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 3dc1_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNYARFITAA SAARNPSPIR XXXXXXXXGP KSMISLAGGL PNPNMFPFKT DATA SEQUENCE AVITVENGKT IQFGEEMMKR ALQYSPSAGI PELLSWLKQL QIKLHNPPTI DATA SEQUENCE HYPPSQGQMD LCVTSGSQQG LCKVFEMIIN PGDNVLLDEP AYSGTLQSLH DATA SEQUENCE PLGCNIINVA SDESGIVPDS LRDILSRWKP EDAKNPQKNT PKFLYTVPNG DATA SEQUENCE NNPTGNSLTS ERKKEIYELA RKYDFLIIED DPYYFLQFNK FRVPTFLSMD DATA SEQUENCE VDGRVIRADS FSXIISSGLR IGFLTGPKPL IERVILHIQV STLHPSTFNQ DATA SEQUENCE LMISQLLHEW GEEGFMAHVD RVIDFYSNQK DAILAAADKW LTGLAEWHVP DATA SEQUENCE AAGMFLWIKV KGINDVKELI EEKAVKMGVL MLPGNAFYVD SSAPSPYLRA DATA SEQUENCE SFSSASPEQM DVAFQVLAQL IKESL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.132 176.300 -0.281 0.000 1.140 1 M CA 0.000 55.181 55.300 -0.197 0.000 0.988 1 M CB 0.000 32.440 32.600 -0.267 0.000 1.302 2 N N 3.347 121.933 118.700 -0.190 0.000 2.419 2 N HA 0.358 5.235 4.740 0.228 0.000 0.277 2 N C -0.568 174.924 175.510 -0.031 0.000 1.006 2 N CA -0.207 52.790 53.050 -0.088 0.000 0.923 2 N CB 0.922 39.379 38.487 -0.051 0.000 1.140 2 N HN 0.784 nan 8.380 nan 0.000 0.488 3 Y N 2.489 122.897 120.300 0.180 0.000 2.524 3 Y HA 0.215 4.901 4.550 0.227 0.000 0.270 3 Y C 2.275 178.307 175.900 0.220 0.000 1.094 3 Y CA 0.339 58.617 58.100 0.297 0.000 1.276 3 Y CB 0.319 38.894 38.460 0.191 0.000 1.130 3 Y HN 0.781 nan 8.280 nan 0.000 0.536 4 A N 1.261 124.225 122.820 0.239 0.000 1.958 4 A HA -0.315 4.142 4.320 0.228 0.000 0.221 4 A C 2.070 179.667 177.584 0.022 0.000 1.178 4 A CA 2.277 54.383 52.037 0.115 0.000 0.642 4 A CB -0.619 18.416 19.000 0.059 0.000 0.816 4 A HN 0.519 nan 8.150 nan 0.000 0.453 5 R N -1.568 118.851 120.500 -0.135 0.000 2.241 5 R HA -0.055 4.422 4.340 0.228 0.000 0.224 5 R C 0.458 176.527 176.300 -0.385 0.000 1.101 5 R CA 1.352 57.236 56.100 -0.362 0.000 0.995 5 R CB -0.431 29.485 30.300 -0.640 0.000 0.870 5 R HN 0.579 nan 8.270 nan 0.000 0.463 6 F N 0.664 120.679 119.950 0.108 0.000 2.684 6 F HA 0.381 5.047 4.527 0.230 0.000 0.298 6 F C 0.201 176.077 175.800 0.126 0.000 1.120 6 F CA -0.379 57.704 58.000 0.138 0.000 1.332 6 F CB 0.560 39.672 39.000 0.188 0.000 0.986 6 F HN -0.154 nan 8.300 nan 0.000 0.524 7 I N 0.164 120.860 120.570 0.210 0.000 2.517 7 I HA 0.133 4.440 4.170 0.228 0.000 0.280 7 I C 0.075 176.243 176.117 0.085 0.000 1.061 7 I CA -0.454 60.934 61.300 0.147 0.000 1.091 7 I CB 1.339 39.419 38.000 0.133 0.000 1.205 7 I HN -0.140 nan 8.210 nan 0.000 0.459 8 T N 3.785 118.386 114.554 0.077 0.000 2.923 8 T HA -0.062 4.425 4.350 0.228 0.000 0.320 8 T C 1.548 176.263 174.700 0.024 0.000 1.074 8 T CA 0.863 62.989 62.100 0.044 0.000 1.131 8 T CB 1.073 69.964 68.868 0.039 0.000 1.058 8 T HN 0.775 nan 8.240 nan 0.000 0.535 9 A N 3.380 126.207 122.820 0.012 0.000 1.881 9 A HA -0.179 4.278 4.320 0.228 0.000 0.219 9 A C 2.637 180.219 177.584 -0.003 0.000 1.215 9 A CA 2.583 54.622 52.037 0.004 0.000 0.648 9 A CB -1.442 17.558 19.000 -0.001 0.000 0.832 9 A HN 1.056 nan 8.150 nan 0.000 0.455 10 A N -1.247 121.566 122.820 -0.011 0.000 1.873 10 A HA -0.205 4.252 4.320 0.228 0.000 0.218 10 A C 2.529 180.089 177.584 -0.040 0.000 1.193 10 A CA 2.709 54.728 52.037 -0.030 0.000 0.629 10 A CB -1.239 17.735 19.000 -0.044 0.000 0.826 10 A HN 0.679 nan 8.150 nan 0.000 0.447 11 S N -0.686 114.995 115.700 -0.031 0.000 2.370 11 S HA -0.063 4.544 4.470 0.228 0.000 0.226 11 S C 2.167 176.763 174.600 -0.007 0.000 1.033 11 S CA 1.579 59.763 58.200 -0.028 0.000 1.011 11 S CB -0.528 62.675 63.200 0.005 0.000 0.852 11 S HN 0.909 nan 8.310 nan 0.000 0.457 12 A N 0.698 123.523 122.820 0.008 0.000 2.024 12 A HA 0.144 4.601 4.320 0.228 0.000 0.220 12 A C 2.131 179.717 177.584 0.004 0.000 1.164 12 A CA 1.770 53.815 52.037 0.013 0.000 0.643 12 A CB -0.861 18.152 19.000 0.021 0.000 0.806 12 A HN 0.730 nan 8.150 nan 0.000 0.451 13 A N -0.859 121.958 122.820 -0.005 0.000 2.275 13 A HA 0.232 4.689 4.320 0.228 0.000 0.212 13 A C 1.044 178.621 177.584 -0.011 0.000 1.201 13 A CA -0.421 51.612 52.037 -0.007 0.000 0.843 13 A CB -0.076 18.918 19.000 -0.010 0.000 0.873 13 A HN 0.477 nan 8.150 nan 0.000 0.492 14 R N 1.540 122.031 120.500 -0.014 0.000 2.442 14 R HA 0.234 4.710 4.340 0.228 0.000 0.291 14 R C -0.764 175.535 176.300 -0.003 0.000 1.069 14 R CA -0.062 56.030 56.100 -0.013 0.000 1.022 14 R CB 0.310 30.600 30.300 -0.017 0.000 0.976 14 R HN 0.392 nan 8.270 nan 0.000 0.443 15 N N 2.987 121.686 118.700 -0.000 0.000 2.402 15 N HA 0.407 5.284 4.740 0.228 0.000 0.294 15 N C -2.527 172.986 175.510 0.005 0.000 1.203 15 N CA -1.654 51.398 53.050 0.002 0.000 0.838 15 N CB 1.334 39.822 38.487 0.001 0.000 1.306 15 N HN 0.341 nan 8.380 nan 0.000 0.510 16 P HA 0.161 nan 4.420 nan 0.000 0.276 16 P C -0.728 176.574 177.300 0.003 0.000 1.243 16 P CA -0.061 63.043 63.100 0.006 0.000 0.768 16 P CB 0.674 32.376 31.700 0.004 0.000 0.856 17 S N 4.388 120.091 115.700 0.005 0.000 2.130 17 S HA 0.375 4.982 4.470 0.228 0.000 0.165 17 S C -2.289 172.306 174.600 -0.009 0.000 1.677 17 S CA -1.171 57.029 58.200 -0.001 0.000 1.227 17 S CB 0.266 63.468 63.200 0.003 0.000 1.115 17 S HN 0.403 nan 8.310 nan 0.000 0.452 18 P HA 0.501 nan 4.420 nan 0.000 0.285 18 P C -0.605 176.667 177.300 -0.047 0.000 1.269 18 P CA -0.833 62.255 63.100 -0.020 0.000 0.844 18 P CB 0.931 32.622 31.700 -0.014 0.000 1.094 19 I N -0.766 119.767 120.570 -0.061 0.000 2.541 19 I HA 0.361 4.667 4.170 0.228 0.000 0.295 19 I C 1.291 177.382 176.117 -0.043 0.000 1.137 19 I CA -0.928 60.321 61.300 -0.085 0.000 1.256 19 I CB -0.595 37.300 38.000 -0.175 0.000 1.648 19 I HN 0.304 nan 8.210 nan 0.000 0.570 30 P HA 0.362 nan 4.420 nan 0.000 0.291 30 P C 0.495 177.792 177.300 -0.004 0.000 1.287 30 P CA -0.322 62.776 63.100 -0.004 0.000 0.767 30 P CB 1.279 32.977 31.700 -0.004 0.000 1.290 31 K N -1.114 119.284 120.400 -0.005 0.000 2.354 31 K HA 0.085 4.542 4.320 0.228 0.000 0.210 31 K C 0.880 177.476 176.600 -0.006 0.000 1.184 31 K CA 0.229 56.513 56.287 -0.005 0.000 0.880 31 K CB -0.730 31.767 32.500 -0.005 0.000 1.328 31 K HN 0.509 nan 8.250 nan 0.000 0.466 32 S N 1.294 116.990 115.700 -0.005 0.000 2.601 32 S HA 0.589 5.196 4.470 0.228 0.000 0.271 32 S C 0.116 174.713 174.600 -0.005 0.000 1.305 32 S CA -0.517 57.680 58.200 -0.006 0.000 1.022 32 S CB 0.732 63.929 63.200 -0.006 0.000 0.940 32 S HN 0.378 nan 8.310 nan 0.000 0.525 33 M N 2.117 121.714 119.600 -0.005 0.000 2.342 33 M HA 0.385 5.001 4.480 0.228 0.000 0.276 33 M C -2.184 174.112 176.300 -0.005 0.000 1.054 33 M CA -0.605 54.692 55.300 -0.005 0.000 0.930 33 M CB 1.390 33.987 32.600 -0.005 0.000 1.929 33 M HN 0.906 nan 8.290 nan 0.000 0.492 34 I N 2.296 122.863 120.570 -0.005 0.000 2.782 34 I HA 0.180 4.487 4.170 0.228 0.000 0.279 34 I C 0.025 176.140 176.117 -0.004 0.000 1.247 34 I CA -0.254 61.043 61.300 -0.005 0.000 1.062 34 I CB 1.355 39.352 38.000 -0.005 0.000 1.421 34 I HN 0.599 nan 8.210 nan 0.000 0.558 35 S N 4.666 120.364 115.700 -0.004 0.000 2.448 35 S HA 0.401 5.008 4.470 0.228 0.000 0.279 35 S C 0.800 175.399 174.600 -0.002 0.000 1.195 35 S CA -0.314 57.885 58.200 -0.003 0.000 1.051 35 S CB 0.357 63.556 63.200 -0.003 0.000 0.948 35 S HN 0.495 nan 8.310 nan 0.000 0.493 36 L N 4.114 125.336 121.223 -0.002 0.000 2.818 36 L HA 0.337 4.813 4.340 0.228 0.000 0.243 36 L C 1.798 178.667 176.870 -0.000 0.000 1.185 36 L CA -0.126 54.713 54.840 -0.001 0.000 0.988 36 L CB -0.221 41.837 42.059 -0.001 0.000 1.292 36 L HN 0.713 nan 8.230 nan 0.000 0.519 37 A N 0.160 122.979 122.820 -0.001 0.000 2.030 37 A HA 0.356 4.813 4.320 0.228 0.000 0.215 37 A C 1.405 178.987 177.584 -0.003 0.000 1.164 37 A CA 0.699 52.735 52.037 -0.002 0.000 0.697 37 A CB -0.222 18.776 19.000 -0.004 0.000 0.827 37 A HN 0.351 nan 8.150 nan 0.000 0.457 38 G N -2.118 106.682 108.800 -0.001 0.000 2.557 38 G HA2 0.424 4.521 3.960 0.228 0.000 0.292 38 G HA3 0.424 4.521 3.960 0.228 0.000 0.292 38 G C 0.751 175.653 174.900 0.004 0.000 1.237 38 G CA 0.136 45.236 45.100 -0.002 0.000 0.978 38 G HN 0.505 nan 8.290 nan 0.000 0.498 39 G N -1.295 107.506 108.800 0.000 0.000 2.944 39 G HA2 0.245 4.342 3.960 0.228 0.000 0.220 39 G HA3 0.245 4.342 3.960 0.228 0.000 0.220 39 G C 0.682 175.620 174.900 0.063 0.000 1.100 39 G CA -0.438 44.667 45.100 0.008 0.000 0.780 39 G HN 0.471 nan 8.290 nan 0.000 0.539 40 L N 2.283 123.563 121.223 0.095 0.000 2.559 40 L HA 0.188 4.664 4.340 0.228 0.000 0.282 40 L C -1.724 175.245 176.870 0.165 0.000 1.232 40 L CA -1.319 53.647 54.840 0.210 0.000 0.885 40 L CB -0.224 41.948 42.059 0.187 0.000 1.131 40 L HN -0.004 nan 8.230 nan 0.000 0.498 41 P HA 0.034 nan 4.420 nan 0.000 0.273 41 P C -0.708 176.579 177.300 -0.023 0.000 1.250 41 P CA -0.546 62.610 63.100 0.094 0.000 0.793 41 P CB 0.388 32.178 31.700 0.150 0.000 1.011 42 N N 1.341 119.966 118.700 -0.125 0.000 2.420 42 N HA 0.071 4.948 4.740 0.228 0.000 0.262 42 N C -1.468 173.778 175.510 -0.441 0.000 1.144 42 N CA -1.351 51.584 53.050 -0.193 0.000 0.952 42 N CB 0.478 38.876 38.487 -0.148 0.000 1.081 42 N HN 0.237 nan 8.380 nan 0.000 0.480 43 P HA 0.017 nan 4.420 nan 0.000 0.249 43 P C -0.144 176.922 177.300 -0.390 0.000 1.241 43 P CA 0.430 63.240 63.100 -0.484 0.000 0.781 43 P CB 0.275 31.952 31.700 -0.038 0.000 1.088 44 N N -0.467 118.049 118.700 -0.307 0.000 2.424 44 N HA 0.076 4.953 4.740 0.228 0.000 0.178 44 N C 1.498 176.902 175.510 -0.177 0.000 1.060 44 N CA 0.608 53.559 53.050 -0.164 0.000 0.901 44 N CB -0.159 38.264 38.487 -0.108 0.000 0.979 44 N HN 0.124 nan 8.380 nan 0.000 0.451 45 M N -0.181 119.217 119.600 -0.336 0.000 2.419 45 M HA 0.085 4.701 4.480 0.228 0.000 0.264 45 M C 0.397 176.652 176.300 -0.075 0.000 1.082 45 M CA 0.396 55.552 55.300 -0.239 0.000 1.119 45 M CB -0.656 31.758 32.600 -0.311 0.000 1.398 45 M HN -0.053 nan 8.290 nan 0.000 0.453 46 F N 0.902 120.833 119.950 -0.032 0.000 2.389 46 F HA 0.116 4.781 4.527 0.229 0.000 0.337 46 F C -1.199 174.536 175.800 -0.109 0.000 1.112 46 F CA -2.054 55.914 58.000 -0.054 0.000 1.192 46 F CB 0.348 39.362 39.000 0.023 0.000 1.185 46 F HN -0.024 nan 8.300 nan 0.000 0.552 47 P HA -0.038 nan 4.420 nan 0.000 0.222 47 P C -0.364 176.803 177.300 -0.222 0.000 1.157 47 P CA 0.782 63.713 63.100 -0.283 0.000 0.816 47 P CB 0.172 31.521 31.700 -0.586 0.000 0.813 48 F N 0.284 120.295 119.950 0.102 0.000 2.456 48 F HA 0.188 4.853 4.527 0.231 0.000 0.358 48 F C 1.736 177.615 175.800 0.132 0.000 1.095 48 F CA -0.104 57.958 58.000 0.104 0.000 1.216 48 F CB 0.560 39.625 39.000 0.107 0.000 1.125 48 F HN -0.295 nan 8.300 nan 0.000 0.549 49 K N 0.539 121.103 120.400 0.274 0.000 2.399 49 K HA 0.155 4.611 4.320 0.228 0.000 0.196 49 K C 0.408 177.122 176.600 0.190 0.000 1.117 49 K CA 0.594 56.996 56.287 0.191 0.000 0.965 49 K CB 0.669 33.239 32.500 0.116 0.000 0.983 49 K HN 0.773 nan 8.250 nan 0.000 0.531 50 T N -1.933 112.745 114.554 0.206 0.000 2.853 50 T HA 0.782 5.268 4.350 0.228 0.000 0.311 50 T C -1.580 173.217 174.700 0.161 0.000 1.307 50 T CA -0.787 61.417 62.100 0.173 0.000 1.019 50 T CB 2.252 71.182 68.868 0.104 0.000 1.264 50 T HN 0.048 nan 8.240 nan 0.000 0.497 51 A N 1.086 123.962 122.820 0.093 0.000 2.572 51 A HA 0.835 5.292 4.320 0.228 0.000 0.295 51 A C -1.335 176.145 177.584 -0.173 0.000 1.072 51 A CA -0.813 51.202 52.037 -0.038 0.000 0.691 51 A CB 1.987 20.950 19.000 -0.063 0.000 1.291 51 A HN 1.271 nan 8.150 nan 0.000 0.404 52 V N 1.850 121.670 119.914 -0.156 0.000 2.638 52 V HA 0.571 4.827 4.120 0.228 0.000 0.306 52 V C -0.810 175.176 176.094 -0.179 0.000 1.052 52 V CA -0.183 62.015 62.300 -0.171 0.000 0.885 52 V CB 1.569 33.336 31.823 -0.093 0.000 0.999 52 V HN 0.722 nan 8.190 nan 0.000 0.424 53 I N 3.665 124.104 120.570 -0.218 0.000 2.478 53 I HA 0.417 4.724 4.170 0.228 0.000 0.287 53 I C 0.280 176.306 176.117 -0.152 0.000 1.042 53 I CA -0.427 60.761 61.300 -0.186 0.000 1.067 53 I CB 2.519 40.371 38.000 -0.247 0.000 1.233 53 I HN 0.733 nan 8.210 nan 0.000 0.431 54 T N 3.218 117.707 114.554 -0.108 0.000 2.909 54 T HA 0.659 5.146 4.350 0.228 0.000 0.289 54 T C -0.278 174.369 174.700 -0.087 0.000 1.005 54 T CA -0.621 61.427 62.100 -0.086 0.000 1.084 54 T CB 1.699 70.533 68.868 -0.056 0.000 0.975 54 T HN 0.219 nan 8.240 nan 0.000 0.509 55 V N 2.410 122.277 119.914 -0.078 0.000 2.540 55 V HA 0.387 4.644 4.120 0.228 0.000 0.302 55 V C 0.417 176.509 176.094 -0.004 0.000 1.035 55 V CA -1.051 61.207 62.300 -0.069 0.000 0.873 55 V CB 1.454 33.204 31.823 -0.121 0.000 0.992 55 V HN 1.022 nan 8.190 nan 0.000 0.428 56 E N 3.815 124.032 120.200 0.029 0.000 2.414 56 E HA 0.071 4.558 4.350 0.228 0.000 0.263 56 E C 0.478 177.166 176.600 0.148 0.000 1.000 56 E CA 0.425 56.867 56.400 0.070 0.000 0.914 56 E CB 0.064 29.808 29.700 0.074 0.000 0.948 56 E HN 0.789 nan 8.360 nan 0.000 0.444 57 N N 1.482 120.263 118.700 0.135 0.000 2.776 57 N HA -0.184 4.692 4.740 0.228 0.000 0.250 57 N C -0.321 175.375 175.510 0.311 0.000 1.112 57 N CA 0.462 53.626 53.050 0.190 0.000 0.733 57 N CB -0.870 37.736 38.487 0.199 0.000 1.097 57 N HN 0.597 nan 8.380 nan 0.000 0.558 58 G N 0.084 108.999 108.800 0.193 0.000 2.608 58 G HA2 0.437 4.533 3.960 0.228 0.000 0.291 58 G HA3 0.437 4.533 3.960 0.228 0.000 0.291 58 G C -1.507 173.414 174.900 0.035 0.000 1.425 58 G CA -0.724 44.463 45.100 0.145 0.000 0.787 58 G HN 0.126 nan 8.290 nan 0.000 0.484 59 K N 0.059 120.454 120.400 -0.008 0.000 2.174 59 K HA 0.526 4.982 4.320 0.228 0.000 0.275 59 K C 0.807 177.362 176.600 -0.074 0.000 1.015 59 K CA -0.172 56.098 56.287 -0.028 0.000 0.933 59 K CB 0.998 33.485 32.500 -0.022 0.000 1.025 59 K HN 0.703 nan 8.250 nan 0.000 0.463 60 T N 2.042 116.556 114.554 -0.068 0.000 2.903 60 T HA 0.181 4.668 4.350 0.228 0.000 0.314 60 T C 0.445 175.069 174.700 -0.126 0.000 1.078 60 T CA -0.396 61.645 62.100 -0.098 0.000 1.114 60 T CB 0.200 69.018 68.868 -0.082 0.000 0.987 60 T HN 0.469 nan 8.240 nan 0.000 0.548 61 I N 2.948 123.412 120.570 -0.176 0.000 2.336 61 I HA 0.281 4.587 4.170 0.228 0.000 0.292 61 I C 0.309 176.280 176.117 -0.243 0.000 0.991 61 I CA -0.803 60.371 61.300 -0.211 0.000 1.227 61 I CB 1.460 39.291 38.000 -0.283 0.000 1.366 61 I HN 0.611 nan 8.210 nan 0.000 0.466 62 Q N 6.900 126.610 119.800 -0.149 0.000 2.331 62 Q HA 0.466 4.943 4.340 0.228 0.000 0.267 62 Q C -1.120 174.915 176.000 0.058 0.000 1.006 62 Q CA -0.408 55.331 55.803 -0.107 0.000 0.818 62 Q CB 2.612 31.328 28.738 -0.037 0.000 1.276 62 Q HN 0.533 nan 8.270 nan 0.000 0.450 63 F N 1.130 121.004 119.950 -0.126 0.000 2.335 63 F HA 0.354 5.017 4.527 0.226 0.000 0.365 63 F C 1.314 177.074 175.800 -0.065 0.000 1.122 63 F CA -1.012 56.908 58.000 -0.133 0.000 1.151 63 F CB 1.111 39.990 39.000 -0.203 0.000 1.282 63 F HN 0.565 nan 8.300 nan 0.000 0.513 64 G N 2.429 111.305 108.800 0.128 0.000 2.684 64 G HA2 0.019 4.116 3.960 0.228 0.000 0.255 64 G HA3 0.019 4.116 3.960 0.228 0.000 0.255 64 G C 0.959 175.900 174.900 0.067 0.000 1.219 64 G CA -0.457 44.684 45.100 0.069 0.000 0.901 64 G HN 0.687 nan 8.290 nan 0.000 0.548 65 E N 0.242 120.473 120.200 0.052 0.000 2.038 65 E HA -0.208 4.279 4.350 0.228 0.000 0.195 65 E C 1.887 178.507 176.600 0.034 0.000 1.000 65 E CA 1.451 57.884 56.400 0.055 0.000 0.803 65 E CB -0.436 29.290 29.700 0.044 0.000 0.750 65 E HN 0.526 nan 8.360 nan 0.000 0.448 66 E N 0.814 121.020 120.200 0.010 0.000 2.130 66 E HA -0.190 4.297 4.350 0.228 0.000 0.196 66 E C 1.979 178.555 176.600 -0.041 0.000 0.998 66 E CA 1.597 57.989 56.400 -0.012 0.000 0.806 66 E CB -0.290 29.398 29.700 -0.020 0.000 0.738 66 E HN 0.267 nan 8.360 nan 0.000 0.459 67 M N -0.911 118.651 119.600 -0.063 0.000 2.288 67 M HA 0.035 4.651 4.480 0.228 0.000 0.266 67 M C 1.942 178.089 176.300 -0.255 0.000 1.072 67 M CA 1.294 56.492 55.300 -0.170 0.000 1.132 67 M CB -0.187 32.316 32.600 -0.163 0.000 1.386 67 M HN 0.234 nan 8.290 nan 0.000 0.432 68 M N 0.249 119.788 119.600 -0.102 0.000 2.132 68 M HA -0.097 4.520 4.480 0.228 0.000 0.263 68 M C 1.680 178.006 176.300 0.044 0.000 1.065 68 M CA 1.955 57.247 55.300 -0.014 0.000 1.122 68 M CB -0.371 32.329 32.600 0.167 0.000 1.365 68 M HN 0.229 nan 8.290 nan 0.000 0.411 69 K N -0.537 119.896 120.400 0.055 0.000 2.103 69 K HA -0.193 4.264 4.320 0.228 0.000 0.207 69 K C 2.205 178.834 176.600 0.047 0.000 1.048 69 K CA 1.794 58.135 56.287 0.090 0.000 0.930 69 K CB -0.423 32.109 32.500 0.052 0.000 0.716 69 K HN 0.408 nan 8.250 nan 0.000 0.444 70 R N 0.778 121.251 120.500 -0.046 0.000 2.115 70 R HA -0.073 4.404 4.340 0.228 0.000 0.230 70 R C 2.042 178.281 176.300 -0.101 0.000 1.111 70 R CA 1.336 57.388 56.100 -0.080 0.000 0.976 70 R CB -0.151 30.063 30.300 -0.143 0.000 0.870 70 R HN 0.206 nan 8.270 nan 0.000 0.445 71 A N 0.444 123.162 122.820 -0.170 0.000 2.066 71 A HA 0.026 4.483 4.320 0.228 0.000 0.218 71 A C 1.857 179.481 177.584 0.066 0.000 1.157 71 A CA 0.653 52.589 52.037 -0.169 0.000 0.670 71 A CB -0.076 18.639 19.000 -0.475 0.000 0.804 71 A HN 0.354 nan 8.150 nan 0.000 0.453 72 L N -1.106 120.180 121.223 0.106 0.000 2.607 72 L HA 0.135 4.611 4.340 0.228 0.000 0.228 72 L C 0.843 177.735 176.870 0.037 0.000 1.123 72 L CA -0.068 54.831 54.840 0.098 0.000 0.890 72 L CB 0.127 42.328 42.059 0.237 0.000 1.103 72 L HN 0.369 nan 8.230 nan 0.000 0.468 73 Q N -0.600 119.248 119.800 0.079 0.000 2.248 73 Q HA 0.256 4.733 4.340 0.228 0.000 0.263 73 Q C -0.989 175.028 176.000 0.028 0.000 1.007 73 Q CA -0.692 55.163 55.803 0.088 0.000 0.877 73 Q CB 0.870 29.680 28.738 0.120 0.000 1.315 73 Q HN -0.017 nan 8.270 nan 0.000 0.454 74 Y N 0.850 121.230 120.300 0.134 0.000 2.904 74 Y HA 0.105 4.791 4.550 0.227 0.000 0.336 74 Y C 0.789 176.599 175.900 -0.150 0.000 1.263 74 Y CA 1.010 59.169 58.100 0.097 0.000 1.547 74 Y CB 0.207 38.743 38.460 0.126 0.000 1.272 74 Y HN 0.611 nan 8.280 nan 0.000 0.596 75 S N 3.130 118.585 115.700 -0.409 0.000 2.745 75 S HA 0.769 5.376 4.470 0.228 0.000 0.306 75 S C -2.990 171.392 174.600 -0.363 0.000 1.137 75 S CA -2.048 55.918 58.200 -0.390 0.000 0.900 75 S CB 2.081 65.043 63.200 -0.396 0.000 1.176 75 S HN 0.241 nan 8.310 nan 0.000 0.520 76 P HA 0.310 nan 4.420 nan 0.000 0.269 76 P C 0.503 177.794 177.300 -0.014 0.000 1.215 76 P CA -0.203 62.855 63.100 -0.071 0.000 0.780 76 P CB 0.345 32.017 31.700 -0.046 0.000 0.898 77 S N 1.808 117.537 115.700 0.048 0.000 2.365 77 S HA -0.220 4.387 4.470 0.228 0.000 0.225 77 S C 1.770 176.419 174.600 0.080 0.000 1.039 77 S CA 1.879 60.136 58.200 0.094 0.000 1.033 77 S CB -0.871 62.364 63.200 0.058 0.000 0.887 77 S HN 0.654 nan 8.310 nan 0.000 0.447 78 A N 0.526 123.372 122.820 0.043 0.000 2.238 78 A HA 0.529 4.985 4.320 0.228 0.000 0.208 78 A C 1.021 178.625 177.584 0.034 0.000 1.177 78 A CA 0.674 52.731 52.037 0.034 0.000 0.804 78 A CB -0.672 18.338 19.000 0.017 0.000 0.823 78 A HN 0.907 nan 8.150 nan 0.000 0.482 79 G N -0.644 108.178 108.800 0.036 0.000 2.515 79 G HA2 0.111 4.208 3.960 0.228 0.000 0.686 79 G HA3 0.111 4.208 3.960 0.228 0.000 0.686 79 G C -0.205 174.686 174.900 -0.014 0.000 1.274 79 G CA -0.524 44.589 45.100 0.022 0.000 0.874 79 G HN 1.287 nan 8.290 nan 0.000 0.631 80 I N -0.500 120.054 120.570 -0.027 0.000 2.634 80 I HA 0.471 4.777 4.170 0.228 0.000 0.284 80 I C -0.806 175.296 176.117 -0.026 0.000 1.124 80 I CA -1.637 59.635 61.300 -0.047 0.000 1.417 80 I CB 1.276 39.233 38.000 -0.071 0.000 1.396 80 I HN 0.322 nan 8.210 nan 0.000 0.571 81 P HA -0.177 nan 4.420 nan 0.000 0.219 81 P C 1.056 178.369 177.300 0.022 0.000 1.150 81 P CA 1.336 64.432 63.100 -0.006 0.000 0.814 81 P CB -0.138 31.553 31.700 -0.015 0.000 0.787 82 E N 0.121 120.326 120.200 0.009 0.000 2.150 82 E HA -0.143 4.344 4.350 0.228 0.000 0.193 82 E C 2.015 178.739 176.600 0.208 0.000 0.985 82 E CA 0.843 57.284 56.400 0.068 0.000 0.814 82 E CB -1.206 28.424 29.700 -0.117 0.000 0.752 82 E HN 0.225 nan 8.360 nan 0.000 0.466 83 L N 0.584 121.859 121.223 0.087 0.000 2.209 83 L HA 0.083 4.560 4.340 0.228 0.000 0.207 83 L C 2.422 179.319 176.870 0.045 0.000 1.094 83 L CA 0.812 55.692 54.840 0.066 0.000 0.790 83 L CB -0.229 41.830 42.059 -0.000 0.000 0.932 83 L HN 0.050 nan 8.230 nan 0.000 0.447 84 L N -0.892 120.345 121.223 0.022 0.000 2.017 84 L HA -0.218 4.259 4.340 0.228 0.000 0.208 84 L C 2.756 179.633 176.870 0.011 0.000 1.073 84 L CA 1.662 56.497 54.840 -0.009 0.000 0.745 84 L CB -0.569 41.486 42.059 -0.006 0.000 0.894 84 L HN 0.526 nan 8.230 nan 0.000 0.432 85 S N -1.292 114.443 115.700 0.059 0.000 2.368 85 S HA -0.287 4.320 4.470 0.228 0.000 0.225 85 S C 1.748 176.386 174.600 0.065 0.000 1.030 85 S CA 1.013 59.247 58.200 0.057 0.000 0.999 85 S CB -1.030 62.219 63.200 0.081 0.000 0.844 85 S HN 0.551 nan 8.310 nan 0.000 0.459 86 W N 2.024 123.278 121.300 -0.077 0.000 2.358 86 W HA 0.059 4.848 4.660 0.216 0.000 0.303 86 W C 2.020 178.412 176.519 -0.211 0.000 1.208 86 W CA 1.309 58.548 57.345 -0.178 0.000 1.274 86 W CB -0.208 29.073 29.460 -0.299 0.000 1.138 86 W HN 0.265 nan 8.180 nan 0.000 0.515 87 L N 0.238 121.530 121.223 0.115 0.000 2.056 87 L HA -0.205 4.271 4.340 0.228 0.000 0.207 87 L C 2.482 179.259 176.870 -0.154 0.000 1.078 87 L CA 1.367 56.118 54.840 -0.148 0.000 0.749 87 L CB -1.071 40.598 42.059 -0.649 0.000 0.901 87 L HN -0.133 nan 8.230 nan 0.000 0.433 88 K N 0.010 120.342 120.400 -0.113 0.000 2.020 88 K HA -0.285 4.171 4.320 0.228 0.000 0.212 88 K C 2.249 178.788 176.600 -0.102 0.000 1.050 88 K CA 1.881 58.121 56.287 -0.079 0.000 0.929 88 K CB -0.208 32.258 32.500 -0.055 0.000 0.714 88 K HN 0.160 nan 8.250 nan 0.000 0.443 89 Q N 1.031 120.743 119.800 -0.147 0.000 2.084 89 Q HA -0.137 4.339 4.340 0.228 0.000 0.202 89 Q C 2.001 177.832 176.000 -0.282 0.000 0.978 89 Q CA 1.074 56.748 55.803 -0.216 0.000 0.844 89 Q CB -0.202 28.367 28.738 -0.282 0.000 0.898 89 Q HN 0.219 nan 8.270 nan 0.000 0.426 90 L N 0.122 121.137 121.223 -0.348 0.000 2.043 90 L HA -0.276 4.201 4.340 0.228 0.000 0.212 90 L C 2.019 178.831 176.870 -0.096 0.000 1.075 90 L CA 1.874 56.565 54.840 -0.248 0.000 0.752 90 L CB -0.363 41.619 42.059 -0.129 0.000 0.891 90 L HN 0.268 nan 8.230 nan 0.000 0.432 91 Q N -0.563 119.214 119.800 -0.037 0.000 2.083 91 Q HA -0.102 4.374 4.340 0.228 0.000 0.198 91 Q C 2.431 178.415 176.000 -0.026 0.000 0.969 91 Q CA 1.816 57.644 55.803 0.041 0.000 0.838 91 Q CB -0.271 28.534 28.738 0.111 0.000 0.900 91 Q HN 0.604 nan 8.270 nan 0.000 0.436 92 I N 1.020 121.547 120.570 -0.071 0.000 2.248 92 I HA -0.286 4.021 4.170 0.228 0.000 0.248 92 I C 2.234 178.290 176.117 -0.102 0.000 1.107 92 I CA 1.187 62.433 61.300 -0.091 0.000 1.373 92 I CB -0.115 37.822 38.000 -0.104 0.000 1.055 92 I HN 0.068 nan 8.210 nan 0.000 0.418 93 K N -0.142 120.181 120.400 -0.129 0.000 2.228 93 K HA -0.026 4.430 4.320 0.228 0.000 0.202 93 K C 1.865 178.385 176.600 -0.134 0.000 1.051 93 K CA 0.948 57.160 56.287 -0.125 0.000 0.960 93 K CB 0.013 32.427 32.500 -0.142 0.000 0.743 93 K HN 0.208 nan 8.250 nan 0.000 0.458 94 L N -0.302 120.787 121.223 -0.224 0.000 2.298 94 L HA 0.008 4.485 4.340 0.228 0.000 0.209 94 L C 1.525 178.148 176.870 -0.411 0.000 1.084 94 L CA 1.513 56.117 54.840 -0.393 0.000 0.816 94 L CB -0.141 41.471 42.059 -0.745 0.000 0.967 94 L HN 0.204 nan 8.230 nan 0.000 0.460 95 H N -2.892 116.159 119.070 -0.030 0.000 3.583 95 H HA 0.196 4.883 4.556 0.219 0.000 0.251 95 H C 0.376 175.655 175.328 -0.081 0.000 1.060 95 H CA -0.116 55.893 56.048 -0.066 0.000 1.159 95 H CB -0.026 29.678 29.762 -0.095 0.000 1.496 95 H HN 0.104 nan 8.280 nan 0.000 0.540 96 N N 2.371 121.075 118.700 0.007 0.000 2.684 96 N HA -0.126 4.751 4.740 0.228 0.000 0.284 96 N C -2.810 172.660 175.510 -0.067 0.000 1.067 96 N CA -0.120 52.902 53.050 -0.048 0.000 0.791 96 N CB -0.483 37.974 38.487 -0.050 0.000 0.934 96 N HN 0.125 nan 8.380 nan 0.000 0.566 97 P HA 0.081 nan 4.420 nan 0.000 0.267 97 P C -1.770 175.410 177.300 -0.200 0.000 1.205 97 P CA -1.063 61.960 63.100 -0.129 0.000 0.765 97 P CB 0.593 32.213 31.700 -0.133 0.000 0.828 98 P HA -0.175 nan 4.420 nan 0.000 0.220 98 P C 1.013 178.021 177.300 -0.487 0.000 1.144 98 P CA 1.671 64.651 63.100 -0.201 0.000 0.800 98 P CB -0.363 31.274 31.700 -0.105 0.000 0.772 99 T N -4.135 110.021 114.554 -0.663 0.000 3.086 99 T HA 0.084 4.570 4.350 0.228 0.000 0.250 99 T C 1.593 175.875 174.700 -0.697 0.000 1.074 99 T CA -0.106 61.246 62.100 -1.247 0.000 0.988 99 T CB -1.174 67.268 68.868 -0.709 0.000 0.988 99 T HN 0.201 nan 8.240 nan 0.000 0.530 100 I N -0.807 119.491 120.570 -0.453 0.000 2.335 100 I HA -0.110 4.197 4.170 0.228 0.000 0.251 100 I C 1.839 177.803 176.117 -0.255 0.000 1.129 100 I CA 1.373 62.460 61.300 -0.356 0.000 1.402 100 I CB -0.838 36.910 38.000 -0.420 0.000 1.069 100 I HN 0.257 nan 8.210 nan 0.000 0.424 101 H N -1.254 117.798 119.070 -0.030 0.000 2.594 101 H HA 0.325 5.018 4.556 0.229 0.000 0.279 101 H C -0.136 175.311 175.328 0.198 0.000 1.042 101 H CA -0.519 55.572 56.048 0.072 0.000 1.177 101 H CB 0.096 29.899 29.762 0.069 0.000 1.524 101 H HN 0.298 nan 8.280 nan 0.000 0.537 102 Y N 1.666 122.027 120.300 0.101 0.000 2.457 102 Y HA 0.026 4.714 4.550 0.230 0.000 0.341 102 Y C -1.744 174.197 175.900 0.069 0.000 1.240 102 Y CA -2.612 55.534 58.100 0.077 0.000 1.437 102 Y CB 0.135 38.632 38.460 0.062 0.000 1.328 102 Y HN 0.021 nan 8.280 nan 0.000 0.588 103 P HA -0.122 nan 4.420 nan 0.000 0.261 103 P C -2.028 175.352 177.300 0.133 0.000 1.165 103 P CA -0.473 62.703 63.100 0.127 0.000 0.759 103 P CB 0.120 31.865 31.700 0.076 0.000 0.772 104 P HA -0.258 nan 4.420 nan 0.000 0.218 104 P C 1.355 178.691 177.300 0.061 0.000 1.154 104 P CA 2.104 65.242 63.100 0.063 0.000 0.872 104 P CB -0.251 31.474 31.700 0.040 0.000 0.790 105 S N -2.665 113.080 115.700 0.076 0.000 2.470 105 S HA 0.007 4.613 4.470 0.228 0.000 0.225 105 S C 1.209 175.919 174.600 0.183 0.000 1.006 105 S CA 0.068 58.324 58.200 0.094 0.000 0.934 105 S CB -0.702 62.547 63.200 0.081 0.000 0.778 105 S HN 0.174 nan 8.310 nan 0.000 0.517 106 Q N 0.697 120.603 119.800 0.176 0.000 2.370 106 Q HA 0.408 4.885 4.340 0.228 0.000 0.186 106 Q C 0.610 176.803 176.000 0.323 0.000 1.093 106 Q CA 0.046 55.994 55.803 0.242 0.000 1.142 106 Q CB -0.018 28.794 28.738 0.124 0.000 1.175 106 Q HN 0.477 nan 8.270 nan 0.000 0.625 107 G N 0.844 109.894 108.800 0.417 0.000 3.541 107 G HA2 0.020 4.117 3.960 0.228 0.000 0.253 107 G HA3 0.020 4.117 3.960 0.228 0.000 0.253 107 G C -0.123 174.883 174.900 0.177 0.000 1.017 107 G CA -0.127 45.162 45.100 0.315 0.000 1.832 107 G HN 0.370 nan 8.290 nan 0.000 0.649 108 Q N 0.726 120.614 119.800 0.145 0.000 2.304 108 Q HA 0.082 4.558 4.340 0.228 0.000 0.301 108 Q C 0.724 176.718 176.000 -0.009 0.000 1.063 108 Q CA -0.127 55.717 55.803 0.069 0.000 0.947 108 Q CB 0.538 29.322 28.738 0.078 0.000 1.201 108 Q HN 0.480 nan 8.270 nan 0.000 0.389 109 M N 3.609 123.172 119.600 -0.061 0.000 2.238 109 M HA 0.041 4.657 4.480 0.228 0.000 0.350 109 M C -0.997 175.276 176.300 -0.044 0.000 1.321 109 M CA 0.584 55.842 55.300 -0.070 0.000 1.097 109 M CB 0.447 32.984 32.600 -0.106 0.000 1.713 109 M HN 0.640 nan 8.290 nan 0.000 0.455 110 D N 4.182 124.560 120.400 -0.036 0.000 2.581 110 D HA 0.636 5.412 4.640 0.228 0.000 0.232 110 D C -1.996 174.296 176.300 -0.013 0.000 1.143 110 D CA -0.443 53.542 54.000 -0.025 0.000 0.881 110 D CB 2.115 42.899 40.800 -0.027 0.000 1.500 110 D HN 0.723 nan 8.370 nan 0.000 0.458 111 L N 1.460 122.681 121.223 -0.003 0.000 2.422 111 L HA 0.661 5.137 4.340 0.228 0.000 0.264 111 L C -1.642 175.239 176.870 0.018 0.000 0.984 111 L CA -0.626 54.226 54.840 0.020 0.000 0.819 111 L CB 1.838 43.908 42.059 0.019 0.000 1.330 111 L HN 0.599 nan 8.230 nan 0.000 0.410 112 C N 4.765 124.092 119.300 0.044 0.000 2.397 112 C HA 0.627 5.224 4.460 0.228 0.000 0.325 112 C C -0.219 174.820 174.990 0.081 0.000 1.201 112 C CA -0.549 58.494 59.018 0.041 0.000 1.377 112 C CB 0.879 28.634 27.740 0.026 0.000 2.038 112 C HN 0.618 nan 8.230 nan 0.000 0.457 113 V N 6.723 126.676 119.914 0.065 0.000 2.585 113 V HA 0.397 4.654 4.120 0.228 0.000 0.296 113 V C 0.996 177.140 176.094 0.083 0.000 1.035 113 V CA 0.713 63.070 62.300 0.095 0.000 1.084 113 V CB 1.102 32.962 31.823 0.063 0.000 0.953 113 V HN 1.014 nan 8.190 nan 0.000 0.483 114 T N 0.955 115.558 114.554 0.082 0.000 2.916 114 T HA 0.402 4.889 4.350 0.228 0.000 0.292 114 T C -0.111 174.610 174.700 0.036 0.000 1.055 114 T CA -0.740 61.382 62.100 0.037 0.000 1.009 114 T CB 1.659 70.526 68.868 -0.002 0.000 1.118 114 T HN 0.397 nan 8.240 nan 0.000 0.497 115 S N 1.985 117.694 115.700 0.015 0.000 3.517 115 S HA 0.528 5.135 4.470 0.228 0.000 0.284 115 S C 1.047 175.654 174.600 0.011 0.000 1.260 115 S CA 0.191 58.402 58.200 0.018 0.000 0.975 115 S CB -1.165 62.034 63.200 -0.002 0.000 1.540 115 S HN 1.491 nan 8.310 nan 0.000 0.506 116 G N 2.317 111.131 108.800 0.023 0.000 2.801 116 G HA2 -0.238 3.859 3.960 0.228 0.000 0.686 116 G HA3 -0.238 3.859 3.960 0.228 0.000 0.686 116 G C 0.675 175.556 174.900 -0.033 0.000 1.507 116 G CA -0.255 44.848 45.100 0.005 0.000 0.980 116 G HN 0.951 nan 8.290 nan 0.000 0.589 117 S N -0.422 115.237 115.700 -0.068 0.000 2.522 117 S HA 0.008 4.615 4.470 0.228 0.000 0.227 117 S C 1.797 176.344 174.600 -0.088 0.000 0.986 117 S CA 1.519 59.649 58.200 -0.117 0.000 0.929 117 S CB 0.264 63.350 63.200 -0.190 0.000 0.769 117 S HN 0.748 nan 8.310 nan 0.000 0.529 118 Q N 0.413 120.187 119.800 -0.043 0.000 2.331 118 Q HA 0.081 4.558 4.340 0.228 0.000 0.203 118 Q C 2.371 178.348 176.000 -0.039 0.000 0.944 118 Q CA 0.558 56.355 55.803 -0.009 0.000 0.892 118 Q CB -0.089 28.684 28.738 0.059 0.000 0.983 118 Q HN 0.649 nan 8.270 nan 0.000 0.482 119 Q N -0.309 119.463 119.800 -0.048 0.000 2.020 119 Q HA -0.167 4.310 4.340 0.228 0.000 0.202 119 Q C 1.921 177.859 176.000 -0.104 0.000 0.982 119 Q CA 1.710 57.473 55.803 -0.067 0.000 0.838 119 Q CB -0.253 28.451 28.738 -0.057 0.000 0.899 119 Q HN 0.488 nan 8.270 nan 0.000 0.423 120 G N 1.261 109.997 108.800 -0.106 0.000 2.446 120 G HA2 -0.279 3.818 3.960 0.228 0.000 0.217 120 G HA3 -0.279 3.818 3.960 0.228 0.000 0.217 120 G C 1.375 176.150 174.900 -0.208 0.000 1.168 120 G CA 0.923 45.945 45.100 -0.129 0.000 0.771 120 G HN 0.380 nan 8.290 nan 0.000 0.551 121 L N 0.446 121.522 121.223 -0.246 0.000 2.083 121 L HA -0.011 4.466 4.340 0.228 0.000 0.209 121 L C 2.758 179.184 176.870 -0.739 0.000 1.083 121 L CA 1.821 56.387 54.840 -0.456 0.000 0.752 121 L CB -0.848 41.041 42.059 -0.284 0.000 0.899 121 L HN 0.303 nan 8.230 nan 0.000 0.433 122 C N -0.229 118.864 119.300 -0.344 0.000 2.462 122 C HA -0.128 4.469 4.460 0.228 0.000 0.278 122 C C 2.766 177.686 174.990 -0.115 0.000 1.253 122 C CA 0.909 59.837 59.018 -0.152 0.000 1.713 122 C CB -0.782 26.948 27.740 -0.016 0.000 2.049 122 C HN 0.542 nan 8.230 nan 0.000 0.477 123 K N 0.070 120.403 120.400 -0.112 0.000 2.360 123 K HA -0.081 4.376 4.320 0.228 0.000 0.201 123 K C 1.758 178.353 176.600 -0.009 0.000 1.046 123 K CA 1.109 57.395 56.287 -0.001 0.000 0.945 123 K CB -0.039 32.429 32.500 -0.053 0.000 0.750 123 K HN 0.461 nan 8.250 nan 0.000 0.464 124 V N 0.360 120.160 119.914 -0.188 0.000 2.446 124 V HA -0.149 4.108 4.120 0.228 0.000 0.244 124 V C 1.713 177.758 176.094 -0.082 0.000 1.039 124 V CA 1.388 63.568 62.300 -0.201 0.000 1.045 124 V CB -0.385 31.225 31.823 -0.354 0.000 0.681 124 V HN 0.231 nan 8.190 nan 0.000 0.459 125 F N 0.745 120.696 119.950 0.001 0.000 2.126 125 F HA -0.207 4.456 4.527 0.226 0.000 0.299 125 F C 2.500 178.371 175.800 0.117 0.000 1.096 125 F CA 1.583 59.631 58.000 0.080 0.000 1.255 125 F CB -0.334 38.711 39.000 0.075 0.000 0.997 125 F HN 0.198 nan 8.300 nan 0.000 0.479 126 E N 0.197 120.554 120.200 0.261 0.000 2.153 126 E HA -0.251 4.236 4.350 0.228 0.000 0.194 126 E C 2.098 178.781 176.600 0.138 0.000 0.988 126 E CA 1.291 57.803 56.400 0.186 0.000 0.811 126 E CB -0.254 29.562 29.700 0.193 0.000 0.746 126 E HN 0.493 nan 8.360 nan 0.000 0.466 127 M N 0.318 120.000 119.600 0.137 0.000 2.254 127 M HA -0.090 4.527 4.480 0.228 0.000 0.265 127 M C 1.764 178.155 176.300 0.152 0.000 1.066 127 M CA 1.474 56.839 55.300 0.109 0.000 1.123 127 M CB 0.187 32.840 32.600 0.088 0.000 1.388 127 M HN 0.062 nan 8.290 nan 0.000 0.425 128 I N 0.039 120.742 120.570 0.222 0.000 2.512 128 I HA 0.023 4.330 4.170 0.228 0.000 0.247 128 I C 0.583 176.844 176.117 0.240 0.000 1.094 128 I CA 0.331 61.809 61.300 0.298 0.000 1.427 128 I CB 0.279 38.559 38.000 0.467 0.000 1.149 128 I HN 0.091 nan 8.210 nan 0.000 0.438 129 I N 2.513 123.225 120.570 0.236 0.000 2.363 129 I HA 0.025 4.331 4.170 0.228 0.000 0.292 129 I C -0.260 175.903 176.117 0.077 0.000 1.075 129 I CA -0.067 61.324 61.300 0.153 0.000 1.333 129 I CB -0.076 38.018 38.000 0.155 0.000 1.415 129 I HN 0.205 nan 8.210 nan 0.000 0.502 130 N N 8.578 127.302 118.700 0.039 0.000 2.524 130 N HA 0.316 5.192 4.740 0.228 0.000 0.283 130 N C -2.424 173.080 175.510 -0.010 0.000 1.142 130 N CA -1.482 51.574 53.050 0.010 0.000 0.984 130 N CB 0.694 39.181 38.487 -0.001 0.000 1.155 130 N HN 0.187 nan 8.380 nan 0.000 0.467 131 P HA 0.061 nan 4.420 nan 0.000 0.266 131 P C 0.858 178.140 177.300 -0.031 0.000 1.195 131 P CA 0.591 63.674 63.100 -0.029 0.000 0.768 131 P CB 0.392 32.074 31.700 -0.029 0.000 0.838 132 G N 1.344 110.122 108.800 -0.037 0.000 2.217 132 G HA2 -0.202 3.895 3.960 0.228 0.000 0.246 132 G HA3 -0.202 3.895 3.960 0.228 0.000 0.246 132 G C 0.007 174.882 174.900 -0.041 0.000 0.990 132 G CA -0.187 44.895 45.100 -0.031 0.000 0.627 132 G HN 0.512 nan 8.290 nan 0.000 0.522 133 D N 1.341 121.707 120.400 -0.058 0.000 2.423 133 D HA 0.356 5.132 4.640 0.228 0.000 0.238 133 D C 0.468 176.694 176.300 -0.124 0.000 1.142 133 D CA 0.149 54.096 54.000 -0.089 0.000 0.884 133 D CB 0.373 41.118 40.800 -0.091 0.000 1.199 133 D HN 0.228 nan 8.370 nan 0.000 0.438 134 N N 0.479 119.087 118.700 -0.154 0.000 2.430 134 N HA 0.403 5.280 4.740 0.228 0.000 0.292 134 N C -0.773 174.541 175.510 -0.327 0.000 1.051 134 N CA -0.461 52.485 53.050 -0.174 0.000 0.917 134 N CB 1.758 40.193 38.487 -0.087 0.000 1.164 134 N HN 0.140 nan 8.380 nan 0.000 0.484 135 V N -0.361 119.343 119.914 -0.350 0.000 2.789 135 V HA 0.619 4.875 4.120 0.228 0.000 0.311 135 V C -0.367 175.548 176.094 -0.298 0.000 1.073 135 V CA -1.058 60.927 62.300 -0.526 0.000 0.921 135 V CB 1.675 33.047 31.823 -0.752 0.000 1.009 135 V HN 0.352 nan 8.190 nan 0.000 0.426 136 L N 5.182 126.245 121.223 -0.268 0.000 2.289 136 L HA 0.864 5.341 4.340 0.228 0.000 0.285 136 L C -0.486 176.402 176.870 0.030 0.000 1.049 136 L CA -0.441 54.323 54.840 -0.128 0.000 0.804 136 L CB 1.449 43.384 42.059 -0.206 0.000 1.195 136 L HN 0.801 nan 8.230 nan 0.000 0.428 137 L N -0.036 121.221 121.223 0.058 0.000 2.600 137 L HA 0.699 5.176 4.340 0.228 0.000 0.257 137 L C -1.393 175.535 176.870 0.097 0.000 1.048 137 L CA -0.873 54.054 54.840 0.145 0.000 0.869 137 L CB 1.624 43.837 42.059 0.257 0.000 1.482 137 L HN 0.517 nan 8.230 nan 0.000 0.408 138 D N -0.762 119.701 120.400 0.105 0.000 2.198 138 D HA 0.501 5.278 4.640 0.228 0.000 0.247 138 D C -1.059 175.266 176.300 0.042 0.000 1.010 138 D CA -0.253 53.788 54.000 0.069 0.000 0.880 138 D CB 2.559 43.394 40.800 0.058 0.000 1.209 138 D HN 0.756 nan 8.370 nan 0.000 0.451 139 E N 0.782 120.996 120.200 0.024 0.000 2.248 139 E HA 0.392 4.879 4.350 0.228 0.000 0.267 139 E C -2.504 174.055 176.600 -0.068 0.000 0.877 139 E CA -2.137 54.229 56.400 -0.057 0.000 0.759 139 E CB 2.361 32.097 29.700 0.060 0.000 1.182 139 E HN 0.264 nan 8.360 nan 0.000 0.418 140 P HA 0.191 nan 4.420 nan 0.000 0.275 140 P C -1.432 175.651 177.300 -0.362 0.000 1.227 140 P CA -0.182 62.542 63.100 -0.628 0.000 0.781 140 P CB 1.055 32.212 31.700 -0.904 0.000 0.906 141 A N 2.324 125.010 122.820 -0.223 0.000 2.430 141 A HA 0.498 4.955 4.320 0.228 0.000 0.300 141 A C -1.342 176.342 177.584 0.167 0.000 1.124 141 A CA -0.674 51.370 52.037 0.013 0.000 0.766 141 A CB 0.585 19.622 19.000 0.062 0.000 1.328 141 A HN 0.488 nan 8.150 nan 0.000 0.424 142 Y N 1.772 122.159 120.300 0.145 0.000 2.650 142 Y HA 0.152 4.851 4.550 0.249 0.000 0.331 142 Y C 1.559 177.483 175.900 0.040 0.000 1.165 142 Y CA 0.643 58.849 58.100 0.177 0.000 1.473 142 Y CB 0.339 38.931 38.460 0.220 0.000 1.224 142 Y HN 0.715 nan 8.280 nan 0.000 0.533 143 S N 3.939 119.357 115.700 -0.470 0.000 2.406 143 S HA -0.327 4.279 4.470 0.228 0.000 0.242 143 S C 2.042 176.151 174.600 -0.819 0.000 1.079 143 S CA 2.198 59.977 58.200 -0.702 0.000 1.133 143 S CB -0.879 61.936 63.200 -0.641 0.000 1.005 143 S HN 1.063 nan 8.310 nan 0.000 0.443 144 G N -0.152 107.663 108.800 -1.641 0.000 2.408 144 G HA2 -0.151 3.945 3.960 0.228 0.000 0.217 144 G HA3 -0.151 3.945 3.960 0.228 0.000 0.217 144 G C 1.442 176.056 174.900 -0.477 0.000 1.150 144 G CA 1.436 45.968 45.100 -0.946 0.000 0.776 144 G HN 0.543 nan 8.290 nan 0.000 0.542 145 T N 1.435 115.701 114.554 -0.480 0.000 2.821 145 T HA 0.024 4.510 4.350 0.228 0.000 0.267 145 T C 2.415 176.934 174.700 -0.302 0.000 1.046 145 T CA 0.662 62.610 62.100 -0.254 0.000 1.139 145 T CB -0.125 68.553 68.868 -0.316 0.000 0.871 145 T HN 0.161 nan 8.240 nan 0.000 0.454 146 L N 0.761 121.813 121.223 -0.284 0.000 2.056 146 L HA -0.079 4.398 4.340 0.228 0.000 0.207 146 L C 2.817 179.598 176.870 -0.148 0.000 1.078 146 L CA 0.917 55.634 54.840 -0.206 0.000 0.749 146 L CB -0.573 41.377 42.059 -0.183 0.000 0.901 146 L HN 0.125 nan 8.230 nan 0.000 0.433 147 Q N -0.775 118.924 119.800 -0.169 0.000 2.437 147 Q HA -0.106 4.370 4.340 0.228 0.000 0.210 147 Q C 2.299 178.281 176.000 -0.029 0.000 0.972 147 Q CA 0.960 56.711 55.803 -0.087 0.000 0.903 147 Q CB -0.179 28.492 28.738 -0.112 0.000 0.967 147 Q HN 0.342 nan 8.270 nan 0.000 0.486 148 S N -0.377 115.283 115.700 -0.066 0.000 2.387 148 S HA 0.146 4.753 4.470 0.228 0.000 0.221 148 S C 1.741 176.308 174.600 -0.055 0.000 1.041 148 S CA 0.007 58.201 58.200 -0.010 0.000 0.959 148 S CB 0.182 63.421 63.200 0.064 0.000 0.843 148 S HN 0.265 nan 8.310 nan 0.000 0.488 149 L N 0.902 122.015 121.223 -0.183 0.000 2.240 149 L HA -0.010 4.467 4.340 0.228 0.000 0.211 149 L C 2.473 179.290 176.870 -0.088 0.000 1.106 149 L CA 1.046 55.750 54.840 -0.226 0.000 0.793 149 L CB -0.615 41.232 42.059 -0.353 0.000 0.927 149 L HN 0.532 nan 8.230 nan 0.000 0.446 150 H N 1.697 120.692 119.070 -0.125 0.000 2.319 150 H HA -0.117 4.575 4.556 0.227 0.000 0.299 150 H C -0.580 174.714 175.328 -0.057 0.000 1.092 150 H CA 1.681 57.678 56.048 -0.086 0.000 1.302 150 H CB -0.705 29.010 29.762 -0.078 0.000 1.373 150 H HN 0.210 nan 8.280 nan 0.000 0.497 151 P HA -0.078 nan 4.420 nan 0.000 0.226 151 P C 1.367 178.564 177.300 -0.171 0.000 1.153 151 P CA 0.504 63.441 63.100 -0.273 0.000 0.777 151 P CB 0.017 31.663 31.700 -0.091 0.000 0.794 152 L N -0.732 120.422 121.223 -0.115 0.000 2.599 152 L HA 0.166 4.643 4.340 0.228 0.000 0.230 152 L C 1.498 178.323 176.870 -0.075 0.000 1.141 152 L CA 1.212 56.016 54.840 -0.060 0.000 0.877 152 L CB -1.804 40.247 42.059 -0.012 0.000 1.009 152 L HN 0.151 nan 8.230 nan 0.000 0.447 153 G N 0.792 109.519 108.800 -0.121 0.000 2.283 153 G HA2 -0.332 3.764 3.960 0.228 0.000 0.280 153 G HA3 -0.332 3.764 3.960 0.228 0.000 0.280 153 G C 0.626 175.482 174.900 -0.073 0.000 1.029 153 G CA 0.505 45.546 45.100 -0.098 0.000 0.840 153 G HN 0.548 nan 8.290 nan 0.000 0.505 154 C N -1.248 118.003 119.300 -0.082 0.000 2.422 154 C HA 0.763 5.360 4.460 0.228 0.000 0.364 154 C C 0.661 175.605 174.990 -0.077 0.000 1.251 154 C CA -1.226 57.737 59.018 -0.092 0.000 2.441 154 C CB 1.301 28.961 27.740 -0.134 0.000 2.393 154 C HN 0.621 nan 8.230 nan 0.000 0.606 155 N N 0.876 119.529 118.700 -0.080 0.000 2.469 155 N HA 0.409 5.286 4.740 0.228 0.000 0.253 155 N C -0.980 174.485 175.510 -0.076 0.000 0.970 155 N CA -0.546 52.472 53.050 -0.054 0.000 0.940 155 N CB 0.458 38.928 38.487 -0.029 0.000 1.128 155 N HN 0.725 nan 8.380 nan 0.000 0.503 156 I N 5.478 126.010 120.570 -0.062 0.000 2.347 156 I HA 0.152 4.459 4.170 0.228 0.000 0.294 156 I C 0.313 176.411 176.117 -0.032 0.000 1.090 156 I CA -0.242 61.019 61.300 -0.066 0.000 1.314 156 I CB 0.418 38.386 38.000 -0.053 0.000 1.423 156 I HN 0.392 nan 8.210 nan 0.000 0.503 157 I N 5.735 126.281 120.570 -0.040 0.000 2.301 157 I HA 0.139 4.445 4.170 0.228 0.000 0.292 157 I C 0.226 176.340 176.117 -0.005 0.000 1.046 157 I CA -0.381 60.910 61.300 -0.014 0.000 1.282 157 I CB 0.571 38.568 38.000 -0.005 0.000 1.409 157 I HN 0.538 nan 8.210 nan 0.000 0.484 158 N N 5.901 124.612 118.700 0.019 0.000 2.488 158 N HA 0.270 5.147 4.740 0.228 0.000 0.274 158 N C -0.842 174.691 175.510 0.039 0.000 1.111 158 N CA -0.164 52.910 53.050 0.041 0.000 0.974 158 N CB 1.156 39.684 38.487 0.068 0.000 1.089 158 N HN 0.300 nan 8.380 nan 0.000 0.465 159 V N 2.033 121.974 119.914 0.045 0.000 2.547 159 V HA 0.644 4.901 4.120 0.228 0.000 0.299 159 V C 0.468 176.601 176.094 0.064 0.000 1.040 159 V CA -1.287 61.041 62.300 0.048 0.000 0.913 159 V CB 1.180 33.032 31.823 0.048 0.000 0.992 159 V HN 0.849 nan 8.190 nan 0.000 0.449 160 A N 3.689 126.549 122.820 0.065 0.000 2.477 160 A HA 0.566 5.022 4.320 0.228 0.000 0.246 160 A C 0.541 178.168 177.584 0.072 0.000 1.078 160 A CA 0.122 52.204 52.037 0.076 0.000 0.770 160 A CB 0.020 19.064 19.000 0.073 0.000 1.011 160 A HN 1.185 nan 8.150 nan 0.000 0.494 161 S N 1.435 117.180 115.700 0.075 0.000 2.513 161 S HA 0.731 5.338 4.470 0.228 0.000 0.299 161 S C -0.738 173.902 174.600 0.067 0.000 1.087 161 S CA -0.381 57.855 58.200 0.059 0.000 1.012 161 S CB 1.838 65.060 63.200 0.037 0.000 1.044 161 S HN 0.821 nan 8.310 nan 0.000 0.485 162 D N 0.830 121.256 120.400 0.044 0.000 2.726 162 D HA 0.326 5.103 4.640 0.228 0.000 0.241 162 D C 0.449 176.722 176.300 -0.045 0.000 1.150 162 D CA -0.759 53.260 54.000 0.031 0.000 1.089 162 D CB -0.453 40.369 40.800 0.037 0.000 1.260 162 D HN 0.422 nan 8.370 nan 0.000 0.637 163 E N -0.701 119.391 120.200 -0.180 0.000 2.396 163 E HA -0.006 4.481 4.350 0.228 0.000 0.200 163 E C 0.510 177.030 176.600 -0.132 0.000 1.023 163 E CA 1.040 57.248 56.400 -0.320 0.000 0.857 163 E CB -0.254 29.128 29.700 -0.530 0.000 0.775 163 E HN 0.246 nan 8.360 nan 0.000 0.525 164 S N -0.065 115.596 115.700 -0.066 0.000 2.664 164 S HA 0.441 5.048 4.470 0.228 0.000 0.245 164 S C 0.667 175.265 174.600 -0.002 0.000 1.019 164 S CA -0.155 58.029 58.200 -0.027 0.000 0.996 164 S CB 0.606 63.798 63.200 -0.013 0.000 0.878 164 S HN 0.505 nan 8.310 nan 0.000 0.493 165 G N 2.222 111.019 108.800 -0.004 0.000 2.601 165 G HA2 -0.263 3.834 3.960 0.228 0.000 0.252 165 G HA3 -0.263 3.834 3.960 0.228 0.000 0.252 165 G C -0.254 174.672 174.900 0.043 0.000 1.294 165 G CA -0.668 44.443 45.100 0.019 0.000 0.912 165 G HN 0.406 nan 8.290 nan 0.000 0.574 166 I N 0.110 120.720 120.570 0.067 0.000 3.089 166 I HA 0.013 4.319 4.170 0.228 0.000 0.321 166 I C 1.203 177.369 176.117 0.081 0.000 1.222 166 I CA 0.605 61.955 61.300 0.083 0.000 1.452 166 I CB 0.169 38.239 38.000 0.116 0.000 1.321 166 I HN 0.449 nan 8.210 nan 0.000 0.539 167 V N 9.898 129.856 119.914 0.074 0.000 2.427 167 V HA 0.074 4.331 4.120 0.228 0.000 0.268 167 V C -1.232 174.913 176.094 0.084 0.000 1.046 167 V CA -0.987 61.356 62.300 0.071 0.000 0.970 167 V CB 0.865 32.725 31.823 0.063 0.000 1.001 167 V HN 0.694 nan 8.190 nan 0.000 0.476 168 P HA -0.136 nan 4.420 nan 0.000 0.216 168 P C 1.156 178.516 177.300 0.100 0.000 1.153 168 P CA 1.150 64.315 63.100 0.109 0.000 0.858 168 P CB 0.289 32.055 31.700 0.109 0.000 0.789 169 D N -1.059 119.390 120.400 0.082 0.000 2.123 169 D HA -0.144 4.633 4.640 0.228 0.000 0.196 169 D C 2.132 178.472 176.300 0.067 0.000 0.992 169 D CA 1.361 55.405 54.000 0.073 0.000 0.833 169 D CB -0.897 39.939 40.800 0.060 0.000 0.954 169 D HN 0.084 nan 8.370 nan 0.000 0.455 170 S N -0.100 115.638 115.700 0.063 0.000 2.374 170 S HA -0.180 4.427 4.470 0.228 0.000 0.227 170 S C 1.873 176.504 174.600 0.051 0.000 1.037 170 S CA 0.796 59.028 58.200 0.053 0.000 1.024 170 S CB -0.298 62.936 63.200 0.055 0.000 0.861 170 S HN 0.157 nan 8.310 nan 0.000 0.456 171 L N 1.694 122.959 121.223 0.070 0.000 2.017 171 L HA 0.062 4.539 4.340 0.228 0.000 0.208 171 L C 2.462 179.376 176.870 0.073 0.000 1.073 171 L CA 1.811 56.695 54.840 0.073 0.000 0.745 171 L CB -0.922 41.209 42.059 0.121 0.000 0.894 171 L HN 0.243 nan 8.230 nan 0.000 0.432 172 R N -0.402 120.161 120.500 0.106 0.000 2.103 172 R HA -0.209 4.268 4.340 0.228 0.000 0.234 172 R C 1.969 178.313 176.300 0.073 0.000 1.132 172 R CA 2.095 58.270 56.100 0.125 0.000 0.925 172 R CB -0.541 29.836 30.300 0.129 0.000 0.842 172 R HN 0.424 nan 8.270 nan 0.000 0.430 173 D N 0.286 120.717 120.400 0.051 0.000 2.126 173 D HA -0.214 4.563 4.640 0.228 0.000 0.190 173 D C 1.831 178.119 176.300 -0.020 0.000 1.001 173 D CA 1.421 55.433 54.000 0.019 0.000 0.841 173 D CB -0.295 40.516 40.800 0.018 0.000 0.949 173 D HN 0.269 nan 8.370 nan 0.000 0.446 174 I N -0.050 120.507 120.570 -0.021 0.000 2.264 174 I HA -0.241 4.065 4.170 0.228 0.000 0.248 174 I C 2.005 178.072 176.117 -0.082 0.000 1.111 174 I CA 0.840 62.109 61.300 -0.053 0.000 1.382 174 I CB -0.087 37.902 38.000 -0.018 0.000 1.060 174 I HN 0.010 nan 8.210 nan 0.000 0.418 175 L N -0.010 121.165 121.223 -0.079 0.000 2.554 175 L HA -0.019 4.458 4.340 0.228 0.000 0.226 175 L C 2.018 178.802 176.870 -0.143 0.000 1.137 175 L CA 0.351 55.080 54.840 -0.184 0.000 0.863 175 L CB -0.173 41.467 42.059 -0.698 0.000 0.985 175 L HN 0.169 nan 8.230 nan 0.000 0.451 176 S N -0.900 114.774 115.700 -0.044 0.000 2.720 176 S HA 0.026 4.633 4.470 0.228 0.000 0.222 176 S C 1.648 176.197 174.600 -0.085 0.000 0.958 176 S CA 0.006 58.228 58.200 0.036 0.000 0.943 176 S CB -0.269 62.960 63.200 0.047 0.000 0.779 176 S HN 0.401 nan 8.310 nan 0.000 0.526 177 R N 0.328 120.647 120.500 -0.302 0.000 2.240 177 R HA 0.154 4.631 4.340 0.228 0.000 0.203 177 R C -0.051 175.882 176.300 -0.613 0.000 1.011 177 R CA 0.495 56.231 56.100 -0.607 0.000 1.007 177 R CB 0.189 29.805 30.300 -1.140 0.000 0.911 177 R HN 0.448 nan 8.270 nan 0.000 0.468 178 W N 1.042 122.352 121.300 0.017 0.000 2.844 178 W HA 0.414 5.210 4.660 0.227 0.000 0.340 178 W C -0.167 176.483 176.519 0.219 0.000 1.093 178 W CA -1.099 56.302 57.345 0.093 0.000 1.212 178 W CB 0.925 30.437 29.460 0.088 0.000 1.422 178 W HN -0.305 nan 8.180 nan 0.000 0.515 179 K N 1.620 122.254 120.400 0.390 0.000 2.154 179 K HA 0.201 4.657 4.320 0.228 0.000 0.264 179 K C -1.582 175.195 176.600 0.295 0.000 1.008 179 K CA -1.678 54.778 56.287 0.282 0.000 0.937 179 K CB 0.747 33.340 32.500 0.155 0.000 1.002 179 K HN -0.016 nan 8.250 nan 0.000 0.469 180 P HA -0.137 nan 4.420 nan 0.000 0.221 180 P C 0.191 177.491 177.300 -0.000 0.000 1.145 180 P CA 1.285 64.334 63.100 -0.086 0.000 0.795 180 P CB 0.349 31.899 31.700 -0.250 0.000 0.775 181 E N -1.181 119.037 120.200 0.031 0.000 2.435 181 E HA -0.071 4.416 4.350 0.228 0.000 0.195 181 E C 1.340 177.964 176.600 0.040 0.000 1.029 181 E CA 0.459 56.872 56.400 0.021 0.000 0.865 181 E CB -0.879 28.832 29.700 0.019 0.000 0.833 181 E HN 0.207 nan 8.360 nan 0.000 0.510 182 D N 0.663 121.115 120.400 0.086 0.000 2.309 182 D HA -0.081 4.696 4.640 0.228 0.000 0.212 182 D C 1.657 177.966 176.300 0.015 0.000 0.968 182 D CA 1.039 55.091 54.000 0.087 0.000 0.882 182 D CB -0.077 40.839 40.800 0.192 0.000 0.918 182 D HN 0.253 nan 8.370 nan 0.000 0.503 183 A N 0.379 123.206 122.820 0.011 0.000 2.015 183 A HA -0.122 4.335 4.320 0.228 0.000 0.219 183 A C 1.831 179.383 177.584 -0.053 0.000 1.163 183 A CA 0.971 52.991 52.037 -0.028 0.000 0.646 183 A CB -0.143 18.863 19.000 0.010 0.000 0.806 183 A HN 0.047 nan 8.150 nan 0.000 0.448 184 K N 0.230 120.609 120.400 -0.034 0.000 2.546 184 K HA 0.094 4.550 4.320 0.228 0.000 0.198 184 K C 0.022 176.598 176.600 -0.040 0.000 1.028 184 K CA 0.155 56.417 56.287 -0.042 0.000 1.150 184 K CB -0.266 32.217 32.500 -0.028 0.000 0.876 184 K HN 0.571 nan 8.250 nan 0.000 0.508 185 N N -0.049 118.625 118.700 -0.043 0.000 2.653 185 N HA 0.123 5.000 4.740 0.228 0.000 0.261 185 N C -2.519 172.967 175.510 -0.041 0.000 1.216 185 N CA -1.584 51.448 53.050 -0.030 0.000 0.784 185 N CB 1.187 39.674 38.487 -0.001 0.000 1.327 185 N HN -0.235 nan 8.380 nan 0.000 0.539 186 P HA -0.203 nan 4.420 nan 0.000 0.217 186 P C 0.906 178.183 177.300 -0.037 0.000 1.148 186 P CA 1.352 64.413 63.100 -0.065 0.000 0.828 186 P CB 0.233 31.895 31.700 -0.064 0.000 0.783 187 Q N -0.396 119.395 119.800 -0.014 0.000 2.217 187 Q HA -0.195 4.282 4.340 0.228 0.000 0.209 187 Q C 1.629 177.649 176.000 0.034 0.000 0.988 187 Q CA 1.089 56.897 55.803 0.008 0.000 0.878 187 Q CB -0.640 28.106 28.738 0.014 0.000 0.909 187 Q HN 0.159 nan 8.270 nan 0.000 0.424 188 K N 0.728 121.152 120.400 0.041 0.000 2.459 188 K HA 0.009 4.465 4.320 0.228 0.000 0.193 188 K C 0.132 176.808 176.600 0.127 0.000 1.030 188 K CA 0.070 56.425 56.287 0.114 0.000 1.026 188 K CB -0.246 32.329 32.500 0.124 0.000 0.809 188 K HN 0.180 nan 8.250 nan 0.000 0.504 189 N N 1.741 120.445 118.700 0.008 0.000 2.693 189 N HA -0.161 4.715 4.740 0.228 0.000 0.250 189 N C -1.114 174.238 175.510 -0.263 0.000 1.033 189 N CA 1.133 54.149 53.050 -0.057 0.000 0.747 189 N CB -1.270 37.231 38.487 0.022 0.000 0.964 189 N HN 0.315 nan 8.380 nan 0.000 0.540 190 T N -2.084 112.101 114.554 -0.615 0.000 2.897 190 T HA 0.060 4.547 4.350 0.228 0.000 0.304 190 T C -2.084 172.176 174.700 -0.733 0.000 1.051 190 T CA -0.883 60.555 62.100 -1.105 0.000 1.132 190 T CB 0.314 68.807 68.868 -0.625 0.000 1.066 190 T HN 0.081 nan 8.240 nan 0.000 0.518 191 P HA 0.232 nan 4.420 nan 0.000 0.268 191 P C 0.516 177.669 177.300 -0.246 0.000 1.205 191 P CA -0.500 62.277 63.100 -0.538 0.000 0.771 191 P CB 0.575 31.864 31.700 -0.685 0.000 0.858 192 K N 2.344 122.632 120.400 -0.186 0.000 2.103 192 K HA 0.147 4.604 4.320 0.228 0.000 0.204 192 K C 0.430 177.261 176.600 0.384 0.000 1.052 192 K CA 1.049 57.403 56.287 0.111 0.000 0.945 192 K CB -0.276 32.255 32.500 0.053 0.000 0.722 192 K HN 0.661 nan 8.250 nan 0.000 0.443 193 F N -3.130 116.887 119.950 0.113 0.000 2.769 193 F HA 0.349 5.014 4.527 0.230 0.000 0.313 193 F C -1.885 173.924 175.800 0.015 0.000 1.146 193 F CA -1.559 56.532 58.000 0.151 0.000 0.934 193 F CB 0.832 39.932 39.000 0.167 0.000 1.283 193 F HN -0.274 nan 8.300 nan 0.000 0.443 194 L N 3.879 125.378 121.223 0.460 0.000 2.305 194 L HA 0.534 5.011 4.340 0.228 0.000 0.284 194 L C -1.654 175.447 176.870 0.385 0.000 1.013 194 L CA -0.987 54.023 54.840 0.284 0.000 0.819 194 L CB 1.356 43.530 42.059 0.191 0.000 1.227 194 L HN 0.844 nan 8.230 nan 0.000 0.417 195 Y N 4.800 125.282 120.300 0.303 0.000 2.367 195 Y HA 0.466 5.152 4.550 0.228 0.000 0.342 195 Y C -0.293 175.685 175.900 0.129 0.000 0.979 195 Y CA -0.035 58.196 58.100 0.218 0.000 1.161 195 Y CB 1.319 39.957 38.460 0.297 0.000 1.155 195 Y HN 0.609 nan 8.280 nan 0.000 0.503 196 T N 5.418 119.713 114.554 -0.431 0.000 2.893 196 T HA 0.531 5.017 4.350 0.228 0.000 0.293 196 T C -1.716 172.696 174.700 -0.480 0.000 1.027 196 T CA -0.661 61.232 62.100 -0.345 0.000 0.988 196 T CB 0.925 69.769 68.868 -0.040 0.000 1.043 196 T HN 0.400 nan 8.240 nan 0.000 0.461 197 V N 7.936 127.679 119.914 -0.285 0.000 2.277 197 V HA 0.350 4.607 4.120 0.228 0.000 0.269 197 V C -1.610 174.479 176.094 -0.009 0.000 1.036 197 V CA -1.472 60.756 62.300 -0.120 0.000 0.821 197 V CB 1.149 32.963 31.823 -0.015 0.000 1.052 197 V HN 0.758 nan 8.190 nan 0.000 0.462 198 P HA 0.119 nan 4.420 nan 0.000 0.255 198 P C 0.053 177.367 177.300 0.022 0.000 1.248 198 P CA 0.328 63.457 63.100 0.049 0.000 0.807 198 P CB 0.374 32.128 31.700 0.090 0.000 1.150 199 N N 0.431 119.154 118.700 0.038 0.000 2.504 199 N HA 0.318 5.195 4.740 0.228 0.000 0.280 199 N C 0.143 175.650 175.510 -0.005 0.000 1.052 199 N CA -0.224 52.833 53.050 0.012 0.000 0.887 199 N CB 1.496 40.004 38.487 0.034 0.000 1.323 199 N HN -0.023 nan 8.380 nan 0.000 0.509 200 G N 2.247 110.990 108.800 -0.095 0.000 2.372 200 G HA2 -0.318 3.778 3.960 0.228 0.000 0.297 200 G HA3 -0.318 3.778 3.960 0.228 0.000 0.297 200 G C 0.237 175.011 174.900 -0.211 0.000 1.005 200 G CA 0.059 45.043 45.100 -0.194 0.000 1.173 200 G HN 0.797 nan 8.290 nan 0.000 0.511 201 N N 0.003 118.648 118.700 -0.092 0.000 2.217 201 N HA -0.091 4.786 4.740 0.228 0.000 0.268 201 N C 0.389 175.817 175.510 -0.137 0.000 1.290 201 N CA 0.035 53.043 53.050 -0.070 0.000 0.831 201 N CB 0.159 38.582 38.487 -0.108 0.000 1.057 201 N HN 0.383 nan 8.380 nan 0.000 0.481 202 N N 5.071 123.773 118.700 0.003 0.000 2.421 202 N HA 0.137 5.013 4.740 0.228 0.000 0.260 202 N C -2.014 173.355 175.510 -0.235 0.000 1.173 202 N CA -1.907 51.105 53.050 -0.063 0.000 0.960 202 N CB 0.806 39.412 38.487 0.199 0.000 1.273 202 N HN 0.488 nan 8.380 nan 0.000 0.497 203 P HA 0.108 nan 4.420 nan 0.000 0.295 203 P C 0.885 177.701 177.300 -0.806 0.000 1.274 203 P CA 0.232 62.717 63.100 -1.026 0.000 0.943 203 P CB 0.380 30.894 31.700 -1.977 0.000 1.462 204 T N -3.284 110.749 114.554 -0.867 0.000 2.904 204 T HA 0.126 4.613 4.350 0.228 0.000 0.267 204 T C 1.760 176.413 174.700 -0.078 0.000 1.059 204 T CA 1.684 63.369 62.100 -0.690 0.000 1.137 204 T CB -1.316 67.211 68.868 -0.568 0.000 0.879 204 T HN 0.170 nan 8.240 nan 0.000 0.467 205 G N 1.394 110.142 108.800 -0.085 0.000 2.179 205 G HA2 -0.270 3.826 3.960 0.228 0.000 0.260 205 G HA3 -0.270 3.826 3.960 0.228 0.000 0.260 205 G C -0.058 174.874 174.900 0.052 0.000 0.977 205 G CA 0.134 45.251 45.100 0.028 0.000 0.641 205 G HN 0.744 nan 8.290 nan 0.000 0.533 206 N N 0.189 118.900 118.700 0.020 0.000 2.467 206 N HA 0.568 5.444 4.740 0.228 0.000 0.262 206 N C -0.069 175.430 175.510 -0.018 0.000 1.234 206 N CA 0.413 53.471 53.050 0.013 0.000 0.952 206 N CB 0.794 39.274 38.487 -0.011 0.000 1.158 206 N HN 0.192 nan 8.380 nan 0.000 0.463 207 S N 0.465 116.156 115.700 -0.015 0.000 2.568 207 S HA 0.384 4.991 4.470 0.228 0.000 0.293 207 S C -0.365 174.226 174.600 -0.015 0.000 1.089 207 S CA -0.748 57.440 58.200 -0.021 0.000 0.945 207 S CB 1.231 64.410 63.200 -0.035 0.000 1.077 207 S HN 0.289 nan 8.310 nan 0.000 0.485 208 L N 2.294 123.511 121.223 -0.011 0.000 2.473 208 L HA 0.278 4.754 4.340 0.228 0.000 0.268 208 L C 1.019 177.869 176.870 -0.033 0.000 1.215 208 L CA -0.069 54.764 54.840 -0.010 0.000 0.823 208 L CB 0.777 42.834 42.059 -0.004 0.000 1.099 208 L HN 0.825 nan 8.230 nan 0.000 0.483 209 T N -1.797 112.740 114.554 -0.028 0.000 2.897 209 T HA 0.131 4.617 4.350 0.228 0.000 0.278 209 T C 0.920 175.583 174.700 -0.062 0.000 0.981 209 T CA -0.299 61.782 62.100 -0.033 0.000 0.973 209 T CB 1.607 70.467 68.868 -0.013 0.000 1.092 209 T HN 0.555 nan 8.240 nan 0.000 0.543 210 S N -0.031 115.639 115.700 -0.051 0.000 2.345 210 S HA -0.128 4.479 4.470 0.228 0.000 0.220 210 S C 1.837 176.409 174.600 -0.047 0.000 1.031 210 S CA 1.636 59.797 58.200 -0.064 0.000 0.996 210 S CB -0.819 62.361 63.200 -0.034 0.000 0.882 210 S HN 0.784 nan 8.310 nan 0.000 0.445 211 E N 1.140 121.330 120.200 -0.016 0.000 2.097 211 E HA -0.122 4.365 4.350 0.228 0.000 0.196 211 E C 2.356 178.971 176.600 0.025 0.000 1.000 211 E CA 1.268 57.673 56.400 0.007 0.000 0.804 211 E CB -0.213 29.495 29.700 0.014 0.000 0.740 211 E HN 0.445 nan 8.360 nan 0.000 0.454 212 R N 0.650 121.163 120.500 0.022 0.000 2.073 212 R HA -0.076 4.401 4.340 0.228 0.000 0.234 212 R C 2.250 178.601 176.300 0.085 0.000 1.134 212 R CA 1.395 57.529 56.100 0.057 0.000 0.952 212 R CB -0.224 30.107 30.300 0.053 0.000 0.850 212 R HN 0.109 nan 8.270 nan 0.000 0.433 213 K N 0.810 121.197 120.400 -0.023 0.000 2.063 213 K HA -0.173 4.284 4.320 0.228 0.000 0.208 213 K C 2.067 178.730 176.600 0.105 0.000 1.048 213 K CA 1.540 57.759 56.287 -0.113 0.000 0.928 213 K CB -0.045 32.099 32.500 -0.593 0.000 0.713 213 K HN 0.119 nan 8.250 nan 0.000 0.442 214 K N 0.894 121.325 120.400 0.052 0.000 2.063 214 K HA -0.176 4.281 4.320 0.228 0.000 0.208 214 K C 2.071 178.787 176.600 0.193 0.000 1.048 214 K CA 1.584 57.933 56.287 0.104 0.000 0.928 214 K CB -0.023 32.505 32.500 0.046 0.000 0.713 214 K HN 0.226 nan 8.250 nan 0.000 0.442 215 E N 0.687 120.983 120.200 0.161 0.000 2.028 215 E HA -0.176 4.310 4.350 0.228 0.000 0.191 215 E C 2.119 178.844 176.600 0.208 0.000 0.988 215 E CA 1.056 57.554 56.400 0.162 0.000 0.799 215 E CB -0.163 29.616 29.700 0.131 0.000 0.755 215 E HN 0.202 nan 8.360 nan 0.000 0.447 216 I N 0.537 121.265 120.570 0.263 0.000 2.151 216 I HA -0.346 3.961 4.170 0.228 0.000 0.243 216 I C 2.353 178.617 176.117 0.246 0.000 1.080 216 I CA 1.399 62.877 61.300 0.297 0.000 1.339 216 I CB -0.294 37.947 38.000 0.402 0.000 1.039 216 I HN 0.146 nan 8.210 nan 0.000 0.409 217 Y N 1.443 121.879 120.300 0.226 0.000 2.151 217 Y HA -0.329 4.357 4.550 0.227 0.000 0.284 217 Y C 2.547 178.457 175.900 0.017 0.000 1.166 217 Y CA 1.865 60.039 58.100 0.124 0.000 1.163 217 Y CB -0.101 38.462 38.460 0.171 0.000 0.974 217 Y HN 0.194 nan 8.280 nan 0.000 0.511 218 E N -0.125 120.142 120.200 0.112 0.000 2.046 218 E HA -0.186 4.301 4.350 0.228 0.000 0.190 218 E C 2.369 178.946 176.600 -0.039 0.000 0.982 218 E CA 1.190 57.611 56.400 0.035 0.000 0.800 218 E CB -0.479 29.279 29.700 0.096 0.000 0.756 218 E HN 0.503 nan 8.360 nan 0.000 0.449 219 L N 0.656 121.908 121.223 0.049 0.000 2.043 219 L HA -0.231 4.246 4.340 0.228 0.000 0.212 219 L C 2.526 179.356 176.870 -0.065 0.000 1.075 219 L CA 1.378 56.317 54.840 0.166 0.000 0.752 219 L CB -0.415 41.835 42.059 0.317 0.000 0.891 219 L HN 0.091 nan 8.230 nan 0.000 0.432 220 A N -0.507 122.023 122.820 -0.483 0.000 1.969 220 A HA -0.214 4.243 4.320 0.228 0.000 0.218 220 A C 2.399 179.462 177.584 -0.868 0.000 1.169 220 A CA 1.494 52.709 52.037 -1.371 0.000 0.635 220 A CB -0.495 17.799 19.000 -1.177 0.000 0.810 220 A HN 0.369 nan 8.150 nan 0.000 0.445 221 R N 0.002 120.161 120.500 -0.569 0.000 2.062 221 R HA -0.138 4.339 4.340 0.228 0.000 0.231 221 R C 2.305 178.459 176.300 -0.243 0.000 1.136 221 R CA 1.860 57.740 56.100 -0.367 0.000 0.948 221 R CB -0.316 29.836 30.300 -0.246 0.000 0.845 221 R HN 0.501 nan 8.270 nan 0.000 0.430 222 K N -0.416 119.859 120.400 -0.208 0.000 2.026 222 K HA -0.181 4.276 4.320 0.228 0.000 0.208 222 K C 0.904 177.319 176.600 -0.308 0.000 1.048 222 K CA 1.600 57.736 56.287 -0.252 0.000 0.929 222 K CB -0.095 32.235 32.500 -0.282 0.000 0.713 222 K HN 0.267 nan 8.250 nan 0.000 0.439 223 Y N 1.195 121.496 120.300 0.002 0.000 2.583 223 Y HA 0.097 4.784 4.550 0.227 0.000 0.294 223 Y C -0.317 175.630 175.900 0.079 0.000 1.170 223 Y CA -0.151 58.020 58.100 0.118 0.000 1.265 223 Y CB -0.292 38.380 38.460 0.354 0.000 1.119 223 Y HN 0.257 nan 8.280 nan 0.000 0.522 224 D N 1.187 121.559 120.400 -0.046 0.000 2.779 224 D HA -0.254 4.522 4.640 0.228 0.000 0.223 224 D C -0.595 175.798 176.300 0.154 0.000 1.227 224 D CA 0.681 54.659 54.000 -0.037 0.000 0.653 224 D CB -1.122 39.685 40.800 0.013 0.000 0.973 224 D HN 0.392 nan 8.370 nan 0.000 0.402 225 F N -1.560 118.443 119.950 0.087 0.000 2.557 225 F HA 0.688 5.351 4.527 0.226 0.000 0.336 225 F C -0.108 175.698 175.800 0.011 0.000 1.058 225 F CA -1.791 56.296 58.000 0.144 0.000 0.988 225 F CB 0.479 39.528 39.000 0.081 0.000 1.275 225 F HN -0.210 nan 8.300 nan 0.000 0.488 226 L N 2.232 123.569 121.223 0.189 0.000 2.395 226 L HA 0.334 4.810 4.340 0.228 0.000 0.269 226 L C 0.021 176.971 176.870 0.133 0.000 1.133 226 L CA -0.720 54.090 54.840 -0.049 0.000 0.812 226 L CB 0.741 42.684 42.059 -0.192 0.000 1.125 226 L HN 0.529 nan 8.230 nan 0.000 0.452 227 I N 4.615 125.149 120.570 -0.061 0.000 2.304 227 I HA 0.257 4.564 4.170 0.228 0.000 0.291 227 I C -0.100 175.936 176.117 -0.136 0.000 1.018 227 I CA -0.341 60.887 61.300 -0.121 0.000 1.260 227 I CB 0.752 38.521 38.000 -0.387 0.000 1.390 227 I HN 0.381 nan 8.210 nan 0.000 0.475 228 I N 6.318 126.837 120.570 -0.086 0.000 2.297 228 I HA 0.168 4.474 4.170 0.228 0.000 0.291 228 I C 0.525 176.544 176.117 -0.163 0.000 1.033 228 I CA -0.228 60.995 61.300 -0.128 0.000 1.253 228 I CB 0.706 38.628 38.000 -0.131 0.000 1.396 228 I HN 0.618 nan 8.210 nan 0.000 0.476 229 E N 6.017 126.124 120.200 -0.156 0.000 1.993 229 E HA 0.063 4.549 4.350 0.228 0.000 0.271 229 E C -0.805 175.706 176.600 -0.147 0.000 1.008 229 E CA -0.580 55.749 56.400 -0.118 0.000 0.814 229 E CB 0.549 30.249 29.700 0.001 0.000 1.098 229 E HN 0.422 nan 8.360 nan 0.000 0.407 230 D N 3.804 124.070 120.400 -0.225 0.000 2.365 230 D HA 0.070 4.846 4.640 0.228 0.000 0.237 230 D C -0.872 175.350 176.300 -0.130 0.000 1.190 230 D CA -0.225 53.682 54.000 -0.155 0.000 0.867 230 D CB 0.859 41.607 40.800 -0.087 0.000 1.050 230 D HN 0.273 nan 8.370 nan 0.000 0.491 231 D N 4.469 124.791 120.400 -0.131 0.000 3.010 231 D HA 0.168 4.944 4.640 0.228 0.000 0.347 231 D C -1.669 174.578 176.300 -0.087 0.000 1.340 231 D CA -1.512 52.436 54.000 -0.087 0.000 0.858 231 D CB 1.039 41.766 40.800 -0.122 0.000 1.111 231 D HN 0.290 nan 8.370 nan 0.000 0.482 232 P HA -0.119 nan 4.420 nan 0.000 0.225 232 P C 0.350 177.481 177.300 -0.282 0.000 1.148 232 P CA 0.711 63.618 63.100 -0.322 0.000 0.779 232 P CB 0.106 31.442 31.700 -0.606 0.000 0.780 233 Y N -2.927 117.382 120.300 0.016 0.000 2.696 233 Y HA 0.200 4.821 4.550 0.119 0.000 0.260 233 Y C 1.898 177.784 175.900 -0.023 0.000 1.165 233 Y CA -0.953 57.135 58.100 -0.020 0.000 1.189 233 Y CB -0.789 37.615 38.460 -0.093 0.000 1.180 233 Y HN -0.150 nan 8.280 nan 0.000 0.538 234 Y N -0.387 119.893 120.300 -0.033 0.000 2.293 234 Y HA -0.154 4.530 4.550 0.223 0.000 0.291 234 Y C 0.881 176.615 175.900 -0.277 0.000 1.137 234 Y CA 1.531 59.506 58.100 -0.209 0.000 1.202 234 Y CB -0.315 37.928 38.460 -0.361 0.000 0.990 234 Y HN 0.118 nan 8.280 nan 0.000 0.537 235 F N -0.806 119.171 119.950 0.046 0.000 2.692 235 F HA 0.176 4.770 4.527 0.112 0.000 0.303 235 F C 0.507 176.280 175.800 -0.044 0.000 1.114 235 F CA 0.024 57.995 58.000 -0.048 0.000 1.361 235 F CB 0.116 39.187 39.000 0.118 0.000 1.063 235 F HN -0.032 nan 8.300 nan 0.000 0.550 236 L N 0.155 121.404 121.223 0.043 0.000 2.965 236 L HA 0.225 4.701 4.340 0.228 0.000 0.254 236 L C 0.365 177.023 176.870 -0.354 0.000 1.220 236 L CA 0.104 54.923 54.840 -0.034 0.000 1.023 236 L CB -0.358 41.690 42.059 -0.019 0.000 1.355 236 L HN 0.027 nan 8.230 nan 0.000 0.545 237 Q N -0.626 118.976 119.800 -0.330 0.000 2.286 237 Q HA 0.111 4.588 4.340 0.228 0.000 0.267 237 Q C 0.532 176.371 176.000 -0.268 0.000 1.028 237 Q CA 0.213 55.762 55.803 -0.423 0.000 0.901 237 Q CB 0.540 29.096 28.738 -0.303 0.000 1.183 237 Q HN 0.348 nan 8.270 nan 0.000 0.392 238 F N -0.025 119.936 119.950 0.019 0.000 2.456 238 F HA -0.031 4.641 4.527 0.241 0.000 0.298 238 F C 1.255 177.065 175.800 0.016 0.000 1.104 238 F CA -0.344 57.670 58.000 0.023 0.000 1.435 238 F CB 0.147 39.160 39.000 0.020 0.000 1.078 238 F HN 0.481 nan 8.300 nan 0.000 0.546 239 N N 1.501 120.281 118.700 0.134 0.000 2.520 239 N HA 0.012 4.889 4.740 0.228 0.000 0.273 239 N C 0.967 176.530 175.510 0.089 0.000 1.155 239 N CA 0.121 53.230 53.050 0.097 0.000 0.967 239 N CB 0.882 39.407 38.487 0.064 0.000 1.092 239 N HN -0.050 nan 8.380 nan 0.000 0.457 240 K N 2.150 122.630 120.400 0.134 0.000 2.031 240 K HA 0.002 4.459 4.320 0.228 0.000 0.205 240 K C 0.139 176.841 176.600 0.170 0.000 1.049 240 K CA 0.762 57.135 56.287 0.144 0.000 0.939 240 K CB -0.188 32.414 32.500 0.170 0.000 0.717 240 K HN 0.438 nan 8.250 nan 0.000 0.438 241 F N 2.756 122.694 119.950 -0.021 0.000 2.506 241 F HA 0.068 4.730 4.527 0.224 0.000 0.369 241 F C 0.954 176.726 175.800 -0.046 0.000 1.114 241 F CA 0.027 58.012 58.000 -0.026 0.000 1.121 241 F CB -0.032 38.957 39.000 -0.017 0.000 1.104 241 F HN -0.182 nan 8.300 nan 0.000 0.564 242 R N 2.306 122.813 120.500 0.012 0.000 2.442 242 R HA 0.270 4.747 4.340 0.228 0.000 0.291 242 R C -0.573 175.742 176.300 0.026 0.000 1.069 242 R CA -0.424 55.644 56.100 -0.053 0.000 1.022 242 R CB 0.650 30.855 30.300 -0.160 0.000 0.976 242 R HN 0.332 nan 8.270 nan 0.000 0.443 243 V N 6.791 126.717 119.914 0.020 0.000 2.655 243 V HA 0.053 4.310 4.120 0.228 0.000 0.300 243 V C -1.788 174.333 176.094 0.045 0.000 1.044 243 V CA -1.185 61.131 62.300 0.026 0.000 1.095 243 V CB 0.663 32.477 31.823 -0.015 0.000 0.952 243 V HN 0.740 nan 8.190 nan 0.000 0.485 244 P HA 0.179 nan 4.420 nan 0.000 0.269 244 P C 0.121 177.350 177.300 -0.119 0.000 1.209 244 P CA -0.084 63.006 63.100 -0.016 0.000 0.776 244 P CB 0.263 31.930 31.700 -0.054 0.000 0.876 245 T N -1.075 113.388 114.554 -0.151 0.000 2.788 245 T HA 0.268 4.755 4.350 0.228 0.000 0.280 245 T C 0.980 175.479 174.700 -0.335 0.000 0.984 245 T CA -0.172 61.743 62.100 -0.309 0.000 0.972 245 T CB 0.040 68.578 68.868 -0.550 0.000 1.039 245 T HN 0.117 nan 8.240 nan 0.000 0.530 246 F N -0.172 119.673 119.950 -0.175 0.000 2.146 246 F HA 0.056 4.717 4.527 0.224 0.000 0.298 246 F C 2.330 178.010 175.800 -0.199 0.000 1.096 246 F CA 0.562 58.482 58.000 -0.133 0.000 1.275 246 F CB -0.683 38.305 39.000 -0.020 0.000 1.008 246 F HN 0.373 nan 8.300 nan 0.000 0.480 247 L N 0.735 121.916 121.223 -0.070 0.000 2.030 247 L HA -0.338 4.138 4.340 0.228 0.000 0.222 247 L C 2.610 179.383 176.870 -0.162 0.000 1.082 247 L CA 2.376 57.119 54.840 -0.162 0.000 0.785 247 L CB -1.224 40.651 42.059 -0.308 0.000 0.895 247 L HN 0.272 nan 8.230 nan 0.000 0.439 248 S N -1.277 114.312 115.700 -0.184 0.000 2.507 248 S HA -0.158 4.449 4.470 0.228 0.000 0.235 248 S C 1.454 175.959 174.600 -0.159 0.000 0.988 248 S CA 1.026 59.157 58.200 -0.115 0.000 0.944 248 S CB -0.670 62.501 63.200 -0.048 0.000 0.762 248 S HN 0.681 nan 8.310 nan 0.000 0.526 249 M N -0.447 119.008 119.600 -0.243 0.000 2.496 249 M HA 0.453 5.070 4.480 0.228 0.000 0.330 249 M C -0.271 175.672 176.300 -0.594 0.000 1.133 249 M CA -0.285 54.788 55.300 -0.378 0.000 0.964 249 M CB -0.013 32.340 32.600 -0.410 0.000 1.401 249 M HN -0.089 nan 8.290 nan 0.000 0.520 250 D N 2.267 122.472 120.400 -0.324 0.000 2.713 250 D HA 0.096 4.873 4.640 0.228 0.000 0.229 250 D C 1.096 177.396 176.300 0.001 0.000 1.136 250 D CA -0.067 53.858 54.000 -0.124 0.000 1.010 250 D CB 0.770 41.572 40.800 0.004 0.000 1.084 250 D HN 0.167 nan 8.370 nan 0.000 0.495 251 V N 2.109 122.045 119.914 0.037 0.000 2.759 251 V HA -0.125 4.131 4.120 0.228 0.000 0.256 251 V C 0.995 177.268 176.094 0.298 0.000 1.080 251 V CA 1.627 64.025 62.300 0.164 0.000 1.101 251 V CB 0.022 31.929 31.823 0.141 0.000 0.698 251 V HN 0.304 nan 8.190 nan 0.000 0.477 252 D N 0.530 121.114 120.400 0.306 0.000 2.271 252 D HA 0.163 4.940 4.640 0.228 0.000 0.206 252 D C 1.702 178.141 176.300 0.232 0.000 0.967 252 D CA 1.160 55.301 54.000 0.235 0.000 0.867 252 D CB 0.043 40.920 40.800 0.128 0.000 0.960 252 D HN 0.643 nan 8.370 nan 0.000 0.509 253 G N 1.918 110.848 108.800 0.216 0.000 2.149 253 G HA2 -0.327 3.770 3.960 0.228 0.000 0.235 253 G HA3 -0.327 3.770 3.960 0.228 0.000 0.235 253 G C 0.741 175.727 174.900 0.144 0.000 1.018 253 G CA 0.359 45.578 45.100 0.198 0.000 0.728 253 G HN 0.487 nan 8.290 nan 0.000 0.508 254 R N -1.067 119.473 120.500 0.067 0.000 2.427 254 R HA 0.507 4.983 4.340 0.228 0.000 0.262 254 R C 0.077 176.342 176.300 -0.058 0.000 0.943 254 R CA -0.149 55.910 56.100 -0.070 0.000 1.081 254 R CB 0.564 30.750 30.300 -0.190 0.000 1.166 254 R HN 0.295 nan 8.270 nan 0.000 0.534 255 V N 2.184 122.108 119.914 0.016 0.000 2.417 255 V HA 0.395 4.652 4.120 0.228 0.000 0.291 255 V C -0.233 175.831 176.094 -0.049 0.000 1.024 255 V CA -0.769 61.526 62.300 -0.009 0.000 0.861 255 V CB 1.910 33.771 31.823 0.064 0.000 0.985 255 V HN 0.198 nan 8.190 nan 0.000 0.436 256 I N 5.115 125.631 120.570 -0.090 0.000 2.359 256 I HA 0.466 4.773 4.170 0.228 0.000 0.284 256 I C 0.331 176.377 176.117 -0.118 0.000 1.018 256 I CA -0.345 60.891 61.300 -0.107 0.000 1.173 256 I CB 1.056 38.973 38.000 -0.138 0.000 1.326 256 I HN 0.584 nan 8.210 nan 0.000 0.462 257 R N 5.479 125.911 120.500 -0.113 0.000 2.390 257 R HA 0.709 5.186 4.340 0.228 0.000 0.291 257 R C -0.634 175.567 176.300 -0.164 0.000 1.070 257 R CA -0.269 55.744 56.100 -0.145 0.000 1.014 257 R CB 1.053 31.251 30.300 -0.170 0.000 1.007 257 R HN 0.692 nan 8.270 nan 0.000 0.466 258 A N 4.376 127.080 122.820 -0.195 0.000 2.303 258 A HA 0.374 4.830 4.320 0.228 0.000 0.320 258 A C -1.198 176.186 177.584 -0.333 0.000 1.192 258 A CA -0.776 51.115 52.037 -0.243 0.000 0.821 258 A CB 1.078 19.965 19.000 -0.188 0.000 1.188 258 A HN 0.823 nan 8.150 nan 0.000 0.492 259 D N 0.893 120.954 120.400 -0.564 0.000 2.342 259 D HA 0.542 5.319 4.640 0.228 0.000 0.243 259 D C -0.817 175.058 176.300 -0.708 0.000 1.019 259 D CA 0.068 53.653 54.000 -0.692 0.000 0.864 259 D CB 2.231 42.271 40.800 -1.266 0.000 1.315 259 D HN 0.429 nan 8.370 nan 0.000 0.468 260 S N 0.920 116.395 115.700 -0.375 0.000 2.536 260 S HA 0.436 5.042 4.470 0.228 0.000 0.298 260 S C -0.447 174.151 174.600 -0.003 0.000 1.083 260 S CA -0.519 57.548 58.200 -0.222 0.000 0.995 260 S CB 0.615 63.731 63.200 -0.139 0.000 1.058 260 S HN 0.252 nan 8.310 nan 0.000 0.488 261 F N 2.012 122.021 119.950 0.099 0.000 2.647 261 F HA 0.441 5.081 4.527 0.188 0.000 0.300 261 F C 1.324 177.195 175.800 0.119 0.000 1.106 261 F CA -0.504 57.592 58.000 0.160 0.000 1.313 261 F CB -0.269 38.836 39.000 0.174 0.000 1.007 261 F HN 0.359 nan 8.300 nan 0.000 0.536 265 I N 1.048 121.745 120.570 0.211 0.000 3.345 265 I HA 0.319 4.625 4.170 0.228 0.000 0.258 265 I C 0.521 176.678 176.117 0.066 0.000 1.134 265 I CA 0.822 62.158 61.300 0.060 0.000 1.457 265 I CB 1.174 39.082 38.000 -0.152 0.000 1.425 265 I HN 0.326 nan 8.210 nan 0.000 0.461 266 S N -1.052 114.720 115.700 0.120 0.000 2.582 266 S HA 0.155 4.761 4.470 0.228 0.000 0.287 266 S C 0.484 175.157 174.600 0.122 0.000 1.146 266 S CA -0.075 58.185 58.200 0.099 0.000 0.941 266 S CB 1.018 64.253 63.200 0.059 0.000 1.115 266 S HN 0.259 nan 8.310 nan 0.000 0.458 267 S N 3.629 119.390 115.700 0.101 0.000 2.414 267 S HA 0.114 4.721 4.470 0.228 0.000 0.227 267 S C 2.025 176.666 174.600 0.069 0.000 1.022 267 S CA 1.161 59.413 58.200 0.088 0.000 0.958 267 S CB -0.978 62.272 63.200 0.083 0.000 0.797 267 S HN 1.152 nan 8.310 nan 0.000 0.493 268 G N 2.077 110.911 108.800 0.057 0.000 2.418 268 G HA2 -0.030 4.066 3.960 0.228 0.000 0.217 268 G HA3 -0.030 4.066 3.960 0.228 0.000 0.217 268 G C 1.384 176.308 174.900 0.039 0.000 1.158 268 G CA 0.787 45.910 45.100 0.039 0.000 0.771 268 G HN 0.515 nan 8.290 nan 0.000 0.545 269 L N -0.389 120.867 121.223 0.054 0.000 2.551 269 L HA 0.090 4.567 4.340 0.228 0.000 0.228 269 L C 0.596 177.507 176.870 0.068 0.000 1.153 269 L CA -0.230 54.646 54.840 0.060 0.000 0.851 269 L CB -0.146 41.960 42.059 0.078 0.000 0.959 269 L HN 0.091 nan 8.230 nan 0.000 0.451 270 R N 1.220 121.760 120.500 0.067 0.000 3.059 270 R HA -0.148 4.329 4.340 0.228 0.000 0.251 270 R C -0.960 175.387 176.300 0.078 0.000 0.886 270 R CA 0.737 56.873 56.100 0.059 0.000 0.634 270 R CB -2.250 28.071 30.300 0.034 0.000 1.282 270 R HN 0.225 nan 8.270 nan 0.000 0.487 271 I N -0.318 120.318 120.570 0.111 0.000 2.571 271 I HA 0.567 4.874 4.170 0.228 0.000 0.286 271 I C 0.849 177.045 176.117 0.131 0.000 1.134 271 I CA -0.323 61.064 61.300 0.144 0.000 1.052 271 I CB 2.236 40.360 38.000 0.206 0.000 1.237 271 I HN 0.404 nan 8.210 nan 0.000 0.435 272 G N 5.408 114.250 108.800 0.070 0.000 2.687 272 G HA2 0.858 4.955 3.960 0.228 0.000 0.291 272 G HA3 0.858 4.955 3.960 0.228 0.000 0.291 272 G C -1.725 173.226 174.900 0.085 0.000 1.420 272 G CA -0.542 44.521 45.100 -0.061 0.000 0.796 272 G HN 0.459 nan 8.290 nan 0.000 0.485 273 F N -1.925 117.914 119.950 -0.185 0.000 2.662 273 F HA 0.846 5.512 4.527 0.232 0.000 0.312 273 F C -1.661 174.073 175.800 -0.109 0.000 1.113 273 F CA -1.661 56.261 58.000 -0.130 0.000 0.951 273 F CB 2.001 40.923 39.000 -0.130 0.000 1.344 273 F HN 0.491 nan 8.300 nan 0.000 0.462 274 L N 1.852 123.154 121.223 0.132 0.000 2.343 274 L HA 0.692 5.169 4.340 0.228 0.000 0.278 274 L C -0.850 176.054 176.870 0.057 0.000 0.996 274 L CA -0.140 54.705 54.840 0.008 0.000 0.831 274 L CB 1.663 43.701 42.059 -0.036 0.000 1.232 274 L HN 0.839 nan 8.230 nan 0.000 0.413 275 T N 3.761 118.332 114.554 0.028 0.000 2.779 275 T HA 0.914 5.400 4.350 0.228 0.000 0.280 275 T C 0.045 174.725 174.700 -0.034 0.000 0.987 275 T CA -0.226 61.889 62.100 0.024 0.000 0.966 275 T CB 1.423 70.331 68.868 0.066 0.000 0.933 275 T HN 0.915 nan 8.240 nan 0.000 0.442 276 G N 3.402 112.179 108.800 -0.038 0.000 2.428 276 G HA2 0.562 4.659 3.960 0.228 0.000 0.304 276 G HA3 0.562 4.659 3.960 0.228 0.000 0.304 276 G C -3.430 171.436 174.900 -0.057 0.000 1.303 276 G CA -0.992 44.076 45.100 -0.052 0.000 0.825 276 G HN 0.420 nan 8.290 nan 0.000 0.484 277 P HA 0.242 nan 4.420 nan 0.000 0.272 277 P C 0.520 177.721 177.300 -0.166 0.000 1.223 277 P CA -0.235 62.809 63.100 -0.094 0.000 0.784 277 P CB 1.412 33.055 31.700 -0.095 0.000 0.923 278 K N 5.273 125.588 120.400 -0.142 0.000 2.009 278 K HA -0.125 4.332 4.320 0.228 0.000 0.210 278 K C -1.035 175.468 176.600 -0.162 0.000 1.049 278 K CA 2.392 58.612 56.287 -0.110 0.000 0.929 278 K CB -2.051 30.415 32.500 -0.057 0.000 0.714 278 K HN 0.285 nan 8.250 nan 0.000 0.440 279 P HA -0.132 nan 4.420 nan 0.000 0.218 279 P C 1.125 178.290 177.300 -0.226 0.000 1.148 279 P CA 1.204 64.147 63.100 -0.261 0.000 0.822 279 P CB 0.006 31.468 31.700 -0.397 0.000 0.784 280 L N -1.423 119.625 121.223 -0.292 0.000 2.068 280 L HA -0.098 4.379 4.340 0.228 0.000 0.204 280 L C 2.329 179.144 176.870 -0.091 0.000 1.076 280 L CA 1.167 55.914 54.840 -0.155 0.000 0.753 280 L CB -0.922 41.047 42.059 -0.150 0.000 0.910 280 L HN -0.072 nan 8.230 nan 0.000 0.439 281 I N 0.507 121.019 120.570 -0.096 0.000 2.127 281 I HA -0.336 3.970 4.170 0.228 0.000 0.241 281 I C 2.551 178.646 176.117 -0.037 0.000 1.075 281 I CA 1.547 62.812 61.300 -0.058 0.000 1.334 281 I CB -1.193 36.776 38.000 -0.052 0.000 1.040 281 I HN 0.458 nan 8.210 nan 0.000 0.405 282 E N 0.795 120.969 120.200 -0.044 0.000 2.169 282 E HA -0.291 4.196 4.350 0.228 0.000 0.202 282 E C 2.163 178.759 176.600 -0.007 0.000 1.016 282 E CA 1.592 57.977 56.400 -0.025 0.000 0.817 282 E CB 0.084 29.763 29.700 -0.035 0.000 0.736 282 E HN 0.273 nan 8.360 nan 0.000 0.462 283 R N 0.033 120.528 120.500 -0.009 0.000 2.115 283 R HA -0.085 4.391 4.340 0.228 0.000 0.230 283 R C 2.498 178.826 176.300 0.046 0.000 1.111 283 R CA 1.259 57.369 56.100 0.017 0.000 0.976 283 R CB -1.202 29.110 30.300 0.020 0.000 0.870 283 R HN 0.403 nan 8.270 nan 0.000 0.445 284 V N -1.991 117.940 119.914 0.029 0.000 2.488 284 V HA -0.018 4.238 4.120 0.228 0.000 0.246 284 V C 2.163 178.285 176.094 0.046 0.000 1.046 284 V CA 0.979 63.306 62.300 0.044 0.000 1.053 284 V CB -0.559 31.262 31.823 -0.003 0.000 0.679 284 V HN 0.035 nan 8.190 nan 0.000 0.458 285 I N 0.318 120.905 120.570 0.028 0.000 2.127 285 I HA -0.217 4.089 4.170 0.228 0.000 0.241 285 I C 2.697 178.842 176.117 0.047 0.000 1.075 285 I CA 2.105 63.422 61.300 0.028 0.000 1.334 285 I CB -0.374 37.636 38.000 0.017 0.000 1.040 285 I HN 0.266 nan 8.210 nan 0.000 0.405 286 L N -0.381 120.872 121.223 0.051 0.000 2.079 286 L HA -0.292 4.185 4.340 0.228 0.000 0.210 286 L C 2.649 179.587 176.870 0.113 0.000 1.081 286 L CA 1.651 56.527 54.840 0.059 0.000 0.752 286 L CB -1.043 41.038 42.059 0.037 0.000 0.896 286 L HN 0.419 nan 8.230 nan 0.000 0.433 287 H N 0.296 119.366 119.070 0.000 0.000 2.321 287 H HA -0.182 4.511 4.556 0.229 0.000 0.300 287 H C 2.494 177.823 175.328 0.002 0.000 1.087 287 H CA 1.542 57.591 56.048 0.002 0.000 1.319 287 H CB 0.178 29.940 29.762 -0.001 0.000 1.379 287 H HN 0.178 nan 8.280 nan 0.000 0.501 288 I N 1.062 121.659 120.570 0.046 0.000 2.185 288 I HA -0.366 3.941 4.170 0.228 0.000 0.246 288 I C 2.443 178.574 176.117 0.023 0.000 1.088 288 I CA 1.536 62.827 61.300 -0.016 0.000 1.347 288 I CB -0.304 37.691 38.000 -0.009 0.000 1.041 288 I HN 0.458 nan 8.210 nan 0.000 0.415 289 Q N -0.269 119.559 119.800 0.048 0.000 2.368 289 Q HA -0.157 4.320 4.340 0.228 0.000 0.210 289 Q C 1.722 177.745 176.000 0.038 0.000 0.982 289 Q CA 1.611 57.438 55.803 0.041 0.000 0.884 289 Q CB 0.048 28.808 28.738 0.037 0.000 0.933 289 Q HN 0.669 nan 8.270 nan 0.000 0.460 290 V N -4.118 115.833 119.914 0.061 0.000 3.380 290 V HA 0.219 4.476 4.120 0.228 0.000 0.307 290 V C 0.998 177.128 176.094 0.060 0.000 1.434 290 V CA 0.484 62.820 62.300 0.060 0.000 1.075 290 V CB 0.514 32.381 31.823 0.074 0.000 0.954 290 V HN 0.193 nan 8.190 nan 0.000 0.444 291 S N 1.199 116.920 115.700 0.036 0.000 3.248 291 S HA 0.057 4.664 4.470 0.228 0.000 0.173 291 S C 1.751 176.337 174.600 -0.023 0.000 0.749 291 S CA 0.933 59.132 58.200 -0.001 0.000 0.898 291 S CB -0.098 63.071 63.200 -0.051 0.000 1.027 291 S HN 0.538 nan 8.310 nan 0.000 0.781 292 T N 0.448 114.971 114.554 -0.051 0.000 2.951 292 T HA 0.282 4.768 4.350 0.228 0.000 0.268 292 T C 1.414 176.063 174.700 -0.084 0.000 1.073 292 T CA 1.089 63.149 62.100 -0.067 0.000 1.134 292 T CB -0.769 68.054 68.868 -0.075 0.000 0.884 292 T HN 0.547 nan 8.240 nan 0.000 0.479 293 L N -0.282 120.920 121.223 -0.035 0.000 2.560 293 L HA -0.243 4.234 4.340 0.228 0.000 0.431 293 L C 0.779 177.705 176.870 0.094 0.000 1.606 293 L CA 1.986 56.834 54.840 0.013 0.000 3.191 293 L CB -1.560 40.501 42.059 0.004 0.000 1.253 293 L HN 0.828 nan 8.230 nan 0.000 0.811 294 H N -2.366 116.739 119.070 0.058 0.000 2.905 294 H HA 0.564 5.256 4.556 0.227 0.000 0.280 294 H C -3.080 172.273 175.328 0.041 0.000 1.445 294 H CA -1.685 54.391 56.048 0.048 0.000 1.165 294 H CB 1.269 31.068 29.762 0.062 0.000 1.857 294 H HN -0.151 nan 8.280 nan 0.000 0.567 295 P HA 0.076 nan 4.420 nan 0.000 0.284 295 P C -0.051 177.395 177.300 0.243 0.000 1.253 295 P CA -0.298 62.887 63.100 0.141 0.000 0.800 295 P CB 0.894 32.674 31.700 0.132 0.000 0.961 296 S N 1.809 117.584 115.700 0.125 0.000 3.129 296 S HA -0.098 4.509 4.470 0.228 0.000 0.371 296 S C 1.236 175.958 174.600 0.204 0.000 1.196 296 S CA 0.695 58.984 58.200 0.149 0.000 0.989 296 S CB -0.459 62.795 63.200 0.090 0.000 0.695 296 S HN 0.476 nan 8.310 nan 0.000 0.499 297 T N 6.792 121.476 114.554 0.216 0.000 2.668 297 T HA -0.092 4.395 4.350 0.228 0.000 0.262 297 T C 1.287 176.025 174.700 0.065 0.000 1.045 297 T CA 1.463 63.616 62.100 0.089 0.000 1.152 297 T CB -0.643 68.232 68.868 0.012 0.000 0.864 297 T HN 0.695 nan 8.240 nan 0.000 0.419 298 F N 2.644 122.568 119.950 -0.043 0.000 2.053 298 F HA -0.321 4.341 4.527 0.225 0.000 0.295 298 F C 2.052 177.896 175.800 0.073 0.000 1.102 298 F CA 2.021 60.024 58.000 0.005 0.000 1.225 298 F CB -0.564 38.453 39.000 0.030 0.000 0.961 298 F HN 0.249 nan 8.300 nan 0.000 0.495 299 N N -1.121 117.770 118.700 0.318 0.000 2.300 299 N HA -0.139 4.737 4.740 0.228 0.000 0.179 299 N C 1.644 177.223 175.510 0.116 0.000 1.016 299 N CA 0.725 53.911 53.050 0.228 0.000 0.876 299 N CB -0.225 38.359 38.487 0.163 0.000 0.979 299 N HN 0.503 nan 8.380 nan 0.000 0.432 300 Q N 0.700 120.550 119.800 0.085 0.000 2.170 300 Q HA -0.049 4.428 4.340 0.228 0.000 0.203 300 Q C 1.889 177.875 176.000 -0.023 0.000 0.976 300 Q CA 0.852 56.678 55.803 0.037 0.000 0.858 300 Q CB 0.063 28.818 28.738 0.028 0.000 0.907 300 Q HN 0.443 nan 8.270 nan 0.000 0.433 301 L N -0.578 120.617 121.223 -0.047 0.000 2.209 301 L HA -0.065 4.412 4.340 0.228 0.000 0.207 301 L C 2.245 179.114 176.870 -0.003 0.000 1.094 301 L CA 0.362 55.138 54.840 -0.108 0.000 0.790 301 L CB -0.074 41.786 42.059 -0.332 0.000 0.932 301 L HN 0.295 nan 8.230 nan 0.000 0.447 302 M N -0.341 119.302 119.600 0.071 0.000 2.065 302 M HA -0.258 4.359 4.480 0.228 0.000 0.259 302 M C 2.237 178.453 176.300 -0.141 0.000 1.069 302 M CA 2.058 57.349 55.300 -0.014 0.000 1.110 302 M CB -0.347 32.258 32.600 0.008 0.000 1.328 302 M HN 0.157 nan 8.290 nan 0.000 0.405 303 I N -1.078 119.414 120.570 -0.130 0.000 2.179 303 I HA -0.283 4.024 4.170 0.228 0.000 0.242 303 I C 2.721 178.649 176.117 -0.314 0.000 1.088 303 I CA 1.218 62.376 61.300 -0.238 0.000 1.357 303 I CB -0.532 37.390 38.000 -0.130 0.000 1.051 303 I HN 0.312 nan 8.210 nan 0.000 0.409 304 S N 0.210 115.788 115.700 -0.205 0.000 2.356 304 S HA -0.236 4.371 4.470 0.228 0.000 0.223 304 S C 2.056 176.570 174.600 -0.143 0.000 1.032 304 S CA 1.562 59.657 58.200 -0.175 0.000 1.005 304 S CB -0.161 62.980 63.200 -0.098 0.000 0.867 304 S HN 0.416 nan 8.310 nan 0.000 0.449 305 Q N 0.062 119.761 119.800 -0.168 0.000 2.079 305 Q HA -0.110 4.367 4.340 0.228 0.000 0.200 305 Q C 2.308 178.159 176.000 -0.249 0.000 0.974 305 Q CA 1.505 57.209 55.803 -0.164 0.000 0.840 305 Q CB -0.418 28.249 28.738 -0.118 0.000 0.898 305 Q HN 0.552 nan 8.270 nan 0.000 0.430 306 L N 0.971 121.971 121.223 -0.370 0.000 1.971 306 L HA -0.242 4.235 4.340 0.228 0.000 0.215 306 L C 2.071 178.525 176.870 -0.693 0.000 1.072 306 L CA 1.802 56.275 54.840 -0.611 0.000 0.758 306 L CB -0.550 41.080 42.059 -0.714 0.000 0.889 306 L HN 0.169 nan 8.230 nan 0.000 0.433 307 L N -1.151 119.656 121.223 -0.694 0.000 2.083 307 L HA -0.231 4.246 4.340 0.228 0.000 0.209 307 L C 2.612 179.154 176.870 -0.546 0.000 1.083 307 L CA 1.283 55.618 54.840 -0.842 0.000 0.752 307 L CB -1.079 39.933 42.059 -1.745 0.000 0.899 307 L HN 0.449 nan 8.230 nan 0.000 0.433 308 H N -0.796 118.009 119.070 -0.442 0.000 2.495 308 H HA -0.114 4.580 4.556 0.230 0.000 0.287 308 H C 2.049 177.410 175.328 0.055 0.000 1.033 308 H CA 1.280 57.309 56.048 -0.031 0.000 1.307 308 H CB 0.452 30.185 29.762 -0.049 0.000 1.401 308 H HN 0.358 nan 8.280 nan 0.000 0.555 309 E N 0.384 120.624 120.200 0.066 0.000 2.122 309 E HA -0.104 4.383 4.350 0.228 0.000 0.190 309 E C 1.790 178.508 176.600 0.197 0.000 0.977 309 E CA 0.583 57.022 56.400 0.064 0.000 0.820 309 E CB -0.196 29.462 29.700 -0.069 0.000 0.770 309 E HN 0.218 nan 8.360 nan 0.000 0.462 310 W N 1.315 122.635 121.300 0.033 0.000 2.436 310 W HA 0.325 5.113 4.660 0.214 0.000 0.284 310 W C 1.315 177.926 176.519 0.153 0.000 1.225 310 W CA 1.503 58.895 57.345 0.078 0.000 1.271 310 W CB -1.020 28.485 29.460 0.076 0.000 1.114 310 W HN 0.289 nan 8.180 nan 0.000 0.559 311 G N 0.493 109.569 108.800 0.459 0.000 2.749 311 G HA2 -0.361 3.735 3.960 0.228 0.000 0.242 311 G HA3 -0.361 3.735 3.960 0.228 0.000 0.242 311 G C 0.621 175.801 174.900 0.466 0.000 1.364 311 G CA 0.330 45.681 45.100 0.420 0.000 0.888 311 G HN 0.289 nan 8.290 nan 0.000 0.566 312 E N -0.293 120.038 120.200 0.219 0.000 2.285 312 E HA 0.020 4.507 4.350 0.228 0.000 0.194 312 E C 2.217 178.938 176.600 0.202 0.000 0.997 312 E CA 1.064 57.573 56.400 0.182 0.000 0.845 312 E CB 0.083 29.743 29.700 -0.067 0.000 0.782 312 E HN 0.631 nan 8.360 nan 0.000 0.491 313 E N 0.211 120.491 120.200 0.133 0.000 2.072 313 E HA -0.115 4.371 4.350 0.228 0.000 0.191 313 E C 2.080 178.678 176.600 -0.003 0.000 0.985 313 E CA 1.286 57.723 56.400 0.060 0.000 0.801 313 E CB -0.136 29.587 29.700 0.040 0.000 0.750 313 E HN 0.239 nan 8.360 nan 0.000 0.452 314 G N -0.101 108.701 108.800 0.002 0.000 2.421 314 G HA2 -0.242 3.855 3.960 0.228 0.000 0.217 314 G HA3 -0.242 3.855 3.960 0.228 0.000 0.217 314 G C 1.317 175.868 174.900 -0.582 0.000 1.143 314 G CA 0.531 45.421 45.100 -0.350 0.000 0.784 314 G HN 0.346 nan 8.290 nan 0.000 0.541 315 F N 1.202 121.069 119.950 -0.138 0.000 2.084 315 F HA 0.041 4.713 4.527 0.243 0.000 0.296 315 F C 2.595 178.347 175.800 -0.081 0.000 1.111 315 F CA 1.305 59.301 58.000 -0.006 0.000 1.224 315 F CB -0.050 39.167 39.000 0.363 0.000 0.991 315 F HN -0.028 nan 8.300 nan 0.000 0.471 316 M N 0.551 120.145 119.600 -0.010 0.000 2.213 316 M HA -0.115 4.502 4.480 0.228 0.000 0.263 316 M C 2.448 178.638 176.300 -0.183 0.000 1.062 316 M CA 1.536 56.771 55.300 -0.108 0.000 1.105 316 M CB -2.073 30.561 32.600 0.056 0.000 1.385 316 M HN 0.354 nan 8.290 nan 0.000 0.417 317 A N -0.973 121.724 122.820 -0.205 0.000 1.898 317 A HA -0.203 4.254 4.320 0.228 0.000 0.216 317 A C 2.014 179.433 177.584 -0.276 0.000 1.181 317 A CA 2.046 53.956 52.037 -0.212 0.000 0.620 317 A CB -1.065 17.809 19.000 -0.210 0.000 0.819 317 A HN 0.594 nan 8.150 nan 0.000 0.442 318 H N 0.278 119.024 119.070 -0.540 0.000 2.265 318 H HA -0.156 4.533 4.556 0.222 0.000 0.295 318 H C 2.030 177.165 175.328 -0.322 0.000 1.084 318 H CA 3.123 58.861 56.048 -0.516 0.000 1.261 318 H CB -0.428 28.826 29.762 -0.847 0.000 1.360 318 H HN 0.316 nan 8.280 nan 0.000 0.487 319 V N -0.039 119.631 119.914 -0.407 0.000 2.568 319 V HA -0.231 4.026 4.120 0.228 0.000 0.253 319 V C 1.718 177.711 176.094 -0.168 0.000 1.072 319 V CA 2.661 64.780 62.300 -0.302 0.000 1.084 319 V CB -0.639 31.015 31.823 -0.283 0.000 0.676 319 V HN 0.523 nan 8.190 nan 0.000 0.469 320 D N -0.233 120.069 120.400 -0.163 0.000 2.149 320 D HA -0.079 4.698 4.640 0.228 0.000 0.201 320 D C 2.426 178.679 176.300 -0.078 0.000 0.972 320 D CA 1.242 55.191 54.000 -0.085 0.000 0.835 320 D CB -0.053 40.702 40.800 -0.074 0.000 0.966 320 D HN 0.481 nan 8.370 nan 0.000 0.476 321 R N 0.007 120.418 120.500 -0.149 0.000 2.081 321 R HA -0.112 4.365 4.340 0.228 0.000 0.235 321 R C 2.511 178.755 176.300 -0.094 0.000 1.131 321 R CA 1.382 57.407 56.100 -0.125 0.000 0.960 321 R CB -0.605 29.599 30.300 -0.160 0.000 0.856 321 R HN 0.235 nan 8.270 nan 0.000 0.436 322 V N -0.230 119.572 119.914 -0.187 0.000 2.252 322 V HA -0.262 3.994 4.120 0.228 0.000 0.249 322 V C 2.081 178.321 176.094 0.244 0.000 1.056 322 V CA 1.818 64.114 62.300 -0.006 0.000 1.022 322 V CB -0.757 31.085 31.823 0.032 0.000 0.641 322 V HN 0.211 nan 8.190 nan 0.000 0.445 323 I N 0.570 121.270 120.570 0.217 0.000 2.151 323 I HA -0.247 4.060 4.170 0.228 0.000 0.243 323 I C 2.651 178.931 176.117 0.271 0.000 1.080 323 I CA 2.284 63.776 61.300 0.319 0.000 1.339 323 I CB -0.798 37.326 38.000 0.208 0.000 1.039 323 I HN 0.325 nan 8.210 nan 0.000 0.409 324 D N 0.528 121.013 120.400 0.141 0.000 2.116 324 D HA -0.237 4.539 4.640 0.228 0.000 0.193 324 D C 1.928 178.262 176.300 0.056 0.000 0.998 324 D CA 1.445 55.491 54.000 0.076 0.000 0.836 324 D CB -0.329 40.493 40.800 0.037 0.000 0.951 324 D HN 0.292 nan 8.370 nan 0.000 0.449 325 F N 0.617 120.536 119.950 -0.051 0.000 2.051 325 F HA -0.281 4.363 4.527 0.196 0.000 0.296 325 F C 2.189 177.947 175.800 -0.069 0.000 1.122 325 F CA 1.398 59.328 58.000 -0.117 0.000 1.201 325 F CB -0.704 38.153 39.000 -0.237 0.000 0.978 325 F HN -0.070 nan 8.300 nan 0.000 0.472 326 Y N 0.821 121.158 120.300 0.062 0.000 2.256 326 Y HA -0.202 4.508 4.550 0.267 0.000 0.288 326 Y C 2.785 178.561 175.900 -0.206 0.000 1.155 326 Y CA 1.419 59.558 58.100 0.064 0.000 1.203 326 Y CB -1.196 37.532 38.460 0.448 0.000 0.980 326 Y HN 0.105 nan 8.280 nan 0.000 0.530 327 S N 0.052 115.643 115.700 -0.181 0.000 2.338 327 S HA -0.197 4.410 4.470 0.228 0.000 0.218 327 S C 1.724 176.039 174.600 -0.475 0.000 1.032 327 S CA 1.471 59.332 58.200 -0.565 0.000 0.999 327 S CB -0.716 62.284 63.200 -0.334 0.000 0.905 327 S HN 0.596 nan 8.310 nan 0.000 0.439 328 N N 1.371 119.873 118.700 -0.330 0.000 2.132 328 N HA -0.176 4.700 4.740 0.228 0.000 0.191 328 N C 1.829 177.109 175.510 -0.382 0.000 1.015 328 N CA 1.186 54.052 53.050 -0.307 0.000 0.864 328 N CB -0.184 38.163 38.487 -0.232 0.000 1.006 328 N HN 0.282 nan 8.380 nan 0.000 0.430 329 Q N 0.903 120.413 119.800 -0.482 0.000 2.124 329 Q HA -0.140 4.336 4.340 0.228 0.000 0.202 329 Q C 1.990 177.696 176.000 -0.490 0.000 0.977 329 Q CA 1.051 56.609 55.803 -0.408 0.000 0.850 329 Q CB -0.172 28.368 28.738 -0.331 0.000 0.901 329 Q HN 0.507 nan 8.270 nan 0.000 0.429 330 K N 0.753 120.649 120.400 -0.840 0.000 2.155 330 K HA -0.143 4.314 4.320 0.228 0.000 0.203 330 K C 0.963 177.174 176.600 -0.649 0.000 1.052 330 K CA 1.240 56.787 56.287 -1.233 0.000 0.948 330 K CB 0.134 31.713 32.500 -1.535 0.000 0.728 330 K HN -0.035 nan 8.250 nan 0.000 0.448 331 D N 1.122 121.235 120.400 -0.479 0.000 2.149 331 D HA -0.141 4.636 4.640 0.228 0.000 0.198 331 D C 1.782 177.928 176.300 -0.256 0.000 0.990 331 D CA 1.546 55.363 54.000 -0.305 0.000 0.839 331 D CB -0.117 40.536 40.800 -0.245 0.000 0.948 331 D HN 0.404 nan 8.370 nan 0.000 0.460 332 A N 0.179 122.839 122.820 -0.265 0.000 1.930 332 A HA -0.056 4.401 4.320 0.228 0.000 0.215 332 A C 2.212 179.656 177.584 -0.234 0.000 1.176 332 A CA 0.512 52.428 52.037 -0.202 0.000 0.632 332 A CB -0.519 18.383 19.000 -0.162 0.000 0.819 332 A HN 0.177 nan 8.150 nan 0.000 0.445 333 I N -0.238 120.168 120.570 -0.274 0.000 2.286 333 I HA -0.193 4.113 4.170 0.228 0.000 0.248 333 I C 2.203 178.051 176.117 -0.449 0.000 1.115 333 I CA 1.212 62.327 61.300 -0.308 0.000 1.392 333 I CB -0.062 37.855 38.000 -0.139 0.000 1.065 333 I HN 0.315 nan 8.210 nan 0.000 0.418 334 L N -0.513 120.516 121.223 -0.324 0.000 2.068 334 L HA -0.061 4.415 4.340 0.228 0.000 0.204 334 L C 2.683 179.455 176.870 -0.164 0.000 1.076 334 L CA 1.013 55.719 54.840 -0.223 0.000 0.753 334 L CB -0.947 41.066 42.059 -0.077 0.000 0.910 334 L HN 0.232 nan 8.230 nan 0.000 0.439 335 A N 0.611 123.335 122.820 -0.160 0.000 1.884 335 A HA -0.334 4.122 4.320 0.228 0.000 0.219 335 A C 2.503 179.986 177.584 -0.169 0.000 1.197 335 A CA 2.453 54.411 52.037 -0.133 0.000 0.637 335 A CB -1.001 17.925 19.000 -0.124 0.000 0.827 335 A HN 0.427 nan 8.150 nan 0.000 0.450 336 A N -0.823 121.840 122.820 -0.260 0.000 1.933 336 A HA 0.180 4.637 4.320 0.228 0.000 0.218 336 A C 2.448 179.833 177.584 -0.332 0.000 1.175 336 A CA 2.196 54.076 52.037 -0.261 0.000 0.628 336 A CB -0.850 17.878 19.000 -0.453 0.000 0.814 336 A HN 1.168 nan 8.150 nan 0.000 0.444 337 A N -0.743 121.726 122.820 -0.585 0.000 1.970 337 A HA -0.065 4.392 4.320 0.228 0.000 0.216 337 A C 1.786 179.359 177.584 -0.018 0.000 1.170 337 A CA 1.395 53.142 52.037 -0.483 0.000 0.645 337 A CB -0.331 18.041 19.000 -1.048 0.000 0.816 337 A HN 0.435 nan 8.150 nan 0.000 0.447 338 D N -0.393 120.037 120.400 0.051 0.000 2.219 338 D HA -0.111 4.666 4.640 0.228 0.000 0.205 338 D C 1.857 178.159 176.300 0.002 0.000 0.970 338 D CA 1.005 55.103 54.000 0.164 0.000 0.851 338 D CB -0.017 40.848 40.800 0.108 0.000 0.943 338 D HN 0.515 nan 8.370 nan 0.000 0.488 339 K N -0.656 119.670 120.400 -0.124 0.000 2.062 339 K HA -0.134 4.323 4.320 0.228 0.000 0.205 339 K C 1.470 177.757 176.600 -0.522 0.000 1.051 339 K CA 1.044 57.102 56.287 -0.382 0.000 0.941 339 K CB 0.134 32.341 32.500 -0.489 0.000 0.719 339 K HN 0.136 nan 8.250 nan 0.000 0.440 340 W N -0.900 120.434 121.300 0.056 0.000 2.904 340 W HA 0.168 4.963 4.660 0.225 0.000 0.265 340 W C 1.145 177.743 176.519 0.132 0.000 1.138 340 W CA -0.593 56.809 57.345 0.095 0.000 1.455 340 W CB 0.303 29.840 29.460 0.128 0.000 0.924 340 W HN -0.050 nan 8.180 nan 0.000 0.619 341 L N 0.766 122.216 121.223 0.377 0.000 2.567 341 L HA 0.139 4.615 4.340 0.228 0.000 0.225 341 L C 1.101 178.193 176.870 0.369 0.000 1.119 341 L CA 0.748 55.812 54.840 0.373 0.000 0.871 341 L CB -1.647 40.625 42.059 0.355 0.000 1.036 341 L HN -0.165 nan 8.230 nan 0.000 0.459 342 T N -1.262 113.467 114.554 0.293 0.000 2.750 342 T HA 0.304 4.790 4.350 0.228 0.000 0.277 342 T C 1.434 176.197 174.700 0.106 0.000 0.996 342 T CA 0.442 62.648 62.100 0.178 0.000 1.195 342 T CB 0.096 69.015 68.868 0.084 0.000 0.963 342 T HN 0.541 nan 8.240 nan 0.000 0.516 343 G N 2.666 111.503 108.800 0.061 0.000 2.205 343 G HA2 -0.262 3.835 3.960 0.228 0.000 0.261 343 G HA3 -0.262 3.835 3.960 0.228 0.000 0.261 343 G C 0.537 175.467 174.900 0.050 0.000 0.980 343 G CA 0.303 45.419 45.100 0.027 0.000 0.632 343 G HN 0.721 nan 8.290 nan 0.000 0.533 344 L N -0.160 121.126 121.223 0.106 0.000 2.638 344 L HA 0.713 5.189 4.340 0.228 0.000 0.232 344 L C 1.140 178.081 176.870 0.118 0.000 1.099 344 L CA 0.779 55.681 54.840 0.102 0.000 0.883 344 L CB 0.450 42.585 42.059 0.127 0.000 1.136 344 L HN 0.633 nan 8.230 nan 0.000 0.492 345 A N -0.354 122.583 122.820 0.196 0.000 2.610 345 A HA 0.697 5.153 4.320 0.228 0.000 0.291 345 A C -1.339 176.383 177.584 0.230 0.000 1.086 345 A CA -0.509 51.671 52.037 0.238 0.000 0.677 345 A CB 1.542 20.746 19.000 0.341 0.000 1.278 345 A HN 0.014 nan 8.150 nan 0.000 0.414 346 E N -0.331 119.966 120.200 0.162 0.000 2.266 346 E HA 0.620 5.106 4.350 0.228 0.000 0.268 346 E C -1.663 175.019 176.600 0.137 0.000 0.879 346 E CA -0.390 55.964 56.400 -0.077 0.000 0.762 346 E CB 2.169 31.779 29.700 -0.150 0.000 1.199 346 E HN 0.678 nan 8.360 nan 0.000 0.422 347 W N 0.989 122.223 121.300 -0.109 0.000 3.146 347 W HA 0.428 5.224 4.660 0.226 0.000 0.319 347 W C -1.268 175.157 176.519 -0.155 0.000 1.258 347 W CA -0.708 56.593 57.345 -0.073 0.000 1.189 347 W CB 0.452 29.953 29.460 0.068 0.000 1.412 347 W HN 0.343 nan 8.180 nan 0.000 0.567 348 H N 1.145 120.407 119.070 0.319 0.000 2.567 348 H HA 0.511 5.203 4.556 0.226 0.000 0.345 348 H C -0.225 175.308 175.328 0.342 0.000 1.169 348 H CA -0.860 55.317 56.048 0.215 0.000 1.227 348 H CB 2.387 32.261 29.762 0.187 0.000 1.607 348 H HN 0.532 nan 8.280 nan 0.000 0.534 349 V N 2.468 122.614 119.914 0.386 0.000 2.455 349 V HA 0.215 4.471 4.120 0.228 0.000 0.273 349 V C -2.326 173.941 176.094 0.288 0.000 1.045 349 V CA -1.453 61.035 62.300 0.313 0.000 0.976 349 V CB 0.288 32.232 31.823 0.202 0.000 0.993 349 V HN 0.534 nan 8.190 nan 0.000 0.475 350 P HA 0.142 nan 4.420 nan 0.000 0.263 350 P C 0.389 177.932 177.300 0.404 0.000 1.175 350 P CA 0.622 63.945 63.100 0.372 0.000 0.761 350 P CB 0.928 32.950 31.700 0.536 0.000 0.794 351 A N 2.223 125.180 122.820 0.229 0.000 2.095 351 A HA 0.530 4.986 4.320 0.228 0.000 0.212 351 A C 0.859 178.303 177.584 -0.233 0.000 1.162 351 A CA 1.384 53.489 52.037 0.113 0.000 0.753 351 A CB -0.124 18.891 19.000 0.025 0.000 0.840 351 A HN 0.659 nan 8.150 nan 0.000 0.468 352 A N -3.305 119.316 122.820 -0.331 0.000 2.536 352 A HA 0.671 5.128 4.320 0.228 0.000 0.293 352 A C 0.558 177.887 177.584 -0.425 0.000 1.119 352 A CA 0.085 51.616 52.037 -0.843 0.000 0.654 352 A CB -0.369 18.337 19.000 -0.491 0.000 1.291 352 A HN 2.085 nan 8.150 nan 0.000 0.439 353 G N -0.848 107.672 108.800 -0.466 0.000 2.593 353 G HA2 0.173 4.270 3.960 0.228 0.000 0.237 353 G HA3 0.173 4.270 3.960 0.228 0.000 0.237 353 G C 0.390 175.005 174.900 -0.476 0.000 1.312 353 G CA 0.854 45.590 45.100 -0.607 0.000 0.896 353 G HN 2.382 nan 8.290 nan 0.000 0.574 354 M N -2.192 116.816 119.600 -0.987 0.000 2.747 354 M HA 0.726 5.342 4.480 0.228 0.000 0.402 354 M C -0.930 174.314 176.300 -1.761 0.000 1.238 354 M CA -0.165 54.187 55.300 -1.580 0.000 0.877 354 M CB 0.558 32.454 32.600 -1.173 0.000 1.424 354 M HN 0.363 nan 8.290 nan 0.000 0.511 355 F N 1.673 121.136 119.950 -0.811 0.000 2.557 355 F HA 0.632 5.315 4.527 0.259 0.000 0.316 355 F C -0.969 174.894 175.800 0.105 0.000 1.141 355 F CA -1.369 56.464 58.000 -0.279 0.000 0.922 355 F CB 1.961 40.824 39.000 -0.228 0.000 1.194 355 F HN 0.094 nan 8.300 nan 0.000 0.443 356 L N 4.262 125.771 121.223 0.477 0.000 2.334 356 L HA 0.557 5.034 4.340 0.228 0.000 0.275 356 L C -1.401 175.745 176.870 0.460 0.000 1.036 356 L CA -0.654 54.462 54.840 0.459 0.000 0.807 356 L CB 1.601 43.882 42.059 0.370 0.000 1.231 356 L HN 0.728 nan 8.230 nan 0.000 0.438 357 W N 7.841 129.264 121.300 0.206 0.000 2.554 357 W HA 0.547 5.346 4.660 0.232 0.000 0.324 357 W C -1.930 174.776 176.519 0.313 0.000 1.018 357 W CA -0.822 56.627 57.345 0.174 0.000 1.243 357 W CB 1.496 31.003 29.460 0.078 0.000 1.345 357 W HN 0.369 nan 8.180 nan 0.000 0.441 358 I N 6.230 126.795 120.570 -0.009 0.000 2.439 358 I HA 0.156 4.463 4.170 0.228 0.000 0.283 358 I C 0.095 176.155 176.117 -0.095 0.000 1.023 358 I CA -0.653 60.689 61.300 0.071 0.000 1.100 358 I CB 2.001 40.032 38.000 0.053 0.000 1.238 358 I HN 0.249 nan 8.210 nan 0.000 0.445 359 K N 7.161 127.516 120.400 -0.075 0.000 2.262 359 K HA 0.277 4.734 4.320 0.228 0.000 0.288 359 K C -0.356 176.113 176.600 -0.220 0.000 1.090 359 K CA -0.341 55.693 56.287 -0.423 0.000 0.918 359 K CB 0.873 33.139 32.500 -0.391 0.000 1.139 359 K HN 0.519 nan 8.250 nan 0.000 0.462 360 V N 3.010 122.779 119.914 -0.243 0.000 2.555 360 V HA 0.222 4.479 4.120 0.228 0.000 0.286 360 V C -0.386 175.629 176.094 -0.132 0.000 1.044 360 V CA -0.294 61.932 62.300 -0.122 0.000 1.026 360 V CB 0.899 32.668 31.823 -0.089 0.000 0.981 360 V HN 0.687 nan 8.190 nan 0.000 0.480 361 K N 4.513 124.874 120.400 -0.066 0.000 2.248 361 K HA 0.586 5.043 4.320 0.228 0.000 0.281 361 K C 0.903 177.474 176.600 -0.048 0.000 1.054 361 K CA 0.431 56.681 56.287 -0.061 0.000 0.903 361 K CB 0.822 33.304 32.500 -0.029 0.000 1.077 361 K HN 1.499 nan 8.250 nan 0.000 0.474 362 G N 3.595 112.361 108.800 -0.057 0.000 2.132 362 G HA2 -0.229 3.868 3.960 0.228 0.000 0.234 362 G HA3 -0.229 3.868 3.960 0.228 0.000 0.234 362 G C -0.144 174.732 174.900 -0.041 0.000 0.989 362 G CA -0.099 44.977 45.100 -0.041 0.000 0.676 362 G HN 0.560 nan 8.290 nan 0.000 0.522 363 I N 0.012 120.549 120.570 -0.056 0.000 2.545 363 I HA 0.307 4.614 4.170 0.228 0.000 0.292 363 I C 1.082 177.158 176.117 -0.068 0.000 1.040 363 I CA -0.941 60.327 61.300 -0.053 0.000 1.068 363 I CB 1.740 39.709 38.000 -0.052 0.000 1.251 363 I HN 0.076 nan 8.210 nan 0.000 0.424 364 N N 2.390 121.058 118.700 -0.053 0.000 2.258 364 N HA -0.036 4.840 4.740 0.228 0.000 0.183 364 N C -0.261 175.217 175.510 -0.053 0.000 1.029 364 N CA 0.850 53.867 53.050 -0.055 0.000 0.857 364 N CB 0.475 38.939 38.487 -0.038 0.000 1.008 364 N HN 0.595 nan 8.380 nan 0.000 0.433 365 D N 0.040 120.418 120.400 -0.038 0.000 2.492 365 D HA 0.133 4.910 4.640 0.228 0.000 0.248 365 D C 0.734 177.021 176.300 -0.023 0.000 1.101 365 D CA -0.458 53.528 54.000 -0.023 0.000 0.840 365 D CB 2.086 42.879 40.800 -0.011 0.000 1.209 365 D HN 0.003 nan 8.370 nan 0.000 0.524 366 V N 1.549 121.451 119.914 -0.019 0.000 3.623 366 V HA 0.143 4.399 4.120 0.228 0.000 0.271 366 V C 1.734 177.829 176.094 0.001 0.000 1.248 366 V CA 0.415 62.703 62.300 -0.020 0.000 1.156 366 V CB -0.488 31.315 31.823 -0.033 0.000 0.870 366 V HN 0.389 nan 8.190 nan 0.000 0.453 367 K N 0.514 120.922 120.400 0.013 0.000 2.057 367 K HA -0.126 4.330 4.320 0.228 0.000 0.206 367 K C 2.151 178.755 176.600 0.007 0.000 1.050 367 K CA 1.942 58.241 56.287 0.020 0.000 0.935 367 K CB 0.002 32.518 32.500 0.026 0.000 0.715 367 K HN 0.485 nan 8.250 nan 0.000 0.439 368 E N 0.921 121.120 120.200 -0.002 0.000 2.047 368 E HA -0.164 4.323 4.350 0.228 0.000 0.191 368 E C 1.780 178.374 176.600 -0.012 0.000 0.987 368 E CA 0.592 56.988 56.400 -0.006 0.000 0.799 368 E CB -0.286 29.408 29.700 -0.009 0.000 0.752 368 E HN 0.072 nan 8.360 nan 0.000 0.449 369 L N 0.405 121.618 121.223 -0.017 0.000 1.997 369 L HA -0.230 4.247 4.340 0.228 0.000 0.216 369 L C 1.879 178.733 176.870 -0.026 0.000 1.074 369 L CA 1.672 56.497 54.840 -0.025 0.000 0.763 369 L CB -0.268 41.771 42.059 -0.033 0.000 0.890 369 L HN 0.159 nan 8.230 nan 0.000 0.434 370 I N -0.882 119.678 120.570 -0.018 0.000 2.260 370 I HA -0.174 4.133 4.170 0.228 0.000 0.237 370 I C 2.386 178.499 176.117 -0.008 0.000 1.075 370 I CA 1.198 62.489 61.300 -0.015 0.000 1.376 370 I CB -1.157 36.842 38.000 -0.001 0.000 1.107 370 I HN 0.293 nan 8.210 nan 0.000 0.420 371 E N 0.339 120.540 120.200 0.001 0.000 2.338 371 E HA -0.196 4.291 4.350 0.228 0.000 0.197 371 E C 1.774 178.373 176.600 -0.002 0.000 1.007 371 E CA 0.927 57.329 56.400 0.004 0.000 0.849 371 E CB 0.173 29.879 29.700 0.009 0.000 0.774 371 E HN 0.478 nan 8.360 nan 0.000 0.506 372 E N -0.499 119.697 120.200 -0.006 0.000 2.192 372 E HA 0.075 4.561 4.350 0.228 0.000 0.196 372 E C 1.626 178.218 176.600 -0.013 0.000 0.922 372 E CA 0.196 56.591 56.400 -0.008 0.000 0.924 372 E CB 0.369 30.064 29.700 -0.008 0.000 0.911 372 E HN -0.061 nan 8.360 nan 0.000 0.478 373 K N 0.461 120.851 120.400 -0.018 0.000 2.044 373 K HA 0.138 4.595 4.320 0.228 0.000 0.204 373 K C 2.167 178.749 176.600 -0.030 0.000 1.045 373 K CA 0.830 57.104 56.287 -0.023 0.000 0.951 373 K CB 0.009 32.494 32.500 -0.025 0.000 0.738 373 K HN 0.011 nan 8.250 nan 0.000 0.443 374 A N 1.341 124.139 122.820 -0.036 0.000 1.902 374 A HA -0.134 4.323 4.320 0.228 0.000 0.217 374 A C 2.316 179.878 177.584 -0.037 0.000 1.181 374 A CA 1.442 53.451 52.037 -0.047 0.000 0.623 374 A CB -0.827 18.139 19.000 -0.058 0.000 0.818 374 A HN 0.139 nan 8.150 nan 0.000 0.443 375 V N 0.100 120.000 119.914 -0.024 0.000 2.343 375 V HA -0.267 3.990 4.120 0.228 0.000 0.247 375 V C 2.355 178.440 176.094 -0.016 0.000 1.051 375 V CA 2.635 64.925 62.300 -0.016 0.000 1.036 375 V CB -0.565 31.254 31.823 -0.006 0.000 0.654 375 V HN 0.619 nan 8.190 nan 0.000 0.451 376 K N -0.843 119.547 120.400 -0.017 0.000 2.113 376 K HA -0.180 4.277 4.320 0.228 0.000 0.208 376 K C 1.863 178.450 176.600 -0.020 0.000 1.047 376 K CA 1.672 57.949 56.287 -0.016 0.000 0.928 376 K CB -0.221 32.270 32.500 -0.015 0.000 0.716 376 K HN 0.367 nan 8.250 nan 0.000 0.446 377 M N -0.851 118.732 119.600 -0.029 0.000 2.618 377 M HA 0.070 4.686 4.480 0.228 0.000 0.240 377 M C 0.962 177.240 176.300 -0.036 0.000 1.123 377 M CA 0.757 56.035 55.300 -0.036 0.000 1.060 377 M CB 0.122 32.692 32.600 -0.050 0.000 1.535 377 M HN 0.421 nan 8.290 nan 0.000 0.507 378 G N 1.353 110.136 108.800 -0.029 0.000 2.132 378 G HA2 -0.158 3.939 3.960 0.228 0.000 0.228 378 G HA3 -0.158 3.939 3.960 0.228 0.000 0.228 378 G C 0.019 174.902 174.900 -0.028 0.000 1.000 378 G CA 0.278 45.365 45.100 -0.022 0.000 0.693 378 G HN 0.581 nan 8.290 nan 0.000 0.515 379 V N -2.108 117.781 119.914 -0.041 0.000 2.914 379 V HA 0.949 5.206 4.120 0.228 0.000 0.314 379 V C -0.287 175.778 176.094 -0.048 0.000 1.084 379 V CA -1.324 60.946 62.300 -0.051 0.000 0.963 379 V CB 2.547 34.316 31.823 -0.089 0.000 1.025 379 V HN 0.569 nan 8.190 nan 0.000 0.432 380 L N 5.206 126.404 121.223 -0.041 0.000 2.505 380 L HA 0.782 5.259 4.340 0.228 0.000 0.259 380 L C -0.860 176.001 176.870 -0.014 0.000 0.952 380 L CA -0.537 54.293 54.840 -0.017 0.000 0.840 380 L CB 2.210 44.276 42.059 0.012 0.000 1.358 380 L HN 1.123 nan 8.230 nan 0.000 0.409 381 M N 2.447 122.046 119.600 -0.001 0.000 2.895 381 M HA 0.401 5.018 4.480 0.228 0.000 0.271 381 M C -2.126 174.213 176.300 0.065 0.000 1.174 381 M CA -0.882 54.436 55.300 0.030 0.000 0.816 381 M CB 2.268 34.856 32.600 -0.020 0.000 1.647 381 M HN 0.307 nan 8.290 nan 0.000 0.506 382 L N 2.853 124.146 121.223 0.118 0.000 2.261 382 L HA 0.567 5.044 4.340 0.228 0.000 0.289 382 L C -2.410 174.588 176.870 0.213 0.000 1.059 382 L CA -1.108 53.835 54.840 0.172 0.000 0.816 382 L CB 0.684 42.877 42.059 0.223 0.000 1.191 382 L HN 0.371 nan 8.230 nan 0.000 0.431 383 P HA 0.045 nan 4.420 nan 0.000 0.264 383 P C 0.642 178.169 177.300 0.378 0.000 1.183 383 P CA 0.242 63.463 63.100 0.202 0.000 0.763 383 P CB 0.591 32.373 31.700 0.137 0.000 0.807 384 G N 2.525 111.590 108.800 0.443 0.000 2.882 384 G HA2 -0.169 3.928 3.960 0.228 0.000 0.206 384 G HA3 -0.169 3.928 3.960 0.228 0.000 0.206 384 G C 0.984 176.363 174.900 0.799 0.000 1.155 384 G CA 0.083 45.657 45.100 0.789 0.000 0.800 384 G HN 0.441 nan 8.290 nan 0.000 0.524 385 N N 1.655 120.637 118.700 0.470 0.000 2.142 385 N HA -0.041 4.835 4.740 0.228 0.000 0.186 385 N C 2.326 178.023 175.510 0.312 0.000 1.023 385 N CA 1.180 54.446 53.050 0.359 0.000 0.852 385 N CB -0.309 38.282 38.487 0.175 0.000 0.998 385 N HN 0.256 nan 8.380 nan 0.000 0.424 386 A N -0.071 122.805 122.820 0.093 0.000 2.186 386 A HA -0.050 4.406 4.320 0.228 0.000 0.219 386 A C 0.810 178.186 177.584 -0.346 0.000 1.159 386 A CA 0.862 52.766 52.037 -0.222 0.000 0.680 386 A CB -0.826 17.882 19.000 -0.488 0.000 0.787 386 A HN 0.308 nan 8.150 nan 0.000 0.467 387 F N -1.827 118.143 119.950 0.034 0.000 2.660 387 F HA 0.335 4.997 4.527 0.226 0.000 0.297 387 F C -0.335 175.200 175.800 -0.442 0.000 1.132 387 F CA -0.159 57.703 58.000 -0.231 0.000 1.372 387 F CB -0.197 38.577 39.000 -0.376 0.000 1.003 387 F HN 0.122 nan 8.300 nan 0.000 0.524 388 Y N -2.262 118.098 120.300 0.100 0.000 2.512 388 Y HA 0.325 5.014 4.550 0.232 0.000 0.348 388 Y C 0.920 176.821 175.900 0.000 0.000 0.990 388 Y CA -1.278 56.865 58.100 0.071 0.000 1.033 388 Y CB 1.373 39.896 38.460 0.105 0.000 1.259 388 Y HN -0.280 nan 8.280 nan 0.000 0.461 389 V N 0.070 120.069 119.914 0.142 0.000 2.317 389 V HA -0.284 3.973 4.120 0.228 0.000 0.251 389 V C 0.577 176.695 176.094 0.040 0.000 1.065 389 V CA 2.228 64.557 62.300 0.049 0.000 1.049 389 V CB -0.298 31.550 31.823 0.042 0.000 0.651 389 V HN 0.752 nan 8.190 nan 0.000 0.450 390 D N -0.291 120.161 120.400 0.088 0.000 2.479 390 D HA 0.156 4.933 4.640 0.228 0.000 0.218 390 D C 1.200 177.534 176.300 0.057 0.000 1.131 390 D CA 0.487 54.512 54.000 0.042 0.000 0.916 390 D CB 0.774 41.589 40.800 0.025 0.000 1.022 390 D HN 0.346 nan 8.370 nan 0.000 0.515 391 S N 1.003 116.720 115.700 0.030 0.000 2.607 391 S HA -0.074 4.532 4.470 0.228 0.000 0.224 391 S C 1.306 175.925 174.600 0.032 0.000 0.969 391 S CA 0.208 58.439 58.200 0.052 0.000 0.927 391 S CB -0.137 63.060 63.200 -0.005 0.000 0.772 391 S HN 0.283 nan 8.310 nan 0.000 0.533 392 S N 0.783 116.488 115.700 0.007 0.000 2.540 392 S HA 0.591 5.197 4.470 0.228 0.000 0.218 392 S C 0.780 175.376 174.600 -0.007 0.000 0.977 392 S CA -0.088 58.111 58.200 -0.001 0.000 0.918 392 S CB -0.134 63.059 63.200 -0.011 0.000 0.806 392 S HN 0.689 nan 8.310 nan 0.000 0.496 393 A N 3.011 125.821 122.820 -0.017 0.000 2.407 393 A HA 0.550 5.006 4.320 0.228 0.000 0.248 393 A C -2.561 174.996 177.584 -0.045 0.000 1.082 393 A CA -1.306 50.703 52.037 -0.046 0.000 0.785 393 A CB -0.501 18.445 19.000 -0.091 0.000 1.020 393 A HN 0.198 nan 8.150 nan 0.000 0.489 394 P HA 0.192 nan 4.420 nan 0.000 0.271 394 P C -0.470 176.807 177.300 -0.039 0.000 1.220 394 P CA 0.245 63.326 63.100 -0.031 0.000 0.768 394 P CB 0.959 32.639 31.700 -0.033 0.000 0.848 395 S N 3.547 119.255 115.700 0.013 0.000 2.473 395 S HA 0.523 5.130 4.470 0.228 0.000 0.307 395 S C -2.101 172.493 174.600 -0.010 0.000 1.094 395 S CA -1.975 56.263 58.200 0.064 0.000 1.070 395 S CB 0.872 64.220 63.200 0.246 0.000 1.019 395 S HN 0.251 nan 8.310 nan 0.000 0.480 396 P HA 0.200 nan 4.420 nan 0.000 0.261 396 P C -0.930 176.108 177.300 -0.437 0.000 1.352 396 P CA -0.049 62.883 63.100 -0.281 0.000 0.891 396 P CB -0.252 31.232 31.700 -0.361 0.000 1.383 397 Y N 0.281 120.458 120.300 -0.205 0.000 2.342 397 Y HA 0.385 5.073 4.550 0.230 0.000 0.334 397 Y C 0.942 176.637 175.900 -0.342 0.000 1.067 397 Y CA -0.792 56.996 58.100 -0.520 0.000 1.128 397 Y CB 1.183 38.913 38.460 -1.217 0.000 1.200 397 Y HN -0.252 nan 8.280 nan 0.000 0.464 398 L N 4.032 125.149 121.223 -0.176 0.000 2.322 398 L HA 0.598 5.074 4.340 0.228 0.000 0.279 398 L C -0.035 176.892 176.870 0.095 0.000 1.036 398 L CA -0.926 53.907 54.840 -0.012 0.000 0.807 398 L CB 1.616 43.657 42.059 -0.031 0.000 1.226 398 L HN 0.534 nan 8.230 nan 0.000 0.433 399 R N 2.098 122.754 120.500 0.260 0.000 2.460 399 R HA 0.775 5.252 4.340 0.228 0.000 0.303 399 R C -1.171 175.256 176.300 0.212 0.000 0.968 399 R CA -0.430 55.847 56.100 0.295 0.000 0.889 399 R CB 1.676 32.034 30.300 0.098 0.000 1.123 399 R HN 0.774 nan 8.270 nan 0.000 0.455 400 A N 2.817 125.803 122.820 0.278 0.000 2.343 400 A HA 0.309 4.766 4.320 0.228 0.000 0.308 400 A C -0.820 176.993 177.584 0.381 0.000 1.092 400 A CA -0.526 51.680 52.037 0.281 0.000 0.751 400 A CB 1.814 20.980 19.000 0.277 0.000 1.203 400 A HN 0.625 nan 8.150 nan 0.000 0.452 401 S N 1.875 117.784 115.700 0.349 0.000 2.448 401 S HA 0.406 5.012 4.470 0.228 0.000 0.279 401 S C 0.326 175.040 174.600 0.191 0.000 1.195 401 S CA -0.483 57.867 58.200 0.251 0.000 1.051 401 S CB -0.531 62.812 63.200 0.239 0.000 0.948 401 S HN 0.991 nan 8.310 nan 0.000 0.493 402 F N 3.837 123.860 119.950 0.122 0.000 2.676 402 F HA 0.298 4.956 4.527 0.219 0.000 0.300 402 F C 1.593 177.460 175.800 0.113 0.000 1.160 402 F CA -0.185 57.867 58.000 0.086 0.000 1.401 402 F CB -0.923 38.097 39.000 0.032 0.000 1.037 402 F HN 0.547 nan 8.300 nan 0.000 0.522 403 S N -0.641 115.155 115.700 0.160 0.000 2.406 403 S HA -0.052 4.554 4.470 0.228 0.000 0.224 403 S C 1.613 176.425 174.600 0.353 0.000 1.030 403 S CA 1.085 59.488 58.200 0.338 0.000 0.958 403 S CB -0.579 62.760 63.200 0.233 0.000 0.811 403 S HN 0.351 nan 8.310 nan 0.000 0.489 404 S N 1.362 117.209 115.700 0.246 0.000 2.599 404 S HA 0.589 5.196 4.470 0.228 0.000 0.236 404 S C 0.921 175.633 174.600 0.185 0.000 1.077 404 S CA 0.071 58.400 58.200 0.216 0.000 0.906 404 S CB -0.250 63.044 63.200 0.157 0.000 0.804 404 S HN 0.778 nan 8.310 nan 0.000 0.497 405 A N 2.968 125.886 122.820 0.163 0.000 2.483 405 A HA 0.484 4.941 4.320 0.228 0.000 0.238 405 A C 0.673 178.320 177.584 0.104 0.000 1.070 405 A CA -0.223 51.891 52.037 0.129 0.000 0.770 405 A CB -0.025 19.058 19.000 0.139 0.000 1.008 405 A HN 0.481 nan 8.150 nan 0.000 0.497 406 S N 2.081 117.831 115.700 0.083 0.000 2.632 406 S HA 0.456 5.063 4.470 0.228 0.000 0.271 406 S C -2.029 172.598 174.600 0.045 0.000 1.260 406 S CA -1.088 57.148 58.200 0.060 0.000 1.010 406 S CB 0.903 64.136 63.200 0.056 0.000 0.965 406 S HN 0.424 nan 8.310 nan 0.000 0.534 407 P HA -0.215 nan 4.420 nan 0.000 0.218 407 P C 1.474 178.796 177.300 0.037 0.000 1.150 407 P CA 1.523 64.629 63.100 0.011 0.000 0.841 407 P CB 0.001 31.699 31.700 -0.004 0.000 0.784 408 E N -0.298 119.928 120.200 0.043 0.000 2.158 408 E HA -0.162 4.325 4.350 0.228 0.000 0.191 408 E C 1.915 178.549 176.600 0.058 0.000 0.982 408 E CA 0.946 57.377 56.400 0.052 0.000 0.823 408 E CB -1.025 28.700 29.700 0.042 0.000 0.766 408 E HN 0.357 nan 8.360 nan 0.000 0.468 409 Q N 0.415 120.251 119.800 0.061 0.000 2.030 409 Q HA -0.089 4.388 4.340 0.228 0.000 0.204 409 Q C 2.403 178.462 176.000 0.098 0.000 0.986 409 Q CA 2.104 57.948 55.803 0.068 0.000 0.843 409 Q CB -0.229 28.553 28.738 0.074 0.000 0.904 409 Q HN 0.291 nan 8.270 nan 0.000 0.420 410 M N 0.130 119.809 119.600 0.133 0.000 2.117 410 M HA -0.208 4.409 4.480 0.228 0.000 0.262 410 M C 1.715 178.173 176.300 0.263 0.000 1.065 410 M CA 1.564 57.004 55.300 0.233 0.000 1.114 410 M CB -0.250 32.426 32.600 0.127 0.000 1.361 410 M HN 0.172 nan 8.290 nan 0.000 0.408 411 D N -0.073 120.415 120.400 0.147 0.000 2.133 411 D HA -0.158 4.619 4.640 0.228 0.000 0.195 411 D C 1.661 177.951 176.300 -0.016 0.000 0.997 411 D CA 1.430 55.526 54.000 0.159 0.000 0.840 411 D CB 0.182 41.084 40.800 0.170 0.000 0.947 411 D HN 0.116 nan 8.370 nan 0.000 0.452 412 V N 0.383 120.283 119.914 -0.024 0.000 2.488 412 V HA -0.061 4.196 4.120 0.228 0.000 0.246 412 V C 2.510 178.523 176.094 -0.135 0.000 1.046 412 V CA 1.346 63.575 62.300 -0.118 0.000 1.053 412 V CB -0.745 31.042 31.823 -0.059 0.000 0.679 412 V HN 0.325 nan 8.190 nan 0.000 0.458 413 A N -0.084 122.719 122.820 -0.029 0.000 1.908 413 A HA -0.208 4.249 4.320 0.228 0.000 0.218 413 A C 1.965 179.428 177.584 -0.201 0.000 1.181 413 A CA 2.096 54.091 52.037 -0.071 0.000 0.627 413 A CB -0.631 18.398 19.000 0.049 0.000 0.818 413 A HN 0.502 nan 8.150 nan 0.000 0.445 414 F N -0.990 118.841 119.950 -0.199 0.000 2.619 414 F HA 0.048 4.710 4.527 0.225 0.000 0.293 414 F C 2.421 177.916 175.800 -0.508 0.000 1.119 414 F CA 0.858 58.734 58.000 -0.206 0.000 1.445 414 F CB -0.153 38.839 39.000 -0.014 0.000 1.119 414 F HN 0.250 nan 8.300 nan 0.000 0.573 415 Q N 0.763 120.071 119.800 -0.820 0.000 2.124 415 Q HA -0.132 4.345 4.340 0.228 0.000 0.202 415 Q C 2.044 177.727 176.000 -0.529 0.000 0.977 415 Q CA 1.718 56.767 55.803 -1.257 0.000 0.850 415 Q CB -0.135 27.785 28.738 -1.363 0.000 0.901 415 Q HN 0.327 nan 8.270 nan 0.000 0.429 416 V N 0.742 120.450 119.914 -0.345 0.000 2.599 416 V HA -0.180 4.077 4.120 0.228 0.000 0.245 416 V C 2.347 178.341 176.094 -0.168 0.000 1.046 416 V CA 0.881 63.050 62.300 -0.217 0.000 1.065 416 V CB -0.436 31.284 31.823 -0.172 0.000 0.703 416 V HN 0.229 nan 8.190 nan 0.000 0.464 417 L N 0.972 122.077 121.223 -0.197 0.000 2.017 417 L HA -0.082 4.394 4.340 0.228 0.000 0.208 417 L C 2.505 179.322 176.870 -0.088 0.000 1.073 417 L CA 2.343 57.081 54.840 -0.170 0.000 0.745 417 L CB -0.782 41.102 42.059 -0.291 0.000 0.894 417 L HN 0.242 nan 8.230 nan 0.000 0.432 418 A N -1.279 121.515 122.820 -0.043 0.000 1.902 418 A HA -0.292 4.164 4.320 0.228 0.000 0.217 418 A C 2.292 179.893 177.584 0.028 0.000 1.181 418 A CA 1.785 53.857 52.037 0.057 0.000 0.623 418 A CB -0.792 18.328 19.000 0.201 0.000 0.818 418 A HN 0.632 nan 8.150 nan 0.000 0.443 419 Q N -0.545 119.245 119.800 -0.017 0.000 2.197 419 Q HA -0.167 4.310 4.340 0.228 0.000 0.207 419 Q C 1.876 177.866 176.000 -0.018 0.000 0.984 419 Q CA 1.607 57.401 55.803 -0.015 0.000 0.869 419 Q CB -0.154 28.553 28.738 -0.052 0.000 0.906 419 Q HN 0.705 nan 8.270 nan 0.000 0.426 420 L N -0.300 120.903 121.223 -0.034 0.000 2.202 420 L HA -0.046 4.431 4.340 0.228 0.000 0.205 420 L C 2.299 179.155 176.870 -0.024 0.000 1.083 420 L CA 0.171 54.991 54.840 -0.034 0.000 0.790 420 L CB -0.107 41.921 42.059 -0.051 0.000 0.942 420 L HN 0.197 nan 8.230 nan 0.000 0.452 421 I N -0.105 120.453 120.570 -0.020 0.000 2.127 421 I HA -0.339 3.968 4.170 0.228 0.000 0.241 421 I C 2.501 178.621 176.117 0.004 0.000 1.075 421 I CA 1.491 62.786 61.300 -0.008 0.000 1.334 421 I CB -0.367 37.635 38.000 0.003 0.000 1.040 421 I HN 0.190 nan 8.210 nan 0.000 0.405 422 K N 0.459 120.869 120.400 0.017 0.000 2.097 422 K HA -0.223 4.234 4.320 0.228 0.000 0.206 422 K C 2.013 178.619 176.600 0.010 0.000 1.049 422 K CA 1.474 57.774 56.287 0.022 0.000 0.933 422 K CB -0.169 32.353 32.500 0.037 0.000 0.717 422 K HN 0.313 nan 8.250 nan 0.000 0.442 423 E N 0.025 120.227 120.200 0.003 0.000 2.347 423 E HA -0.029 4.457 4.350 0.228 0.000 0.196 423 E C 0.870 177.466 176.600 -0.005 0.000 1.008 423 E CA 0.610 57.009 56.400 -0.002 0.000 0.852 423 E CB 0.337 30.033 29.700 -0.008 0.000 0.783 423 E HN 0.036 nan 8.360 nan 0.000 0.505 424 S N -0.298 115.397 115.700 -0.007 0.000 2.554 424 S HA 0.226 4.833 4.470 0.228 0.000 0.226 424 S C 0.393 174.987 174.600 -0.010 0.000 0.980 424 S CA -0.311 57.883 58.200 -0.011 0.000 0.939 424 S CB 0.470 63.660 63.200 -0.016 0.000 0.832 424 S HN 0.110 nan 8.310 nan 0.000 0.486 425 L N 0.000 121.220 121.223 -0.005 0.000 2.949 425 L HA 0.000 4.477 4.340 0.228 0.000 0.249 425 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 425 L CB 0.000 42.059 42.059 0.000 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502