nan 0.000 0.463 266 Y N 2.680 123.023 120.300 0.072 0.000 2.457 266 Y HA 0.574 5.124 4.550 -0.000 0.000 0.343 266 Y C -0.544 175.572 175.900 0.360 0.000 0.994 266 Y CA -1.033 57.190 58.100 0.206 0.000 1.031 266 Y CB 1.649 40.175 38.460 0.110 0.000 1.246 266 Y HN 0.301 nan 8.280 nan 0.000 0.449 267 L N 3.274 124.805 121.223 0.513 0.000 2.375 267 L HA 0.585 4.925 4.340 -0.000 0.000 0.268 267 L C -0.402 176.711 176.870 0.405 0.000 1.058 267 L CA -1.043 54.026 54.840 0.383 0.000 0.803 267 L CB 1.358 43.571 42.059 0.257 0.000 1.212 267 L HN 0.541 nan 8.230 nan 0.000 0.451 268 K N 1.448 122.040 120.400 0.321 0.000 2.316 268 K HA 0.322 4.642 4.320 -0.000 0.000 0.251 268 K C -0.885 175.744 176.600 0.047 0.000 0.934 268 K CA -0.971 55.447 56.287 0.218 0.000 0.802 268 K CB 2.695 35.256 32.500 0.103 0.000 1.171 268 K HN 0.388 nan 8.250 nan 0.000 0.426 269 K N 2.793 123.052 120.400 -0.234 0.000 2.412 269 K HA 0.061 4.381 4.320 -0.000 0.000 0.281 269 K C 1.024 177.460 176.600 -0.273 0.000 1.027 269 K CA 0.028 55.936 56.287 -0.632 0.000 0.989 269 K CB 0.370 32.471 32.500 -0.665 0.000 0.935 269 K HN 0.549 nan 8.250 nan 0.000 0.475 270 I N 3.333 123.763 120.570 -0.233 0.000 2.530 270 I HA -0.291 3.879 4.170 -0.000 0.000 0.257 270 I C 1.224 177.281 176.117 -0.099 0.000 1.179 270 I CA 0.873 62.102 61.300 -0.118 0.000 1.440 270 I CB -0.175 37.773 38.000 -0.087 0.000 1.087 270 I HN 0.663 nan 8.210 nan 0.000 0.440 271 N N -0.577 118.049 118.700 -0.123 0.000 2.282 271 N HA 0.019 4.759 4.740 -0.000 0.000 0.185 271 N C -0.072 175.391 175.510 -0.078 0.000 1.099 271 N CA 0.532 53.531 53.050 -0.086 0.000 0.878 271 N CB 0.553 38.989 38.487 -0.084 0.000 0.993 271 N HN 0.173 nan 8.380 nan 0.000 0.481 272 D N 0.134 120.475 120.400 -0.099 0.000 2.375 272 D HA 0.123 4.763 4.640 -0.000 0.000 0.241 272 D C -0.298 175.961 176.300 -0.069 0.000 1.361 272 D CA -0.350 53.604 54.000 -0.076 0.000 0.995 272 D CB 1.088 41.842 40.800 -0.076 0.000 1.312 272 D HN -0.271 nan 8.370 nan 0.000 0.576 273 D N 0.600 120.973 120.400 -0.044 0.000 2.265 273 D HA -0.147 4.493 4.640 -0.000 0.000 0.208 273 D C 1.904 178.190 176.300 -0.022 0.000 0.977 273 D CA 1.154 55.137 54.000 -0.028 0.000 0.871 273 D CB 0.320 41.106 40.800 -0.023 0.000 0.925 273 D HN 0.421 nan 8.370 nan 0.000 0.485 274 S N -0.710 114.976 115.700 -0.024 0.000 2.515 274 S HA -0.048 4.422 4.470 -0.000 0.000 0.231 274 S C 0.754 175.357 174.600 0.004 0.000 0.987 274 S CA 0.285 58.475 58.200 -0.017 0.000 0.936 274 S CB 0.052 63.242 63.200 -0.016 0.000 0.766 274 S HN -0.086 nan 8.310 nan 0.000 0.528 275 K N 2.692 123.101 120.400 0.014 0.000 2.268 275 K HA 0.447 4.767 4.320 -0.000 0.000 0.276 275 K C -0.607 176.115 176.600 0.204 0.000 1.080 275 K CA 0.121 56.458 56.287 0.083 0.000 0.910 275 K CB 1.078 33.600 32.500 0.035 0.000 1.163 275 K HN 0.536 nan 8.250 nan 0.000 0.465 276 E N 2.104 122.429 120.200 0.208 0.000 2.212 276 E HA 0.499 4.849 4.350 -0.000 0.000 0.270 276 E C -0.771 175.999 176.600 0.282 0.000 0.956 276 E CA -0.939 55.622 56.400 0.268 0.000 0.825 276 E CB 2.140 31.909 29.700 0.115 0.000 1.167 276 E HN 0.246 nan 8.360 nan 0.000 0.400 277 L N 2.543 123.924 121.223 0.263 0.000 2.415 277 L HA 0.327 4.667 4.340 -0.000 0.000 0.268 277 L C -1.271 175.709 176.870 0.184 0.000 0.984 277 L CA -0.874 53.994 54.840 0.046 0.000 0.853 277 L CB 1.373 43.169 42.059 -0.439 0.000 1.215 277 L HN 0.345 nan 8.230 nan 0.000 0.419 278 V N 4.966 124.956 119.914 0.126 0.000 2.715 278 V HA 0.212 4.332 4.120 -0.000 0.000 0.299 278 V C -0.388 175.736 176.094 0.050 0.000 1.054 278 V CA 0.177 62.433 62.300 -0.074 0.000 1.077 278 V CB 0.631 32.375 31.823 -0.130 0.000 0.972 278 V HN 0.708 nan 8.190 nan 0.000 0.484 279 Y N 1.259 121.488 120.300 -0.119 0.000 2.625 279 Y HA 0.836 5.386 4.550 -0.000 0.000 0.338 279 Y C -0.258 175.622 175.900 -0.034 0.000 1.123 279 Y CA -1.034 57.023 58.100 -0.072 0.000 1.046 279 Y CB 1.671 40.088 38.460 -0.072 0.000 1.299 279 Y HN 0.608 nan 8.280 nan 0.000 0.464 280 T N 0.467 115.033 114.554 0.020 0.000 2.930 280 T HA 0.788 5.138 4.350 -0.000 0.000 0.290 280 T C -1.064 173.587 174.700 -0.082 0.000 1.052 280 T CA -0.940 61.131 62.100 -0.048 0.000 1.017 280 T CB 1.838 70.692 68.868 -0.024 0.000 1.137 280 T HN 0.783 nan 8.240 nan 0.000 0.511 281 L N 1.753 122.882 121.223 -0.157 0.000 2.362 281 L HA 0.754 5.094 4.340 -0.000 0.000 0.271 281 L C -0.186 176.575 176.870 -0.181 0.000 1.002 281 L CA -0.960 53.730 54.840 -0.250 0.000 0.818 281 L CB 2.323 44.069 42.059 -0.522 0.000 1.298 281 L HN 1.046 nan 8.230 nan 0.000 0.420 282 S N 2.435 118.028 115.700 -0.179 0.000 2.541 282 S HA 0.795 5.265 4.470 -0.000 0.000 0.280 282 S C -1.198 173.313 174.600 -0.148 0.000 1.112 282 S CA -0.775 57.346 58.200 -0.132 0.000 0.925 282 S CB 2.525 65.680 63.200 -0.074 0.000 1.067 282 S HN 0.454 nan 8.310 nan 0.000 0.479 283 L N 2.275 123.429 121.223 -0.115 0.000 2.406 283 L HA 0.699 5.039 4.340 -0.000 0.000 0.272 283 L C -1.618 175.246 176.870 -0.010 0.000 0.980 283 L CA -0.852 53.945 54.840 -0.071 0.000 0.831 283 L CB 1.792 43.798 42.059 -0.087 0.000 1.253 283 L HN 0.829 nan 8.230 nan 0.000 0.406 284 L N 6.066 127.300 121.223 0.018 0.000 2.270 284 L HA 0.509 4.849 4.340 -0.000 0.000 0.286 284 L C -1.252 175.659 176.870 0.068 0.000 1.059 284 L CA -0.163 54.696 54.840 0.032 0.000 0.839 284 L CB 0.888 42.965 42.059 0.028 0.000 1.221 284 L HN 0.700 nan 8.230 nan 0.000 0.431 285 L N 6.546 127.806 121.223 0.062 0.000 2.264 285 L HA 0.635 4.975 4.340 -0.000 0.000 0.287 285 L C 0.912 177.829 176.870 0.079 0.000 1.039 285 L CA 0.275 55.168 54.840 0.088 0.000 0.829 285 L CB 0.565 42.640 42.059 0.026 0.000 1.211 285 L HN 0.866 nan 8.230 nan 0.000 0.427 286 A N 4.090 126.985 122.820 0.125 0.000 2.511 286 A HA 0.070 4.390 4.320 -0.000 0.000 0.297 286 A C 1.544 179.176 177.584 0.079 0.000 1.476 286 A CA 1.362 53.477 52.037 0.129 0.000 0.757 286 A CB -2.053 17.075 19.000 0.213 0.000 1.072 286 A HN 2.395 nan 8.150 nan 0.000 0.413 287 G N -1.757 107.077 108.800 0.057 0.000 2.195 287 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.246 287 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.246 287 G C 0.136 175.049 174.900 0.023 0.000 0.984 287 G CA 0.975 46.097 45.100 0.037 0.000 0.633 287 G HN 1.298 nan 8.290 nan 0.000 0.525 288 K N 0.925 121.337 120.400 0.019 0.000 2.265 288 K HA 0.366 4.686 4.320 -0.000 0.000 0.267 288 K C -0.605 175.996 176.600 0.003 0.000 0.994 288 K CA -0.770 55.520 56.287 0.004 0.000 0.860 288 K CB 0.333 32.826 32.500 -0.012 0.000 1.099 288 K HN 0.103 nan 8.250 nan 0.000 0.448 289 N N 4.672 123.371 118.700 -0.001 0.000 2.430 289 N HA 0.248 4.988 4.740 -0.000 0.000 0.265 289 N C -0.731 174.772 175.510 -0.011 0.000 1.100 289 N CA 0.031 53.078 53.050 -0.005 0.000 0.961 289 N CB 0.743 39.226 38.487 -0.006 0.000 1.075 289 N HN 0.416 nan 8.380 nan 0.000 0.478 290 L N 0.938 122.151 121.223 -0.017 0.000 2.333 290 L HA 0.480 4.820 4.340 -0.000 0.000 0.263 290 L C 0.177 177.025 176.870 -0.037 0.000 1.014 290 L CA -0.691 54.137 54.840 -0.020 0.000 0.820 290 L CB 2.204 44.256 42.059 -0.010 0.000 1.352 290 L HN 0.250 nan 8.230 nan 0.000 0.421 291 T N 1.659 116.197 114.554 -0.028 0.000 3.060 291 T HA 0.374 4.724 4.350 -0.000 0.000 0.367 291 T C -2.525 172.168 174.700 -0.012 0.000 1.229 291 T CA -1.046 61.033 62.100 -0.035 0.000 1.104 291 T CB 0.848 69.704 68.868 -0.019 0.000 1.083 291 T HN 0.207 nan 8.240 nan 0.000 0.524 292 P HA 0.308 nan 4.420 nan 0.000 0.276 292 P C 0.046 177.445 177.300 0.165 0.000 1.235 292 P CA -0.357 62.773 63.100 0.049 0.000 0.772 292 P CB 0.526 32.151 31.700 -0.125 0.000 0.871 293 T N -0.480 114.181 114.554 0.178 0.000 2.952 293 T HA 0.318 4.668 4.350 -0.000 0.000 0.286 293 T C 0.274 175.006 174.700 0.054 0.000 1.024 293 T CA -1.013 61.163 62.100 0.127 0.000 1.029 293 T CB 0.609 69.476 68.868 -0.002 0.000 1.094 293 T HN 0.144 nan 8.240 nan 0.000 0.515 294 N N 0.651 119.056 118.700 -0.493 0.000 2.417 294 N HA 0.213 4.953 4.740 -0.000 0.000 0.272 294 N C 1.512 176.917 175.510 -0.175 0.000 1.304 294 N CA 1.588 54.243 53.050 -0.660 0.000 0.906 294 N CB -0.383 37.437 38.487 -1.112 0.000 1.135 294 N HN 1.214 nan 8.380 nan 0.000 0.483 295 G N 2.398 111.208 108.800 0.017 0.000 2.162 295 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 295 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 295 G C 0.090 175.016 174.900 0.044 0.000 0.976 295 G CA 0.497 45.619 45.100 0.036 0.000 0.655 295 G HN 0.720 nan 8.290 nan 0.000 0.533 296 Q N 0.882 120.722 119.800 0.066 0.000 2.360 296 Q HA 0.732 5.072 4.340 -0.000 0.000 0.254 296 Q C 0.402 176.455 176.000 0.087 0.000 0.975 296 Q CA 0.420 56.258 55.803 0.058 0.000 0.912 296 Q CB 0.850 29.614 28.738 0.043 0.000 1.212 296 Q HN 1.052 nan 8.270 nan 0.000 0.452 297 A N 4.960 127.813 122.820 0.055 0.000 2.440 297 A HA 0.453 4.773 4.320 -0.000 0.000 0.251 297 A C -0.751 176.858 177.584 0.041 0.000 1.089 297 A CA -0.289 51.777 52.037 0.048 0.000 0.779 297 A CB 0.198 19.210 19.000 0.021 0.000 1.022 297 A HN 0.817 nan 8.150 nan 0.000 0.492 298 L N 3.009 124.258 121.223 0.042 0.000 2.307 298 L HA 0.360 4.700 4.340 -0.000 0.000 0.284 298 L C -0.168 176.688 176.870 -0.024 0.000 1.023 298 L CA -0.538 54.312 54.840 0.017 0.000 0.810 298 L CB 1.319 43.400 42.059 0.037 0.000 1.231 298 L HN 0.650 nan 8.230 nan 0.000 0.423 299 N N 4.629 123.307 118.700 -0.035 0.000 2.518 299 N HA 0.496 5.236 4.740 -0.000 0.000 0.254 299 N C -1.059 174.405 175.510 -0.076 0.000 0.979 299 N CA -0.307 52.709 53.050 -0.056 0.000 0.930 299 N CB 2.082 40.544 38.487 -0.042 0.000 1.152 299 N HN 0.376 nan 8.380 nan 0.000 0.505 300 I N 1.290 121.790 120.570 -0.117 0.000 2.406 300 I HA 0.194 4.364 4.170 -0.000 0.000 0.290 300 I C 0.695 176.714 176.117 -0.163 0.000 0.999 300 I CA -0.664 60.552 61.300 -0.141 0.000 1.124 300 I CB 1.486 39.377 38.000 -0.182 0.000 1.289 300 I HN 0.260 nan 8.210 nan 0.000 0.441 301 N N 3.419 122.048 118.700 -0.118 0.000 2.483 301 N HA 0.024 4.764 4.740 -0.000 0.000 0.264 301 N C 0.691 176.120 175.510 -0.135 0.000 1.197 301 N CA 0.351 53.340 53.050 -0.103 0.000 0.927 301 N CB 1.132 39.583 38.487 -0.060 0.000 1.065 301 N HN 0.641 nan 8.380 nan 0.000 0.461 302 T N 2.676 117.148 114.554 -0.135 0.000 2.985 302 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 302 T C 1.771 176.483 174.700 0.021 0.000 1.076 302 T CA 0.938 62.956 62.100 -0.137 0.000 1.135 302 T CB -0.019 68.791 68.868 -0.097 0.000 0.890 302 T HN 0.700 nan 8.240 nan 0.000 0.480 303 A N 0.771 123.604 122.820 0.022 0.000 1.948 303 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 303 A C 2.460 180.067 177.584 0.039 0.000 1.177 303 A CA 2.044 54.105 52.037 0.040 0.000 0.636 303 A CB -0.671 18.341 19.000 0.020 0.000 0.815 303 A HN 0.441 nan 8.150 nan 0.000 0.449 304 S N -0.978 114.734 115.700 0.019 0.000 2.558 304 S HA 0.285 4.755 4.470 -0.000 0.000 0.217 304 S C 0.513 175.135 174.600 0.038 0.000 0.975 304 S CA -0.251 57.961 58.200 0.019 0.000 0.912 304 S CB -0.267 62.933 63.200 0.000 0.000 0.776 304 S HN 0.430 nan 8.310 nan 0.000 0.526 305 L N 2.350 123.611 121.223 0.063 0.000 2.371 305 L HA 0.293 4.633 4.340 -0.000 0.000 0.272 305 L C 0.501 177.478 176.870 0.179 0.000 1.124 305 L CA -0.317 54.593 54.840 0.115 0.000 0.816 305 L CB 0.524 42.639 42.059 0.093 0.000 1.129 305 L HN 0.155 nan 8.230 nan 0.000 0.448 306 E N 1.054 121.339 120.200 0.141 0.000 2.392 306 E HA 0.279 4.629 4.350 -0.000 0.000 0.256 306 E C -0.267 176.396 176.600 0.105 0.000 1.145 306 E CA -0.223 56.232 56.400 0.091 0.000 0.929 306 E CB 1.054 30.788 29.700 0.057 0.000 0.998 306 E HN 0.659 nan 8.360 nan 0.000 0.442 307 T N -0.527 114.002 114.554 -0.042 0.000 2.906 307 T HA 0.555 4.905 4.350 -0.000 0.000 0.295 307 T C -0.503 174.063 174.700 -0.223 0.000 1.075 307 T CA -1.112 60.879 62.100 -0.183 0.000 1.005 307 T CB 1.437 70.076 68.868 -0.382 0.000 1.136 307 T HN 0.225 nan 8.240 nan 0.000 0.498 308 N N -0.618 117.932 118.700 -0.251 0.000 2.380 308 N HA 0.530 5.270 4.740 -0.000 0.000 0.290 308 N C -1.700 173.622 175.510 -0.312 0.000 1.236 308 N CA -0.848 52.076 53.050 -0.210 0.000 0.780 308 N CB 1.252 39.712 38.487 -0.045 0.000 1.438 308 N HN 0.749 nan 8.380 nan 0.000 0.491 309 W N 0.683 121.918 121.300 -0.109 0.000 2.338 309 W HA 0.469 5.129 4.660 -0.000 0.000 0.307 309 W C 0.038 176.470 176.519 -0.145 0.000 1.167 309 W CA -0.374 56.879 57.345 -0.153 0.000 1.208 309 W CB 0.677 30.061 29.460 -0.127 0.000 1.228 309 W HN 0.142 nan 8.180 nan 0.000 0.499 310 N N 1.581 120.286 118.700 0.009 0.000 2.242 310 N HA 0.229 4.969 4.740 -0.000 0.000 0.292 310 N C -0.671 174.703 175.510 -0.227 0.000 1.125 310 N CA -1.123 51.878 53.050 -0.083 0.000 0.783 310 N CB 1.807 40.214 38.487 -0.133 0.000 1.558 310 N HN 0.241 nan 8.380 nan 0.000 0.472 311 R N 1.789 122.176 120.500 -0.189 0.000 4.556 311 R HA 0.341 4.681 4.340 -0.000 0.000 0.197 311 R C -0.366 175.590 176.300 -0.575 0.000 1.791 311 R CA -0.125 55.826 56.100 -0.247 0.000 1.526 311 R CB -1.391 28.857 30.300 -0.087 0.000 1.410 311 R HN 0.522 nan 8.270 nan 0.000 0.826 312 I N 2.104 122.109 120.570 -0.940 0.000 2.533 312 I HA 0.015 4.185 4.170 -0.000 0.000 0.284 312 I C 0.935 176.523 176.117 -0.882 0.000 1.109 312 I CA 0.145 60.496 61.300 -1.582 0.000 1.412 312 I CB 0.772 37.941 38.000 -1.385 0.000 1.396 312 I HN 0.441 nan 8.210 nan 0.000 0.543 313 T N 3.160 117.269 114.554 -0.742 0.000 2.912 313 T HA 0.664 5.014 4.350 -0.000 0.000 0.280 313 T C 0.188 174.839 174.700 -0.081 0.000 0.989 313 T CA -0.991 60.978 62.100 -0.219 0.000 0.995 313 T CB 1.575 70.443 68.868 -0.001 0.000 1.077 313 T HN 0.641 nan 8.240 nan 0.000 0.531 314 A N 1.088 123.915 122.820 0.011 0.000 2.425 314 A HA 0.440 4.760 4.320 -0.000 0.000 0.242 314 A C 1.498 179.149 177.584 0.113 0.000 1.077 314 A CA -0.598 51.482 52.037 0.073 0.000 0.781 314 A CB -0.162 18.880 19.000 0.071 0.000 1.020 314 A HN 0.833 nan 8.150 nan 0.000 0.494 315 V N 1.585 121.578 119.914 0.132 0.000 2.283 315 V HA -0.142 3.978 4.120 -0.000 0.000 0.243 315 V C 2.185 178.339 176.094 0.101 0.000 1.039 315 V CA 2.758 65.138 62.300 0.134 0.000 1.016 315 V CB -1.152 30.751 31.823 0.134 0.000 0.650 315 V HN 1.143 nan 8.190 nan 0.000 0.449 316 T N -4.343 110.262 114.554 0.085 0.000 3.426 316 T HA 0.432 4.782 4.350 -0.000 0.000 0.195 316 T C 0.196 174.933 174.700 0.061 0.000 0.963 316 T CA -0.190 61.950 62.100 0.067 0.000 1.154 316 T CB 0.795 69.696 68.868 0.056 0.000 1.377 316 T HN 0.135 nan 8.240 nan 0.000 0.342 317 M N 1.840 121.475 119.600 0.057 0.000 2.575 317 M HA 0.573 5.053 4.480 -0.000 0.000 0.284 317 M C -2.792 173.541 176.300 0.055 0.000 1.253 317 M CA -2.127 53.204 55.300 0.052 0.000 0.861 317 M CB 3.109 35.733 32.600 0.040 0.000 1.733 317 M HN 0.243 nan 8.290 nan 0.000 0.462 318 P HA 0.205 nan 4.420 nan 0.000 0.281 318 P C -1.361 175.979 177.300 0.066 0.000 1.264 318 P CA -0.405 62.727 63.100 0.054 0.000 0.824 318 P CB 0.652 32.382 31.700 0.050 0.000 1.092 319 E N 0.704 120.938 120.200 0.056 0.000 2.413 319 E HA 0.124 4.474 4.350 -0.000 0.000 0.263 319 E C -0.595 176.049 176.600 0.073 0.000 1.015 319 E CA -0.204 56.228 56.400 0.054 0.000 0.916 319 E CB 0.132 29.857 29.700 0.041 0.000 0.947 319 E HN 0.314 nan 8.360 nan 0.000 0.440 320 I N 4.507 125.112 120.570 0.059 0.000 2.330 320 I HA 0.032 4.202 4.170 -0.000 0.000 0.286 320 I C 0.769 176.909 176.117 0.038 0.000 1.025 320 I CA -0.279 61.065 61.300 0.073 0.000 1.197 320 I CB 1.319 39.322 38.000 0.004 0.000 1.358 320 I HN 0.524 nan 8.210 nan 0.000 0.467 321 S N 4.028 119.774 115.700 0.077 0.000 2.548 321 S HA 0.234 4.704 4.470 -0.000 0.000 0.215 321 S C 0.392 175.018 174.600 0.044 0.000 0.976 321 S CA -0.256 57.974 58.200 0.050 0.000 0.908 321 S CB 0.341 63.575 63.200 0.056 0.000 0.781 321 S HN 0.364 nan 8.310 nan 0.000 0.519 322 V N 2.164 122.118 119.914 0.067 0.000 3.049 322 V HA 0.483 4.603 4.120 -0.000 0.000 0.309 322 V C -2.741 173.330 176.094 -0.039 0.000 1.148 322 V CA -2.288 60.038 62.300 0.044 0.000 0.990 322 V CB 2.269 34.190 31.823 0.163 0.000 1.039 322 V HN 0.021 nan 8.190 nan 0.000 0.430 323 P HA 0.155 nan 4.420 nan 0.000 0.265 323 P C -0.934 176.300 177.300 -0.110 0.000 1.187 323 P CA 0.411 63.444 63.100 -0.111 0.000 0.766 323 P CB 0.346 31.987 31.700 -0.099 0.000 0.820 324 V N 0.632 120.428 119.914 -0.196 0.000 3.113 324 V HA 0.545 4.665 4.120 -0.000 0.000 0.316 324 V C -0.472 175.455 176.094 -0.280 0.000 1.125 324 V CA -1.183 60.919 62.300 -0.329 0.000 1.026 324 V CB 1.614 33.134 31.823 -0.505 0.000 1.080 324 V HN 0.115 nan 8.190 nan 0.000 0.444 325 L N 2.200 123.188 121.223 -0.392 0.000 2.375 325 L HA 0.855 5.195 4.340 -0.000 0.000 0.271 325 L C 0.127 176.780 176.870 -0.361 0.000 1.107 325 L CA 0.284 54.811 54.840 -0.523 0.000 0.806 325 L CB 0.799 42.480 42.059 -0.630 0.000 1.146 325 L HN 1.291 nan 8.230 nan 0.000 0.447 326 c N -0.037 118.313 118.600 -0.417 0.000 3.306 326 c HA 0.504 5.074 4.570 -0.000 0.000 0.335 326 c C -1.460 172.429 174.090 -0.335 0.000 1.382 326 c CA -1.470 54.654 56.329 -0.342 0.000 1.254 326 c CB 1.187 43.662 42.510 -0.058 0.000 1.555 326 c HN 0.718 nan 8.230 nan 0.000 0.463 327 W N 1.878 123.247 121.300 0.115 0.000 2.308 327 W HA 0.443 5.103 4.660 0.000 0.000 0.311 327 W C -2.563 174.059 176.519 0.172 0.000 1.088 327 W CA -2.080 55.331 57.345 0.111 0.000 1.309 327 W CB 0.825 30.349 29.460 0.106 0.000 1.229 327 W HN 0.482 nan 8.180 nan 0.000 0.427 328 P HA 0.281 nan 4.420 nan 0.000 0.276 328 P C 0.177 177.631 177.300 0.257 0.000 1.230 328 P CA 0.098 63.326 63.100 0.214 0.000 0.776 328 P CB 1.272 33.049 31.700 0.129 0.000 0.888 329 G N 1.970 110.911 108.800 0.236 0.000 2.617 329 G HA2 0.599 4.559 3.960 -0.000 0.000 0.306 329 G HA3 0.599 4.559 3.960 -0.000 0.000 0.306 329 G C -1.422 173.566 174.900 0.147 0.000 1.360 329 G CA -0.728 44.527 45.100 0.260 0.000 0.983 329 G HN 0.429 nan 8.290 nan 0.000 0.496 330 R N 2.933 123.501 120.500 0.113 0.000 2.388 330 R HA 0.394 4.734 4.340 -0.000 0.000 0.314 330 R C -0.949 175.374 176.300 0.040 0.000 0.959 330 R CA -0.721 55.417 56.100 0.064 0.000 0.851 330 R CB 1.053 31.378 30.300 0.042 0.000 1.168 330 R HN 0.427 nan 8.270 nan 0.000 0.472 331 L N 4.588 125.828 121.223 0.029 0.000 2.260 331 L HA 0.284 4.624 4.340 -0.000 0.000 0.289 331 L C -0.520 176.318 176.870 -0.053 0.000 1.057 331 L CA -0.118 54.699 54.840 -0.039 0.000 0.811 331 L CB 1.485 43.531 42.059 -0.022 0.000 1.184 331 L HN 0.698 nan 8.230 nan 0.000 0.429 332 Q N 4.221 123.975 119.800 -0.077 0.000 2.290 332 Q HA 0.429 4.769 4.340 -0.000 0.000 0.259 332 Q C -1.475 174.481 176.000 -0.075 0.000 0.941 332 Q CA -0.814 54.953 55.803 -0.059 0.000 0.912 332 Q CB 1.593 30.304 28.738 -0.044 0.000 1.244 332 Q HN 0.549 nan 8.270 nan 0.000 0.441 333 L N 4.149 125.339 121.223 -0.055 0.000 2.282 333 L HA 0.441 4.781 4.340 -0.000 0.000 0.288 333 L C -0.509 176.354 176.870 -0.012 0.000 1.033 333 L CA -0.085 54.736 54.840 -0.032 0.000 0.807 333 L CB 1.432 43.444 42.059 -0.078 0.000 1.209 333 L HN 0.533 nan 8.230 nan 0.000 0.423 334 D N 2.797 123.215 120.400 0.029 0.000 2.619 334 D HA 0.740 5.380 4.640 -0.000 0.000 0.241 334 D C -0.930 175.405 176.300 0.059 0.000 1.087 334 D CA -0.373 53.641 54.000 0.023 0.000 0.851 334 D CB 2.654 43.457 40.800 0.006 0.000 1.474 334 D HN 0.525 nan 8.370 nan 0.000 0.478 335 A N 1.968 124.809 122.820 0.034 0.000 2.408 335 A HA 0.511 4.831 4.320 -0.000 0.000 0.295 335 A C -0.815 176.786 177.584 0.029 0.000 1.040 335 A CA -0.728 51.334 52.037 0.042 0.000 0.707 335 A CB 1.570 20.586 19.000 0.025 0.000 1.235 335 A HN 0.357 nan 8.150 nan 0.000 0.418 336 K N 2.817 123.235 120.400 0.029 0.000 2.616 336 K HA 0.600 4.920 4.320 -0.000 0.000 0.241 336 K C -1.950 174.672 176.600 0.038 0.000 0.961 336 K CA -0.229 56.078 56.287 0.033 0.000 0.942 336 K CB 1.607 34.120 32.500 0.021 0.000 1.153 336 K HN 0.487 nan 8.250 nan 0.000 0.452 337 V N 3.675 123.624 119.914 0.058 0.000 2.735 337 V HA 0.407 4.527 4.120 -0.000 0.000 0.310 337 V C -0.965 175.184 176.094 0.092 0.000 1.061 337 V CA -0.871 61.460 62.300 0.052 0.000 0.913 337 V CB 2.192 34.018 31.823 0.006 0.000 1.005 337 V HN 0.642 nan 8.190 nan 0.000 0.428 338 K N 3.842 124.286 120.400 0.073 0.000 2.307 338 K HA 0.428 4.748 4.320 -0.000 0.000 0.263 338 K C 0.125 176.775 176.600 0.082 0.000 0.973 338 K CA -0.386 55.955 56.287 0.091 0.000 0.846 338 K CB 0.558 33.096 32.500 0.063 0.000 1.100 338 K HN 0.708 nan 8.250 nan 0.000 0.438 339 N N 3.020 121.790 118.700 0.117 0.000 2.714 339 N HA -0.119 4.621 4.740 -0.000 0.000 0.253 339 N C -2.349 173.185 175.510 0.039 0.000 1.024 339 N CA 0.508 53.612 53.050 0.091 0.000 0.726 339 N CB -0.883 37.648 38.487 0.072 0.000 0.908 339 N HN 0.622 nan 8.380 nan 0.000 0.542 340 P HA 0.091 nan 4.420 nan 0.000 0.274 340 P C 0.050 177.334 177.300 -0.027 0.000 1.260 340 P CA 0.205 63.265 63.100 -0.067 0.000 0.793 340 P CB 0.700 32.248 31.700 -0.253 0.000 1.048 341 E N -0.207 120.035 120.200 0.070 0.000 2.191 341 E HA 0.541 4.891 4.350 -0.000 0.000 0.274 341 E C -0.626 176.017 176.600 0.072 0.000 0.948 341 E CA -1.060 55.380 56.400 0.067 0.000 0.802 341 E CB 1.189 30.937 29.700 0.080 0.000 1.137 341 E HN 0.538 nan 8.360 nan 0.000 0.397 342 A N 3.007 125.841 122.820 0.023 0.000 2.555 342 A HA 0.501 4.821 4.320 -0.000 0.000 0.233 342 A C 0.871 178.467 177.584 0.021 0.000 1.060 342 A CA 0.871 52.920 52.037 0.020 0.000 0.759 342 A CB -0.730 18.281 19.000 0.019 0.000 0.995 342 A HN 1.293 nan 8.150 nan 0.000 0.506 343 G N 0.614 109.434 108.800 0.034 0.000 2.347 343 G HA2 0.294 4.254 3.960 -0.000 0.000 0.341 343 G HA3 0.294 4.254 3.960 -0.000 0.000 0.341 343 G C -1.311 173.600 174.900 0.017 0.000 1.287 343 G CA -0.802 44.283 45.100 -0.025 0.000 0.984 343 G HN 0.895 nan 8.290 nan 0.000 0.526 344 Q N -0.211 119.544 119.800 -0.074 0.000 2.256 344 Q HA 0.574 4.914 4.340 -0.000 0.000 0.254 344 Q C -1.206 174.727 176.000 -0.111 0.000 0.916 344 Q CA -0.085 55.709 55.803 -0.016 0.000 0.932 344 Q CB 1.722 30.439 28.738 -0.035 0.000 1.207 344 Q HN 0.483 nan 8.270 nan 0.000 0.426 345 Y N 1.081 121.367 120.300 -0.023 0.000 2.509 345 Y HA 0.628 5.178 4.550 -0.000 0.000 0.341 345 Y C 0.196 176.088 175.900 -0.013 0.000 1.038 345 Y CA -0.838 57.255 58.100 -0.011 0.000 1.089 345 Y CB 2.120 40.575 38.460 -0.008 0.000 1.241 345 Y HN 0.551 nan 8.280 nan 0.000 0.468 346 M N 1.077 120.772 119.600 0.159 0.000 2.465 346 M HA 0.771 5.251 4.480 -0.000 0.000 0.284 346 M C -1.248 175.120 176.300 0.114 0.000 1.212 346 M CA -0.177 55.177 55.300 0.089 0.000 0.910 346 M CB 2.502 35.127 32.600 0.042 0.000 1.725 346 M HN 0.806 nan 8.290 nan 0.000 0.477 347 G N 1.700 110.556 108.800 0.093 0.000 2.600 347 G HA2 0.378 4.338 3.960 -0.000 0.000 0.293 347 G HA3 0.378 4.338 3.960 -0.000 0.000 0.293 347 G C -2.394 172.570 174.900 0.106 0.000 1.408 347 G CA -0.665 44.518 45.100 0.139 0.000 0.782 347 G HN 0.760 nan 8.290 nan 0.000 0.482 348 N N -0.540 118.246 118.700 0.145 0.000 2.225 348 N HA 0.540 5.280 4.740 -0.000 0.000 0.298 348 N C -1.387 174.227 175.510 0.174 0.000 1.076 348 N CA -0.526 52.594 53.050 0.116 0.000 0.792 348 N CB 2.286 40.825 38.487 0.087 0.000 1.498 348 N HN 0.343 nan 8.380 nan 0.000 0.474 349 I N 2.380 123.036 120.570 0.142 0.000 2.382 349 I HA 0.229 4.399 4.170 -0.000 0.000 0.286 349 I C 0.218 176.420 176.117 0.143 0.000 1.002 349 I CA -0.632 60.782 61.300 0.190 0.000 1.135 349 I CB 1.671 39.777 38.000 0.177 0.000 1.288 349 I HN 0.233 nan 8.210 nan 0.000 0.448 350 K N 7.968 128.460 120.400 0.152 0.000 2.264 350 K HA 0.507 4.827 4.320 -0.000 0.000 0.277 350 K C -0.758 175.875 176.600 0.054 0.000 1.067 350 K CA -0.471 55.871 56.287 0.091 0.000 0.900 350 K CB 0.769 33.318 32.500 0.083 0.000 1.124 350 K HN 0.570 nan 8.250 nan 0.000 0.469 351 I N 2.780 123.344 120.570 -0.010 0.000 2.365 351 I HA 0.142 4.312 4.170 -0.000 0.000 0.291 351 I C 0.463 176.543 176.117 -0.062 0.000 1.004 351 I CA -0.366 60.831 61.300 -0.172 0.000 1.311 351 I CB 1.806 39.702 38.000 -0.173 0.000 1.401 351 I HN 0.437 nan 8.210 nan 0.000 0.491 352 T N 6.620 121.126 114.554 -0.080 0.000 2.863 352 T HA 0.621 4.971 4.350 -0.000 0.000 0.285 352 T C -1.294 173.500 174.700 0.156 0.000 1.009 352 T CA -0.462 61.663 62.100 0.043 0.000 0.989 352 T CB 1.206 70.083 68.868 0.015 0.000 1.004 352 T HN 0.417 nan 8.240 nan 0.000 0.455 353 F N 2.089 122.056 119.950 0.029 0.000 2.604 353 F HA 0.561 5.088 4.527 -0.000 0.000 0.316 353 F C -1.109 174.721 175.800 0.049 0.000 1.136 353 F CA -0.453 57.585 58.000 0.064 0.000 0.989 353 F CB 1.803 40.953 39.000 0.250 0.000 1.258 353 F HN 0.443 nan 8.300 nan 0.000 0.451 354 T N 6.843 121.119 114.554 -0.463 0.000 2.890 354 T HA 0.388 4.738 4.350 -0.000 0.000 0.295 354 T C -2.900 171.415 174.700 -0.642 0.000 0.993 354 T CA -1.319 60.433 62.100 -0.580 0.000 0.979 354 T CB 1.812 70.532 68.868 -0.247 0.000 0.967 354 T HN 0.259 nan 8.240 nan 0.000 0.441 355 P HA 0.277 nan 4.420 nan 0.000 0.278 355 P C -0.199 176.999 177.300 -0.170 0.000 1.238 355 P CA -0.599 62.318 63.100 -0.306 0.000 0.794 355 P CB 0.504 32.119 31.700 -0.141 0.000 0.955 356 S N 1.022 116.675 115.700 -0.079 0.000 2.548 356 S HA 0.362 4.832 4.470 -0.000 0.000 0.277 356 S C 0.338 174.915 174.600 -0.037 0.000 1.315 356 S CA -0.330 57.835 58.200 -0.058 0.000 1.050 356 S CB 0.187 63.367 63.200 -0.032 0.000 0.918 356 S HN 0.437 nan 8.310 nan 0.000 0.497 357 S N 1.212 116.879 115.700 -0.055 0.000 2.747 357 S HA 0.465 4.935 4.470 -0.000 0.000 0.300 357 S C -0.895 173.687 174.600 -0.031 0.000 1.121 357 S CA -0.763 57.401 58.200 -0.061 0.000 0.995 357 S CB 1.377 64.524 63.200 -0.088 0.000 1.113 357 S HN 0.876 nan 8.310 nan 0.000 0.547 358 Q N 1.141 120.924 119.800 -0.029 0.000 2.464 358 Q HA 0.441 4.781 4.340 -0.000 0.000 0.256 358 Q C -1.267 174.727 176.000 -0.011 0.000 1.020 358 Q CA -0.318 55.482 55.803 -0.005 0.000 0.716 358 Q CB 0.968 29.722 28.738 0.027 0.000 1.230 358 Q HN 0.688 nan 8.270 nan 0.000 0.494 359 T N 4.641 119.187 114.554 -0.013 0.000 3.448 359 T HA 0.196 4.546 4.350 -0.000 0.000 0.271 359 T C 0.640 175.327 174.700 -0.022 0.000 1.002 359 T CA -0.175 61.916 62.100 -0.015 0.000 0.995 359 T CB -0.193 68.670 68.868 -0.007 0.000 1.153 359 T HN 0.551 nan 8.240 nan 0.000 0.510 360 L N -0.121 121.083 121.223 -0.031 0.000 2.504 360 L HA 0.682 5.022 4.340 -0.000 0.000 0.170 360 L C 0.401 177.246 176.870 -0.042 0.000 1.382 360 L CA -0.253 54.567 54.840 -0.033 0.000 3.039 360 L CB -0.281 41.756 42.059 -0.037 0.000 2.961 360 L HN 0.166 nan 8.230 nan 0.000 1.046 361 D N -3.421 116.946 120.400 -0.054 0.000 2.970 361 D HA 0.384 5.024 4.640 -0.000 0.000 0.344 361 D C -1.326 174.924 176.300 -0.084 0.000 1.365 361 D CA -0.756 53.204 54.000 -0.066 0.000 0.910 361 D CB 0.380 41.144 40.800 -0.060 0.000 1.445 361 D HN 0.266 nan 8.370 nan 0.000 0.532 362 N N -1.027 117.612 118.700 -0.101 0.000 2.457 362 N HA 0.369 5.109 4.740 -0.000 0.000 0.290 362 N C -1.051 174.398 175.510 -0.102 0.000 1.232 362 N CA -0.668 52.313 53.050 -0.115 0.000 0.852 362 N CB 2.062 40.456 38.487 -0.156 0.000 1.313 362 N HN 0.355 nan 8.380 nan 0.000 0.522 363 K N 0.673 121.018 120.400 -0.092 0.000 2.154 363 K HA 0.114 4.434 4.320 -0.000 0.000 0.264 363 K C -0.205 176.340 176.600 -0.092 0.000 1.008 363 K CA -0.344 55.901 56.287 -0.070 0.000 0.937 363 K CB 0.982 33.456 32.500 -0.043 0.000 1.002 363 K HN 0.424 nan 8.250 nan 0.000 0.469 364 Q N 2.298 122.058 119.800 -0.067 0.000 2.293 364 Q HA 0.299 4.639 4.340 -0.000 0.000 0.251 364 Q C -0.796 175.196 176.000 -0.014 0.000 0.930 364 Q CA -0.761 55.004 55.803 -0.064 0.000 0.893 364 Q CB 1.196 29.912 28.738 -0.035 0.000 1.215 364 Q HN 0.459 nan 8.270 nan 0.000 0.425 365 V N 0.220 120.149 119.914 0.026 0.000 3.113 365 V HA 0.789 4.909 4.120 -0.000 0.000 0.316 365 V C -1.022 175.153 176.094 0.135 0.000 1.125 365 V CA -0.744 61.614 62.300 0.096 0.000 1.026 365 V CB 1.782 33.696 31.823 0.153 0.000 1.080 365 V HN 1.019 nan 8.190 nan 0.000 0.444 366 E N 0.858 121.129 120.200 0.119 0.000 2.433 366 E HA 0.804 5.154 4.350 -0.000 0.000 0.278 366 E C -1.673 174.975 176.600 0.079 0.000 0.976 366 E CA -1.252 55.206 56.400 0.096 0.000 0.793 366 E CB 2.685 32.422 29.700 0.062 0.000 1.311 366 E HN 0.553 nan 8.360 nan 0.000 0.460 367 K N 0.551 120.981 120.400 0.049 0.000 2.498 367 K HA 0.434 4.754 4.320 -0.000 0.000 0.254 367 K C -1.675 174.930 176.600 0.010 0.000 0.933 367 K CA -0.628 55.672 56.287 0.022 0.000 0.806 367 K CB 1.846 34.347 32.500 0.001 0.000 1.301 367 K HN 0.549 nan 8.250 nan 0.000 0.432 368 N N 3.683 122.380 118.700 -0.005 0.000 2.372 368 N HA 0.438 5.178 4.740 -0.000 0.000 0.291 368 N C -0.820 174.660 175.510 -0.050 0.000 1.024 368 N CA -0.480 52.566 53.050 -0.006 0.000 0.873 368 N CB 1.349 39.837 38.487 0.002 0.000 1.206 368 N HN 0.388 nan 8.380 nan 0.000 0.486 369 I N 1.888 122.436 120.570 -0.038 0.000 2.362 369 I HA 0.178 4.348 4.170 -0.000 0.000 0.289 369 I C 0.466 176.536 176.117 -0.079 0.000 0.994 369 I CA -0.360 60.879 61.300 -0.102 0.000 1.158 369 I CB 1.233 39.188 38.000 -0.076 0.000 1.315 369 I HN 0.180 nan 8.210 nan 0.000 0.451 370 T N 6.099 120.579 114.554 -0.124 0.000 2.761 370 T HA 0.340 4.690 4.350 -0.000 0.000 0.296 370 T C 0.259 174.898 174.700 -0.101 0.000 0.934 370 T CA -0.204 61.846 62.100 -0.084 0.000 1.091 370 T CB 0.914 69.731 68.868 -0.085 0.000 0.896 370 T HN 0.269 nan 8.240 nan 0.000 0.515 371 V N 5.061 124.930 119.914 -0.075 0.000 2.398 371 V HA 0.609 4.729 4.120 -0.000 0.000 0.286 371 V C 0.623 176.657 176.094 -0.100 0.000 1.026 371 V CA -0.873 61.347 62.300 -0.132 0.000 0.868 371 V CB 1.466 33.154 31.823 -0.225 0.000 0.982 371 V HN 1.074 nan 8.190 nan 0.000 0.443 372 T N 1.504 115.999 114.554 -0.097 0.000 2.930 372 T HA 0.953 5.303 4.350 -0.000 0.000 0.290 372 T C -0.477 174.189 174.700 -0.056 0.000 1.052 372 T CA -0.612 61.462 62.100 -0.042 0.000 1.017 372 T CB 2.316 71.174 68.868 -0.016 0.000 1.137 372 T HN 1.256 nan 8.240 nan 0.000 0.511 373 A N 0.572 123.397 122.820 0.009 0.000 2.574 373 A HA 0.739 5.059 4.320 -0.000 0.000 0.297 373 A C -0.681 176.950 177.584 0.080 0.000 1.062 373 A CA -0.835 51.199 52.037 -0.004 0.000 0.686 373 A CB 1.706 20.649 19.000 -0.094 0.000 1.285 373 A HN 0.774 nan 8.150 nan 0.000 0.403 374 S N 0.447 116.177 115.700 0.051 0.000 2.596 374 S HA 0.545 5.015 4.470 -0.000 0.000 0.318 374 S C -0.807 173.821 174.600 0.047 0.000 1.097 374 S CA -0.352 57.894 58.200 0.077 0.000 1.080 374 S CB 1.285 64.519 63.200 0.058 0.000 0.991 374 S HN 0.739 nan 8.310 nan 0.000 0.471 375 V N 4.314 124.254 119.914 0.043 0.000 2.333 375 V HA 0.290 4.410 4.120 -0.000 0.000 0.274 375 V C -0.241 175.856 176.094 0.005 0.000 1.028 375 V CA -0.780 61.454 62.300 -0.109 0.000 0.851 375 V CB 1.311 33.001 31.823 -0.223 0.000 1.000 375 V HN 0.706 nan 8.190 nan 0.000 0.456 376 D N 5.974 126.430 120.400 0.094 0.000 2.312 376 D HA 0.456 5.096 4.640 -0.000 0.000 0.252 376 D C -0.401 175.966 176.300 0.112 0.000 1.150 376 D CA -0.182 53.883 54.000 0.110 0.000 0.870 376 D CB 1.748 42.625 40.800 0.128 0.000 1.153 376 D HN 0.544 nan 8.370 nan 0.000 0.457 377 P HA 0.000 nan 4.420 nan 0.000 0.216 377 P CA 0.000 63.136 63.100 0.060 0.000 0.800 377 P CB 0.000 31.722 31.700 0.037 0.000 0.726