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 2zxi_1_B DATA FIRST_RESID -1 DATA SEQUENCE SHMAWVVDEF DVVVIGGGHA GIEAALAAAR MGAKTAMFVL NADTIGQMSC DATA SEQUENCE NPAIGGIAKG IVVREIDALG GEMGKAIDQT GIQFKMLNTR KGKAVQSPRA DATA SEQUENCE QADKKRYREY MKKVCENQEN LYIKQEEVVD IIVKNNQVVG VRTNLGVEYK DATA SEQUENCE TKAVVVTTGT FLNGVIYIGD KMIPGGRLGE PRSEGLSDFY RRFDFPLIRF DATA SEQUENCE KTGTPARLDK RTIDFSALEV APGDDPPPKF SFWTEPVGSY WFPKGKEQVN DATA SEQUENCE CWITYTTPKT HEIIRKNLHR TAXXXXXXXX XXXRYCPSIE DKIVKFPDKE DATA SEQUENCE RHQIFLEPEG LDTIEIYPNG LSTSLPEEVQ WEMYRSIPGL ENVVLIRPAY DATA SEQUENCE AIEYDVVPPT ELYPTLETKK IRGLFHAGNF NGTTGYEEAA GQGIVAGINA DATA SEQUENCE ALRAFGKEPI YLRRDESYIG VMIDDLTTKG VTEPYRLFTS RSEYRLYIRQ DATA SEQUENCE DNAILRLAKL GRELGLLSEE QYKLVKELER EIEKWKEFYK SERVSVAVGG DATA SEQUENCE DTRSYSVATL MTMNYTLDDV KEKFGYEVPQ HPYVKEEVEI QLKYEPYIER DATA SEQUENCE ERKLNEKLKK LEDTKIPPDI DYDKIPGLTK EAREKLKKFK PITVGQASRI DATA SEQUENCE DGITPAAITA LLVYLGK 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 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.624 174.600 0.041 0.000 1.055 -1 S CA 0.000 58.200 58.200 0.000 0.000 1.107 -1 S CB 0.000 63.222 63.200 0.036 0.000 0.593 0 H N 0.311 119.389 119.070 0.014 0.000 2.592 0 H HA 0.586 5.142 4.556 0.000 0.000 0.265 0 H C 0.500 175.813 175.328 -0.025 0.000 0.955 0 H CA 0.173 56.220 56.048 -0.001 0.000 1.175 0 H CB -0.031 29.727 29.762 -0.007 0.000 1.433 0 H HN 0.313 nan 8.280 nan 0.000 0.537 1 M N 2.185 121.393 119.600 -0.652 0.000 2.185 1 M HA 0.448 4.928 4.480 0.001 0.000 0.357 1 M C 0.012 176.221 176.300 -0.151 0.000 1.260 1 M CA -0.433 54.578 55.300 -0.483 0.000 1.124 1 M CB 0.647 32.978 32.600 -0.447 0.000 1.600 1 M HN 0.380 nan 8.290 nan 0.000 0.467 2 A N 4.304 127.032 122.820 -0.152 0.000 2.406 2 A HA 0.381 4.701 4.320 0.001 0.000 0.243 2 A C -0.758 176.945 177.584 0.199 0.000 1.082 2 A CA -0.369 51.648 52.037 -0.032 0.000 0.786 2 A CB 0.007 18.852 19.000 -0.259 0.000 1.029 2 A HN 0.855 nan 8.150 nan 0.000 0.495 3 W N 0.627 121.861 121.300 -0.110 0.000 1.992 3 W HA 0.340 5.000 4.660 0.001 0.000 0.360 3 W C 1.488 177.943 176.519 -0.107 0.000 1.369 3 W CA -0.471 56.818 57.345 -0.094 0.000 1.403 3 W CB -0.555 28.861 29.460 -0.073 0.000 1.215 3 W HN 0.390 nan 8.180 nan 0.000 0.643 4 V N 1.230 121.225 119.914 0.136 0.000 2.324 4 V HA -0.278 3.842 4.120 0.001 0.000 0.250 4 V C 1.856 177.920 176.094 -0.050 0.000 1.060 4 V CA 1.911 64.219 62.300 0.012 0.000 1.042 4 V CB -1.386 30.435 31.823 -0.002 0.000 0.650 4 V HN 0.561 nan 8.190 nan 0.000 0.450 5 V N -0.257 119.657 119.914 0.001 0.000 3.078 5 V HA -0.140 3.981 4.120 0.001 0.000 0.265 5 V C 1.237 177.166 176.094 -0.275 0.000 1.122 5 V CA 1.824 64.061 62.300 -0.105 0.000 1.141 5 V CB -0.373 31.433 31.823 -0.028 0.000 0.735 5 V HN 0.583 nan 8.190 nan 0.000 0.498 6 D N 0.446 120.729 120.400 -0.195 0.000 2.643 6 D HA 0.221 4.861 4.640 0.001 0.000 0.244 6 D C 0.148 176.246 176.300 -0.336 0.000 1.257 6 D CA 0.030 53.897 54.000 -0.221 0.000 0.831 6 D CB 0.355 41.249 40.800 0.157 0.000 1.043 6 D HN 0.588 nan 8.370 nan 0.000 0.488 7 E N -0.015 119.827 120.200 -0.596 0.000 2.183 7 E HA 0.457 4.807 4.350 0.001 0.000 0.271 7 E C -0.666 175.503 176.600 -0.718 0.000 0.919 7 E CA -0.552 55.620 56.400 -0.380 0.000 0.781 7 E CB 1.624 31.231 29.700 -0.156 0.000 1.140 7 E HN -0.086 nan 8.360 nan 0.000 0.402 8 F N 0.398 120.378 119.950 0.050 0.000 2.611 8 F HA 0.269 4.796 4.527 0.000 0.000 0.324 8 F C 1.120 176.950 175.800 0.050 0.000 1.061 8 F CA -0.792 57.230 58.000 0.036 0.000 0.954 8 F CB 1.176 40.193 39.000 0.028 0.000 1.301 8 F HN 0.356 nan 8.300 nan 0.000 0.482 9 D N 0.007 120.561 120.400 0.255 0.000 2.197 9 D HA 0.090 4.730 4.640 0.001 0.000 0.212 9 D C -0.077 176.284 176.300 0.101 0.000 0.963 9 D CA 1.493 55.582 54.000 0.147 0.000 0.864 9 D CB 0.557 41.440 40.800 0.137 0.000 1.009 9 D HN 0.030 nan 8.370 nan 0.000 0.479 10 V N 1.278 121.259 119.914 0.113 0.000 2.656 10 V HA 0.329 4.449 4.120 0.001 0.000 0.307 10 V C -0.307 175.800 176.094 0.021 0.000 1.051 10 V CA -0.745 61.575 62.300 0.034 0.000 0.893 10 V CB 2.894 34.691 31.823 -0.043 0.000 0.999 10 V HN -0.241 nan 8.190 nan 0.000 0.426 11 V N 5.288 125.202 119.914 0.001 0.000 2.378 11 V HA 0.454 4.574 4.120 0.001 0.000 0.288 11 V C -0.335 175.746 176.094 -0.022 0.000 1.016 11 V CA -0.513 61.769 62.300 -0.030 0.000 0.840 11 V CB 2.020 33.833 31.823 -0.016 0.000 0.994 11 V HN 0.615 nan 8.190 nan 0.000 0.431 12 V N 6.842 126.744 119.914 -0.022 0.000 2.370 12 V HA 0.447 4.567 4.120 0.001 0.000 0.283 12 V C 0.093 176.187 176.094 0.001 0.000 1.023 12 V CA -0.392 61.896 62.300 -0.021 0.000 0.857 12 V CB 1.706 33.503 31.823 -0.042 0.000 0.985 12 V HN 0.670 nan 8.190 nan 0.000 0.443 13 I N 5.288 125.833 120.570 -0.042 0.000 2.269 13 I HA 0.647 4.817 4.170 0.001 0.000 0.293 13 I C 0.774 176.831 176.117 -0.099 0.000 1.106 13 I CA 0.210 61.464 61.300 -0.078 0.000 1.248 13 I CB 0.578 38.476 38.000 -0.169 0.000 1.444 13 I HN 0.848 nan 8.210 nan 0.000 0.497 14 G N 3.450 112.195 108.800 -0.092 0.000 2.653 14 G HA2 0.108 4.068 3.960 0.001 0.000 0.656 14 G HA3 0.108 4.068 3.960 0.001 0.000 0.656 14 G C -0.092 174.734 174.900 -0.124 0.000 1.419 14 G CA -0.500 44.516 45.100 -0.140 0.000 0.862 14 G HN 0.754 nan 8.290 nan 0.000 0.639 15 G N 0.125 108.831 108.800 -0.158 0.000 3.805 15 G HA2 0.644 4.604 3.960 0.001 0.000 0.290 15 G HA3 0.644 4.604 3.960 0.001 0.000 0.290 15 G C 0.873 175.675 174.900 -0.164 0.000 1.077 15 G CA 1.033 46.046 45.100 -0.145 0.000 0.852 15 G HN 1.242 nan 8.290 nan 0.000 0.531 16 G N -0.399 108.307 108.800 -0.156 0.000 2.509 16 G HA2 0.322 4.282 3.960 0.001 0.000 0.269 16 G HA3 0.322 4.282 3.960 0.001 0.000 0.269 16 G C 0.653 175.412 174.900 -0.234 0.000 1.416 16 G CA -0.368 44.606 45.100 -0.210 0.000 1.052 16 G HN 0.331 nan 8.290 nan 0.000 0.542 17 H N -0.607 118.501 119.070 0.064 0.000 2.421 17 H HA 0.049 4.606 4.556 0.001 0.000 0.298 17 H C 2.596 177.975 175.328 0.086 0.000 1.087 17 H CA 1.639 57.739 56.048 0.086 0.000 1.330 17 H CB 0.033 29.870 29.762 0.124 0.000 1.388 17 H HN 0.402 nan 8.280 nan 0.000 0.526 18 A N 0.375 123.296 122.820 0.168 0.000 1.898 18 A HA 0.049 4.369 4.320 0.001 0.000 0.214 18 A C 2.661 180.286 177.584 0.068 0.000 1.183 18 A CA 1.080 53.195 52.037 0.130 0.000 0.622 18 A CB -0.976 18.110 19.000 0.143 0.000 0.824 18 A HN 0.474 nan 8.150 nan 0.000 0.444 19 G N 0.214 109.029 108.800 0.026 0.000 2.422 19 G HA2 -0.177 3.784 3.960 0.001 0.000 0.218 19 G HA3 -0.177 3.784 3.960 0.001 0.000 0.218 19 G C 1.515 176.399 174.900 -0.027 0.000 1.146 19 G CA 1.140 46.231 45.100 -0.015 0.000 0.769 19 G HN 0.453 nan 8.290 nan 0.000 0.547 20 I N 0.518 121.069 120.570 -0.031 0.000 2.179 20 I HA -0.115 4.056 4.170 0.001 0.000 0.242 20 I C 2.693 178.807 176.117 -0.005 0.000 1.088 20 I CA 1.035 62.314 61.300 -0.034 0.000 1.357 20 I CB -0.132 37.844 38.000 -0.041 0.000 1.051 20 I HN 0.094 nan 8.210 nan 0.000 0.409 21 E N 0.943 121.161 120.200 0.030 0.000 2.150 21 E HA -0.151 4.200 4.350 0.001 0.000 0.193 21 E C 2.259 178.870 176.600 0.018 0.000 0.985 21 E CA 1.326 57.751 56.400 0.041 0.000 0.814 21 E CB -0.254 29.491 29.700 0.075 0.000 0.752 21 E HN 0.503 nan 8.360 nan 0.000 0.466 22 A N 1.468 124.294 122.820 0.009 0.000 1.872 22 A HA 0.018 4.338 4.320 0.001 0.000 0.214 22 A C 2.419 179.981 177.584 -0.037 0.000 1.187 22 A CA 1.806 53.833 52.037 -0.016 0.000 0.614 22 A CB -0.546 18.448 19.000 -0.010 0.000 0.826 22 A HN 0.257 nan 8.150 nan 0.000 0.442 23 A N -0.293 122.505 122.820 -0.038 0.000 1.898 23 A HA 0.004 4.325 4.320 0.001 0.000 0.216 23 A C 2.161 179.721 177.584 -0.041 0.000 1.181 23 A CA 1.435 53.443 52.037 -0.049 0.000 0.620 23 A CB -0.580 18.381 19.000 -0.066 0.000 0.819 23 A HN 0.456 nan 8.150 nan 0.000 0.442 24 L N -0.924 120.278 121.223 -0.035 0.000 2.093 24 L HA -0.147 4.194 4.340 0.001 0.000 0.208 24 L C 3.082 179.941 176.870 -0.019 0.000 1.085 24 L CA 0.915 55.736 54.840 -0.030 0.000 0.755 24 L CB -0.526 41.519 42.059 -0.024 0.000 0.904 24 L HN 0.442 nan 8.230 nan 0.000 0.435 25 A N 0.151 122.962 122.820 -0.015 0.000 1.873 25 A HA -0.145 4.176 4.320 0.001 0.000 0.215 25 A C 2.533 180.110 177.584 -0.013 0.000 1.186 25 A CA 1.689 53.719 52.037 -0.012 0.000 0.616 25 A CB -0.721 18.271 19.000 -0.013 0.000 0.823 25 A HN 0.374 nan 8.150 nan 0.000 0.442 26 A N -0.209 122.592 122.820 -0.032 0.000 1.902 26 A HA 0.177 4.497 4.320 0.001 0.000 0.217 26 A C 2.494 180.095 177.584 0.028 0.000 1.181 26 A CA 2.092 54.108 52.037 -0.035 0.000 0.623 26 A CB -0.982 17.972 19.000 -0.078 0.000 0.818 26 A HN 1.035 nan 8.150 nan 0.000 0.443 27 A N -0.224 122.609 122.820 0.021 0.000 1.898 27 A HA -0.134 4.186 4.320 0.001 0.000 0.216 27 A C 2.208 179.816 177.584 0.040 0.000 1.181 27 A CA 1.472 53.534 52.037 0.040 0.000 0.620 27 A CB -0.426 18.576 19.000 0.004 0.000 0.819 27 A HN 0.528 nan 8.150 nan 0.000 0.442 28 R N -1.160 119.350 120.500 0.017 0.000 2.189 28 R HA 0.092 4.433 4.340 0.001 0.000 0.223 28 R C 1.623 177.943 176.300 0.034 0.000 1.092 28 R CA 1.201 57.306 56.100 0.008 0.000 0.989 28 R CB -0.247 30.045 30.300 -0.013 0.000 0.876 28 R HN 0.518 nan 8.270 nan 0.000 0.457 29 M N -0.865 118.780 119.600 0.076 0.000 2.561 29 M HA 0.133 4.613 4.480 0.001 0.000 0.238 29 M C 0.759 177.190 176.300 0.218 0.000 1.131 29 M CA 0.604 55.988 55.300 0.139 0.000 1.046 29 M CB 1.040 33.746 32.600 0.176 0.000 1.532 29 M HN 0.445 nan 8.290 nan 0.000 0.497 30 G N 0.333 109.238 108.800 0.175 0.000 2.176 30 G HA2 -0.176 3.784 3.960 0.001 0.000 0.232 30 G HA3 -0.176 3.784 3.960 0.001 0.000 0.232 30 G C 0.122 175.215 174.900 0.322 0.000 0.986 30 G CA -0.067 45.130 45.100 0.163 0.000 0.643 30 G HN 0.638 nan 8.290 nan 0.000 0.522 31 A N 0.151 123.222 122.820 0.418 0.000 2.366 31 A HA 0.690 5.011 4.320 0.001 0.000 0.272 31 A C 0.512 178.237 177.584 0.234 0.000 1.135 31 A CA 0.466 52.713 52.037 0.351 0.000 0.804 31 A CB 0.533 19.581 19.000 0.080 0.000 1.064 31 A HN 0.864 nan 8.150 nan 0.000 0.499 32 K N 2.359 122.912 120.400 0.256 0.000 2.351 32 K HA 0.241 4.561 4.320 0.001 0.000 0.287 32 K C -0.554 176.271 176.600 0.375 0.000 1.068 32 K CA 0.729 57.203 56.287 0.311 0.000 0.998 32 K CB -0.198 32.442 32.500 0.234 0.000 0.968 32 K HN 0.578 nan 8.250 nan 0.000 0.464 33 T N 3.096 117.859 114.554 0.349 0.000 2.829 33 T HA 0.675 5.025 4.350 0.001 0.000 0.280 33 T C -1.032 173.687 174.700 0.032 0.000 0.999 33 T CA -0.747 61.457 62.100 0.173 0.000 0.983 33 T CB 1.733 70.635 68.868 0.058 0.000 0.968 33 T HN 0.598 nan 8.240 nan 0.000 0.446 34 A N 3.502 126.094 122.820 -0.379 0.000 2.318 34 A HA 0.777 5.098 4.320 0.001 0.000 0.317 34 A C -0.382 176.952 177.584 -0.418 0.000 1.159 34 A CA -0.767 50.832 52.037 -0.730 0.000 0.799 34 A CB 0.883 18.831 19.000 -1.753 0.000 1.194 34 A HN 0.889 nan 8.150 nan 0.000 0.479 35 M N 3.778 123.147 119.600 -0.385 0.000 2.044 35 M HA 0.538 5.018 4.480 0.001 0.000 0.333 35 M C -1.868 174.236 176.300 -0.327 0.000 1.004 35 M CA -0.392 54.763 55.300 -0.243 0.000 0.954 35 M CB 0.031 32.524 32.600 -0.179 0.000 1.468 35 M HN 0.611 nan 8.290 nan 0.000 0.414 36 F N 3.731 123.532 119.950 -0.249 0.000 2.375 36 F HA 0.644 5.171 4.527 0.001 0.000 0.333 36 F C 0.100 175.779 175.800 -0.202 0.000 1.104 36 F CA -0.174 57.687 58.000 -0.231 0.000 1.149 36 F CB 1.454 40.311 39.000 -0.238 0.000 1.190 36 F HN 0.352 nan 8.300 nan 0.000 0.533 37 V N 4.571 124.468 119.914 -0.028 0.000 3.048 37 V HA 0.297 4.417 4.120 0.001 0.000 0.303 37 V C -0.134 175.908 176.094 -0.086 0.000 1.214 37 V CA -0.713 61.523 62.300 -0.107 0.000 0.984 37 V CB 2.192 33.932 31.823 -0.137 0.000 1.054 37 V HN 0.731 nan 8.190 nan 0.000 0.430 38 L N 2.494 123.635 121.223 -0.137 0.000 2.109 38 L HA 0.202 4.543 4.340 0.001 0.000 0.207 38 L C 0.849 177.699 176.870 -0.033 0.000 1.086 38 L CA 1.056 55.854 54.840 -0.071 0.000 0.760 38 L CB -0.023 41.990 42.059 -0.076 0.000 0.910 38 L HN 0.724 nan 8.230 nan 0.000 0.437 39 N N -0.465 118.206 118.700 -0.048 0.000 2.519 39 N HA 0.253 4.994 4.740 0.001 0.000 0.286 39 N C 0.331 175.814 175.510 -0.044 0.000 1.079 39 N CA 0.197 53.234 53.050 -0.021 0.000 0.878 39 N CB 1.992 40.488 38.487 0.014 0.000 1.375 39 N HN -0.015 nan 8.380 nan 0.000 0.514 40 A N 2.550 125.340 122.820 -0.050 0.000 2.076 40 A HA -0.129 4.192 4.320 0.001 0.000 0.220 40 A C 1.125 178.678 177.584 -0.052 0.000 1.160 40 A CA 1.313 53.310 52.037 -0.065 0.000 0.653 40 A CB -0.057 18.902 19.000 -0.068 0.000 0.801 40 A HN 0.702 nan 8.150 nan 0.000 0.455 41 D N -0.744 119.638 120.400 -0.031 0.000 2.355 41 D HA -0.037 4.604 4.640 0.001 0.000 0.218 41 D C 1.533 177.827 176.300 -0.010 0.000 1.004 41 D CA 1.457 55.446 54.000 -0.019 0.000 0.880 41 D CB -0.101 40.695 40.800 -0.006 0.000 0.911 41 D HN 0.644 nan 8.370 nan 0.000 0.528 42 T N -1.948 112.598 114.554 -0.014 0.000 3.105 42 T HA 0.219 4.569 4.350 0.001 0.000 0.253 42 T C 1.013 175.692 174.700 -0.034 0.000 1.047 42 T CA -0.375 61.725 62.100 0.001 0.000 0.944 42 T CB -0.113 68.775 68.868 0.034 0.000 1.016 42 T HN -0.039 nan 8.240 nan 0.000 0.544 43 I N 2.395 122.928 120.570 -0.061 0.000 2.741 43 I HA 0.285 4.455 4.170 0.001 0.000 0.288 43 I C 1.559 177.625 176.117 -0.086 0.000 1.192 43 I CA 1.202 62.446 61.300 -0.092 0.000 1.426 43 I CB 0.050 37.991 38.000 -0.099 0.000 1.367 43 I HN 0.576 nan 8.210 nan 0.000 0.563 44 G N 4.315 113.031 108.800 -0.139 0.000 2.143 44 G HA2 -0.307 3.653 3.960 0.001 0.000 0.248 44 G HA3 -0.307 3.653 3.960 0.001 0.000 0.248 44 G C 0.223 175.106 174.900 -0.028 0.000 0.991 44 G CA 0.024 45.050 45.100 -0.123 0.000 0.689 44 G HN 0.701 nan 8.290 nan 0.000 0.522 45 Q N -0.173 119.594 119.800 -0.055 0.000 2.313 45 Q HA 0.576 4.917 4.340 0.001 0.000 0.266 45 Q C 0.654 176.681 176.000 0.044 0.000 0.989 45 Q CA -0.238 55.583 55.803 0.030 0.000 0.890 45 Q CB 0.231 29.004 28.738 0.059 0.000 1.200 45 Q HN 0.450 nan 8.270 nan 0.000 0.396 46 M N 3.305 122.905 119.600 -0.001 0.000 2.069 46 M HA 0.173 4.653 4.480 0.001 0.000 0.349 46 M C 0.201 176.562 176.300 0.102 0.000 1.194 46 M CA -0.212 54.999 55.300 -0.147 0.000 1.081 46 M CB 1.306 33.679 32.600 -0.378 0.000 1.500 46 M HN 0.614 nan 8.290 nan 0.000 0.438 47 S N 0.612 116.461 115.700 0.248 0.000 2.548 47 S HA 0.047 4.517 4.470 0.001 0.000 0.215 47 S C 0.625 175.384 174.600 0.266 0.000 0.976 47 S CA -0.341 58.013 58.200 0.256 0.000 0.908 47 S CB 0.167 63.523 63.200 0.260 0.000 0.781 47 S HN 0.861 nan 8.310 nan 0.000 0.519 48 C N 0.924 120.408 119.300 0.306 0.000 3.570 48 C HA 0.422 4.882 4.460 0.001 0.000 0.117 48 C C 0.385 175.358 174.990 -0.030 0.000 2.588 48 C CA -0.967 58.176 59.018 0.209 0.000 1.911 48 C CB -0.237 27.533 27.740 0.050 0.000 3.282 48 C HN 0.533 nan 8.230 nan 0.000 0.406 49 N N 1.184 119.662 118.700 -0.370 0.000 2.454 49 N HA 0.117 4.858 4.740 0.001 0.000 0.260 49 N C -2.389 172.845 175.510 -0.460 0.000 1.218 49 N CA -0.496 51.973 53.050 -0.968 0.000 0.904 49 N CB 0.776 38.919 38.487 -0.572 0.000 1.065 49 N HN 0.292 nan 8.380 nan 0.000 0.462 50 P HA 0.158 nan 4.420 nan 0.000 0.246 50 P C -1.363 175.808 177.300 -0.215 0.000 1.686 50 P CA 0.066 63.024 63.100 -0.236 0.000 0.867 50 P CB 0.255 31.852 31.700 -0.172 0.000 1.733 51 A N 0.529 123.232 122.820 -0.195 0.000 2.469 51 A HA 0.789 5.109 4.320 0.001 0.000 0.299 51 A C -1.170 176.310 177.584 -0.173 0.000 1.098 51 A CA -0.571 51.345 52.037 -0.202 0.000 0.737 51 A CB 1.453 20.329 19.000 -0.206 0.000 1.312 51 A HN -0.058 nan 8.150 nan 0.000 0.414 52 I N 1.082 121.513 120.570 -0.232 0.000 2.499 52 I HA 0.676 4.846 4.170 0.001 0.000 0.288 52 I C 0.618 176.604 176.117 -0.219 0.000 1.048 52 I CA 0.696 61.831 61.300 -0.275 0.000 1.062 52 I CB 0.745 38.461 38.000 -0.474 0.000 1.238 52 I HN 1.439 nan 8.210 nan 0.000 0.426 53 G N 4.027 112.775 108.800 -0.087 0.000 2.466 53 G HA2 0.437 4.397 3.960 0.001 0.000 0.316 53 G HA3 0.437 4.397 3.960 0.001 0.000 0.316 53 G C -0.328 174.577 174.900 0.009 0.000 1.270 53 G CA 0.111 45.278 45.100 0.112 0.000 0.982 53 G HN 1.593 nan 8.290 nan 0.000 0.506 54 G N -2.329 106.477 108.800 0.010 0.000 2.315 54 G HA2 0.413 4.374 3.960 0.001 0.000 0.296 54 G HA3 0.413 4.374 3.960 0.001 0.000 0.296 54 G C 0.772 175.624 174.900 -0.081 0.000 1.289 54 G CA 0.174 45.236 45.100 -0.064 0.000 0.996 54 G HN 1.550 nan 8.290 nan 0.000 0.487 55 I N 0.588 121.097 120.570 -0.102 0.000 2.065 55 I HA -0.228 3.942 4.170 0.001 0.000 0.236 55 I C 3.162 179.192 176.117 -0.144 0.000 1.028 55 I CA 3.386 64.623 61.300 -0.105 0.000 1.299 55 I CB -1.601 36.343 38.000 -0.094 0.000 1.015 55 I HN 0.998 nan 8.210 nan 0.000 0.396 56 A N -0.501 122.214 122.820 -0.175 0.000 2.035 56 A HA -0.009 4.311 4.320 0.001 0.000 0.208 56 A C 2.187 179.575 177.584 -0.327 0.000 1.206 56 A CA 0.235 52.027 52.037 -0.409 0.000 0.773 56 A CB -0.177 18.498 19.000 -0.543 0.000 0.878 56 A HN 0.305 nan 8.150 nan 0.000 0.469 57 K N 0.151 120.457 120.400 -0.158 0.000 2.044 57 K HA -0.138 4.183 4.320 0.001 0.000 0.210 57 K C 2.004 178.591 176.600 -0.021 0.000 1.049 57 K CA 1.477 57.717 56.287 -0.078 0.000 0.927 57 K CB -0.500 31.967 32.500 -0.054 0.000 0.713 57 K HN 0.425 nan 8.250 nan 0.000 0.443 58 G N 1.345 110.150 108.800 0.009 0.000 2.442 58 G HA2 -0.243 3.717 3.960 0.001 0.000 0.219 58 G HA3 -0.243 3.717 3.960 0.001 0.000 0.219 58 G C 1.502 176.413 174.900 0.018 0.000 1.141 58 G CA 0.913 46.088 45.100 0.124 0.000 0.763 58 G HN 0.182 nan 8.290 nan 0.000 0.554 59 I N 0.148 120.659 120.570 -0.098 0.000 2.353 59 I HA -0.103 4.068 4.170 0.001 0.000 0.248 59 I C 2.691 178.783 176.117 -0.041 0.000 1.119 59 I CA 0.273 61.505 61.300 -0.113 0.000 1.417 59 I CB -0.171 37.739 38.000 -0.150 0.000 1.078 59 I HN 0.013 nan 8.210 nan 0.000 0.421 60 V N 0.626 120.521 119.914 -0.031 0.000 2.407 60 V HA -0.220 3.901 4.120 0.001 0.000 0.248 60 V C 2.432 178.572 176.094 0.078 0.000 1.055 60 V CA 1.426 63.751 62.300 0.042 0.000 1.049 60 V CB -0.210 31.639 31.823 0.043 0.000 0.662 60 V HN 0.238 nan 8.190 nan 0.000 0.455 61 V N -0.376 119.599 119.914 0.102 0.000 2.358 61 V HA -0.194 3.927 4.120 0.001 0.000 0.246 61 V C 2.653 178.847 176.094 0.167 0.000 1.047 61 V CA 1.686 64.081 62.300 0.159 0.000 1.035 61 V CB -0.777 31.195 31.823 0.247 0.000 0.658 61 V HN 0.424 nan 8.190 nan 0.000 0.452 62 R N 0.239 120.805 120.500 0.109 0.000 2.105 62 R HA -0.158 4.182 4.340 0.001 0.000 0.239 62 R C 2.169 178.503 176.300 0.058 0.000 1.135 62 R CA 1.499 57.615 56.100 0.026 0.000 0.967 62 R CB -0.427 29.768 30.300 -0.175 0.000 0.861 62 R HN 0.673 nan 8.270 nan 0.000 0.442 63 E N 0.169 120.402 120.200 0.054 0.000 2.072 63 E HA -0.068 4.282 4.350 0.001 0.000 0.190 63 E C 2.156 178.817 176.600 0.102 0.000 0.982 63 E CA 0.665 57.104 56.400 0.065 0.000 0.803 63 E CB -0.117 29.619 29.700 0.061 0.000 0.755 63 E HN 0.269 nan 8.360 nan 0.000 0.453 64 I N 1.610 122.250 120.570 0.116 0.000 2.208 64 I HA -0.284 3.886 4.170 0.001 0.000 0.245 64 I C 2.315 178.532 176.117 0.166 0.000 1.097 64 I CA 1.512 62.889 61.300 0.129 0.000 1.363 64 I CB -0.209 37.870 38.000 0.132 0.000 1.051 64 I HN 0.088 nan 8.210 nan 0.000 0.413 65 D N 0.783 121.304 120.400 0.201 0.000 2.144 65 D HA -0.159 4.482 4.640 0.001 0.000 0.199 65 D C 2.111 178.646 176.300 0.393 0.000 0.984 65 D CA 1.335 55.512 54.000 0.295 0.000 0.834 65 D CB 0.112 41.086 40.800 0.290 0.000 0.955 65 D HN 0.311 nan 8.370 nan 0.000 0.465 66 A N -0.218 122.762 122.820 0.266 0.000 2.014 66 A HA 0.024 4.345 4.320 0.001 0.000 0.218 66 A C 2.203 179.934 177.584 0.244 0.000 1.163 66 A CA 0.572 52.767 52.037 0.263 0.000 0.652 66 A CB -0.517 18.544 19.000 0.102 0.000 0.808 66 A HN 0.368 nan 8.150 nan 0.000 0.449 67 L N -1.707 119.619 121.223 0.171 0.000 2.418 67 L HA 0.149 4.489 4.340 0.001 0.000 0.218 67 L C 1.599 178.523 176.870 0.090 0.000 1.125 67 L CA 0.762 55.666 54.840 0.108 0.000 0.835 67 L CB 0.006 42.112 42.059 0.079 0.000 0.953 67 L HN 0.594 nan 8.230 nan 0.000 0.454 68 G N -0.514 108.363 108.800 0.128 0.000 2.148 68 G HA2 -0.154 3.806 3.960 0.001 0.000 0.157 68 G HA3 -0.154 3.806 3.960 0.001 0.000 0.157 68 G C 0.387 175.324 174.900 0.061 0.000 1.012 68 G CA -0.332 44.798 45.100 0.050 0.000 0.677 68 G HN 0.458 nan 8.290 nan 0.000 0.506 69 G N -0.918 107.949 108.800 0.111 0.000 2.563 69 G HA2 0.557 4.517 3.960 0.001 0.000 0.283 69 G HA3 0.557 4.517 3.960 0.001 0.000 0.283 69 G C 0.599 175.576 174.900 0.128 0.000 1.309 69 G CA 0.220 45.383 45.100 0.104 0.000 1.022 69 G HN 0.065 nan 8.290 nan 0.000 0.501 70 E N -0.676 119.597 120.200 0.122 0.000 2.290 70 E HA 0.007 4.358 4.350 0.001 0.000 0.197 70 E C 2.342 179.029 176.600 0.145 0.000 0.948 70 E CA -0.123 56.366 56.400 0.148 0.000 0.895 70 E CB -0.079 29.703 29.700 0.137 0.000 0.865 70 E HN 0.551 nan 8.360 nan 0.000 0.486 71 M N 0.759 120.443 119.600 0.141 0.000 2.147 71 M HA -0.231 4.249 4.480 0.001 0.000 0.253 71 M C 2.019 178.383 176.300 0.107 0.000 1.075 71 M CA 2.475 57.863 55.300 0.147 0.000 1.085 71 M CB -0.484 32.213 32.600 0.162 0.000 1.305 71 M HN 0.155 nan 8.290 nan 0.000 0.409 72 G N 0.106 108.993 108.800 0.145 0.000 2.459 72 G HA2 -0.259 3.701 3.960 0.001 0.000 0.217 72 G HA3 -0.259 3.701 3.960 0.001 0.000 0.217 72 G C 1.445 176.433 174.900 0.147 0.000 1.183 72 G CA 1.326 46.538 45.100 0.186 0.000 0.776 72 G HN 0.541 nan 8.290 nan 0.000 0.552 73 K N 0.773 121.256 120.400 0.138 0.000 2.063 73 K HA 0.005 4.326 4.320 0.001 0.000 0.208 73 K C 2.949 179.418 176.600 -0.218 0.000 1.048 73 K CA 1.007 57.341 56.287 0.078 0.000 0.928 73 K CB -0.290 32.325 32.500 0.192 0.000 0.713 73 K HN 0.281 nan 8.250 nan 0.000 0.442 74 A N 1.730 124.332 122.820 -0.364 0.000 1.865 74 A HA -0.201 4.120 4.320 0.001 0.000 0.217 74 A C 2.192 179.536 177.584 -0.400 0.000 1.191 74 A CA 1.592 53.108 52.037 -0.869 0.000 0.623 74 A CB -0.553 18.074 19.000 -0.622 0.000 0.826 74 A HN 0.287 nan 8.150 nan 0.000 0.444 75 I N 0.026 120.580 120.570 -0.027 0.000 2.394 75 I HA -0.152 4.018 4.170 0.001 0.000 0.251 75 I C 1.319 177.602 176.117 0.276 0.000 1.136 75 I CA 1.732 63.093 61.300 0.102 0.000 1.425 75 I CB -0.383 37.547 38.000 -0.117 0.000 1.079 75 I HN 0.242 nan 8.210 nan 0.000 0.425 76 D N -0.052 120.516 120.400 0.280 0.000 2.144 76 D HA -0.187 4.453 4.640 0.001 0.000 0.199 76 D C 2.092 178.581 176.300 0.315 0.000 0.984 76 D CA 1.066 55.326 54.000 0.433 0.000 0.834 76 D CB -0.048 40.912 40.800 0.267 0.000 0.955 76 D HN 0.360 nan 8.370 nan 0.000 0.465 77 Q N -1.081 118.763 119.800 0.074 0.000 2.354 77 Q HA 0.059 4.399 4.340 0.001 0.000 0.203 77 Q C 1.551 177.579 176.000 0.046 0.000 0.933 77 Q CA 1.050 56.870 55.803 0.028 0.000 0.901 77 Q CB 0.370 29.058 28.738 -0.083 0.000 1.007 77 Q HN 0.375 nan 8.270 nan 0.000 0.495 78 T N -4.409 110.173 114.554 0.048 0.000 3.040 78 T HA 0.348 4.698 4.350 0.001 0.000 0.266 78 T C 0.810 175.570 174.700 0.100 0.000 1.005 78 T CA -0.009 62.138 62.100 0.078 0.000 0.906 78 T CB 0.346 69.257 68.868 0.072 0.000 1.082 78 T HN 0.114 nan 8.240 nan 0.000 0.531 79 G N 1.918 110.828 108.800 0.183 0.000 2.442 79 G HA2 0.511 4.471 3.960 0.001 0.000 0.249 79 G HA3 0.511 4.471 3.960 0.001 0.000 0.249 79 G C 0.708 175.583 174.900 -0.041 0.000 1.263 79 G CA -0.667 44.398 45.100 -0.059 0.000 0.846 79 G HN 0.681 nan 8.290 nan 0.000 0.555 80 I N -2.000 118.451 120.570 -0.198 0.000 4.082 80 I HA 0.434 4.604 4.170 0.001 0.000 0.337 80 I C 0.202 176.254 176.117 -0.108 0.000 1.352 80 I CA -0.180 61.075 61.300 -0.075 0.000 1.097 80 I CB 0.388 38.361 38.000 -0.044 0.000 1.048 80 I HN 0.394 nan 8.210 nan 0.000 0.393 81 Q N 1.555 121.156 119.800 -0.332 0.000 2.378 81 Q HA 0.464 4.804 4.340 0.001 0.000 0.262 81 Q C -2.246 173.495 176.000 -0.431 0.000 0.978 81 Q CA -0.450 55.232 55.803 -0.201 0.000 0.918 81 Q CB 2.429 31.084 28.738 -0.138 0.000 1.415 81 Q HN 0.234 nan 8.270 nan 0.000 0.409 82 F N 2.666 122.669 119.950 0.089 0.000 2.556 82 F HA 0.603 5.130 4.527 0.000 0.000 0.314 82 F C -0.174 175.682 175.800 0.093 0.000 1.106 82 F CA -0.504 57.582 58.000 0.144 0.000 0.911 82 F CB 1.923 41.070 39.000 0.245 0.000 1.190 82 F HN 0.470 nan 8.300 nan 0.000 0.448 83 K N 1.003 121.530 120.400 0.211 0.000 2.578 83 K HA 0.813 5.133 4.320 0.001 0.000 0.287 83 K C -1.922 174.707 176.600 0.047 0.000 1.010 83 K CA -1.123 55.241 56.287 0.128 0.000 0.889 83 K CB 2.300 34.849 32.500 0.081 0.000 1.514 83 K HN 0.517 nan 8.250 nan 0.000 0.424 84 M N 2.036 121.663 119.600 0.045 0.000 2.336 84 M HA 0.434 4.914 4.480 0.001 0.000 0.342 84 M C -1.525 174.773 176.300 -0.003 0.000 1.128 84 M CA -0.920 54.376 55.300 -0.006 0.000 1.016 84 M CB 1.384 34.011 32.600 0.046 0.000 1.665 84 M HN 0.638 nan 8.290 nan 0.000 0.445 85 L N 4.024 125.226 121.223 -0.036 0.000 2.343 85 L HA 0.450 4.790 4.340 0.001 0.000 0.275 85 L C 0.211 177.063 176.870 -0.029 0.000 1.056 85 L CA -0.829 53.988 54.840 -0.038 0.000 0.804 85 L CB 0.962 42.981 42.059 -0.066 0.000 1.203 85 L HN 0.872 nan 8.230 nan 0.000 0.440 86 N N -0.031 118.657 118.700 -0.021 0.000 2.756 86 N HA -0.155 4.585 4.740 0.001 0.000 0.248 86 N C 0.726 176.238 175.510 0.004 0.000 1.062 86 N CA 1.049 54.091 53.050 -0.013 0.000 0.696 86 N CB -0.813 37.659 38.487 -0.025 0.000 0.946 86 N HN 0.899 nan 8.380 nan 0.000 0.548 87 T N -2.925 111.639 114.554 0.016 0.000 3.215 87 T HA -0.048 4.303 4.350 0.001 0.000 0.254 87 T C 1.234 175.949 174.700 0.026 0.000 1.149 87 T CA 0.611 62.730 62.100 0.032 0.000 1.042 87 T CB -0.033 68.862 68.868 0.046 0.000 0.966 87 T HN 0.549 nan 8.240 nan 0.000 0.534 88 R N 0.662 121.172 120.500 0.017 0.000 2.577 88 R HA 0.330 4.670 4.340 0.001 0.000 0.344 88 R C 0.241 176.547 176.300 0.010 0.000 1.037 88 R CA -0.547 55.560 56.100 0.012 0.000 1.102 88 R CB -0.005 30.300 30.300 0.009 0.000 1.313 88 R HN 0.267 nan 8.270 nan 0.000 0.561 89 K N 1.133 121.541 120.400 0.015 0.000 2.826 89 K HA 0.252 4.573 4.320 0.001 0.000 0.206 89 K C -0.398 176.223 176.600 0.035 0.000 1.116 89 K CA 0.155 56.451 56.287 0.015 0.000 1.045 89 K CB 1.705 34.209 32.500 0.005 0.000 0.758 89 K HN 0.369 nan 8.250 nan 0.000 0.465 90 G N 2.051 110.883 108.800 0.053 0.000 2.999 90 G HA2 -0.240 3.720 3.960 0.001 0.000 0.686 90 G HA3 -0.240 3.720 3.960 0.001 0.000 0.686 90 G C 0.116 175.094 174.900 0.130 0.000 1.057 90 G CA -0.738 44.434 45.100 0.121 0.000 0.784 90 G HN 0.257 nan 8.290 nan 0.000 0.575 91 K N 1.076 121.578 120.400 0.170 0.000 2.362 91 K HA -0.097 4.223 4.320 0.001 0.000 0.202 91 K C 2.781 179.382 176.600 0.002 0.000 1.045 91 K CA 1.729 58.087 56.287 0.117 0.000 0.936 91 K CB -0.067 32.535 32.500 0.169 0.000 0.747 91 K HN 0.822 nan 8.250 nan 0.000 0.467 92 A N 1.118 123.870 122.820 -0.113 0.000 2.014 92 A HA -0.075 4.245 4.320 0.001 0.000 0.218 92 A C 2.109 179.570 177.584 -0.204 0.000 1.163 92 A CA 1.329 53.136 52.037 -0.384 0.000 0.652 92 A CB -0.231 18.155 19.000 -1.023 0.000 0.808 92 A HN 0.202 nan 8.150 nan 0.000 0.449 93 V N -2.829 117.019 119.914 -0.112 0.000 3.542 93 V HA 0.185 4.306 4.120 0.001 0.000 0.296 93 V C 0.469 176.527 176.094 -0.060 0.000 1.364 93 V CA -0.249 62.008 62.300 -0.072 0.000 1.118 93 V CB -0.967 30.829 31.823 -0.044 0.000 0.972 93 V HN 0.482 nan 8.190 nan 0.000 0.430 94 Q N 1.075 120.840 119.800 -0.060 0.000 2.354 94 Q HA 0.598 4.938 4.340 0.001 0.000 0.244 94 Q C -0.241 175.697 176.000 -0.104 0.000 0.969 94 Q CA 0.198 55.965 55.803 -0.060 0.000 0.885 94 Q CB 1.429 30.150 28.738 -0.027 0.000 1.241 94 Q HN 0.523 nan 8.270 nan 0.000 0.461 95 S N 1.636 117.267 115.700 -0.114 0.000 2.572 95 S HA 0.482 4.952 4.470 0.001 0.000 0.274 95 S C -2.704 171.800 174.600 -0.161 0.000 1.150 95 S CA -1.528 56.581 58.200 -0.151 0.000 0.944 95 S CB 1.217 64.341 63.200 -0.126 0.000 1.071 95 S HN 0.265 nan 8.310 nan 0.000 0.479 96 P HA 0.370 nan 4.420 nan 0.000 0.271 96 P C -1.072 176.224 177.300 -0.007 0.000 1.218 96 P CA -0.252 62.644 63.100 -0.340 0.000 0.780 96 P CB 0.389 31.513 31.700 -0.960 0.000 0.901 97 R N 1.545 122.121 120.500 0.126 0.000 2.548 97 R HA 0.747 5.088 4.340 0.001 0.000 0.280 97 R C -1.921 174.510 176.300 0.219 0.000 1.061 97 R CA -0.682 55.556 56.100 0.230 0.000 0.915 97 R CB 1.465 31.777 30.300 0.020 0.000 1.210 97 R HN 0.541 nan 8.270 nan 0.000 0.442 98 A N 3.162 126.057 122.820 0.125 0.000 2.454 98 A HA 0.528 4.848 4.320 0.001 0.000 0.302 98 A C -1.358 176.059 177.584 -0.279 0.000 1.079 98 A CA -0.793 51.137 52.037 -0.179 0.000 0.731 98 A CB 2.165 20.965 19.000 -0.334 0.000 1.299 98 A HN 0.563 nan 8.150 nan 0.000 0.413 99 Q N 0.450 120.046 119.800 -0.341 0.000 2.257 99 Q HA 0.612 4.952 4.340 0.001 0.000 0.255 99 Q C -0.235 175.599 176.000 -0.277 0.000 0.920 99 Q CA -0.164 55.489 55.803 -0.249 0.000 0.927 99 Q CB 1.857 30.488 28.738 -0.178 0.000 1.229 99 Q HN 0.874 nan 8.270 nan 0.000 0.433 100 A N 2.159 124.850 122.820 -0.214 0.000 2.340 100 A HA 0.290 4.610 4.320 0.001 0.000 0.331 100 A C -0.420 177.115 177.584 -0.081 0.000 1.140 100 A CA -0.651 51.289 52.037 -0.162 0.000 0.801 100 A CB 0.821 19.688 19.000 -0.222 0.000 1.234 100 A HN 0.649 nan 8.150 nan 0.000 0.469 101 D N 1.937 122.328 120.400 -0.015 0.000 2.402 101 D HA 0.106 4.746 4.640 0.001 0.000 0.235 101 D C 0.882 177.215 176.300 0.053 0.000 1.226 101 D CA 0.019 54.032 54.000 0.021 0.000 0.918 101 D CB 0.493 41.317 40.800 0.041 0.000 1.043 101 D HN 0.546 nan 8.370 nan 0.000 0.506 102 K N 2.661 123.075 120.400 0.024 0.000 2.077 102 K HA -0.236 4.085 4.320 0.001 0.000 0.213 102 K C 1.894 178.553 176.600 0.098 0.000 1.051 102 K CA 1.254 57.563 56.287 0.036 0.000 0.929 102 K CB 0.127 32.641 32.500 0.024 0.000 0.715 102 K HN 0.333 nan 8.250 nan 0.000 0.451 103 K N 0.967 121.416 120.400 0.081 0.000 2.002 103 K HA -0.169 4.152 4.320 0.001 0.000 0.209 103 K C 2.200 178.857 176.600 0.095 0.000 1.048 103 K CA 1.471 57.806 56.287 0.080 0.000 0.930 103 K CB 0.012 32.548 32.500 0.061 0.000 0.714 103 K HN -0.072 nan 8.250 nan 0.000 0.438 104 R N -0.338 120.220 120.500 0.098 0.000 2.096 104 R HA -0.136 4.205 4.340 0.001 0.000 0.235 104 R C 2.141 178.522 176.300 0.136 0.000 1.127 104 R CA 1.399 57.561 56.100 0.103 0.000 0.968 104 R CB -0.916 29.438 30.300 0.089 0.000 0.861 104 R HN 0.381 nan 8.270 nan 0.000 0.440 105 Y N 0.810 121.127 120.300 0.029 0.000 2.145 105 Y HA -0.199 4.351 4.550 0.001 0.000 0.286 105 Y C 2.429 178.367 175.900 0.064 0.000 1.145 105 Y CA 1.653 59.768 58.100 0.025 0.000 1.148 105 Y CB -0.020 38.417 38.460 -0.038 0.000 0.981 105 Y HN -0.069 nan 8.280 nan 0.000 0.507 106 R N 0.471 121.101 120.500 0.216 0.000 2.073 106 R HA -0.200 4.140 4.340 0.001 0.000 0.234 106 R C 2.155 178.471 176.300 0.026 0.000 1.134 106 R CA 2.126 58.294 56.100 0.113 0.000 0.952 106 R CB -0.299 30.058 30.300 0.095 0.000 0.850 106 R HN 0.505 nan 8.270 nan 0.000 0.433 107 E N -0.811 119.413 120.200 0.040 0.000 2.085 107 E HA -0.261 4.089 4.350 0.001 0.000 0.194 107 E C 1.792 178.380 176.600 -0.020 0.000 0.994 107 E CA 1.624 58.030 56.400 0.009 0.000 0.801 107 E CB -0.284 29.433 29.700 0.028 0.000 0.743 107 E HN 0.386 nan 8.360 nan 0.000 0.453 108 Y N 0.872 121.103 120.300 -0.115 0.000 2.097 108 Y HA -0.296 4.254 4.550 0.001 0.000 0.282 108 Y C 2.235 178.027 175.900 -0.178 0.000 1.152 108 Y CA 1.662 59.673 58.100 -0.148 0.000 1.136 108 Y CB -0.028 38.310 38.460 -0.204 0.000 0.975 108 Y HN -0.003 nan 8.280 nan 0.000 0.498 109 M N 0.129 119.684 119.600 -0.076 0.000 2.159 109 M HA -0.164 4.316 4.480 0.001 0.000 0.263 109 M C 2.150 178.351 176.300 -0.164 0.000 1.063 109 M CA 1.719 56.939 55.300 -0.134 0.000 1.110 109 M CB -1.066 31.455 32.600 -0.131 0.000 1.374 109 M HN 0.191 nan 8.290 nan 0.000 0.411 110 K N 0.752 121.072 120.400 -0.133 0.000 2.057 110 K HA -0.128 4.193 4.320 0.001 0.000 0.206 110 K C 1.983 178.491 176.600 -0.153 0.000 1.050 110 K CA 1.534 57.748 56.287 -0.123 0.000 0.935 110 K CB -0.267 32.182 32.500 -0.086 0.000 0.715 110 K HN 0.220 nan 8.250 nan 0.000 0.439 111 K N -0.171 120.117 120.400 -0.186 0.000 2.026 111 K HA -0.096 4.225 4.320 0.001 0.000 0.208 111 K C 1.820 178.274 176.600 -0.244 0.000 1.048 111 K CA 1.501 57.665 56.287 -0.204 0.000 0.929 111 K CB -0.079 32.288 32.500 -0.222 0.000 0.713 111 K HN 0.022 nan 8.250 nan 0.000 0.439 112 V N 0.810 120.521 119.914 -0.338 0.000 2.295 112 V HA -0.329 3.792 4.120 0.001 0.000 0.246 112 V C 2.483 178.461 176.094 -0.194 0.000 1.049 112 V CA 1.763 63.885 62.300 -0.298 0.000 1.024 112 V CB -0.425 31.183 31.823 -0.358 0.000 0.648 112 V HN 0.527 nan 8.190 nan 0.000 0.447 113 C N -0.324 118.872 119.300 -0.174 0.000 2.429 113 C HA -0.131 4.329 4.460 0.001 0.000 0.277 113 C C 2.658 177.560 174.990 -0.147 0.000 1.262 113 C CA 0.842 59.774 59.018 -0.143 0.000 1.733 113 C CB -0.992 26.669 27.740 -0.131 0.000 2.010 113 C HN 0.609 nan 8.230 nan 0.000 0.483 114 E N 0.661 120.773 120.200 -0.147 0.000 2.150 114 E HA -0.116 4.235 4.350 0.001 0.000 0.193 114 E C 1.242 177.754 176.600 -0.147 0.000 0.985 114 E CA 0.770 57.086 56.400 -0.141 0.000 0.814 114 E CB -0.149 29.478 29.700 -0.122 0.000 0.752 114 E HN 0.665 nan 8.360 nan 0.000 0.466 115 N N 0.996 119.609 118.700 -0.145 0.000 2.280 115 N HA -0.041 4.699 4.740 0.001 0.000 0.192 115 N C 0.133 175.563 175.510 -0.134 0.000 1.109 115 N CA 0.101 53.071 53.050 -0.135 0.000 0.855 115 N CB 0.475 38.888 38.487 -0.123 0.000 0.974 115 N HN 0.064 nan 8.380 nan 0.000 0.482 116 Q N 2.382 122.097 119.800 -0.141 0.000 2.293 116 Q HA 0.037 4.377 4.340 0.001 0.000 0.263 116 Q C -0.140 175.776 176.000 -0.140 0.000 1.002 116 Q CA 0.005 55.733 55.803 -0.124 0.000 0.910 116 Q CB 0.367 29.039 28.738 -0.111 0.000 1.185 116 Q HN 0.182 nan 8.270 nan 0.000 0.401 117 E N 4.120 124.252 120.200 -0.113 0.000 2.452 117 E HA -0.124 4.226 4.350 0.001 0.000 0.261 117 E C -0.270 176.274 176.600 -0.093 0.000 0.987 117 E CA 0.350 56.683 56.400 -0.112 0.000 0.926 117 E CB 0.265 29.923 29.700 -0.070 0.000 0.934 117 E HN 0.843 nan 8.360 nan 0.000 0.452 118 N N 0.889 119.522 118.700 -0.111 0.000 2.965 118 N HA -0.223 4.518 4.740 0.001 0.000 0.232 118 N C -0.743 174.779 175.510 0.020 0.000 0.913 118 N CA 0.901 53.959 53.050 0.014 0.000 0.981 118 N CB -1.038 37.496 38.487 0.078 0.000 1.077 118 N HN 0.396 nan 8.380 nan 0.000 0.589 119 L N 1.432 122.559 121.223 -0.160 0.000 2.282 119 L HA 0.507 4.848 4.340 0.001 0.000 0.288 119 L C -0.971 175.731 176.870 -0.280 0.000 1.033 119 L CA -0.825 53.948 54.840 -0.112 0.000 0.807 119 L CB 0.605 42.597 42.059 -0.111 0.000 1.209 119 L HN 0.035 nan 8.230 nan 0.000 0.423 120 Y N 5.137 125.387 120.300 -0.084 0.000 2.409 120 Y HA 0.570 5.120 4.550 0.000 0.000 0.343 120 Y C -0.119 175.617 175.900 -0.273 0.000 0.973 120 Y CA -0.714 57.313 58.100 -0.121 0.000 1.064 120 Y CB 1.614 40.069 38.460 -0.008 0.000 1.207 120 Y HN 0.412 nan 8.280 nan 0.000 0.452 121 I N 4.561 125.058 120.570 -0.122 0.000 2.359 121 I HA 0.349 4.520 4.170 0.001 0.000 0.294 121 I C -0.539 175.390 176.117 -0.312 0.000 0.987 121 I CA -0.822 60.337 61.300 -0.235 0.000 1.225 121 I CB 0.941 38.837 38.000 -0.173 0.000 1.366 121 I HN 0.369 nan 8.210 nan 0.000 0.466 122 K N 6.450 126.532 120.400 -0.530 0.000 2.535 122 K HA 0.256 4.577 4.320 0.001 0.000 0.253 122 K C -0.847 175.531 176.600 -0.370 0.000 0.953 122 K CA -0.558 55.367 56.287 -0.603 0.000 0.863 122 K CB 2.012 33.686 32.500 -1.377 0.000 1.111 122 K HN 0.556 nan 8.250 nan 0.000 0.431 123 Q N 2.917 122.613 119.800 -0.172 0.000 2.389 123 Q HA 0.133 4.473 4.340 0.001 0.000 0.244 123 Q C -1.098 174.909 176.000 0.013 0.000 1.056 123 Q CA 0.353 56.113 55.803 -0.071 0.000 0.908 123 Q CB 0.542 29.250 28.738 -0.050 0.000 1.273 123 Q HN 0.596 nan 8.270 nan 0.000 0.471 124 E N 2.734 122.991 120.200 0.095 0.000 2.431 124 E HA 0.040 4.391 4.350 0.001 0.000 0.287 124 E C -1.884 174.812 176.600 0.160 0.000 1.032 124 E CA -0.473 56.028 56.400 0.168 0.000 0.839 124 E CB 1.339 31.217 29.700 0.296 0.000 1.218 124 E HN 0.629 nan 8.360 nan 0.000 0.424 125 E N 3.275 123.518 120.200 0.073 0.000 2.152 125 E HA 0.267 4.617 4.350 0.001 0.000 0.285 125 E C -0.950 175.614 176.600 -0.060 0.000 1.043 125 E CA -0.537 55.866 56.400 0.005 0.000 0.839 125 E CB 1.074 30.780 29.700 0.010 0.000 1.069 125 E HN 0.203 nan 8.360 nan 0.000 0.399 126 V N 5.937 125.750 119.914 -0.168 0.000 2.470 126 V HA -0.003 4.118 4.120 0.001 0.000 0.276 126 V C 1.076 177.074 176.094 -0.160 0.000 1.040 126 V CA 0.132 62.270 62.300 -0.270 0.000 1.008 126 V CB 1.043 32.606 31.823 -0.433 0.000 0.990 126 V HN 0.745 nan 8.190 nan 0.000 0.477 127 V N 0.364 120.206 119.914 -0.119 0.000 3.477 127 V HA 0.523 4.643 4.120 0.001 0.000 0.297 127 V C 0.086 176.142 176.094 -0.063 0.000 1.433 127 V CA 0.255 62.518 62.300 -0.061 0.000 1.052 127 V CB 0.573 32.386 31.823 -0.018 0.000 0.895 127 V HN 0.779 nan 8.190 nan 0.000 0.438 128 D N -0.595 119.724 120.400 -0.136 0.000 2.706 128 D HA 0.514 5.155 4.640 0.001 0.000 0.225 128 D C -1.464 174.647 176.300 -0.315 0.000 1.241 128 D CA -0.308 53.596 54.000 -0.161 0.000 0.784 128 D CB 2.218 42.999 40.800 -0.032 0.000 1.521 128 D HN 0.173 nan 8.370 nan 0.000 0.461 129 I N 2.661 122.883 120.570 -0.579 0.000 2.378 129 I HA 0.366 4.536 4.170 0.001 0.000 0.291 129 I C -0.156 175.782 176.117 -0.299 0.000 0.992 129 I CA -0.972 59.953 61.300 -0.626 0.000 1.154 129 I CB 1.535 38.820 38.000 -1.190 0.000 1.315 129 I HN 0.277 nan 8.210 nan 0.000 0.448 130 I N 7.130 127.628 120.570 -0.120 0.000 2.371 130 I HA 0.285 4.455 4.170 0.001 0.000 0.290 130 I C 0.091 176.237 176.117 0.048 0.000 1.028 130 I CA -0.392 60.922 61.300 0.022 0.000 1.345 130 I CB 0.994 39.021 38.000 0.045 0.000 1.407 130 I HN 0.151 nan 8.210 nan 0.000 0.501 131 V N 6.628 126.629 119.914 0.145 0.000 2.604 131 V HA 0.468 4.588 4.120 0.001 0.000 0.305 131 V C -0.105 176.089 176.094 0.167 0.000 1.043 131 V CA -0.846 61.542 62.300 0.147 0.000 0.888 131 V CB 2.343 34.269 31.823 0.172 0.000 0.995 131 V HN 0.665 nan 8.190 nan 0.000 0.429 132 K N 3.929 124.400 120.400 0.119 0.000 2.604 132 K HA 0.478 4.799 4.320 0.001 0.000 0.247 132 K C -0.041 176.616 176.600 0.095 0.000 0.956 132 K CA -0.197 56.153 56.287 0.105 0.000 0.896 132 K CB 0.226 32.773 32.500 0.079 0.000 1.131 132 K HN 0.565 nan 8.250 nan 0.000 0.440 133 N N 3.638 122.401 118.700 0.106 0.000 2.727 133 N HA -0.229 4.511 4.740 0.001 0.000 0.251 133 N C -1.140 174.424 175.510 0.091 0.000 1.040 133 N CA 1.154 54.258 53.050 0.090 0.000 0.712 133 N CB -1.383 37.143 38.487 0.064 0.000 0.912 133 N HN 0.914 nan 8.380 nan 0.000 0.545 134 N N -1.375 117.399 118.700 0.123 0.000 2.727 134 N HA -0.269 4.471 4.740 0.001 0.000 0.249 134 N C -0.480 175.061 175.510 0.051 0.000 1.048 134 N CA 1.482 54.586 53.050 0.090 0.000 0.714 134 N CB -0.457 38.079 38.487 0.082 0.000 0.959 134 N HN 0.734 nan 8.380 nan 0.000 0.544 135 Q N -0.205 119.628 119.800 0.055 0.000 2.285 135 Q HA 0.548 4.888 4.340 0.001 0.000 0.269 135 Q C -1.092 174.933 176.000 0.041 0.000 1.030 135 Q CA -0.771 55.060 55.803 0.046 0.000 0.788 135 Q CB 1.638 30.408 28.738 0.053 0.000 1.266 135 Q HN 0.071 nan 8.270 nan 0.000 0.438 136 V N 4.791 124.724 119.914 0.031 0.000 2.599 136 V HA 0.065 4.185 4.120 0.001 0.000 0.300 136 V C 0.463 176.580 176.094 0.039 0.000 1.034 136 V CA 0.592 62.904 62.300 0.020 0.000 1.115 136 V CB 1.127 32.965 31.823 0.025 0.000 0.934 136 V HN 0.841 nan 8.190 nan 0.000 0.485 137 V N 3.353 123.289 119.914 0.036 0.000 3.426 137 V HA 0.570 4.690 4.120 0.001 0.000 0.271 137 V C 0.656 176.785 176.094 0.058 0.000 1.530 137 V CA 1.046 63.377 62.300 0.053 0.000 1.021 137 V CB 0.746 32.604 31.823 0.058 0.000 0.824 137 V HN 1.023 nan 8.190 nan 0.000 0.432 138 G N -0.998 107.825 108.800 0.039 0.000 2.489 138 G HA2 0.544 4.505 3.960 0.001 0.000 0.305 138 G HA3 0.544 4.505 3.960 0.001 0.000 0.305 138 G C -2.228 172.669 174.900 -0.006 0.000 1.311 138 G CA 0.081 45.214 45.100 0.054 0.000 0.813 138 G HN 0.075 nan 8.290 nan 0.000 0.480 139 V N -0.209 119.716 119.914 0.019 0.000 2.932 139 V HA 0.763 4.883 4.120 0.001 0.000 0.307 139 V C -0.989 175.100 176.094 -0.008 0.000 1.147 139 V CA -0.825 61.427 62.300 -0.081 0.000 0.951 139 V CB 2.278 33.986 31.823 -0.190 0.000 1.031 139 V HN 0.839 nan 8.190 nan 0.000 0.426 140 R N 1.891 122.351 120.500 -0.068 0.000 2.670 140 R HA 0.749 5.089 4.340 0.001 0.000 0.289 140 R C -0.511 175.759 176.300 -0.050 0.000 0.965 140 R CA -0.491 55.603 56.100 -0.009 0.000 0.899 140 R CB 2.296 32.591 30.300 -0.008 0.000 1.173 140 R HN 0.867 nan 8.270 nan 0.000 0.456 141 T N -1.851 112.715 114.554 0.020 0.000 2.938 141 T HA 0.131 4.481 4.350 0.001 0.000 0.285 141 T C 0.962 175.678 174.700 0.026 0.000 1.028 141 T CA -0.920 61.188 62.100 0.014 0.000 1.005 141 T CB 1.027 69.963 68.868 0.113 0.000 1.157 141 T HN 0.667 nan 8.240 nan 0.000 0.550 142 N N 0.402 119.118 118.700 0.028 0.000 2.571 142 N HA -0.020 4.720 4.740 0.001 0.000 0.189 142 N C 1.062 176.595 175.510 0.037 0.000 1.154 142 N CA 0.328 53.394 53.050 0.027 0.000 0.907 142 N CB -0.539 37.965 38.487 0.027 0.000 0.977 142 N HN 0.679 nan 8.380 nan 0.000 0.449 143 L N -0.511 120.745 121.223 0.055 0.000 2.653 143 L HA 0.306 4.646 4.340 0.001 0.000 0.231 143 L C 1.023 177.921 176.870 0.046 0.000 1.153 143 L CA 0.143 55.016 54.840 0.055 0.000 0.933 143 L CB -0.340 41.764 42.059 0.075 0.000 1.175 143 L HN 0.281 nan 8.230 nan 0.000 0.473 144 G N 0.518 109.339 108.800 0.036 0.000 2.147 144 G HA2 -0.234 3.726 3.960 0.001 0.000 0.244 144 G HA3 -0.234 3.726 3.960 0.001 0.000 0.244 144 G C -0.039 174.889 174.900 0.048 0.000 1.005 144 G CA 0.187 45.300 45.100 0.022 0.000 0.713 144 G HN 0.163 nan 8.290 nan 0.000 0.515 145 V N -0.342 119.608 119.914 0.060 0.000 2.919 145 V HA 0.781 4.901 4.120 0.001 0.000 0.316 145 V C 0.176 176.295 176.094 0.041 0.000 1.077 145 V CA -0.629 61.699 62.300 0.045 0.000 0.977 145 V CB 2.071 33.863 31.823 -0.051 0.000 1.039 145 V HN 0.406 nan 8.190 nan 0.000 0.441 146 E N 1.432 121.630 120.200 -0.002 0.000 2.266 146 E HA 0.545 4.895 4.350 0.001 0.000 0.268 146 E C -2.124 174.378 176.600 -0.163 0.000 0.879 146 E CA -0.530 55.885 56.400 0.025 0.000 0.762 146 E CB 1.959 31.790 29.700 0.217 0.000 1.199 146 E HN 0.596 nan 8.360 nan 0.000 0.422 147 Y N 1.710 122.079 120.300 0.115 0.000 2.409 147 Y HA 0.349 4.899 4.550 0.000 0.000 0.343 147 Y C 0.046 176.032 175.900 0.144 0.000 0.973 147 Y CA -0.933 57.273 58.100 0.177 0.000 1.064 147 Y CB 1.712 40.363 38.460 0.320 0.000 1.207 147 Y HN 0.250 nan 8.280 nan 0.000 0.452 148 K N 1.546 122.106 120.400 0.268 0.000 2.218 148 K HA 0.546 4.866 4.320 0.001 0.000 0.276 148 K C -0.208 176.532 176.600 0.233 0.000 1.022 148 K CA -0.240 56.155 56.287 0.179 0.000 0.946 148 K CB 1.302 33.860 32.500 0.096 0.000 1.000 148 K HN 0.695 nan 8.250 nan 0.000 0.468 149 T N 0.566 115.221 114.554 0.169 0.000 2.802 149 T HA 0.240 4.590 4.350 0.001 0.000 0.311 149 T C -0.313 174.451 174.700 0.108 0.000 1.405 149 T CA -0.755 61.447 62.100 0.170 0.000 1.016 149 T CB 1.180 70.148 68.868 0.167 0.000 1.352 149 T HN 0.598 nan 8.240 nan 0.000 0.498 150 K N 0.645 121.102 120.400 0.096 0.000 2.348 150 K HA 0.612 4.932 4.320 0.001 0.000 0.194 150 K C 0.411 177.058 176.600 0.077 0.000 1.052 150 K CA -0.010 56.322 56.287 0.075 0.000 1.004 150 K CB 0.877 33.416 32.500 0.065 0.000 0.873 150 K HN 0.596 nan 8.250 nan 0.000 0.523 151 A N 0.791 123.657 122.820 0.076 0.000 2.594 151 A HA 0.630 4.951 4.320 0.001 0.000 0.295 151 A C -1.418 176.220 177.584 0.089 0.000 1.071 151 A CA -0.610 51.495 52.037 0.113 0.000 0.685 151 A CB 1.867 20.930 19.000 0.105 0.000 1.285 151 A HN -0.096 nan 8.150 nan 0.000 0.405 152 V N 0.827 120.827 119.914 0.143 0.000 2.709 152 V HA 0.575 4.695 4.120 0.001 0.000 0.308 152 V C -0.839 175.365 176.094 0.184 0.000 1.062 152 V CA -0.540 61.813 62.300 0.089 0.000 0.901 152 V CB 1.987 33.812 31.823 0.002 0.000 1.003 152 V HN 0.770 nan 8.190 nan 0.000 0.425 153 V N 5.036 125.013 119.914 0.106 0.000 2.350 153 V HA 0.423 4.543 4.120 0.001 0.000 0.285 153 V C -0.230 175.923 176.094 0.098 0.000 1.014 153 V CA -0.626 61.767 62.300 0.154 0.000 0.831 153 V CB 1.771 33.630 31.823 0.060 0.000 1.000 153 V HN 0.605 nan 8.190 nan 0.000 0.433 154 V N 4.572 124.583 119.914 0.162 0.000 2.406 154 V HA 0.494 4.615 4.120 0.001 0.000 0.272 154 V C 0.731 176.807 176.094 -0.030 0.000 1.043 154 V CA -0.004 62.274 62.300 -0.037 0.000 0.915 154 V CB 1.429 33.146 31.823 -0.176 0.000 0.988 154 V HN 1.029 nan 8.190 nan 0.000 0.466 155 T N -1.285 113.204 114.554 -0.108 0.000 3.839 155 T HA 0.061 4.412 4.350 0.001 0.000 0.230 155 T C 0.974 175.621 174.700 -0.088 0.000 1.095 155 T CA 0.192 62.281 62.100 -0.018 0.000 1.470 155 T CB 0.150 69.038 68.868 0.033 0.000 0.881 155 T HN 0.719 nan 8.240 nan 0.000 0.637 156 T N -1.324 113.098 114.554 -0.220 0.000 3.077 156 T HA 0.326 4.676 4.350 0.001 0.000 0.269 156 T C 1.898 176.634 174.700 0.061 0.000 1.146 156 T CA 0.819 62.827 62.100 -0.153 0.000 1.091 156 T CB -0.864 67.853 68.868 -0.251 0.000 0.892 156 T HN 1.394 nan 8.240 nan 0.000 0.533 157 G N 1.925 110.792 108.800 0.112 0.000 2.622 157 G HA2 -0.397 3.564 3.960 0.001 0.000 0.307 157 G HA3 -0.397 3.564 3.960 0.001 0.000 0.307 157 G C 0.921 175.812 174.900 -0.015 0.000 1.226 157 G CA 1.487 46.664 45.100 0.129 0.000 0.997 157 G HN 1.209 nan 8.290 nan 0.000 0.551 158 T N -2.068 112.454 114.554 -0.053 0.000 3.206 158 T HA 0.554 4.904 4.350 0.001 0.000 0.253 158 T C 1.547 176.228 174.700 -0.033 0.000 1.042 158 T CA 1.107 62.954 62.100 -0.422 0.000 0.931 158 T CB -0.077 68.554 68.868 -0.396 0.000 1.029 158 T HN 0.356 nan 8.240 nan 0.000 0.564 159 F N 0.560 120.518 119.950 0.012 0.000 2.317 159 F HA 0.419 4.946 4.527 0.000 0.000 0.290 159 F C 1.027 176.886 175.800 0.097 0.000 1.075 159 F CA -1.012 57.025 58.000 0.061 0.000 1.380 159 F CB -0.442 38.571 39.000 0.022 0.000 1.093 159 F HN 0.156 nan 8.300 nan 0.000 0.524 160 L N 2.688 124.086 121.223 0.293 0.000 2.700 160 L HA -0.043 4.297 4.340 0.001 0.000 0.272 160 L C 0.506 177.504 176.870 0.214 0.000 1.176 160 L CA 0.044 55.012 54.840 0.213 0.000 0.961 160 L CB -1.087 41.081 42.059 0.183 0.000 1.249 160 L HN 0.307 nan 8.230 nan 0.000 0.487 161 N N 2.780 121.578 118.700 0.163 0.000 2.721 161 N HA -0.175 4.565 4.740 0.001 0.000 0.249 161 N C 0.462 176.055 175.510 0.140 0.000 1.072 161 N CA 1.032 54.161 53.050 0.132 0.000 0.710 161 N CB -1.004 37.555 38.487 0.121 0.000 0.993 161 N HN 0.847 nan 8.380 nan 0.000 0.547 162 G N -0.276 108.610 108.800 0.143 0.000 2.398 162 G HA2 0.417 4.377 3.960 0.001 0.000 0.246 162 G HA3 0.417 4.377 3.960 0.001 0.000 0.246 162 G C 0.137 175.081 174.900 0.073 0.000 1.289 162 G CA -0.151 45.031 45.100 0.137 0.000 0.869 162 G HN 0.123 nan 8.290 nan 0.000 0.543 163 V N 4.053 124.023 119.914 0.094 0.000 2.483 163 V HA 0.304 4.424 4.120 0.001 0.000 0.297 163 V C 0.113 176.188 176.094 -0.033 0.000 1.027 163 V CA -0.604 61.677 62.300 -0.031 0.000 0.855 163 V CB 1.593 33.359 31.823 -0.096 0.000 0.995 163 V HN 0.659 nan 8.190 nan 0.000 0.424 164 I N 4.933 125.444 120.570 -0.098 0.000 2.428 164 I HA 0.350 4.520 4.170 0.001 0.000 0.289 164 I C -0.888 175.151 176.117 -0.130 0.000 1.019 164 I CA -0.128 61.176 61.300 0.007 0.000 1.351 164 I CB 0.728 38.677 38.000 -0.085 0.000 1.412 164 I HN 0.496 nan 8.210 nan 0.000 0.513 165 Y N 6.538 126.925 120.300 0.144 0.000 2.341 165 Y HA 0.655 5.205 4.550 0.001 0.000 0.338 165 Y C -0.139 175.825 175.900 0.107 0.000 0.965 165 Y CA -0.611 57.548 58.100 0.099 0.000 1.108 165 Y CB 1.532 40.042 38.460 0.083 0.000 1.180 165 Y HN 0.290 nan 8.280 nan 0.000 0.458 166 I N 3.297 123.980 120.570 0.188 0.000 2.599 166 I HA 0.419 4.590 4.170 0.001 0.000 0.285 166 I C 0.486 176.649 176.117 0.077 0.000 1.168 166 I CA -0.480 60.891 61.300 0.118 0.000 1.060 166 I CB 1.534 39.569 38.000 0.058 0.000 1.249 166 I HN 0.856 nan 8.210 nan 0.000 0.442 167 G N 5.822 114.668 108.800 0.077 0.000 2.622 167 G HA2 -0.334 3.626 3.960 0.001 0.000 0.307 167 G HA3 -0.334 3.626 3.960 0.001 0.000 0.307 167 G C 0.540 175.494 174.900 0.090 0.000 1.226 167 G CA 0.776 45.909 45.100 0.056 0.000 0.997 167 G HN 0.785 nan 8.290 nan 0.000 0.551 168 D N 1.016 121.440 120.400 0.040 0.000 2.360 168 D HA 0.109 4.749 4.640 0.001 0.000 0.210 168 D C 0.542 176.863 176.300 0.035 0.000 1.047 168 D CA 0.360 54.387 54.000 0.045 0.000 0.854 168 D CB 0.090 40.886 40.800 -0.007 0.000 0.936 168 D HN 0.364 nan 8.370 nan 0.000 0.514 169 K N 0.906 121.315 120.400 0.015 0.000 2.298 169 K HA 0.363 4.683 4.320 0.001 0.000 0.280 169 K C 0.145 176.702 176.600 -0.072 0.000 1.032 169 K CA -0.034 56.238 56.287 -0.025 0.000 0.958 169 K CB 1.536 34.016 32.500 -0.034 0.000 0.978 169 K HN 0.139 nan 8.250 nan 0.000 0.472 170 M N 4.074 123.595 119.600 -0.132 0.000 2.142 170 M HA 0.437 4.918 4.480 0.001 0.000 0.299 170 M C -0.620 175.563 176.300 -0.195 0.000 0.960 170 M CA -0.374 54.758 55.300 -0.280 0.000 0.920 170 M CB 1.221 33.645 32.600 -0.293 0.000 1.541 170 M HN 0.341 nan 8.290 nan 0.000 0.429 171 I N 4.427 124.874 120.570 -0.204 0.000 2.436 171 I HA 0.454 4.624 4.170 0.001 0.000 0.289 171 I C -2.369 173.675 176.117 -0.122 0.000 1.010 171 I CA -2.181 59.038 61.300 -0.135 0.000 1.098 171 I CB 1.993 39.920 38.000 -0.121 0.000 1.266 171 I HN 0.309 nan 8.210 nan 0.000 0.434 172 P HA 0.266 nan 4.420 nan 0.000 0.268 172 P C -0.123 177.145 177.300 -0.053 0.000 1.204 172 P CA 0.115 63.184 63.100 -0.053 0.000 0.768 172 P CB 0.719 32.403 31.700 -0.027 0.000 0.842 173 G N 1.099 109.871 108.800 -0.047 0.000 2.386 173 G HA2 0.366 4.327 3.960 0.001 0.000 0.302 173 G HA3 0.366 4.327 3.960 0.001 0.000 0.302 173 G C 0.465 175.275 174.900 -0.151 0.000 1.629 173 G CA -0.154 44.899 45.100 -0.079 0.000 0.917 173 G HN 0.498 nan 8.290 nan 0.000 0.676 174 G N -0.636 107.956 108.800 -0.347 0.000 2.603 174 G HA2 0.406 4.366 3.960 0.001 0.000 0.214 174 G HA3 0.406 4.366 3.960 0.001 0.000 0.214 174 G C 0.721 175.131 174.900 -0.816 0.000 1.140 174 G CA 0.527 45.089 45.100 -0.897 0.000 0.800 174 G HN 0.648 nan 8.290 nan 0.000 0.533 175 R N -1.486 118.732 120.500 -0.470 0.000 2.692 175 R HA 0.277 4.618 4.340 0.001 0.000 0.269 175 R C -1.734 174.467 176.300 -0.165 0.000 1.030 175 R CA -1.030 54.969 56.100 -0.168 0.000 0.882 175 R CB 1.345 31.589 30.300 -0.094 0.000 1.250 175 R HN 0.077 nan 8.270 nan 0.000 0.465 176 L N 1.766 122.822 121.223 -0.279 0.000 2.628 176 L HA 0.118 4.458 4.340 0.001 0.000 0.274 176 L C 1.154 177.920 176.870 -0.175 0.000 1.209 176 L CA 2.354 56.921 54.840 -0.454 0.000 0.930 176 L CB 0.299 41.904 42.059 -0.757 0.000 1.183 176 L HN 0.970 nan 8.230 nan 0.000 0.492 177 G N 2.703 111.420 108.800 -0.138 0.000 2.179 177 G HA2 -0.233 3.727 3.960 0.001 0.000 0.260 177 G HA3 -0.233 3.727 3.960 0.001 0.000 0.260 177 G C 0.221 175.111 174.900 -0.017 0.000 0.977 177 G CA 0.367 45.432 45.100 -0.058 0.000 0.641 177 G HN 0.602 nan 8.290 nan 0.000 0.533 178 E N 0.649 120.835 120.200 -0.024 0.000 2.312 178 E HA 0.513 4.863 4.350 0.001 0.000 0.267 178 E C -2.444 174.176 176.600 0.033 0.000 0.894 178 E CA -2.020 54.404 56.400 0.041 0.000 0.773 178 E CB 2.751 32.516 29.700 0.110 0.000 1.241 178 E HN 0.173 nan 8.360 nan 0.000 0.432 179 P HA 0.141 nan 4.420 nan 0.000 0.277 179 P C -0.952 176.451 177.300 0.172 0.000 1.271 179 P CA -0.293 62.870 63.100 0.105 0.000 0.795 179 P CB 1.038 32.805 31.700 0.111 0.000 1.101 180 R N -0.859 119.728 120.500 0.144 0.000 2.919 180 R HA 0.705 5.045 4.340 0.001 0.000 0.260 180 R C -0.443 175.975 176.300 0.197 0.000 1.067 180 R CA -0.807 55.413 56.100 0.199 0.000 1.003 180 R CB 0.909 31.263 30.300 0.090 0.000 1.192 180 R HN 0.499 nan 8.270 nan 0.000 0.488 181 S N -0.759 115.067 115.700 0.210 0.000 2.651 181 S HA 0.390 4.861 4.470 0.001 0.000 0.291 181 S C -0.124 174.540 174.600 0.107 0.000 1.141 181 S CA -0.792 57.484 58.200 0.127 0.000 1.027 181 S CB 2.120 65.375 63.200 0.092 0.000 1.043 181 S HN 0.860 nan 8.310 nan 0.000 0.530 182 E N 0.752 121.000 120.200 0.079 0.000 3.454 182 E HA 0.185 4.536 4.350 0.001 0.000 0.208 182 E C 1.990 178.638 176.600 0.080 0.000 1.153 182 E CA 0.253 56.701 56.400 0.081 0.000 1.553 182 E CB -0.823 28.917 29.700 0.067 0.000 1.423 182 E HN 0.706 nan 8.360 nan 0.000 0.662 183 G N 2.441 111.278 108.800 0.061 0.000 2.505 183 G HA2 -0.295 3.665 3.960 0.001 0.000 0.220 183 G HA3 -0.295 3.665 3.960 0.001 0.000 0.220 183 G C 1.531 176.483 174.900 0.085 0.000 1.145 183 G CA 1.094 46.231 45.100 0.062 0.000 0.761 183 G HN 0.097 nan 8.290 nan 0.000 0.571 184 L N 2.025 123.292 121.223 0.074 0.000 2.189 184 L HA -0.112 4.229 4.340 0.001 0.000 0.214 184 L C 3.089 180.115 176.870 0.259 0.000 1.097 184 L CA 2.282 57.186 54.840 0.106 0.000 0.764 184 L CB -0.540 41.544 42.059 0.041 0.000 0.900 184 L HN 0.396 nan 8.230 nan 0.000 0.436 185 S N -2.090 113.755 115.700 0.241 0.000 2.419 185 S HA -0.167 4.304 4.470 0.001 0.000 0.233 185 S C 1.645 176.400 174.600 0.258 0.000 1.016 185 S CA 1.038 59.417 58.200 0.298 0.000 0.974 185 S CB -0.612 62.708 63.200 0.200 0.000 0.786 185 S HN 0.515 nan 8.310 nan 0.000 0.492 186 D N 1.020 121.534 120.400 0.190 0.000 2.144 186 D HA -0.041 4.599 4.640 0.001 0.000 0.200 186 D C 1.511 177.907 176.300 0.160 0.000 0.978 186 D CA 0.950 55.038 54.000 0.147 0.000 0.833 186 D CB -0.456 40.410 40.800 0.110 0.000 0.961 186 D HN 0.543 nan 8.370 nan 0.000 0.470 187 F N 1.068 121.041 119.950 0.037 0.000 2.102 187 F HA -0.270 4.257 4.527 0.001 0.000 0.298 187 F C 2.050 177.875 175.800 0.042 0.000 1.105 187 F CA 1.329 59.323 58.000 -0.009 0.000 1.239 187 F CB -0.551 38.317 39.000 -0.219 0.000 0.991 187 F HN -0.121 nan 8.300 nan 0.000 0.474 188 Y N 0.744 121.045 120.300 0.001 0.000 2.242 188 Y HA -0.084 4.466 4.550 0.000 0.000 0.291 188 Y C 2.592 178.554 175.900 0.104 0.000 1.137 188 Y CA 1.666 59.745 58.100 -0.036 0.000 1.181 188 Y CB -0.656 37.843 38.460 0.064 0.000 0.989 188 Y HN 0.009 nan 8.280 nan 0.000 0.527 189 R N -0.219 120.401 120.500 0.199 0.000 2.075 189 R HA -0.128 4.213 4.340 0.001 0.000 0.232 189 R C 2.310 178.637 176.300 0.045 0.000 1.126 189 R CA 1.304 57.480 56.100 0.126 0.000 0.963 189 R CB -0.368 29.988 30.300 0.093 0.000 0.858 189 R HN 0.257 nan 8.270 nan 0.000 0.435 190 R N 0.356 120.852 120.500 -0.007 0.000 2.127 190 R HA -0.118 4.223 4.340 0.001 0.000 0.238 190 R C 0.773 176.909 176.300 -0.273 0.000 1.134 190 R CA 1.398 57.424 56.100 -0.124 0.000 0.975 190 R CB -0.046 30.190 30.300 -0.108 0.000 0.865 190 R HN 0.132 nan 8.270 nan 0.000 0.447 191 F N 0.624 120.476 119.950 -0.164 0.000 2.639 191 F HA 0.172 4.699 4.527 0.001 0.000 0.300 191 F C 0.003 175.734 175.800 -0.116 0.000 1.109 191 F CA -0.008 57.908 58.000 -0.140 0.000 1.335 191 F CB 0.380 39.280 39.000 -0.167 0.000 1.014 191 F HN 0.094 nan 8.300 nan 0.000 0.537 192 D N 0.126 120.555 120.400 0.049 0.000 2.772 192 D HA -0.279 4.361 4.640 0.001 0.000 0.233 192 D C -0.332 175.973 176.300 0.008 0.000 1.143 192 D CA 0.459 54.461 54.000 0.004 0.000 0.700 192 D CB -1.393 39.361 40.800 -0.077 0.000 1.076 192 D HN 0.116 nan 8.370 nan 0.000 0.430 193 F N -0.186 119.806 119.950 0.070 0.000 2.375 193 F HA 0.462 4.990 4.527 0.001 0.000 0.333 193 F C -1.343 174.468 175.800 0.019 0.000 1.104 193 F CA -1.740 56.307 58.000 0.078 0.000 1.149 193 F CB 0.832 39.972 39.000 0.235 0.000 1.190 193 F HN -0.124 nan 8.300 nan 0.000 0.533 194 P HA 0.358 nan 4.420 nan 0.000 0.278 194 P C -1.183 176.120 177.300 0.006 0.000 1.238 194 P CA -0.213 62.909 63.100 0.036 0.000 0.794 194 P CB 0.755 32.439 31.700 -0.027 0.000 0.955 195 L N 3.627 124.831 121.223 -0.033 0.000 2.439 195 L HA 0.570 4.910 4.340 0.001 0.000 0.270 195 L C 0.021 176.816 176.870 -0.126 0.000 0.972 195 L CA -0.719 54.068 54.840 -0.087 0.000 0.836 195 L CB 1.352 43.401 42.059 -0.016 0.000 1.255 195 L HN 0.334 nan 8.230 nan 0.000 0.404 196 I N -0.430 120.003 120.570 -0.228 0.000 2.957 196 I HA 0.679 4.849 4.170 0.001 0.000 0.310 196 I C -0.756 175.162 176.117 -0.331 0.000 1.063 196 I CA -1.036 60.101 61.300 -0.272 0.000 1.033 196 I CB 2.190 39.963 38.000 -0.379 0.000 1.230 196 I HN 0.531 nan 8.210 nan 0.000 0.447 197 R N 2.331 122.671 120.500 -0.267 0.000 2.437 197 R HA 0.589 4.930 4.340 0.001 0.000 0.310 197 R C -1.649 174.553 176.300 -0.163 0.000 0.955 197 R CA -0.566 55.392 56.100 -0.237 0.000 0.851 197 R CB 1.773 32.016 30.300 -0.095 0.000 1.161 197 R HN 0.395 nan 8.270 nan 0.000 0.446 198 F N 1.746 121.422 119.950 -0.457 0.000 2.470 198 F HA 0.488 5.015 4.527 0.000 0.000 0.329 198 F C 0.289 175.798 175.800 -0.485 0.000 1.072 198 F CA -1.241 56.497 58.000 -0.437 0.000 0.989 198 F CB 1.686 40.440 39.000 -0.410 0.000 1.193 198 F HN 0.247 nan 8.300 nan 0.000 0.481 199 K N 1.238 121.625 120.400 -0.023 0.000 2.482 199 K HA 0.655 4.975 4.320 0.001 0.000 0.251 199 K C -1.504 175.120 176.600 0.040 0.000 0.936 199 K CA -0.419 55.875 56.287 0.011 0.000 0.791 199 K CB 1.855 34.319 32.500 -0.059 0.000 1.213 199 K HN 0.788 nan 8.250 nan 0.000 0.428 200 T N -0.090 114.540 114.554 0.126 0.000 2.909 200 T HA 0.703 5.053 4.350 0.001 0.000 0.299 200 T C -0.023 174.680 174.700 0.004 0.000 1.073 200 T CA -0.911 61.227 62.100 0.062 0.000 0.999 200 T CB 1.739 70.675 68.868 0.113 0.000 1.098 200 T HN 0.593 nan 8.240 nan 0.000 0.477 201 G N -0.279 108.488 108.800 -0.055 0.000 2.537 201 G HA2 0.686 4.647 3.960 0.001 0.000 0.323 201 G HA3 0.686 4.647 3.960 0.001 0.000 0.323 201 G C -1.041 173.771 174.900 -0.147 0.000 1.207 201 G CA -0.780 44.245 45.100 -0.125 0.000 0.976 201 G HN 0.917 nan 8.290 nan 0.000 0.487 202 T N -0.011 114.402 114.554 -0.234 0.000 2.896 202 T HA 0.714 5.065 4.350 0.001 0.000 0.297 202 T C -2.725 171.891 174.700 -0.140 0.000 1.108 202 T CA -1.290 60.712 62.100 -0.163 0.000 1.004 202 T CB 2.223 70.965 68.868 -0.209 0.000 1.159 202 T HN 0.250 nan 8.240 nan 0.000 0.499 203 P HA 0.503 nan 4.420 nan 0.000 0.279 203 P C -1.125 176.130 177.300 -0.075 0.000 1.282 203 P CA -0.453 62.563 63.100 -0.139 0.000 0.788 203 P CB 0.362 31.828 31.700 -0.390 0.000 1.139 204 A N 0.644 123.461 122.820 -0.004 0.000 2.259 204 A HA 0.544 4.864 4.320 0.001 0.000 0.278 204 A C -0.044 177.455 177.584 -0.142 0.000 1.107 204 A CA 0.101 52.099 52.037 -0.065 0.000 0.828 204 A CB -0.047 18.828 19.000 -0.209 0.000 1.111 204 A HN 0.348 nan 8.150 nan 0.000 0.498 205 R N -0.427 120.030 120.500 -0.070 0.000 2.387 205 R HA 0.615 4.955 4.340 0.001 0.000 0.314 205 R C -1.007 175.254 176.300 -0.065 0.000 0.958 205 R CA -0.242 55.844 56.100 -0.024 0.000 0.846 205 R CB 0.778 31.113 30.300 0.060 0.000 1.147 205 R HN 0.625 nan 8.270 nan 0.000 0.447 206 L N 1.022 122.205 121.223 -0.067 0.000 2.334 206 L HA 0.485 4.825 4.340 0.001 0.000 0.272 206 L C 0.083 176.950 176.870 -0.006 0.000 1.020 206 L CA -1.125 53.670 54.840 -0.074 0.000 0.812 206 L CB 1.471 43.458 42.059 -0.120 0.000 1.264 206 L HN 0.419 nan 8.230 nan 0.000 0.439 207 D N 1.582 121.975 120.400 -0.012 0.000 2.325 207 D HA 0.016 4.657 4.640 0.001 0.000 0.251 207 D C 0.769 177.087 176.300 0.030 0.000 1.196 207 D CA 0.080 54.087 54.000 0.011 0.000 0.866 207 D CB 1.343 42.142 40.800 -0.003 0.000 1.101 207 D HN 0.501 nan 8.370 nan 0.000 0.476 208 K N 3.324 123.765 120.400 0.069 0.000 2.152 208 K HA -0.180 4.140 4.320 0.001 0.000 0.206 208 K C 1.291 177.967 176.600 0.126 0.000 1.048 208 K CA 1.082 57.449 56.287 0.133 0.000 0.933 208 K CB 0.241 32.796 32.500 0.092 0.000 0.721 208 K HN 0.275 nan 8.250 nan 0.000 0.447 209 R N -0.297 120.237 120.500 0.056 0.000 2.307 209 R HA -0.017 4.324 4.340 0.001 0.000 0.199 209 R C 1.538 177.847 176.300 0.014 0.000 1.000 209 R CA 1.334 57.457 56.100 0.038 0.000 1.023 209 R CB -0.041 30.268 30.300 0.015 0.000 0.908 209 R HN 0.289 nan 8.270 nan 0.000 0.473 210 T N -2.623 111.928 114.554 -0.006 0.000 3.134 210 T HA 0.366 4.717 4.350 0.001 0.000 0.260 210 T C 0.468 175.111 174.700 -0.095 0.000 1.027 210 T CA -0.288 61.786 62.100 -0.044 0.000 0.913 210 T CB 0.028 68.867 68.868 -0.049 0.000 1.046 210 T HN -0.038 nan 8.240 nan 0.000 0.553 211 I N 1.734 122.226 120.570 -0.129 0.000 2.441 211 I HA 0.380 4.550 4.170 0.001 0.000 0.295 211 I C -0.643 175.201 176.117 -0.455 0.000 0.994 211 I CA -0.960 60.109 61.300 -0.385 0.000 1.144 211 I CB 1.726 39.296 38.000 -0.716 0.000 1.314 211 I HN 0.052 nan 8.210 nan 0.000 0.445 212 D N 5.949 126.082 120.400 -0.445 0.000 2.396 212 D HA 0.207 4.847 4.640 0.001 0.000 0.225 212 D C 0.078 176.132 176.300 -0.410 0.000 1.121 212 D CA -0.183 53.649 54.000 -0.280 0.000 0.853 212 D CB 0.736 41.443 40.800 -0.154 0.000 1.043 212 D HN 0.280 nan 8.370 nan 0.000 0.500 213 F N 1.290 121.109 119.950 -0.217 0.000 2.727 213 F HA -0.020 4.508 4.527 0.000 0.000 0.302 213 F C 2.595 178.324 175.800 -0.117 0.000 1.097 213 F CA -0.135 57.697 58.000 -0.280 0.000 1.330 213 F CB -0.144 38.459 39.000 -0.662 0.000 1.084 213 F HN 0.328 nan 8.300 nan 0.000 0.578 214 S N 1.048 116.792 115.700 0.074 0.000 2.380 214 S HA -0.258 4.212 4.470 0.001 0.000 0.229 214 S C 1.881 176.526 174.600 0.075 0.000 1.043 214 S CA 1.352 59.594 58.200 0.070 0.000 1.038 214 S CB -0.606 62.615 63.200 0.035 0.000 0.872 214 S HN 0.266 nan 8.310 nan 0.000 0.456 215 A N 0.408 123.261 122.820 0.055 0.000 2.500 215 A HA 0.623 4.944 4.320 0.001 0.000 0.267 215 A C 0.401 178.039 177.584 0.089 0.000 1.290 215 A CA -0.574 51.500 52.037 0.062 0.000 0.928 215 A CB -0.074 18.946 19.000 0.034 0.000 1.066 215 A HN 0.498 nan 8.150 nan 0.000 0.516 216 L N 0.380 121.682 121.223 0.132 0.000 2.325 216 L HA 0.319 4.660 4.340 0.001 0.000 0.279 216 L C 0.551 177.567 176.870 0.244 0.000 1.054 216 L CA -0.525 54.423 54.840 0.180 0.000 0.804 216 L CB 1.357 43.538 42.059 0.204 0.000 1.200 216 L HN 0.353 nan 8.230 nan 0.000 0.436 217 E N 1.675 121.976 120.200 0.169 0.000 2.366 217 E HA 0.151 4.501 4.350 0.001 0.000 0.266 217 E C -0.929 175.725 176.600 0.090 0.000 1.015 217 E CA -0.505 55.964 56.400 0.115 0.000 0.906 217 E CB 1.122 30.861 29.700 0.065 0.000 0.979 217 E HN 0.278 nan 8.360 nan 0.000 0.443 218 V N 3.201 123.144 119.914 0.048 0.000 2.686 218 V HA 0.324 4.444 4.120 0.001 0.000 0.295 218 V C 0.244 176.244 176.094 -0.157 0.000 1.055 218 V CA 0.036 62.252 62.300 -0.140 0.000 1.050 218 V CB 1.241 33.007 31.823 -0.096 0.000 0.984 218 V HN 0.763 nan 8.190 nan 0.000 0.482 219 A N 7.382 130.047 122.820 -0.258 0.000 2.586 219 A HA 0.717 5.038 4.320 0.001 0.000 0.320 219 A C -2.407 175.100 177.584 -0.128 0.000 1.281 219 A CA -1.377 50.605 52.037 -0.092 0.000 0.775 219 A CB 0.732 19.780 19.000 0.080 0.000 1.122 219 A HN 0.626 nan 8.150 nan 0.000 0.470 220 P HA 0.467 nan 4.420 nan 0.000 0.284 220 P C 0.538 177.827 177.300 -0.019 0.000 1.292 220 P CA -0.016 63.034 63.100 -0.082 0.000 0.800 220 P CB 1.205 32.870 31.700 -0.060 0.000 1.188 221 G N -0.475 108.328 108.800 0.006 0.000 2.532 221 G HA2 0.306 4.267 3.960 0.001 0.000 0.291 221 G HA3 0.306 4.267 3.960 0.001 0.000 0.291 221 G C -0.713 174.239 174.900 0.085 0.000 1.349 221 G CA -0.399 44.737 45.100 0.061 0.000 1.038 221 G HN 0.391 nan 8.290 nan 0.000 0.518 222 D N -0.918 119.564 120.400 0.137 0.000 2.277 222 D HA 0.482 5.122 4.640 0.001 0.000 0.250 222 D C -1.045 175.348 176.300 0.155 0.000 1.032 222 D CA 0.044 54.130 54.000 0.143 0.000 0.947 222 D CB 2.110 43.027 40.800 0.195 0.000 1.159 222 D HN 0.268 nan 8.370 nan 0.000 0.460 223 D N 0.463 120.934 120.400 0.118 0.000 2.686 223 D HA 0.286 4.926 4.640 0.001 0.000 0.249 223 D C -2.449 173.886 176.300 0.060 0.000 1.260 223 D CA -1.407 52.652 54.000 0.098 0.000 0.910 223 D CB 1.290 42.125 40.800 0.058 0.000 1.323 223 D HN 0.011 nan 8.370 nan 0.000 0.561 224 P HA 0.336 nan 4.420 nan 0.000 0.275 224 P C -2.767 174.738 177.300 0.342 0.000 1.228 224 P CA -1.285 61.916 63.100 0.168 0.000 0.786 224 P CB 0.743 32.522 31.700 0.131 0.000 0.927 225 P HA 0.287 nan 4.420 nan 0.000 0.288 225 P C -2.600 174.919 177.300 0.366 0.000 1.267 225 P CA -2.209 61.125 63.100 0.390 0.000 0.815 225 P CB 0.626 32.532 31.700 0.343 0.000 0.989 226 P HA 0.238 nan 4.420 nan 0.000 0.277 226 P C -0.508 176.488 177.300 -0.506 0.000 1.240 226 P CA -0.120 62.656 63.100 -0.540 0.000 0.798 226 P CB 1.244 32.455 31.700 -0.815 0.000 0.979 227 K N 0.970 120.901 120.400 -0.782 0.000 2.166 227 K HA 0.379 4.700 4.320 0.001 0.000 0.245 227 K C 0.454 176.792 176.600 -0.436 0.000 0.967 227 K CA -0.517 55.288 56.287 -0.804 0.000 0.863 227 K CB 0.939 32.824 32.500 -1.024 0.000 1.107 227 K HN 0.290 nan 8.250 nan 0.000 0.436 228 F N -0.168 119.700 119.950 -0.137 0.000 2.582 228 F HA 0.075 4.602 4.527 0.001 0.000 0.290 228 F C 1.394 177.217 175.800 0.039 0.000 1.115 228 F CA 0.192 58.171 58.000 -0.035 0.000 1.445 228 F CB 0.741 39.778 39.000 0.062 0.000 1.126 228 F HN 0.325 nan 8.300 nan 0.000 0.574 229 S N -0.779 115.034 115.700 0.188 0.000 2.525 229 S HA 0.196 4.666 4.470 0.001 0.000 0.290 229 S C 0.433 175.009 174.600 -0.039 0.000 1.152 229 S CA -0.559 57.729 58.200 0.147 0.000 1.072 229 S CB 0.650 63.949 63.200 0.165 0.000 1.027 229 S HN 0.196 nan 8.310 nan 0.000 0.500 230 F N 3.167 122.831 119.950 -0.477 0.000 2.615 230 F HA 0.282 4.809 4.527 0.001 0.000 0.297 230 F C 0.763 175.980 175.800 -0.973 0.000 1.124 230 F CA 0.267 57.641 58.000 -1.042 0.000 1.451 230 F CB 0.051 38.189 39.000 -1.437 0.000 1.103 230 F HN 0.717 nan 8.300 nan 0.000 0.569 231 W N 0.353 121.634 121.300 -0.032 0.000 2.942 231 W HA 0.138 4.798 4.660 0.001 0.000 0.263 231 W C 1.300 177.770 176.519 -0.081 0.000 1.296 231 W CA 0.551 57.858 57.345 -0.064 0.000 1.504 231 W CB -0.943 28.541 29.460 0.039 0.000 1.096 231 W HN -0.201 nan 8.180 nan 0.000 0.639 232 T N -0.968 113.626 114.554 0.068 0.000 2.754 232 T HA 0.228 4.578 4.350 0.001 0.000 0.286 232 T C -0.101 174.575 174.700 -0.040 0.000 0.997 232 T CA -0.730 61.400 62.100 0.050 0.000 0.982 232 T CB 1.379 70.284 68.868 0.061 0.000 1.027 232 T HN -0.249 nan 8.240 nan 0.000 0.529 233 E N 1.924 122.131 120.200 0.013 0.000 2.324 233 E HA 0.313 4.664 4.350 0.001 0.000 0.271 233 E C -2.428 174.167 176.600 -0.008 0.000 1.028 233 E CA -1.990 54.408 56.400 -0.003 0.000 0.890 233 E CB 0.247 29.973 29.700 0.042 0.000 1.004 233 E HN 0.411 nan 8.360 nan 0.000 0.431 234 P HA 0.054 nan 4.420 nan 0.000 0.276 234 P C -0.866 176.297 177.300 -0.229 0.000 1.264 234 P CA -0.327 62.703 63.100 -0.117 0.000 0.769 234 P CB 0.722 32.358 31.700 -0.106 0.000 0.840 235 V N 3.559 123.354 119.914 -0.199 0.000 2.788 235 V HA 0.202 4.322 4.120 0.001 0.000 0.307 235 V C 1.629 177.418 176.094 -0.509 0.000 1.069 235 V CA 1.502 63.624 62.300 -0.298 0.000 1.173 235 V CB -0.376 31.378 31.823 -0.115 0.000 0.925 235 V HN 1.010 nan 8.190 nan 0.000 0.492 236 G N 3.189 111.336 108.800 -1.089 0.000 2.198 236 G HA2 -0.192 3.768 3.960 0.001 0.000 0.257 236 G HA3 -0.192 3.768 3.960 0.001 0.000 0.257 236 G C 0.087 174.292 174.900 -1.157 0.000 1.042 236 G CA 0.491 44.621 45.100 -1.616 0.000 0.791 236 G HN 1.335 nan 8.290 nan 0.000 0.502 237 S N -1.937 113.107 115.700 -1.094 0.000 2.570 237 S HA 0.702 5.172 4.470 0.001 0.000 0.270 237 S C -0.248 174.023 174.600 -0.548 0.000 1.149 237 S CA -0.556 57.335 58.200 -0.514 0.000 0.837 237 S CB 1.044 64.093 63.200 -0.252 0.000 1.124 237 S HN 0.539 nan 8.310 nan 0.000 0.465 238 Y N 0.625 120.825 120.300 -0.168 0.000 2.636 238 Y HA 0.471 5.022 4.550 0.001 0.000 0.260 238 Y C -0.731 174.701 175.900 -0.781 0.000 1.177 238 Y CA -0.948 56.883 58.100 -0.449 0.000 1.209 238 Y CB 0.350 38.553 38.460 -0.428 0.000 1.166 238 Y HN 0.508 nan 8.280 nan 0.000 0.531 239 W N -0.725 120.492 121.300 -0.139 0.000 2.785 239 W HA 0.540 5.200 4.660 0.001 0.000 0.333 239 W C -0.799 175.604 176.519 -0.194 0.000 1.062 239 W CA -1.153 56.101 57.345 -0.152 0.000 1.233 239 W CB 0.863 30.295 29.460 -0.047 0.000 1.413 239 W HN -0.267 nan 8.180 nan 0.000 0.489 240 F N 2.846 122.849 119.950 0.088 0.000 2.375 240 F HA 0.440 4.968 4.527 0.001 0.000 0.313 240 F C -1.420 174.408 175.800 0.047 0.000 1.176 240 F CA -2.095 55.898 58.000 -0.012 0.000 1.142 240 F CB -0.251 38.679 39.000 -0.117 0.000 1.275 240 F HN -0.043 nan 8.300 nan 0.000 0.544 241 P HA 0.125 nan 4.420 nan 0.000 0.274 241 P C -0.995 176.365 177.300 0.100 0.000 1.237 241 P CA -0.540 62.632 63.100 0.119 0.000 0.793 241 P CB 0.500 32.244 31.700 0.074 0.000 0.977 242 K N 0.717 121.151 120.400 0.058 0.000 2.380 242 K HA 0.277 4.598 4.320 0.001 0.000 0.267 242 K C 1.223 177.840 176.600 0.028 0.000 0.990 242 K CA 0.995 57.307 56.287 0.041 0.000 0.946 242 K CB -0.348 32.160 32.500 0.013 0.000 0.937 242 K HN 0.839 nan 8.250 nan 0.000 0.491 243 G N 1.463 110.278 108.800 0.024 0.000 2.176 243 G HA2 -0.315 3.645 3.960 0.001 0.000 0.253 243 G HA3 -0.315 3.645 3.960 0.001 0.000 0.253 243 G C 0.108 175.006 174.900 -0.003 0.000 0.979 243 G CA 0.300 45.407 45.100 0.010 0.000 0.641 243 G HN 0.589 nan 8.290 nan 0.000 0.530 244 K N 0.995 121.385 120.400 -0.016 0.000 2.489 244 K HA 0.250 4.570 4.320 0.001 0.000 0.278 244 K C 0.350 176.925 176.600 -0.042 0.000 1.000 244 K CA -0.001 56.243 56.287 -0.072 0.000 1.012 244 K CB 0.249 32.636 32.500 -0.190 0.000 0.903 244 K HN 0.195 nan 8.250 nan 0.000 0.485 245 E N 3.161 123.336 120.200 -0.042 0.000 2.351 245 E HA -0.013 4.338 4.350 0.001 0.000 0.266 245 E C -0.938 175.664 176.600 0.003 0.000 1.031 245 E CA 0.649 57.041 56.400 -0.015 0.000 0.911 245 E CB 0.619 30.311 29.700 -0.013 0.000 0.986 245 E HN 0.421 nan 8.360 nan 0.000 0.446 246 Q N 1.465 121.274 119.800 0.015 0.000 2.528 246 Q HA 0.621 4.962 4.340 0.001 0.000 0.289 246 Q C -0.950 175.045 176.000 -0.009 0.000 1.091 246 Q CA -1.260 54.556 55.803 0.023 0.000 0.797 246 Q CB 2.031 30.800 28.738 0.053 0.000 1.466 246 Q HN 0.482 nan 8.270 nan 0.000 0.436 247 V N -1.897 117.998 119.914 -0.033 0.000 3.177 247 V HA 0.644 4.764 4.120 0.001 0.000 0.319 247 V C -0.679 175.323 176.094 -0.152 0.000 1.125 247 V CA -0.841 61.422 62.300 -0.061 0.000 1.029 247 V CB 1.812 33.617 31.823 -0.031 0.000 1.119 247 V HN 0.685 nan 8.190 nan 0.000 0.452 248 N N -0.590 117.932 118.700 -0.296 0.000 2.483 248 N HA 0.669 5.410 4.740 0.001 0.000 0.285 248 N C -1.025 173.959 175.510 -0.877 0.000 1.210 248 N CA -0.169 52.525 53.050 -0.594 0.000 0.931 248 N CB 1.685 39.676 38.487 -0.827 0.000 1.220 248 N HN 0.902 nan 8.380 nan 0.000 0.542 249 C N -0.153 118.661 119.300 -0.810 0.000 2.719 249 C HA 0.615 5.076 4.460 0.001 0.000 0.327 249 C C -0.711 173.892 174.990 -0.645 0.000 1.238 249 C CA -0.795 57.953 59.018 -0.449 0.000 1.727 249 C CB 1.651 29.408 27.740 0.028 0.000 2.256 249 C HN 0.599 nan 8.230 nan 0.000 0.489 250 W N 0.962 122.313 121.300 0.086 0.000 2.950 250 W HA 0.686 5.346 4.660 0.000 0.000 0.340 250 W C -0.915 175.480 176.519 -0.206 0.000 1.139 250 W CA -0.587 56.769 57.345 0.018 0.000 1.188 250 W CB 1.153 30.750 29.460 0.229 0.000 1.426 250 W HN 0.375 nan 8.180 nan 0.000 0.531 251 I N 1.737 122.244 120.570 -0.105 0.000 2.493 251 I HA 0.602 4.773 4.170 0.001 0.000 0.298 251 I C 0.024 175.977 176.117 -0.272 0.000 0.998 251 I CA -0.266 60.777 61.300 -0.429 0.000 1.137 251 I CB 2.165 39.830 38.000 -0.559 0.000 1.310 251 I HN 0.192 nan 8.210 nan 0.000 0.445 252 T N 2.726 117.009 114.554 -0.452 0.000 2.731 252 T HA 0.614 4.964 4.350 0.001 0.000 0.300 252 T C -1.524 172.799 174.700 -0.628 0.000 1.283 252 T CA -0.747 61.170 62.100 -0.305 0.000 1.005 252 T CB 1.718 70.530 68.868 -0.093 0.000 1.420 252 T HN 0.310 nan 8.240 nan 0.000 0.503 253 Y N 0.036 120.342 120.300 0.009 0.000 2.615 253 Y HA 0.565 5.116 4.550 0.001 0.000 0.341 253 Y C 0.685 176.609 175.900 0.039 0.000 1.089 253 Y CA -1.213 56.907 58.100 0.034 0.000 1.049 253 Y CB 1.181 39.648 38.460 0.010 0.000 1.296 253 Y HN 0.805 nan 8.280 nan 0.000 0.470 254 T N -1.610 113.091 114.554 0.246 0.000 2.849 254 T HA 0.598 4.949 4.350 0.001 0.000 0.284 254 T C 0.128 174.845 174.700 0.028 0.000 1.004 254 T CA -0.391 61.808 62.100 0.166 0.000 1.021 254 T CB 1.283 70.355 68.868 0.340 0.000 1.013 254 T HN 0.768 nan 8.240 nan 0.000 0.527 255 T N -2.219 112.271 114.554 -0.107 0.000 2.926 255 T HA 0.537 4.888 4.350 0.001 0.000 0.289 255 T C -2.303 172.143 174.700 -0.423 0.000 1.054 255 T CA -2.160 59.821 62.100 -0.197 0.000 1.015 255 T CB 1.409 70.220 68.868 -0.094 0.000 1.167 255 T HN 0.245 nan 8.240 nan 0.000 0.526 256 P HA -0.042 nan 4.420 nan 0.000 0.218 256 P C 1.418 178.626 177.300 -0.153 0.000 1.148 256 P CA 0.935 63.860 63.100 -0.292 0.000 0.822 256 P CB 0.123 31.743 31.700 -0.134 0.000 0.784 257 K N -0.630 119.707 120.400 -0.105 0.000 2.097 257 K HA -0.103 4.218 4.320 0.001 0.000 0.205 257 K C 1.624 178.217 176.600 -0.012 0.000 1.050 257 K CA 1.660 57.924 56.287 -0.039 0.000 0.938 257 K CB -0.513 31.970 32.500 -0.028 0.000 0.718 257 K HN 0.043 nan 8.250 nan 0.000 0.442 258 T N 0.387 114.923 114.554 -0.031 0.000 2.684 258 T HA -0.147 4.203 4.350 0.001 0.000 0.267 258 T C 1.470 176.262 174.700 0.154 0.000 1.036 258 T CA 1.671 63.800 62.100 0.048 0.000 1.148 258 T CB -0.495 68.420 68.868 0.078 0.000 0.863 258 T HN 0.508 nan 8.240 nan 0.000 0.436 259 H N 0.344 119.428 119.070 0.024 0.000 2.421 259 H HA 0.025 4.581 4.556 0.001 0.000 0.298 259 H C 2.475 177.810 175.328 0.011 0.000 1.087 259 H CA 0.976 57.041 56.048 0.027 0.000 1.330 259 H CB 0.104 29.896 29.762 0.051 0.000 1.388 259 H HN 0.400 nan 8.280 nan 0.000 0.526 260 E N 0.994 121.270 120.200 0.127 0.000 2.208 260 E HA -0.089 4.261 4.350 0.001 0.000 0.193 260 E C 1.983 178.612 176.600 0.048 0.000 0.988 260 E CA 0.204 56.646 56.400 0.069 0.000 0.828 260 E CB 0.185 29.910 29.700 0.041 0.000 0.763 260 E HN 0.468 nan 8.360 nan 0.000 0.478 261 I N 0.666 121.264 120.570 0.047 0.000 2.315 261 I HA -0.245 3.925 4.170 0.001 0.000 0.248 261 I C 2.131 178.260 176.117 0.020 0.000 1.117 261 I CA 0.819 62.137 61.300 0.029 0.000 1.404 261 I CB -0.058 37.957 38.000 0.025 0.000 1.071 261 I HN 0.183 nan 8.210 nan 0.000 0.419 262 I N 0.277 120.860 120.570 0.021 0.000 2.353 262 I HA -0.223 3.947 4.170 0.001 0.000 0.248 262 I C 2.609 178.725 176.117 -0.001 0.000 1.119 262 I CA 1.120 62.417 61.300 -0.005 0.000 1.417 262 I CB -0.333 37.652 38.000 -0.025 0.000 1.078 262 I HN 0.145 nan 8.210 nan 0.000 0.421 263 R N 0.974 121.482 120.500 0.013 0.000 2.092 263 R HA -0.106 4.234 4.340 0.001 0.000 0.231 263 R C 2.225 178.534 176.300 0.014 0.000 1.119 263 R CA 1.066 57.171 56.100 0.009 0.000 0.970 263 R CB -0.160 30.151 30.300 0.018 0.000 0.864 263 R HN 0.327 nan 8.270 nan 0.000 0.440 264 K N 0.236 120.647 120.400 0.019 0.000 2.147 264 K HA -0.045 4.276 4.320 0.001 0.000 0.205 264 K C 0.932 177.545 176.600 0.022 0.000 1.049 264 K CA 0.829 57.128 56.287 0.019 0.000 0.936 264 K CB 0.044 32.555 32.500 0.019 0.000 0.722 264 K HN 0.142 nan 8.250 nan 0.000 0.446 265 N N 0.849 119.563 118.700 0.023 0.000 2.320 265 N HA 0.061 4.801 4.740 0.001 0.000 0.237 265 N C -1.028 174.524 175.510 0.070 0.000 1.129 265 N CA 0.048 53.118 53.050 0.033 0.000 0.854 265 N CB 0.506 39.002 38.487 0.016 0.000 1.083 265 N HN -0.003 nan 8.380 nan 0.000 0.504 266 L N 2.005 123.269 121.223 0.068 0.000 2.341 266 L HA 0.296 4.636 4.340 0.001 0.000 0.278 266 L C -0.360 176.580 176.870 0.118 0.000 1.005 266 L CA -0.829 54.059 54.840 0.079 0.000 0.818 266 L CB 0.998 43.048 42.059 -0.014 0.000 1.259 266 L HN 0.211 nan 8.230 nan 0.000 0.418 267 H N 3.142 122.195 119.070 -0.030 0.000 2.529 267 H HA 0.561 5.117 4.556 0.001 0.000 0.348 267 H C -0.715 174.594 175.328 -0.031 0.000 1.152 267 H CA -1.045 54.988 56.048 -0.025 0.000 1.202 267 H CB 0.843 30.594 29.762 -0.019 0.000 1.562 267 H HN 0.498 nan 8.280 nan 0.000 0.515 268 R N 1.330 121.820 120.500 -0.017 0.000 2.543 268 R HA 0.402 4.742 4.340 0.001 0.000 0.277 268 R C -0.440 175.808 176.300 -0.086 0.000 1.074 268 R CA -0.076 55.980 56.100 -0.073 0.000 1.076 268 R CB 0.552 30.834 30.300 -0.029 0.000 0.993 268 R HN 0.667 nan 8.270 nan 0.000 0.459 269 T N 0.465 114.951 114.554 -0.113 0.000 2.894 269 T HA 0.411 4.761 4.350 0.001 0.000 0.309 269 T C -0.356 174.297 174.700 -0.079 0.000 1.208 269 T CA -0.658 61.386 62.100 -0.094 0.000 1.016 269 T CB 2.021 70.804 68.868 -0.142 0.000 1.192 269 T HN 0.713 nan 8.240 nan 0.000 0.491 283 Y N 2.988 123.271 120.300 -0.028 0.000 2.650 283 Y HA 0.284 4.834 4.550 0.001 0.000 0.343 283 Y C -0.783 175.102 175.900 -0.025 0.000 1.078 283 Y CA -0.726 57.384 58.100 0.017 0.000 1.356 283 Y CB 0.547 39.038 38.460 0.052 0.000 1.204 283 Y HN 0.224 nan 8.280 nan 0.000 0.508 284 C N 9.127 128.260 119.300 -0.278 0.000 2.248 284 C HA 0.229 4.690 4.460 0.001 0.000 0.320 284 C C -0.835 173.918 174.990 -0.395 0.000 1.065 284 C CA -1.338 57.512 59.018 -0.279 0.000 1.558 284 C CB -0.129 27.485 27.740 -0.210 0.000 1.787 284 C HN 0.688 nan 8.230 nan 0.000 0.426 285 P HA -0.078 nan 4.420 nan 0.000 0.228 285 P C 0.611 177.763 177.300 -0.246 0.000 1.151 285 P CA 0.879 63.718 63.100 -0.436 0.000 0.770 285 P CB -0.010 31.487 31.700 -0.338 0.000 0.786 286 S N 0.058 115.632 115.700 -0.210 0.000 2.509 286 S HA 0.031 4.501 4.470 0.001 0.000 0.287 286 S C 1.300 175.780 174.600 -0.199 0.000 1.248 286 S CA -0.684 57.413 58.200 -0.172 0.000 1.089 286 S CB -0.041 63.068 63.200 -0.152 0.000 0.900 286 S HN -0.114 nan 8.310 nan 0.000 0.496 287 I N 3.287 123.738 120.570 -0.198 0.000 2.182 287 I HA -0.317 3.853 4.170 0.001 0.000 0.248 287 I C 2.412 178.386 176.117 -0.238 0.000 1.073 287 I CA 2.372 63.525 61.300 -0.244 0.000 1.335 287 I CB -0.598 37.281 38.000 -0.202 0.000 1.031 287 I HN 0.955 nan 8.210 nan 0.000 0.420 288 E N -1.006 119.083 120.200 -0.186 0.000 2.204 288 E HA -0.237 4.113 4.350 0.001 0.000 0.195 288 E C 1.331 177.827 176.600 -0.173 0.000 0.990 288 E CA 1.506 57.809 56.400 -0.161 0.000 0.821 288 E CB -0.450 29.171 29.700 -0.131 0.000 0.750 288 E HN 0.535 nan 8.360 nan 0.000 0.477 289 D N 1.757 122.042 120.400 -0.191 0.000 2.201 289 D HA -0.080 4.560 4.640 0.001 0.000 0.209 289 D C 1.647 177.808 176.300 -0.232 0.000 0.961 289 D CA 1.338 55.216 54.000 -0.203 0.000 0.861 289 D CB -0.072 40.606 40.800 -0.204 0.000 0.997 289 D HN 0.381 nan 8.370 nan 0.000 0.486 290 K N 1.392 121.654 120.400 -0.230 0.000 2.589 290 K HA 0.023 4.343 4.320 0.001 0.000 0.192 290 K C 1.584 178.134 176.600 -0.084 0.000 1.029 290 K CA 0.547 56.734 56.287 -0.166 0.000 1.031 290 K CB -0.343 32.117 32.500 -0.067 0.000 0.821 290 K HN 0.325 nan 8.250 nan 0.000 0.502 291 I N -3.860 116.611 120.570 -0.164 0.000 4.070 291 I HA 0.086 4.256 4.170 0.001 0.000 0.328 291 I C 1.026 177.085 176.117 -0.096 0.000 1.298 291 I CA -0.373 60.861 61.300 -0.110 0.000 1.173 291 I CB 0.652 38.502 38.000 -0.250 0.000 1.051 291 I HN -0.147 nan 8.210 nan 0.000 0.409 292 V N 1.182 121.008 119.914 -0.148 0.000 3.307 292 V HA 0.071 4.191 4.120 0.001 0.000 0.253 292 V C 2.283 178.260 176.094 -0.194 0.000 1.149 292 V CA 1.003 63.220 62.300 -0.139 0.000 1.112 292 V CB -0.182 31.556 31.823 -0.142 0.000 0.777 292 V HN 0.383 nan 8.190 nan 0.000 0.464 293 K N -0.273 119.930 120.400 -0.328 0.000 2.323 293 K HA 0.106 4.427 4.320 0.001 0.000 0.197 293 K C 0.073 176.241 176.600 -0.720 0.000 1.043 293 K CA 0.644 56.580 56.287 -0.585 0.000 0.997 293 K CB 0.352 32.338 32.500 -0.857 0.000 0.807 293 K HN 0.409 nan 8.250 nan 0.000 0.497 294 F N 0.486 120.428 119.950 -0.014 0.000 2.564 294 F HA 0.348 4.875 4.527 0.001 0.000 0.329 294 F C -2.254 173.557 175.800 0.018 0.000 1.458 294 F CA -2.523 55.488 58.000 0.018 0.000 1.117 294 F CB 1.412 40.451 39.000 0.065 0.000 1.383 294 F HN -0.075 nan 8.300 nan 0.000 0.571 295 P HA -0.160 nan 4.420 nan 0.000 0.218 295 P C 0.944 178.301 177.300 0.095 0.000 1.146 295 P CA 1.531 64.675 63.100 0.072 0.000 0.813 295 P CB 0.321 32.041 31.700 0.033 0.000 0.778 296 D N -1.421 119.044 120.400 0.108 0.000 2.349 296 D HA -0.007 4.633 4.640 0.001 0.000 0.215 296 D C 0.672 177.007 176.300 0.058 0.000 1.016 296 D CA 0.429 54.475 54.000 0.077 0.000 0.870 296 D CB -0.000 40.837 40.800 0.063 0.000 0.917 296 D HN 0.233 nan 8.370 nan 0.000 0.524 297 K N 2.039 122.478 120.400 0.064 0.000 2.349 297 K HA -0.011 4.309 4.320 0.001 0.000 0.288 297 K C 1.220 177.826 176.600 0.010 0.000 1.058 297 K CA -0.059 56.203 56.287 -0.041 0.000 0.953 297 K CB 1.124 33.517 32.500 -0.178 0.000 0.997 297 K HN -0.113 nan 8.250 nan 0.000 0.477 298 E N 4.588 124.781 120.200 -0.011 0.000 2.152 298 E HA -0.119 4.231 4.350 0.001 0.000 0.192 298 E C -0.362 176.241 176.600 0.004 0.000 0.983 298 E CA 1.090 57.499 56.400 0.015 0.000 0.818 298 E CB 0.401 30.075 29.700 -0.044 0.000 0.758 298 E HN 0.585 nan 8.360 nan 0.000 0.467 299 R N -0.998 119.468 120.500 -0.057 0.000 2.774 299 R HA 0.489 4.829 4.340 0.001 0.000 0.272 299 R C -0.851 175.381 176.300 -0.112 0.000 1.000 299 R CA -0.783 55.316 56.100 -0.003 0.000 0.906 299 R CB 1.043 31.338 30.300 -0.008 0.000 1.227 299 R HN -0.089 nan 8.270 nan 0.000 0.468 300 H N 0.681 119.915 119.070 0.274 0.000 2.600 300 H HA 0.232 4.788 4.556 0.001 0.000 0.357 300 H C -1.006 174.443 175.328 0.202 0.000 1.106 300 H CA -0.849 55.322 56.048 0.205 0.000 1.193 300 H CB 2.377 32.224 29.762 0.142 0.000 1.594 300 H HN 0.616 nan 8.280 nan 0.000 0.526 301 Q N 2.465 122.424 119.800 0.265 0.000 2.352 301 Q HA 0.366 4.706 4.340 0.001 0.000 0.260 301 Q C -0.804 175.195 176.000 -0.002 0.000 0.976 301 Q CA -0.061 55.738 55.803 -0.006 0.000 0.881 301 Q CB 0.559 29.337 28.738 0.067 0.000 1.235 301 Q HN 0.514 nan 8.270 nan 0.000 0.419 302 I N 3.320 123.783 120.570 -0.178 0.000 2.533 302 I HA 0.298 4.468 4.170 0.001 0.000 0.290 302 I C -1.217 174.860 176.117 -0.066 0.000 1.056 302 I CA -0.660 60.628 61.300 -0.020 0.000 1.057 302 I CB 1.457 39.447 38.000 -0.017 0.000 1.240 302 I HN 0.556 nan 8.210 nan 0.000 0.423 303 F N 6.193 126.156 119.950 0.021 0.000 2.388 303 F HA 0.469 4.996 4.527 0.000 0.000 0.358 303 F C -0.166 175.725 175.800 0.153 0.000 1.122 303 F CA -0.435 57.605 58.000 0.068 0.000 1.056 303 F CB 1.298 40.333 39.000 0.058 0.000 1.155 303 F HN 0.144 nan 8.300 nan 0.000 0.461 304 L N 5.497 126.897 121.223 0.296 0.000 2.261 304 L HA 0.378 4.718 4.340 0.001 0.000 0.289 304 L C -0.277 176.871 176.870 0.462 0.000 1.059 304 L CA -0.369 54.692 54.840 0.369 0.000 0.816 304 L CB 0.440 42.736 42.059 0.395 0.000 1.191 304 L HN 0.587 nan 8.230 nan 0.000 0.431 305 E N 3.857 124.296 120.200 0.398 0.000 2.238 305 E HA 0.596 4.946 4.350 0.001 0.000 0.267 305 E C -2.804 173.965 176.600 0.282 0.000 0.887 305 E CA -2.542 54.047 56.400 0.316 0.000 0.769 305 E CB 1.793 31.617 29.700 0.207 0.000 1.187 305 E HN 0.185 nan 8.360 nan 0.000 0.416 306 P HA 0.073 nan 4.420 nan 0.000 0.274 306 P C -0.226 177.143 177.300 0.116 0.000 1.237 306 P CA -0.217 62.994 63.100 0.184 0.000 0.793 306 P CB 0.652 32.448 31.700 0.159 0.000 0.977 307 E N -0.041 120.220 120.200 0.102 0.000 2.526 307 E HA 0.324 4.674 4.350 0.001 0.000 0.208 307 E C 0.611 177.238 176.600 0.046 0.000 0.997 307 E CA -0.110 56.331 56.400 0.068 0.000 0.961 307 E CB 0.512 30.268 29.700 0.095 0.000 1.030 307 E HN 0.651 nan 8.360 nan 0.000 0.483 308 G N -0.063 108.766 108.800 0.050 0.000 2.313 308 G HA2 0.086 4.046 3.960 0.001 0.000 0.296 308 G HA3 0.086 4.046 3.960 0.001 0.000 0.296 308 G C -0.101 174.825 174.900 0.043 0.000 1.356 308 G CA -0.856 44.268 45.100 0.040 0.000 0.833 308 G HN -0.007 nan 8.290 nan 0.000 0.552 309 L N -0.273 120.973 121.223 0.037 0.000 2.209 309 L HA 0.151 4.492 4.340 0.001 0.000 0.207 309 L C 1.825 178.716 176.870 0.034 0.000 1.094 309 L CA 0.862 55.723 54.840 0.035 0.000 0.790 309 L CB -0.132 41.945 42.059 0.029 0.000 0.932 309 L HN 0.438 nan 8.230 nan 0.000 0.447 310 D N -0.960 119.461 120.400 0.035 0.000 2.271 310 D HA -0.026 4.615 4.640 0.001 0.000 0.206 310 D C 1.149 177.470 176.300 0.034 0.000 0.967 310 D CA 0.582 54.600 54.000 0.032 0.000 0.867 310 D CB 0.269 41.087 40.800 0.031 0.000 0.960 310 D HN 0.062 nan 8.370 nan 0.000 0.509 311 T N 0.284 114.863 114.554 0.041 0.000 2.913 311 T HA 0.327 4.678 4.350 0.001 0.000 0.287 311 T C 1.373 176.102 174.700 0.049 0.000 1.008 311 T CA -0.601 61.527 62.100 0.046 0.000 1.067 311 T CB 0.792 69.692 68.868 0.055 0.000 0.996 311 T HN 0.070 nan 8.240 nan 0.000 0.513 312 I N 0.041 120.640 120.570 0.047 0.000 3.956 312 I HA 0.470 4.640 4.170 0.001 0.000 0.333 312 I C 0.442 176.597 176.117 0.065 0.000 1.302 312 I CA -0.442 60.887 61.300 0.048 0.000 1.122 312 I CB 0.008 38.029 38.000 0.036 0.000 1.013 312 I HN 0.474 nan 8.210 nan 0.000 0.405 313 E N 2.610 122.853 120.200 0.073 0.000 2.344 313 E HA 0.336 4.687 4.350 0.001 0.000 0.270 313 E C -0.513 176.160 176.600 0.121 0.000 1.021 313 E CA -0.178 56.273 56.400 0.086 0.000 0.887 313 E CB 1.562 31.316 29.700 0.090 0.000 0.997 313 E HN 0.239 nan 8.360 nan 0.000 0.429 314 I N 3.556 124.202 120.570 0.125 0.000 2.433 314 I HA 0.127 4.297 4.170 0.001 0.000 0.292 314 I C -0.740 175.489 176.117 0.186 0.000 1.001 314 I CA -0.701 60.705 61.300 0.178 0.000 1.119 314 I CB 1.057 39.165 38.000 0.181 0.000 1.289 314 I HN 0.560 nan 8.210 nan 0.000 0.438 315 Y N 9.243 129.606 120.300 0.106 0.000 2.404 315 Y HA 0.402 4.952 4.550 0.000 0.000 0.344 315 Y C -2.021 173.950 175.900 0.118 0.000 0.970 315 Y CA -2.259 55.897 58.100 0.093 0.000 1.180 315 Y CB 1.188 39.701 38.460 0.087 0.000 1.138 315 Y HN 0.296 nan 8.280 nan 0.000 0.510 316 P HA 0.057 nan 4.420 nan 0.000 0.256 316 P C -0.971 176.310 177.300 -0.032 0.000 1.689 316 P CA -0.191 62.917 63.100 0.012 0.000 1.124 316 P CB 0.201 31.926 31.700 0.042 0.000 1.766 317 N N 2.884 121.722 118.700 0.230 0.000 2.452 317 N HA 0.250 4.990 4.740 0.001 0.000 0.266 317 N C 1.442 177.058 175.510 0.177 0.000 1.209 317 N CA 1.680 54.910 53.050 0.301 0.000 0.929 317 N CB -0.264 38.460 38.487 0.396 0.000 1.063 317 N HN 0.606 nan 8.380 nan 0.000 0.472 318 G N 2.642 111.503 108.800 0.101 0.000 2.192 318 G HA2 -0.176 3.785 3.960 0.001 0.000 0.193 318 G HA3 -0.176 3.785 3.960 0.001 0.000 0.193 318 G C 0.172 175.069 174.900 -0.005 0.000 0.999 318 G CA 0.032 45.165 45.100 0.055 0.000 0.659 318 G HN 0.527 nan 8.290 nan 0.000 0.503 319 L N 2.286 123.503 121.223 -0.011 0.000 3.209 319 L HA 0.353 4.693 4.340 0.001 0.000 0.279 319 L C 0.580 177.418 176.870 -0.053 0.000 1.301 319 L CA -0.304 54.511 54.840 -0.041 0.000 1.004 319 L CB 0.867 42.958 42.059 0.052 0.000 1.402 319 L HN 0.144 nan 8.230 nan 0.000 0.577 320 S N 0.465 116.119 115.700 -0.075 0.000 2.549 320 S HA 0.416 4.886 4.470 0.001 0.000 0.279 320 S C 0.295 174.841 174.600 -0.091 0.000 1.321 320 S CA 0.104 58.257 58.200 -0.079 0.000 1.054 320 S CB 1.457 64.609 63.200 -0.079 0.000 0.899 320 S HN 0.427 nan 8.310 nan 0.000 0.497 321 T N -0.311 114.203 114.554 -0.067 0.000 2.786 321 T HA 0.480 4.830 4.350 0.001 0.000 0.316 321 T C -0.293 174.394 174.700 -0.022 0.000 1.503 321 T CA -0.314 61.745 62.100 -0.069 0.000 1.019 321 T CB 1.004 69.813 68.868 -0.098 0.000 1.415 321 T HN 0.546 nan 8.240 nan 0.000 0.496 322 S N 1.709 117.400 115.700 -0.015 0.000 2.855 322 S HA 0.418 4.889 4.470 0.001 0.000 0.249 322 S C 0.311 174.936 174.600 0.041 0.000 1.033 322 S CA -0.570 57.655 58.200 0.042 0.000 1.038 322 S CB -0.526 62.699 63.200 0.043 0.000 0.960 322 S HN 0.625 nan 8.310 nan 0.000 0.548 323 L N 1.632 122.857 121.223 0.002 0.000 2.476 323 L HA 0.393 4.733 4.340 0.001 0.000 0.264 323 L C -2.263 174.594 176.870 -0.022 0.000 1.224 323 L CA -2.208 52.628 54.840 -0.007 0.000 0.821 323 L CB -0.042 41.992 42.059 -0.042 0.000 1.101 323 L HN 0.040 nan 8.230 nan 0.000 0.488 324 P HA -0.042 nan 4.420 nan 0.000 0.267 324 P C 0.224 177.410 177.300 -0.190 0.000 1.200 324 P CA 0.006 63.051 63.100 -0.093 0.000 0.772 324 P CB 0.527 32.173 31.700 -0.090 0.000 0.855 325 E N 2.530 122.563 120.200 -0.278 0.000 2.085 325 E HA -0.274 4.076 4.350 0.001 0.000 0.194 325 E C 1.543 177.559 176.600 -0.974 0.000 0.994 325 E CA 1.198 57.287 56.400 -0.518 0.000 0.801 325 E CB -0.003 29.395 29.700 -0.504 0.000 0.743 325 E HN 0.508 nan 8.360 nan 0.000 0.453 326 E N 0.320 120.014 120.200 -0.843 0.000 2.204 326 E HA -0.143 4.207 4.350 0.001 0.000 0.195 326 E C 2.084 178.552 176.600 -0.221 0.000 0.990 326 E CA 1.092 57.069 56.400 -0.706 0.000 0.821 326 E CB -0.223 29.340 29.700 -0.228 0.000 0.750 326 E HN 0.249 nan 8.360 nan 0.000 0.477 327 V N 1.474 121.277 119.914 -0.185 0.000 2.488 327 V HA -0.196 3.924 4.120 0.001 0.000 0.246 327 V C 2.588 178.652 176.094 -0.050 0.000 1.046 327 V CA 1.671 63.932 62.300 -0.066 0.000 1.053 327 V CB -0.525 31.263 31.823 -0.059 0.000 0.679 327 V HN 0.195 nan 8.190 nan 0.000 0.458 328 Q N -0.963 118.769 119.800 -0.113 0.000 2.096 328 Q HA -0.229 4.111 4.340 0.001 0.000 0.204 328 Q C 2.238 178.373 176.000 0.226 0.000 0.982 328 Q CA 2.060 57.865 55.803 0.003 0.000 0.850 328 Q CB -0.206 28.561 28.738 0.049 0.000 0.901 328 Q HN 0.673 nan 8.270 nan 0.000 0.422 329 W N 1.034 122.424 121.300 0.150 0.000 2.321 329 W HA -0.190 4.470 4.660 0.000 0.000 0.306 329 W C 1.964 178.543 176.519 0.100 0.000 1.217 329 W CA 1.066 58.488 57.345 0.130 0.000 1.257 329 W CB -0.926 28.577 29.460 0.071 0.000 1.145 329 W HN 0.360 nan 8.180 nan 0.000 0.509 330 E N 0.358 120.736 120.200 0.297 0.000 2.047 330 E HA -0.238 4.112 4.350 0.001 0.000 0.191 330 E C 2.275 178.936 176.600 0.102 0.000 0.987 330 E CA 2.035 58.536 56.400 0.169 0.000 0.799 330 E CB -0.307 29.464 29.700 0.119 0.000 0.752 330 E HN 0.299 nan 8.360 nan 0.000 0.449 331 M N -1.079 118.546 119.600 0.041 0.000 2.156 331 M HA -0.118 4.362 4.480 0.001 0.000 0.264 331 M C 1.729 178.004 176.300 -0.041 0.000 1.067 331 M CA 1.385 56.658 55.300 -0.045 0.000 1.131 331 M CB -0.576 31.928 32.600 -0.161 0.000 1.368 331 M HN -0.026 nan 8.290 nan 0.000 0.416 332 Y N 1.244 121.580 120.300 0.060 0.000 2.207 332 Y HA -0.068 4.482 4.550 0.001 0.000 0.287 332 Y C 2.312 178.233 175.900 0.034 0.000 1.156 332 Y CA 1.649 59.777 58.100 0.046 0.000 1.182 332 Y CB -0.425 38.073 38.460 0.064 0.000 0.979 332 Y HN 0.284 nan 8.280 nan 0.000 0.521 333 R N -0.393 120.227 120.500 0.199 0.000 2.323 333 R HA -0.023 4.317 4.340 0.001 0.000 0.198 333 R C 1.966 178.304 176.300 0.063 0.000 0.988 333 R CA 0.870 57.036 56.100 0.110 0.000 1.041 333 R CB -0.165 30.195 30.300 0.099 0.000 0.926 333 R HN 0.312 nan 8.270 nan 0.000 0.476 334 S N -0.381 115.353 115.700 0.058 0.000 2.524 334 S HA 0.149 4.619 4.470 0.001 0.000 0.216 334 S C 0.771 175.385 174.600 0.024 0.000 0.987 334 S CA -0.210 58.008 58.200 0.030 0.000 0.909 334 S CB 0.172 63.385 63.200 0.021 0.000 0.781 334 S HN 0.070 nan 8.310 nan 0.000 0.521 335 I N 3.136 123.730 120.570 0.039 0.000 2.371 335 I HA 0.315 4.486 4.170 0.001 0.000 0.290 335 I C -2.569 173.557 176.117 0.015 0.000 1.028 335 I CA -2.707 58.615 61.300 0.038 0.000 1.345 335 I CB 1.018 39.055 38.000 0.062 0.000 1.407 335 I HN -0.066 nan 8.210 nan 0.000 0.501 336 P HA -0.026 nan 4.420 nan 0.000 0.258 336 P C 0.800 178.070 177.300 -0.050 0.000 1.172 336 P CA 0.937 64.032 63.100 -0.007 0.000 0.762 336 P CB 0.454 32.168 31.700 0.022 0.000 0.764 337 G N 2.784 111.532 108.800 -0.086 0.000 2.254 337 G HA2 -0.247 3.713 3.960 0.001 0.000 0.225 337 G HA3 -0.247 3.713 3.960 0.001 0.000 0.225 337 G C 0.534 175.315 174.900 -0.199 0.000 1.003 337 G CA -0.044 44.950 45.100 -0.177 0.000 0.622 337 G HN 0.491 nan 8.290 nan 0.000 0.507 338 L N 0.646 121.801 121.223 -0.113 0.000 2.769 338 L HA 0.338 4.678 4.340 0.001 0.000 0.240 338 L C 2.020 178.871 176.870 -0.031 0.000 1.163 338 L CA 0.209 55.003 54.840 -0.077 0.000 0.962 338 L CB 0.313 42.368 42.059 -0.006 0.000 1.258 338 L HN 0.086 nan 8.230 nan 0.000 0.513 339 E N 1.009 121.187 120.200 -0.037 0.000 2.147 339 E HA -0.193 4.157 4.350 0.001 0.000 0.199 339 E C 0.941 177.527 176.600 -0.023 0.000 1.005 339 E CA 1.246 57.634 56.400 -0.019 0.000 0.810 339 E CB -0.076 29.607 29.700 -0.028 0.000 0.736 339 E HN 0.375 nan 8.360 nan 0.000 0.460 340 N N -0.036 118.638 118.700 -0.044 0.000 2.351 340 N HA 0.080 4.820 4.740 0.001 0.000 0.254 340 N C -0.682 174.792 175.510 -0.059 0.000 1.241 340 N CA -0.083 52.936 53.050 -0.051 0.000 0.883 340 N CB 1.216 39.670 38.487 -0.055 0.000 1.202 340 N HN -0.017 nan 8.380 nan 0.000 0.512 341 V N 1.341 121.224 119.914 -0.051 0.000 2.843 341 V HA 0.141 4.262 4.120 0.001 0.000 0.305 341 V C -0.088 175.975 176.094 -0.052 0.000 1.065 341 V CA 0.048 62.312 62.300 -0.059 0.000 1.116 341 V CB 1.305 33.090 31.823 -0.062 0.000 0.968 341 V HN -0.109 nan 8.190 nan 0.000 0.487 342 V N 7.307 127.186 119.914 -0.057 0.000 2.448 342 V HA 0.417 4.538 4.120 0.001 0.000 0.295 342 V C 0.060 176.137 176.094 -0.029 0.000 1.025 342 V CA -0.655 61.615 62.300 -0.051 0.000 0.859 342 V CB 1.559 33.350 31.823 -0.053 0.000 0.988 342 V HN 0.691 nan 8.190 nan 0.000 0.431 343 L N 5.015 126.250 121.223 0.020 0.000 2.395 343 L HA 0.447 4.787 4.340 0.001 0.000 0.269 343 L C 0.836 177.729 176.870 0.039 0.000 1.133 343 L CA -0.058 54.795 54.840 0.022 0.000 0.812 343 L CB 1.046 43.175 42.059 0.115 0.000 1.125 343 L HN 0.613 nan 8.230 nan 0.000 0.452 344 I N 0.611 121.194 120.570 0.023 0.000 3.445 344 I HA 0.114 4.285 4.170 0.001 0.000 0.288 344 I C 0.554 176.701 176.117 0.050 0.000 1.198 344 I CA 0.270 61.592 61.300 0.036 0.000 1.417 344 I CB 0.348 38.367 38.000 0.032 0.000 1.205 344 I HN 0.578 nan 8.210 nan 0.000 0.448 345 R N 1.796 122.325 120.500 0.048 0.000 2.574 345 R HA 0.372 4.713 4.340 0.001 0.000 0.288 345 R C -2.668 173.674 176.300 0.071 0.000 1.004 345 R CA -1.725 54.414 56.100 0.064 0.000 0.895 345 R CB 1.874 32.226 30.300 0.086 0.000 1.191 345 R HN -0.148 nan 8.270 nan 0.000 0.444 346 P HA 0.105 nan 4.420 nan 0.000 0.274 346 P C -0.729 176.679 177.300 0.179 0.000 1.237 346 P CA -0.285 62.872 63.100 0.095 0.000 0.793 346 P CB 0.907 32.639 31.700 0.052 0.000 0.977 347 A N 2.192 125.122 122.820 0.184 0.000 2.322 347 A HA 0.621 4.941 4.320 0.001 0.000 0.269 347 A C -0.540 177.213 177.584 0.280 0.000 1.094 347 A CA -0.005 52.154 52.037 0.204 0.000 0.807 347 A CB -0.238 18.868 19.000 0.177 0.000 1.047 347 A HN 0.703 nan 8.150 nan 0.000 0.487 348 Y N -2.381 117.949 120.300 0.050 0.000 2.725 348 Y HA 0.742 5.292 4.550 0.001 0.000 0.333 348 Y C -0.540 175.407 175.900 0.078 0.000 1.242 348 Y CA -1.052 57.086 58.100 0.062 0.000 1.059 348 Y CB 0.697 39.192 38.460 0.059 0.000 1.306 348 Y HN 1.071 nan 8.280 nan 0.000 0.454 349 A N 1.270 124.198 122.820 0.180 0.000 2.401 349 A HA 0.805 5.125 4.320 0.001 0.000 0.310 349 A C -1.989 175.786 177.584 0.318 0.000 1.075 349 A CA -0.745 51.346 52.037 0.091 0.000 0.746 349 A CB 1.456 20.500 19.000 0.073 0.000 1.277 349 A HN 0.827 nan 8.150 nan 0.000 0.425 350 I N 0.415 121.134 120.570 0.249 0.000 2.509 350 I HA 0.504 4.674 4.170 0.001 0.000 0.293 350 I C -0.334 176.023 176.117 0.399 0.000 1.020 350 I CA -0.195 61.326 61.300 0.370 0.000 1.088 350 I CB 1.842 40.033 38.000 0.318 0.000 1.267 350 I HN 0.752 nan 8.210 nan 0.000 0.430 351 E N 6.487 126.936 120.200 0.415 0.000 2.199 351 E HA 0.510 4.861 4.350 0.001 0.000 0.265 351 E C -1.932 174.839 176.600 0.285 0.000 0.882 351 E CA -0.557 56.005 56.400 0.269 0.000 0.759 351 E CB 1.320 31.209 29.700 0.315 0.000 1.148 351 E HN 0.510 nan 8.360 nan 0.000 0.412 352 Y N 0.548 120.946 120.300 0.163 0.000 2.615 352 Y HA 0.513 5.063 4.550 0.001 0.000 0.341 352 Y C -0.743 175.224 175.900 0.112 0.000 1.089 352 Y CA -1.592 56.593 58.100 0.141 0.000 1.049 352 Y CB 0.518 39.074 38.460 0.160 0.000 1.296 352 Y HN 0.203 nan 8.280 nan 0.000 0.470 353 D N 0.908 121.443 120.400 0.226 0.000 2.341 353 D HA 0.499 5.139 4.640 0.001 0.000 0.245 353 D C -0.891 175.488 176.300 0.132 0.000 1.106 353 D CA 0.116 54.181 54.000 0.108 0.000 0.905 353 D CB 1.851 42.747 40.800 0.160 0.000 1.202 353 D HN 0.470 nan 8.370 nan 0.000 0.426 354 V N 1.875 121.693 119.914 -0.160 0.000 2.808 354 V HA 0.238 4.359 4.120 0.001 0.000 0.308 354 V C -0.322 175.443 176.094 -0.549 0.000 1.099 354 V CA -0.889 61.186 62.300 -0.374 0.000 0.920 354 V CB 2.429 33.955 31.823 -0.495 0.000 1.014 354 V HN 0.231 nan 8.190 nan 0.000 0.425 355 V N 6.264 125.655 119.914 -0.870 0.000 2.350 355 V HA 0.337 4.457 4.120 0.001 0.000 0.276 355 V C -2.286 173.576 176.094 -0.386 0.000 1.028 355 V CA -2.080 59.846 62.300 -0.623 0.000 0.860 355 V CB 1.675 33.015 31.823 -0.804 0.000 0.990 355 V HN 0.747 nan 8.190 nan 0.000 0.453 356 P HA 0.025 nan 4.420 nan 0.000 0.259 356 P C -2.024 175.215 177.300 -0.101 0.000 1.163 356 P CA -0.563 62.443 63.100 -0.157 0.000 0.760 356 P CB 0.126 31.752 31.700 -0.124 0.000 0.762 357 P HA -0.168 nan 4.420 nan 0.000 0.223 357 P C 1.101 178.378 177.300 -0.039 0.000 1.144 357 P CA 1.443 64.525 63.100 -0.030 0.000 0.783 357 P CB -0.488 31.208 31.700 -0.006 0.000 0.771 358 T N -3.666 110.853 114.554 -0.058 0.000 3.155 358 T HA -0.053 4.297 4.350 0.001 0.000 0.264 358 T C 1.265 175.848 174.700 -0.194 0.000 1.160 358 T CA 0.732 62.761 62.100 -0.118 0.000 1.075 358 T CB -0.570 68.171 68.868 -0.211 0.000 0.921 358 T HN 0.130 nan 8.240 nan 0.000 0.533 359 E N 0.629 120.747 120.200 -0.136 0.000 2.489 359 E HA 0.274 4.624 4.350 0.001 0.000 0.193 359 E C 0.341 176.821 176.600 -0.200 0.000 1.057 359 E CA 0.102 56.418 56.400 -0.139 0.000 0.866 359 E CB 0.200 29.925 29.700 0.040 0.000 0.916 359 E HN 0.623 nan 8.360 nan 0.000 0.500 360 L N -0.176 120.933 121.223 -0.191 0.000 2.323 360 L HA 0.407 4.748 4.340 0.001 0.000 0.265 360 L C -0.288 176.467 176.870 -0.191 0.000 1.012 360 L CA -1.222 53.491 54.840 -0.211 0.000 0.820 360 L CB 0.842 42.851 42.059 -0.083 0.000 1.334 360 L HN -0.167 nan 8.230 nan 0.000 0.427 361 Y N 0.345 120.624 120.300 -0.035 0.000 2.334 361 Y HA 0.258 4.808 4.550 0.001 0.000 0.325 361 Y C -1.526 174.375 175.900 0.002 0.000 1.308 361 Y CA -1.786 56.300 58.100 -0.023 0.000 1.389 361 Y CB 0.081 38.517 38.460 -0.040 0.000 1.328 361 Y HN 0.380 nan 8.280 nan 0.000 0.532 362 P HA -0.122 nan 4.420 nan 0.000 0.231 362 P C 1.000 178.419 177.300 0.199 0.000 1.158 362 P CA 1.737 64.911 63.100 0.124 0.000 0.763 362 P CB -0.066 31.638 31.700 0.006 0.000 0.805 363 T N -4.409 110.276 114.554 0.219 0.000 3.113 363 T HA 0.068 4.418 4.350 0.001 0.000 0.256 363 T C 1.101 176.005 174.700 0.341 0.000 1.131 363 T CA 0.068 62.335 62.100 0.278 0.000 1.074 363 T CB -0.812 68.215 68.868 0.266 0.000 0.944 363 T HN 0.023 nan 8.240 nan 0.000 0.516 364 L N -0.656 120.724 121.223 0.262 0.000 4.950 364 L HA -0.156 4.184 4.340 0.001 0.000 0.413 364 L C 0.348 177.305 176.870 0.145 0.000 1.020 364 L CA 0.611 55.601 54.840 0.251 0.000 1.239 364 L CB -1.802 40.455 42.059 0.329 0.000 2.004 364 L HN 0.538 nan 8.230 nan 0.000 0.658 365 E N 0.625 120.795 120.200 -0.050 0.000 2.313 365 E HA 0.283 4.633 4.350 0.001 0.000 0.272 365 E C 0.156 176.566 176.600 -0.318 0.000 1.038 365 E CA -0.278 55.738 56.400 -0.640 0.000 0.863 365 E CB 1.158 30.506 29.700 -0.585 0.000 1.060 365 E HN 0.019 nan 8.360 nan 0.000 0.402 366 T N 3.724 118.046 114.554 -0.388 0.000 2.901 366 T HA 0.048 4.398 4.350 0.001 0.000 0.301 366 T C 0.938 175.525 174.700 -0.189 0.000 1.012 366 T CA -0.015 61.948 62.100 -0.228 0.000 1.135 366 T CB 0.659 69.476 68.868 -0.084 0.000 0.936 366 T HN 0.467 nan 8.240 nan 0.000 0.539 367 K N 2.327 122.536 120.400 -0.318 0.000 2.211 367 K HA -0.024 4.296 4.320 0.001 0.000 0.203 367 K C 2.069 178.581 176.600 -0.147 0.000 1.050 367 K CA 1.089 57.160 56.287 -0.360 0.000 0.945 367 K CB 0.154 32.338 32.500 -0.527 0.000 0.732 367 K HN 0.446 nan 8.250 nan 0.000 0.451 368 K N 0.085 120.391 120.400 -0.156 0.000 2.186 368 K HA 0.097 4.417 4.320 0.001 0.000 0.202 368 K C 0.341 176.919 176.600 -0.037 0.000 1.052 368 K CA 0.661 56.863 56.287 -0.143 0.000 0.965 368 K CB 0.386 32.662 32.500 -0.373 0.000 0.746 368 K HN 0.043 nan 8.250 nan 0.000 0.457 369 I N 1.186 121.761 120.570 0.007 0.000 2.478 369 I HA 0.205 4.375 4.170 0.001 0.000 0.287 369 I C -0.502 175.599 176.117 -0.027 0.000 1.042 369 I CA -0.893 60.407 61.300 0.001 0.000 1.067 369 I CB 2.071 40.074 38.000 0.005 0.000 1.233 369 I HN -0.051 nan 8.210 nan 0.000 0.431 370 R N 4.393 124.888 120.500 -0.009 0.000 2.442 370 R HA 0.401 4.741 4.340 0.001 0.000 0.291 370 R C 1.039 177.337 176.300 -0.005 0.000 1.069 370 R CA 1.289 57.382 56.100 -0.013 0.000 1.022 370 R CB 0.524 30.840 30.300 0.026 0.000 0.976 370 R HN 0.969 nan 8.270 nan 0.000 0.443 371 G N 3.004 111.794 108.800 -0.016 0.000 2.175 371 G HA2 -0.258 3.702 3.960 0.001 0.000 0.244 371 G HA3 -0.258 3.702 3.960 0.001 0.000 0.244 371 G C -0.591 174.413 174.900 0.173 0.000 0.982 371 G CA 0.113 45.308 45.100 0.158 0.000 0.641 371 G HN 0.512 nan 8.290 nan 0.000 0.527 372 L N 1.245 122.410 121.223 -0.097 0.000 2.296 372 L HA 0.888 5.228 4.340 0.001 0.000 0.286 372 L C -0.768 175.934 176.870 -0.279 0.000 1.023 372 L CA -1.534 53.293 54.840 -0.021 0.000 0.812 372 L CB 0.523 42.584 42.059 0.003 0.000 1.223 372 L HN 0.018 nan 8.230 nan 0.000 0.421 373 F N 3.066 123.064 119.950 0.079 0.000 2.593 373 F HA 0.591 5.118 4.527 0.001 0.000 0.320 373 F C 0.006 175.986 175.800 0.301 0.000 1.060 373 F CA -0.619 57.435 58.000 0.089 0.000 0.940 373 F CB 1.693 40.749 39.000 0.092 0.000 1.268 373 F HN 0.474 nan 8.300 nan 0.000 0.475 374 H N 0.039 119.300 119.070 0.318 0.000 2.747 374 H HA 0.890 5.446 4.556 0.001 0.000 0.371 374 H C -1.113 174.369 175.328 0.256 0.000 1.161 374 H CA -1.438 54.796 56.048 0.310 0.000 1.167 374 H CB 2.263 32.179 29.762 0.256 0.000 1.732 374 H HN 0.793 nan 8.280 nan 0.000 0.544 375 A N 1.320 124.367 122.820 0.378 0.000 2.594 375 A HA 0.651 4.972 4.320 0.001 0.000 0.296 375 A C 0.014 177.742 177.584 0.241 0.000 1.061 375 A CA 0.038 52.230 52.037 0.259 0.000 0.689 375 A CB 1.340 20.464 19.000 0.206 0.000 1.280 375 A HN 1.173 nan 8.150 nan 0.000 0.406 376 G N 1.243 110.167 108.800 0.207 0.000 2.568 376 G HA2 -0.148 3.812 3.960 0.001 0.000 0.222 376 G HA3 -0.148 3.812 3.960 0.001 0.000 0.222 376 G C 0.505 175.541 174.900 0.226 0.000 1.321 376 G CA 0.639 45.864 45.100 0.207 0.000 0.893 376 G HN 1.260 nan 8.290 nan 0.000 0.569 377 N N -0.648 118.184 118.700 0.220 0.000 2.192 377 N HA -0.066 4.674 4.740 0.001 0.000 0.188 377 N C 1.917 177.644 175.510 0.360 0.000 1.013 377 N CA 2.146 55.349 53.050 0.254 0.000 0.863 377 N CB -0.237 38.280 38.487 0.050 0.000 0.990 377 N HN 0.543 nan 8.380 nan 0.000 0.430 378 F N 0.690 120.721 119.950 0.134 0.000 2.408 378 F HA 0.005 4.532 4.527 0.001 0.000 0.300 378 F C 1.482 177.304 175.800 0.037 0.000 1.090 378 F CA 0.825 58.869 58.000 0.074 0.000 1.427 378 F CB -0.162 38.812 39.000 -0.044 0.000 1.070 378 F HN -0.017 nan 8.300 nan 0.000 0.549 379 N N -0.067 118.676 118.700 0.073 0.000 2.270 379 N HA 0.184 4.924 4.740 0.001 0.000 0.198 379 N C 1.121 176.660 175.510 0.048 0.000 1.117 379 N CA 0.877 53.922 53.050 -0.008 0.000 0.845 379 N CB 0.263 38.822 38.487 0.119 0.000 0.980 379 N HN 0.344 nan 8.380 nan 0.000 0.486 380 G N -0.861 108.032 108.800 0.156 0.000 2.176 380 G HA2 -0.271 3.689 3.960 0.001 0.000 0.232 380 G HA3 -0.271 3.689 3.960 0.001 0.000 0.232 380 G C 0.324 175.462 174.900 0.397 0.000 0.986 380 G CA 0.540 45.844 45.100 0.340 0.000 0.643 380 G HN 0.546 nan 8.290 nan 0.000 0.522 381 T N -2.432 112.302 114.554 0.302 0.000 2.937 381 T HA 0.772 5.122 4.350 0.001 0.000 0.283 381 T C -0.227 174.618 174.700 0.240 0.000 1.012 381 T CA 0.214 62.483 62.100 0.280 0.000 0.997 381 T CB 2.741 71.763 68.868 0.256 0.000 1.136 381 T HN 0.884 nan 8.240 nan 0.000 0.551 382 T N -0.930 113.720 114.554 0.159 0.000 2.952 382 T HA 0.668 5.018 4.350 0.001 0.000 0.305 382 T C -0.504 174.207 174.700 0.018 0.000 1.064 382 T CA 0.577 62.737 62.100 0.101 0.000 1.008 382 T CB 0.645 69.568 68.868 0.091 0.000 1.078 382 T HN 1.855 nan 8.240 nan 0.000 0.459 383 G N 2.815 111.589 108.800 -0.043 0.000 2.528 383 G HA2 0.041 4.001 3.960 0.001 0.000 0.681 383 G HA3 0.041 4.001 3.960 0.001 0.000 0.681 383 G C -0.322 174.512 174.900 -0.110 0.000 1.340 383 G CA -0.321 44.664 45.100 -0.191 0.000 0.855 383 G HN 0.622 nan 8.290 nan 0.000 0.649 384 Y N 0.724 120.895 120.300 -0.215 0.000 2.114 384 Y HA -0.006 4.544 4.550 0.001 0.000 0.284 384 Y C 2.770 178.598 175.900 -0.121 0.000 1.143 384 Y CA 2.087 59.962 58.100 -0.376 0.000 1.135 384 Y CB -0.682 37.371 38.460 -0.679 0.000 0.980 384 Y HN 0.715 nan 8.280 nan 0.000 0.499 385 E N 0.349 120.587 120.200 0.064 0.000 2.077 385 E HA -0.168 4.182 4.350 0.001 0.000 0.193 385 E C 2.033 178.691 176.600 0.097 0.000 0.989 385 E CA 1.491 57.934 56.400 0.072 0.000 0.800 385 E CB -0.343 29.373 29.700 0.026 0.000 0.746 385 E HN 0.540 nan 8.360 nan 0.000 0.452 386 E N 0.993 121.248 120.200 0.091 0.000 2.110 386 E HA -0.179 4.171 4.350 0.001 0.000 0.193 386 E C 2.069 178.758 176.600 0.148 0.000 0.988 386 E CA 1.271 57.753 56.400 0.137 0.000 0.804 386 E CB -0.463 29.338 29.700 0.169 0.000 0.745 386 E HN 0.280 nan 8.360 nan 0.000 0.458 387 A N 2.110 125.025 122.820 0.157 0.000 1.855 387 A HA 0.092 4.412 4.320 0.001 0.000 0.215 387 A C 2.538 180.230 177.584 0.179 0.000 1.191 387 A CA 2.014 54.162 52.037 0.184 0.000 0.613 387 A CB -0.748 18.390 19.000 0.229 0.000 0.829 387 A HN 0.324 nan 8.150 nan 0.000 0.442 388 A N -0.498 122.436 122.820 0.190 0.000 1.972 388 A HA 0.132 4.452 4.320 0.001 0.000 0.219 388 A C 2.328 179.994 177.584 0.137 0.000 1.169 388 A CA 1.859 53.999 52.037 0.171 0.000 0.635 388 A CB -1.253 17.860 19.000 0.187 0.000 0.810 388 A HN 0.710 nan 8.150 nan 0.000 0.446 389 G N -0.803 108.077 108.800 0.133 0.000 2.402 389 G HA2 -0.195 3.766 3.960 0.001 0.000 0.216 389 G HA3 -0.195 3.766 3.960 0.001 0.000 0.216 389 G C 1.598 176.568 174.900 0.116 0.000 1.162 389 G CA 0.980 46.153 45.100 0.122 0.000 0.777 389 G HN 0.641 nan 8.290 nan 0.000 0.539 390 Q N -0.022 119.852 119.800 0.125 0.000 2.137 390 Q HA 0.082 4.422 4.340 0.001 0.000 0.198 390 Q C 2.829 178.902 176.000 0.120 0.000 0.960 390 Q CA 0.791 56.669 55.803 0.125 0.000 0.847 390 Q CB -0.290 28.531 28.738 0.137 0.000 0.915 390 Q HN 0.422 nan 8.270 nan 0.000 0.448 391 G N 1.589 110.460 108.800 0.118 0.000 2.446 391 G HA2 -0.292 3.668 3.960 0.001 0.000 0.217 391 G HA3 -0.292 3.668 3.960 0.001 0.000 0.217 391 G C 1.422 176.358 174.900 0.061 0.000 1.168 391 G CA 0.713 45.869 45.100 0.094 0.000 0.771 391 G HN 0.348 nan 8.290 nan 0.000 0.551 392 I N 0.284 120.893 120.570 0.066 0.000 2.286 392 I HA -0.158 4.012 4.170 0.001 0.000 0.248 392 I C 2.689 178.822 176.117 0.028 0.000 1.115 392 I CA 0.815 62.142 61.300 0.045 0.000 1.392 392 I CB 0.035 38.071 38.000 0.061 0.000 1.065 392 I HN 0.088 nan 8.210 nan 0.000 0.418 393 V N 1.204 121.149 119.914 0.052 0.000 2.307 393 V HA -0.264 3.856 4.120 0.001 0.000 0.245 393 V C 2.707 178.811 176.094 0.015 0.000 1.045 393 V CA 1.894 64.226 62.300 0.054 0.000 1.024 393 V CB -1.093 30.789 31.823 0.099 0.000 0.651 393 V HN 0.571 nan 8.190 nan 0.000 0.449 394 A N 0.386 123.223 122.820 0.028 0.000 1.933 394 A HA -0.074 4.246 4.320 0.001 0.000 0.218 394 A C 2.388 179.813 177.584 -0.264 0.000 1.175 394 A CA 1.915 53.919 52.037 -0.055 0.000 0.628 394 A CB -1.155 17.901 19.000 0.095 0.000 0.814 394 A HN 0.531 nan 8.150 nan 0.000 0.444 395 G N 0.073 108.791 108.800 -0.137 0.000 2.421 395 G HA2 -0.176 3.784 3.960 0.001 0.000 0.216 395 G HA3 -0.176 3.784 3.960 0.001 0.000 0.216 395 G C 1.536 176.320 174.900 -0.193 0.000 1.171 395 G CA 1.080 46.086 45.100 -0.156 0.000 0.775 395 G HN 0.457 nan 8.290 nan 0.000 0.543 396 I N 1.153 121.645 120.570 -0.129 0.000 2.127 396 I HA -0.222 3.948 4.170 0.001 0.000 0.241 396 I C 2.493 178.509 176.117 -0.169 0.000 1.075 396 I CA 1.160 62.397 61.300 -0.105 0.000 1.334 396 I CB -0.214 37.762 38.000 -0.040 0.000 1.040 396 I HN 0.077 nan 8.210 nan 0.000 0.405 397 N N 0.866 119.432 118.700 -0.223 0.000 2.244 397 N HA -0.096 4.644 4.740 0.001 0.000 0.183 397 N C 1.804 177.009 175.510 -0.509 0.000 1.016 397 N CA 1.399 54.298 53.050 -0.253 0.000 0.866 397 N CB -0.366 38.074 38.487 -0.078 0.000 0.980 397 N HN 0.379 nan 8.380 nan 0.000 0.430 398 A N 0.998 123.328 122.820 -0.817 0.000 1.873 398 A HA 0.039 4.360 4.320 0.001 0.000 0.215 398 A C 2.368 179.712 177.584 -0.400 0.000 1.186 398 A CA 1.879 53.500 52.037 -0.692 0.000 0.616 398 A CB -0.905 17.755 19.000 -0.566 0.000 0.823 398 A HN 0.290 nan 8.150 nan 0.000 0.442 399 A N -0.253 122.321 122.820 -0.410 0.000 1.877 399 A HA -0.067 4.254 4.320 0.001 0.000 0.216 399 A C 2.197 179.277 177.584 -0.841 0.000 1.186 399 A CA 1.533 53.197 52.037 -0.623 0.000 0.620 399 A CB -0.683 18.071 19.000 -0.409 0.000 0.822 399 A HN 0.472 nan 8.150 nan 0.000 0.443 400 L N -1.203 119.789 121.223 -0.385 0.000 2.012 400 L HA -0.225 4.116 4.340 0.001 0.000 0.210 400 L C 2.948 179.743 176.870 -0.124 0.000 1.073 400 L CA 1.354 56.099 54.840 -0.158 0.000 0.748 400 L CB -0.498 41.547 42.059 -0.023 0.000 0.891 400 L HN 0.307 nan 8.230 nan 0.000 0.431 401 R N 0.056 120.495 120.500 -0.101 0.000 2.083 401 R HA -0.154 4.186 4.340 0.001 0.000 0.237 401 R C 2.266 178.540 176.300 -0.043 0.000 1.137 401 R CA 1.653 57.758 56.100 0.008 0.000 0.951 401 R CB -0.892 29.485 30.300 0.128 0.000 0.851 401 R HN 0.392 nan 8.270 nan 0.000 0.434 402 A N 0.129 122.832 122.820 -0.196 0.000 2.024 402 A HA -0.141 4.179 4.320 0.001 0.000 0.220 402 A C 1.480 179.066 177.584 0.004 0.000 1.164 402 A CA 1.286 53.222 52.037 -0.168 0.000 0.643 402 A CB -0.465 18.339 19.000 -0.326 0.000 0.806 402 A HN 0.234 nan 8.150 nan 0.000 0.451 403 F N -1.124 118.849 119.950 0.040 0.000 2.727 403 F HA 0.386 4.914 4.527 0.000 0.000 0.302 403 F C 1.780 177.600 175.800 0.033 0.000 1.097 403 F CA -0.407 57.612 58.000 0.032 0.000 1.330 403 F CB -0.709 38.304 39.000 0.023 0.000 1.084 403 F HN 0.321 nan 8.300 nan 0.000 0.578 404 G N 1.004 109.910 108.800 0.176 0.000 2.160 404 G HA2 -0.287 3.673 3.960 0.001 0.000 0.244 404 G HA3 -0.287 3.673 3.960 0.001 0.000 0.244 404 G C 0.320 175.288 174.900 0.112 0.000 1.022 404 G CA -0.053 45.121 45.100 0.123 0.000 0.741 404 G HN 0.371 nan 8.290 nan 0.000 0.508 405 K N -0.404 120.069 120.400 0.123 0.000 2.211 405 K HA 0.572 4.892 4.320 0.001 0.000 0.237 405 K C -0.204 176.445 176.600 0.082 0.000 1.002 405 K CA -1.010 55.339 56.287 0.103 0.000 0.885 405 K CB 1.065 33.642 32.500 0.130 0.000 1.136 405 K HN 0.028 nan 8.250 nan 0.000 0.448 406 E N 2.086 122.329 120.200 0.071 0.000 2.259 406 E HA 0.217 4.567 4.350 0.001 0.000 0.281 406 E C -2.303 174.345 176.600 0.080 0.000 1.027 406 E CA -2.133 54.307 56.400 0.067 0.000 0.838 406 E CB 0.492 30.223 29.700 0.052 0.000 1.066 406 E HN 0.275 nan 8.360 nan 0.000 0.401 407 P HA 0.092 nan 4.420 nan 0.000 0.270 407 P C -0.011 177.369 177.300 0.134 0.000 1.223 407 P CA 0.075 63.252 63.100 0.129 0.000 0.785 407 P CB 0.469 32.290 31.700 0.202 0.000 0.923 408 I N -0.336 120.319 120.570 0.142 0.000 3.449 408 I HA 0.791 4.961 4.170 0.001 0.000 0.294 408 I C -0.954 175.319 176.117 0.260 0.000 1.163 408 I CA -1.250 60.148 61.300 0.163 0.000 1.010 408 I CB 1.902 39.945 38.000 0.072 0.000 1.307 408 I HN 0.440 nan 8.210 nan 0.000 0.518 409 Y N -0.152 120.179 120.300 0.052 0.000 2.624 409 Y HA 0.684 5.234 4.550 0.001 0.000 0.334 409 Y C -2.279 173.649 175.900 0.045 0.000 1.155 409 Y CA -1.401 56.734 58.100 0.059 0.000 1.046 409 Y CB 1.137 39.635 38.460 0.064 0.000 1.316 409 Y HN 0.489 nan 8.280 nan 0.000 0.457 410 L N 4.305 125.487 121.223 -0.069 0.000 2.272 410 L HA 0.576 4.917 4.340 0.001 0.000 0.289 410 L C -0.043 176.731 176.870 -0.160 0.000 1.032 410 L CA -0.868 53.861 54.840 -0.184 0.000 0.810 410 L CB 1.367 43.410 42.059 -0.026 0.000 1.205 410 L HN 0.680 nan 8.230 nan 0.000 0.422 411 R N 2.191 122.505 120.500 -0.310 0.000 2.570 411 R HA 0.013 4.353 4.340 0.001 0.000 0.277 411 R C 1.307 177.591 176.300 -0.028 0.000 1.039 411 R CA -0.154 55.887 56.100 -0.099 0.000 1.065 411 R CB 0.716 30.935 30.300 -0.136 0.000 0.964 411 R HN 0.625 nan 8.270 nan 0.000 0.428 412 R N 1.433 121.950 120.500 0.028 0.000 2.237 412 R HA -0.113 4.227 4.340 0.001 0.000 0.219 412 R C 0.326 176.586 176.300 -0.067 0.000 1.080 412 R CA 1.691 57.787 56.100 -0.008 0.000 0.995 412 R CB -0.148 30.162 30.300 0.017 0.000 0.875 412 R HN 0.604 nan 8.270 nan 0.000 0.462 413 D N 0.260 120.569 120.400 -0.151 0.000 2.319 413 D HA -0.041 4.599 4.640 0.001 0.000 0.230 413 D C 0.595 176.732 176.300 -0.272 0.000 1.094 413 D CA 0.215 53.948 54.000 -0.445 0.000 0.856 413 D CB 0.348 40.648 40.800 -0.834 0.000 0.915 413 D HN 0.552 nan 8.370 nan 0.000 0.517 414 E N -0.906 119.250 120.200 -0.073 0.000 2.568 414 E HA 0.113 4.464 4.350 0.001 0.000 0.220 414 E C -0.206 176.394 176.600 0.000 0.000 0.869 414 E CA 0.025 56.459 56.400 0.057 0.000 1.268 414 E CB 0.894 30.616 29.700 0.036 0.000 1.252 414 E HN 0.233 nan 8.360 nan 0.000 0.606 415 S N -1.349 114.345 115.700 -0.010 0.000 2.570 415 S HA 0.241 4.711 4.470 0.001 0.000 0.270 415 S C -0.389 174.240 174.600 0.050 0.000 1.149 415 S CA -0.742 57.471 58.200 0.021 0.000 0.837 415 S CB 0.848 64.065 63.200 0.028 0.000 1.124 415 S HN 0.088 nan 8.310 nan 0.000 0.465 416 Y N 1.443 121.753 120.300 0.016 0.000 2.457 416 Y HA 0.268 4.818 4.550 0.001 0.000 0.292 416 Y C 1.792 177.727 175.900 0.059 0.000 1.125 416 Y CA 0.957 59.083 58.100 0.044 0.000 1.254 416 Y CB -0.229 38.253 38.460 0.036 0.000 1.012 416 Y HN 0.724 nan 8.280 nan 0.000 0.555 417 I N -1.214 119.486 120.570 0.216 0.000 2.252 417 I HA -0.258 3.912 4.170 0.001 0.000 0.245 417 I C 2.577 178.760 176.117 0.111 0.000 1.102 417 I CA 1.423 62.820 61.300 0.161 0.000 1.385 417 I CB -0.854 37.217 38.000 0.119 0.000 1.064 417 I HN 0.265 nan 8.210 nan 0.000 0.414 418 G N 0.467 109.313 108.800 0.076 0.000 2.422 418 G HA2 -0.183 3.778 3.960 0.001 0.000 0.218 418 G HA3 -0.183 3.778 3.960 0.001 0.000 0.218 418 G C 1.721 176.645 174.900 0.039 0.000 1.146 418 G CA 0.767 45.904 45.100 0.061 0.000 0.769 418 G HN 0.227 nan 8.290 nan 0.000 0.547 419 V N 1.126 121.032 119.914 -0.014 0.000 2.287 419 V HA -0.274 3.846 4.120 0.001 0.000 0.248 419 V C 2.696 178.784 176.094 -0.010 0.000 1.053 419 V CA 2.372 64.631 62.300 -0.068 0.000 1.027 419 V CB -0.480 31.159 31.823 -0.307 0.000 0.646 419 V HN 0.550 nan 8.190 nan 0.000 0.447 420 M N -0.295 119.335 119.600 0.049 0.000 2.065 420 M HA -0.219 4.261 4.480 0.001 0.000 0.259 420 M C 2.134 178.324 176.300 -0.182 0.000 1.069 420 M CA 2.279 57.544 55.300 -0.057 0.000 1.110 420 M CB -0.340 32.309 32.600 0.081 0.000 1.328 420 M HN 0.243 nan 8.290 nan 0.000 0.405 421 I N 0.385 120.930 120.570 -0.041 0.000 2.286 421 I HA -0.296 3.875 4.170 0.001 0.000 0.248 421 I C 2.010 178.125 176.117 -0.004 0.000 1.115 421 I CA 1.787 63.081 61.300 -0.009 0.000 1.392 421 I CB -0.675 37.371 38.000 0.076 0.000 1.065 421 I HN 0.473 nan 8.210 nan 0.000 0.418 422 D N 0.981 121.389 120.400 0.015 0.000 2.084 422 D HA -0.222 4.419 4.640 0.001 0.000 0.194 422 D C 1.758 178.052 176.300 -0.010 0.000 0.990 422 D CA 1.511 55.526 54.000 0.025 0.000 0.826 422 D CB 0.066 40.891 40.800 0.041 0.000 0.971 422 D HN 0.168 nan 8.370 nan 0.000 0.453 423 D N -0.224 120.148 120.400 -0.047 0.000 2.117 423 D HA -0.123 4.517 4.640 0.001 0.000 0.197 423 D C 2.266 178.522 176.300 -0.074 0.000 0.987 423 D CA 0.574 54.547 54.000 -0.044 0.000 0.829 423 D CB -0.302 40.493 40.800 -0.008 0.000 0.961 423 D HN 0.319 nan 8.370 nan 0.000 0.460 424 L N 0.514 121.629 121.223 -0.179 0.000 2.017 424 L HA -0.152 4.189 4.340 0.001 0.000 0.208 424 L C 2.518 179.386 176.870 -0.002 0.000 1.073 424 L CA 1.725 56.490 54.840 -0.126 0.000 0.745 424 L CB -0.747 41.211 42.059 -0.168 0.000 0.894 424 L HN 0.166 nan 8.230 nan 0.000 0.432 425 T N -6.137 108.429 114.554 0.020 0.000 3.081 425 T HA -0.006 4.344 4.350 0.001 0.000 0.255 425 T C 1.451 176.258 174.700 0.178 0.000 1.113 425 T CA 0.988 63.135 62.100 0.077 0.000 1.082 425 T CB 0.060 68.968 68.868 0.066 0.000 0.939 425 T HN 0.165 nan 8.240 nan 0.000 0.506 426 T N 0.360 114.986 114.554 0.121 0.000 2.999 426 T HA 0.299 4.649 4.350 0.001 0.000 0.247 426 T C 1.582 176.285 174.700 0.004 0.000 1.012 426 T CA 0.063 62.199 62.100 0.060 0.000 1.048 426 T CB 0.186 69.025 68.868 -0.049 0.000 1.020 426 T HN 0.162 nan 8.240 nan 0.000 0.478 427 K N 0.687 121.124 120.400 0.062 0.000 2.335 427 K HA 0.481 4.801 4.320 0.001 0.000 0.195 427 K C 1.071 177.758 176.600 0.145 0.000 1.058 427 K CA 0.550 56.877 56.287 0.066 0.000 0.988 427 K CB 0.110 32.640 32.500 0.050 0.000 0.880 427 K HN 0.393 nan 8.250 nan 0.000 0.513 428 G N 0.254 109.142 108.800 0.147 0.000 2.796 428 G HA2 -0.180 3.780 3.960 0.001 0.000 0.226 428 G HA3 -0.180 3.780 3.960 0.001 0.000 0.226 428 G C -0.652 174.325 174.900 0.129 0.000 1.381 428 G CA -0.393 44.784 45.100 0.128 0.000 0.867 428 G HN 0.582 nan 8.290 nan 0.000 0.552 429 V N -4.075 115.927 119.914 0.148 0.000 2.925 429 V HA 0.907 5.027 4.120 0.001 0.000 0.311 429 V C 0.747 176.998 176.094 0.262 0.000 1.104 429 V CA 0.725 63.155 62.300 0.216 0.000 0.954 429 V CB 1.616 33.627 31.823 0.313 0.000 1.022 429 V HN 2.172 nan 8.190 nan 0.000 0.427 430 T N -1.007 113.678 114.554 0.218 0.000 3.010 430 T HA 0.424 4.774 4.350 0.001 0.000 0.257 430 T C 0.209 175.016 174.700 0.177 0.000 1.020 430 T CA 0.690 62.914 62.100 0.207 0.000 0.938 430 T CB -0.262 68.665 68.868 0.098 0.000 1.049 430 T HN 1.168 nan 8.240 nan 0.000 0.522 431 E N 0.161 120.329 120.200 -0.054 0.000 2.437 431 E HA 0.514 4.864 4.350 0.001 0.000 0.280 431 E C -3.425 172.676 176.600 -0.832 0.000 1.044 431 E CA -2.800 53.199 56.400 -0.669 0.000 0.826 431 E CB 0.472 29.983 29.700 -0.316 0.000 1.358 431 E HN -0.142 nan 8.360 nan 0.000 0.459 432 P HA -0.052 nan 4.420 nan 0.000 0.263 432 P C -1.343 175.884 177.300 -0.123 0.000 1.195 432 P CA 0.227 63.086 63.100 -0.402 0.000 0.762 432 P CB -0.139 31.415 31.700 -0.243 0.000 0.799 433 Y N 5.058 125.314 120.300 -0.074 0.000 2.359 433 Y HA 0.250 4.800 4.550 0.001 0.000 0.330 433 Y C 0.412 176.230 175.900 -0.136 0.000 1.143 433 Y CA 0.151 58.197 58.100 -0.090 0.000 1.318 433 Y CB 0.638 39.092 38.460 -0.010 0.000 1.234 433 Y HN 0.303 nan 8.280 nan 0.000 0.522 434 R N 6.085 126.036 120.500 -0.916 0.000 2.621 434 R HA 0.317 4.657 4.340 0.001 0.000 0.292 434 R C 0.517 176.208 176.300 -1.015 0.000 0.969 434 R CA -0.823 54.812 56.100 -0.774 0.000 0.887 434 R CB 1.518 31.287 30.300 -0.885 0.000 1.180 434 R HN 0.836 nan 8.270 nan 0.000 0.450 435 L N 1.993 122.964 121.223 -0.419 0.000 2.187 435 L HA -0.189 4.151 4.340 0.001 0.000 0.213 435 L C 1.883 178.661 176.870 -0.153 0.000 1.100 435 L CA 1.651 56.402 54.840 -0.149 0.000 0.765 435 L CB -0.301 41.743 42.059 -0.025 0.000 0.904 435 L HN 0.676 nan 8.230 nan 0.000 0.437 436 F N -1.547 118.272 119.950 -0.219 0.000 2.661 436 F HA -0.020 4.507 4.527 0.000 0.000 0.298 436 F C 2.337 178.050 175.800 -0.146 0.000 1.137 436 F CA 0.760 58.657 58.000 -0.172 0.000 1.454 436 F CB -1.153 37.720 39.000 -0.211 0.000 1.103 436 F HN 0.002 nan 8.300 nan 0.000 0.577 437 T N -1.749 112.445 114.554 -0.600 0.000 3.081 437 T HA 0.117 4.467 4.350 0.001 0.000 0.255 437 T C 0.946 175.561 174.700 -0.142 0.000 1.113 437 T CA 0.225 62.094 62.100 -0.384 0.000 1.082 437 T CB -0.860 67.640 68.868 -0.613 0.000 0.939 437 T HN 0.359 nan 8.240 nan 0.000 0.506 438 S N 1.052 116.725 115.700 -0.045 0.000 2.603 438 S HA 0.507 4.978 4.470 0.001 0.000 0.268 438 S C -0.264 174.397 174.600 0.102 0.000 1.317 438 S CA -0.997 57.266 58.200 0.105 0.000 1.012 438 S CB 0.777 64.128 63.200 0.253 0.000 0.926 438 S HN 0.488 nan 8.310 nan 0.000 0.539 439 R N 0.963 121.491 120.500 0.047 0.000 2.435 439 R HA 0.402 4.743 4.340 0.001 0.000 0.308 439 R C -0.918 175.373 176.300 -0.015 0.000 0.975 439 R CA -0.230 55.890 56.100 0.034 0.000 0.867 439 R CB 1.815 32.137 30.300 0.036 0.000 1.171 439 R HN 0.695 nan 8.270 nan 0.000 0.470 440 S N 1.637 117.312 115.700 -0.041 0.000 2.465 440 S HA 0.076 4.546 4.470 0.001 0.000 0.279 440 S C 0.917 175.544 174.600 0.045 0.000 1.201 440 S CA -0.558 57.616 58.200 -0.043 0.000 1.053 440 S CB 0.770 63.897 63.200 -0.121 0.000 0.953 440 S HN 0.473 nan 8.310 nan 0.000 0.488 441 E N 3.783 124.033 120.200 0.082 0.000 2.478 441 E HA -0.018 4.332 4.350 0.001 0.000 0.198 441 E C -0.435 176.087 176.600 -0.129 0.000 1.046 441 E CA 0.776 57.163 56.400 -0.021 0.000 0.870 441 E CB -0.039 29.627 29.700 -0.057 0.000 0.818 441 E HN 0.795 nan 8.360 nan 0.000 0.527 442 Y N 0.309 120.630 120.300 0.035 0.000 2.699 442 Y HA 0.184 4.735 4.550 0.001 0.000 0.282 442 Y C 1.494 177.448 175.900 0.089 0.000 1.058 442 Y CA -0.545 57.605 58.100 0.084 0.000 1.194 442 Y CB 0.072 38.613 38.460 0.134 0.000 1.193 442 Y HN -0.005 nan 8.280 nan 0.000 0.562 443 R N -0.470 120.120 120.500 0.150 0.000 2.249 443 R HA -0.133 4.207 4.340 0.001 0.000 0.230 443 R C 0.784 177.124 176.300 0.066 0.000 1.121 443 R CA 1.600 57.764 56.100 0.108 0.000 0.997 443 R CB -0.498 29.847 30.300 0.075 0.000 0.867 443 R HN 0.426 nan 8.270 nan 0.000 0.465 444 L N -0.752 120.521 121.223 0.084 0.000 2.375 444 L HA 0.029 4.369 4.340 0.001 0.000 0.215 444 L C 2.032 178.961 176.870 0.099 0.000 1.108 444 L CA 0.413 55.267 54.840 0.024 0.000 0.830 444 L CB -0.214 41.881 42.059 0.060 0.000 0.959 444 L HN 0.134 nan 8.230 nan 0.000 0.457 445 Y N 0.763 121.107 120.300 0.073 0.000 2.389 445 Y HA 0.184 4.735 4.550 0.001 0.000 0.292 445 Y C 1.264 177.195 175.900 0.053 0.000 1.117 445 Y CA 0.066 58.217 58.100 0.083 0.000 1.195 445 Y CB 0.273 38.825 38.460 0.153 0.000 1.076 445 Y HN -0.091 nan 8.280 nan 0.000 0.548 446 I N 4.043 124.581 120.570 -0.054 0.000 2.227 446 I HA 0.193 4.364 4.170 0.001 0.000 0.297 446 I C -0.233 175.846 176.117 -0.063 0.000 1.173 446 I CA 0.142 61.363 61.300 -0.131 0.000 1.356 446 I CB -0.214 37.802 38.000 0.028 0.000 1.485 446 I HN 0.080 nan 8.210 nan 0.000 0.604 447 R N 3.119 123.534 120.500 -0.142 0.000 2.797 447 R HA 0.333 4.674 4.340 0.001 0.000 0.251 447 R C 0.798 177.013 176.300 -0.141 0.000 1.107 447 R CA -0.772 55.252 56.100 -0.126 0.000 1.084 447 R CB 0.712 30.921 30.300 -0.152 0.000 1.205 447 R HN 0.352 nan 8.270 nan 0.000 0.515 448 Q N 0.317 120.017 119.800 -0.167 0.000 2.245 448 Q HA -0.119 4.221 4.340 0.001 0.000 0.201 448 Q C 0.713 176.521 176.000 -0.320 0.000 0.955 448 Q CA 2.035 57.688 55.803 -0.249 0.000 0.870 448 Q CB -0.310 28.264 28.738 -0.273 0.000 0.945 448 Q HN 0.781 nan 8.270 nan 0.000 0.461 449 D N 0.762 121.056 120.400 -0.176 0.000 2.323 449 D HA -0.147 4.494 4.640 0.001 0.000 0.209 449 D C 0.758 177.145 176.300 0.144 0.000 0.973 449 D CA 0.931 54.914 54.000 -0.029 0.000 0.874 449 D CB -0.278 40.569 40.800 0.078 0.000 0.930 449 D HN 0.670 nan 8.370 nan 0.000 0.521 450 N N -0.791 117.919 118.700 0.017 0.000 2.282 450 N HA 0.320 5.060 4.740 0.001 0.000 0.240 450 N C 1.319 176.796 175.510 -0.055 0.000 1.182 450 N CA -0.134 52.942 53.050 0.043 0.000 0.874 450 N CB 0.760 39.245 38.487 -0.004 0.000 1.126 450 N HN 0.123 nan 8.380 nan 0.000 0.516 451 A N 1.209 123.980 122.820 -0.080 0.000 1.908 451 A HA -0.153 4.167 4.320 0.001 0.000 0.218 451 A C 2.118 179.663 177.584 -0.065 0.000 1.181 451 A CA 0.972 52.961 52.037 -0.081 0.000 0.627 451 A CB -0.498 18.456 19.000 -0.076 0.000 0.818 451 A HN 0.405 nan 8.150 nan 0.000 0.445 452 I N -0.101 120.399 120.570 -0.116 0.000 2.226 452 I HA -0.211 3.960 4.170 0.001 0.000 0.245 452 I C 2.092 178.126 176.117 -0.139 0.000 1.100 452 I CA 1.378 62.523 61.300 -0.259 0.000 1.374 452 I CB -0.202 37.265 38.000 -0.889 0.000 1.057 452 I HN 0.340 nan 8.210 nan 0.000 0.413 453 L N -0.435 120.741 121.223 -0.078 0.000 2.217 453 L HA -0.077 4.263 4.340 0.001 0.000 0.211 453 L C 2.501 179.398 176.870 0.045 0.000 1.107 453 L CA 0.843 55.693 54.840 0.018 0.000 0.783 453 L CB -0.569 41.535 42.059 0.075 0.000 0.919 453 L HN 0.150 nan 8.230 nan 0.000 0.442 454 R N -0.275 120.221 120.500 -0.006 0.000 2.173 454 R HA 0.105 4.445 4.340 0.001 0.000 0.208 454 R C 1.577 177.893 176.300 0.026 0.000 1.035 454 R CA 0.741 56.842 56.100 0.000 0.000 1.004 454 R CB 0.200 30.428 30.300 -0.120 0.000 0.917 454 R HN 0.312 nan 8.270 nan 0.000 0.462 455 L N -1.023 120.215 121.223 0.026 0.000 2.920 455 L HA 0.333 4.673 4.340 0.001 0.000 0.257 455 L C 1.894 178.803 176.870 0.064 0.000 1.150 455 L CA -0.105 54.758 54.840 0.038 0.000 0.959 455 L CB 0.456 42.535 42.059 0.035 0.000 1.321 455 L HN 0.051 nan 8.230 nan 0.000 0.555 456 A N 0.835 123.722 122.820 0.111 0.000 1.933 456 A HA -0.231 4.089 4.320 0.001 0.000 0.218 456 A C 2.308 179.920 177.584 0.046 0.000 1.175 456 A CA 1.872 54.021 52.037 0.186 0.000 0.628 456 A CB -0.247 18.954 19.000 0.335 0.000 0.814 456 A HN 0.317 nan 8.150 nan 0.000 0.444 457 K N -0.743 119.683 120.400 0.042 0.000 2.057 457 K HA -0.153 4.167 4.320 0.001 0.000 0.207 457 K C 1.911 178.380 176.600 -0.219 0.000 1.049 457 K CA 1.604 57.760 56.287 -0.218 0.000 0.931 457 K CB -0.285 32.217 32.500 0.003 0.000 0.714 457 K HN 0.352 nan 8.250 nan 0.000 0.440 458 L N 0.814 121.983 121.223 -0.090 0.000 2.056 458 L HA -0.009 4.331 4.340 0.001 0.000 0.207 458 L C 2.128 178.949 176.870 -0.080 0.000 1.078 458 L CA 2.251 57.047 54.840 -0.074 0.000 0.749 458 L CB -1.053 40.983 42.059 -0.038 0.000 0.901 458 L HN 0.281 nan 8.230 nan 0.000 0.433 459 G N -0.781 107.984 108.800 -0.059 0.000 2.440 459 G HA2 -0.369 3.592 3.960 0.001 0.000 0.218 459 G HA3 -0.369 3.592 3.960 0.001 0.000 0.218 459 G C 1.763 176.605 174.900 -0.097 0.000 1.154 459 G CA 0.950 46.025 45.100 -0.041 0.000 0.767 459 G HN 0.384 nan 8.290 nan 0.000 0.552 460 R N 0.887 121.265 120.500 -0.203 0.000 2.073 460 R HA 0.027 4.367 4.340 0.001 0.000 0.229 460 R C 2.328 178.510 176.300 -0.195 0.000 1.120 460 R CA 1.812 57.758 56.100 -0.257 0.000 0.967 460 R CB -0.824 29.120 30.300 -0.594 0.000 0.862 460 R HN 0.491 nan 8.270 nan 0.000 0.436 461 E N 0.072 120.152 120.200 -0.201 0.000 2.118 461 E HA -0.187 4.163 4.350 0.001 0.000 0.195 461 E C 1.635 178.197 176.600 -0.062 0.000 0.992 461 E CA 1.442 57.770 56.400 -0.119 0.000 0.804 461 E CB -0.081 29.559 29.700 -0.100 0.000 0.741 461 E HN 0.431 nan 8.360 nan 0.000 0.458 462 L N -1.039 120.153 121.223 -0.052 0.000 2.313 462 L HA 0.084 4.424 4.340 0.001 0.000 0.214 462 L C 1.762 178.628 176.870 -0.008 0.000 1.119 462 L CA 0.682 55.514 54.840 -0.013 0.000 0.809 462 L CB 0.081 42.136 42.059 -0.008 0.000 0.933 462 L HN 0.465 nan 8.230 nan 0.000 0.449 463 G N -0.718 108.061 108.800 -0.036 0.000 2.179 463 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 463 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 463 G C 0.832 175.708 174.900 -0.040 0.000 0.990 463 G CA 0.215 45.295 45.100 -0.033 0.000 0.646 463 G HN 0.229 nan 8.290 nan 0.000 0.517 464 L N -0.258 120.939 121.223 -0.042 0.000 2.109 464 L HA 0.270 4.610 4.340 0.001 0.000 0.207 464 L C 1.620 178.433 176.870 -0.095 0.000 1.086 464 L CA 0.841 55.651 54.840 -0.049 0.000 0.760 464 L CB -0.221 41.822 42.059 -0.028 0.000 0.910 464 L HN 0.221 nan 8.230 nan 0.000 0.437 465 L N -0.303 120.855 121.223 -0.108 0.000 2.343 465 L HA 0.247 4.587 4.340 0.001 0.000 0.275 465 L C 0.649 177.443 176.870 -0.127 0.000 1.056 465 L CA -0.467 54.271 54.840 -0.170 0.000 0.804 465 L CB 1.760 43.744 42.059 -0.124 0.000 1.203 465 L HN 0.123 nan 8.230 nan 0.000 0.440 466 S N 0.257 115.865 115.700 -0.153 0.000 2.655 466 S HA 0.090 4.560 4.470 0.001 0.000 0.265 466 S C 0.858 175.447 174.600 -0.018 0.000 1.240 466 S CA -0.405 57.745 58.200 -0.084 0.000 0.986 466 S CB 1.333 64.476 63.200 -0.095 0.000 0.985 466 S HN 0.772 nan 8.310 nan 0.000 0.562 467 E N 0.318 120.523 120.200 0.009 0.000 2.077 467 E HA -0.238 4.113 4.350 0.001 0.000 0.193 467 E C 1.885 178.530 176.600 0.075 0.000 0.989 467 E CA 1.465 57.901 56.400 0.060 0.000 0.800 467 E CB -0.231 29.493 29.700 0.040 0.000 0.746 467 E HN 0.864 nan 8.360 nan 0.000 0.452 468 E N -0.005 120.215 120.200 0.035 0.000 2.106 468 E HA -0.237 4.113 4.350 0.001 0.000 0.192 468 E C 2.154 178.797 176.600 0.072 0.000 0.984 468 E CA 1.185 57.611 56.400 0.042 0.000 0.806 468 E CB 0.074 29.786 29.700 0.020 0.000 0.750 468 E HN 0.378 nan 8.360 nan 0.000 0.458 469 Q N -0.657 119.155 119.800 0.019 0.000 2.050 469 Q HA -0.209 4.131 4.340 0.001 0.000 0.202 469 Q C 2.001 178.166 176.000 0.276 0.000 0.980 469 Q CA 1.567 57.382 55.803 0.021 0.000 0.840 469 Q CB -0.307 28.137 28.738 -0.490 0.000 0.898 469 Q HN 0.378 nan 8.270 nan 0.000 0.424 470 Y N 1.671 122.019 120.300 0.080 0.000 2.293 470 Y HA -0.155 4.395 4.550 0.001 0.000 0.291 470 Y C 2.204 178.175 175.900 0.118 0.000 1.137 470 Y CA 1.223 59.396 58.100 0.122 0.000 1.202 470 Y CB 0.013 38.510 38.460 0.061 0.000 0.990 470 Y HN -0.074 nan 8.280 nan 0.000 0.537 471 K N -0.339 120.090 120.400 0.048 0.000 2.097 471 K HA -0.195 4.126 4.320 0.001 0.000 0.206 471 K C 2.033 178.615 176.600 -0.030 0.000 1.049 471 K CA 1.425 57.693 56.287 -0.031 0.000 0.933 471 K CB -0.416 32.101 32.500 0.029 0.000 0.717 471 K HN 0.355 nan 8.250 nan 0.000 0.442 472 L N 0.781 122.045 121.223 0.068 0.000 2.017 472 L HA -0.138 4.202 4.340 0.001 0.000 0.208 472 L C 1.934 178.840 176.870 0.060 0.000 1.073 472 L CA 1.497 56.394 54.840 0.095 0.000 0.745 472 L CB -0.522 41.666 42.059 0.215 0.000 0.894 472 L HN -0.011 nan 8.230 nan 0.000 0.432 473 V N -0.162 119.795 119.914 0.072 0.000 2.287 473 V HA -0.336 3.785 4.120 0.001 0.000 0.248 473 V C 2.650 178.667 176.094 -0.129 0.000 1.053 473 V CA 2.252 64.544 62.300 -0.014 0.000 1.027 473 V CB -0.748 31.074 31.823 -0.001 0.000 0.646 473 V HN 0.450 nan 8.190 nan 0.000 0.447 474 K N -0.227 119.996 120.400 -0.295 0.000 2.057 474 K HA -0.195 4.125 4.320 0.001 0.000 0.207 474 K C 2.186 178.727 176.600 -0.099 0.000 1.049 474 K CA 1.757 57.898 56.287 -0.243 0.000 0.931 474 K CB -0.200 32.107 32.500 -0.322 0.000 0.714 474 K HN 0.587 nan 8.250 nan 0.000 0.440 475 E N 0.650 120.805 120.200 -0.074 0.000 2.038 475 E HA -0.202 4.148 4.350 0.001 0.000 0.195 475 E C 2.042 178.630 176.600 -0.020 0.000 1.000 475 E CA 1.230 57.608 56.400 -0.037 0.000 0.803 475 E CB -0.156 29.526 29.700 -0.030 0.000 0.750 475 E HN 0.214 nan 8.360 nan 0.000 0.448 476 L N 0.768 121.978 121.223 -0.021 0.000 2.046 476 L HA -0.204 4.136 4.340 0.001 0.000 0.208 476 L C 2.575 179.491 176.870 0.076 0.000 1.077 476 L CA 1.193 56.041 54.840 0.014 0.000 0.747 476 L CB -0.373 41.730 42.059 0.073 0.000 0.896 476 L HN 0.160 nan 8.230 nan 0.000 0.432 477 E N 0.113 120.347 120.200 0.057 0.000 2.118 477 E HA -0.221 4.129 4.350 0.001 0.000 0.195 477 E C 2.393 179.029 176.600 0.060 0.000 0.992 477 E CA 1.100 57.539 56.400 0.066 0.000 0.804 477 E CB 0.144 29.861 29.700 0.029 0.000 0.741 477 E HN 0.329 nan 8.360 nan 0.000 0.458 478 R N 0.060 120.581 120.500 0.034 0.000 2.073 478 R HA -0.086 4.255 4.340 0.001 0.000 0.229 478 R C 2.260 178.590 176.300 0.050 0.000 1.120 478 R CA 1.331 57.449 56.100 0.029 0.000 0.967 478 R CB -0.086 30.216 30.300 0.004 0.000 0.862 478 R HN 0.213 nan 8.270 nan 0.000 0.436 479 E N 0.611 120.857 120.200 0.076 0.000 2.077 479 E HA -0.188 4.163 4.350 0.001 0.000 0.193 479 E C 1.996 178.763 176.600 0.279 0.000 0.989 479 E CA 1.112 57.605 56.400 0.155 0.000 0.800 479 E CB -0.103 29.717 29.700 0.199 0.000 0.746 479 E HN 0.313 nan 8.360 nan 0.000 0.452 480 I N 1.208 121.904 120.570 0.210 0.000 2.163 480 I HA -0.264 3.906 4.170 0.001 0.000 0.243 480 I C 2.430 178.670 176.117 0.204 0.000 1.085 480 I CA 1.005 62.431 61.300 0.210 0.000 1.347 480 I CB -0.169 37.906 38.000 0.125 0.000 1.044 480 I HN 0.057 nan 8.210 nan 0.000 0.408 481 E N 1.063 121.343 120.200 0.134 0.000 2.072 481 E HA -0.178 4.172 4.350 0.001 0.000 0.191 481 E C 2.140 178.788 176.600 0.080 0.000 0.985 481 E CA 1.107 57.569 56.400 0.103 0.000 0.801 481 E CB -0.125 29.616 29.700 0.068 0.000 0.750 481 E HN 0.469 nan 8.360 nan 0.000 0.452 482 K N -0.516 119.901 120.400 0.028 0.000 2.032 482 K HA -0.169 4.151 4.320 0.001 0.000 0.209 482 K C 2.173 178.708 176.600 -0.109 0.000 1.048 482 K CA 1.437 57.669 56.287 -0.093 0.000 0.927 482 K CB -0.318 32.043 32.500 -0.231 0.000 0.712 482 K HN 0.172 nan 8.250 nan 0.000 0.441 483 W N 1.710 122.997 121.300 -0.023 0.000 2.358 483 W HA -0.125 4.536 4.660 0.001 0.000 0.303 483 W C 2.158 178.691 176.519 0.023 0.000 1.208 483 W CA 0.907 58.213 57.345 -0.064 0.000 1.274 483 W CB 0.017 29.466 29.460 -0.019 0.000 1.138 483 W HN 0.029 nan 8.180 nan 0.000 0.515 484 K N -0.049 120.545 120.400 0.323 0.000 2.057 484 K HA -0.167 4.154 4.320 0.001 0.000 0.207 484 K C 1.717 178.430 176.600 0.189 0.000 1.049 484 K CA 1.351 57.804 56.287 0.277 0.000 0.931 484 K CB -0.279 32.342 32.500 0.201 0.000 0.714 484 K HN 0.007 nan 8.250 nan 0.000 0.440 485 E N 0.265 120.540 120.200 0.125 0.000 2.204 485 E HA -0.149 4.201 4.350 0.001 0.000 0.194 485 E C 1.727 178.372 176.600 0.075 0.000 0.989 485 E CA 0.729 57.176 56.400 0.078 0.000 0.824 485 E CB -0.169 29.559 29.700 0.046 0.000 0.756 485 E HN 0.257 nan 8.360 nan 0.000 0.477 486 F N 0.755 120.646 119.950 -0.099 0.000 2.098 486 F HA -0.205 4.323 4.527 0.001 0.000 0.294 486 F C 1.863 177.623 175.800 -0.067 0.000 1.107 486 F CA 1.215 59.116 58.000 -0.165 0.000 1.234 486 F CB -0.498 38.274 39.000 -0.379 0.000 1.002 486 F HN -0.091 nan 8.300 nan 0.000 0.472 487 Y N 0.774 121.076 120.300 0.004 0.000 2.497 487 Y HA -0.062 4.489 4.550 0.001 0.000 0.292 487 Y C 2.133 177.918 175.900 -0.191 0.000 1.137 487 Y CA 0.963 58.953 58.100 -0.183 0.000 1.285 487 Y CB -0.917 37.548 38.460 0.009 0.000 0.991 487 Y HN 0.131 nan 8.280 nan 0.000 0.556 488 K N -0.624 119.794 120.400 0.031 0.000 2.400 488 K HA 0.010 4.330 4.320 0.001 0.000 0.194 488 K C 1.718 178.284 176.600 -0.055 0.000 1.033 488 K CA 0.987 57.271 56.287 -0.004 0.000 1.021 488 K CB 0.126 32.643 32.500 0.029 0.000 0.808 488 K HN 0.265 nan 8.250 nan 0.000 0.505 489 S N -0.308 115.326 115.700 -0.109 0.000 2.540 489 S HA 0.140 4.610 4.470 0.001 0.000 0.222 489 S C 0.176 174.681 174.600 -0.160 0.000 1.008 489 S CA -0.418 57.718 58.200 -0.108 0.000 0.939 489 S CB 0.400 63.555 63.200 -0.075 0.000 0.865 489 S HN -0.034 nan 8.310 nan 0.000 0.499 490 E N 2.903 122.943 120.200 -0.268 0.000 2.014 490 E HA 0.348 4.699 4.350 0.001 0.000 0.275 490 E C -0.386 176.086 176.600 -0.213 0.000 0.997 490 E CA -0.146 56.099 56.400 -0.259 0.000 0.804 490 E CB 0.789 30.197 29.700 -0.487 0.000 1.090 490 E HN 0.371 nan 8.360 nan 0.000 0.401 491 R N 1.084 121.515 120.500 -0.116 0.000 2.500 491 R HA 0.544 4.885 4.340 0.001 0.000 0.275 491 R C 0.045 176.269 176.300 -0.127 0.000 1.051 491 R CA -0.620 55.406 56.100 -0.123 0.000 1.088 491 R CB 1.225 31.472 30.300 -0.089 0.000 1.063 491 R HN 0.157 nan 8.270 nan 0.000 0.511 492 V N 0.317 120.103 119.914 -0.214 0.000 3.078 492 V HA 0.316 4.437 4.120 0.001 0.000 0.311 492 V C -0.363 175.569 176.094 -0.269 0.000 1.138 492 V CA -0.910 61.201 62.300 -0.314 0.000 1.007 492 V CB 2.510 33.900 31.823 -0.723 0.000 1.045 492 V HN 0.738 nan 8.190 nan 0.000 0.432 493 S N 1.797 117.367 115.700 -0.217 0.000 2.437 493 S HA 0.756 5.226 4.470 0.001 0.000 0.305 493 S C -0.403 174.171 174.600 -0.043 0.000 1.109 493 S CA -0.583 57.542 58.200 -0.124 0.000 1.099 493 S CB 1.439 64.605 63.200 -0.058 0.000 1.004 493 S HN 0.952 nan 8.310 nan 0.000 0.475 494 V N -0.042 119.859 119.914 -0.021 0.000 2.914 494 V HA 0.979 5.099 4.120 0.001 0.000 0.314 494 V C -0.263 175.884 176.094 0.088 0.000 1.084 494 V CA -1.390 60.977 62.300 0.111 0.000 0.963 494 V CB 1.549 33.492 31.823 0.201 0.000 1.025 494 V HN 0.867 nan 8.190 nan 0.000 0.432 495 A N 2.922 125.817 122.820 0.125 0.000 2.621 495 A HA 0.632 4.952 4.320 0.001 0.000 0.329 495 A C -0.015 177.628 177.584 0.099 0.000 1.458 495 A CA -0.394 51.696 52.037 0.088 0.000 1.052 495 A CB -0.091 18.956 19.000 0.078 0.000 1.142 495 A HN 1.270 nan 8.150 nan 0.000 0.523 496 V N 3.781 123.752 119.914 0.094 0.000 2.149 496 V HA 0.441 4.561 4.120 0.001 0.000 0.245 496 V C 1.404 177.537 176.094 0.065 0.000 1.349 496 V CA 1.204 63.565 62.300 0.102 0.000 1.289 496 V CB -1.572 30.326 31.823 0.126 0.000 1.401 496 V HN 1.506 nan 8.190 nan 0.000 0.501 497 G N 4.167 113.001 108.800 0.057 0.000 2.596 497 G HA2 -0.155 3.805 3.960 0.001 0.000 0.258 497 G HA3 -0.155 3.805 3.960 0.001 0.000 0.258 497 G C 0.712 175.632 174.900 0.033 0.000 1.207 497 G CA -0.052 45.072 45.100 0.040 0.000 0.954 497 G HN 1.168 nan 8.290 nan 0.000 0.551 498 G N 0.659 109.474 108.800 0.025 0.000 3.820 498 G HA2 0.507 4.467 3.960 0.001 0.000 0.293 498 G HA3 0.507 4.467 3.960 0.001 0.000 0.293 498 G C -0.223 174.686 174.900 0.015 0.000 1.152 498 G CA 1.264 46.376 45.100 0.019 0.000 0.921 498 G HN 0.776 nan 8.290 nan 0.000 0.544 499 D N -0.817 119.593 120.400 0.018 0.000 2.523 499 D HA 0.612 5.253 4.640 0.001 0.000 0.236 499 D C -0.682 175.618 176.300 0.001 0.000 1.094 499 D CA -0.285 53.719 54.000 0.006 0.000 0.942 499 D CB 1.974 42.778 40.800 0.006 0.000 1.447 499 D HN -0.128 nan 8.370 nan 0.000 0.479 500 T N 2.095 116.635 114.554 -0.024 0.000 2.807 500 T HA 0.584 4.934 4.350 0.001 0.000 0.279 500 T C -0.535 174.098 174.700 -0.113 0.000 0.993 500 T CA -0.790 61.282 62.100 -0.046 0.000 0.970 500 T CB 1.073 69.918 68.868 -0.039 0.000 0.950 500 T HN 0.153 nan 8.240 nan 0.000 0.441 501 R N 1.322 121.711 120.500 -0.185 0.000 2.803 501 R HA 0.610 4.951 4.340 0.001 0.000 0.276 501 R C -0.616 175.390 176.300 -0.489 0.000 0.978 501 R CA -0.807 55.041 56.100 -0.420 0.000 0.939 501 R CB 2.105 31.999 30.300 -0.676 0.000 1.179 501 R HN 0.566 nan 8.270 nan 0.000 0.472 502 S N 2.308 117.678 115.700 -0.551 0.000 2.461 502 S HA 0.506 4.977 4.470 0.001 0.000 0.322 502 S C -1.225 173.122 174.600 -0.422 0.000 1.063 502 S CA -0.441 57.534 58.200 -0.374 0.000 1.120 502 S CB -0.002 63.068 63.200 -0.216 0.000 0.968 502 S HN 0.432 nan 8.310 nan 0.000 0.467 503 Y N 2.258 122.473 120.300 -0.141 0.000 2.485 503 Y HA 0.433 4.983 4.550 0.001 0.000 0.345 503 Y C 0.806 176.583 175.900 -0.205 0.000 0.998 503 Y CA -1.197 56.810 58.100 -0.155 0.000 1.059 503 Y CB 1.979 40.342 38.460 -0.162 0.000 1.234 503 Y HN 0.694 nan 8.280 nan 0.000 0.461 504 S N 0.296 116.005 115.700 0.016 0.000 2.592 504 S HA 0.128 4.599 4.470 0.001 0.000 0.271 504 S C 0.843 175.337 174.600 -0.177 0.000 1.326 504 S CA -0.760 57.380 58.200 -0.101 0.000 1.024 504 S CB 1.301 64.460 63.200 -0.068 0.000 0.921 504 S HN 0.546 nan 8.310 nan 0.000 0.527 505 V N 2.711 122.460 119.914 -0.274 0.000 2.324 505 V HA -0.242 3.878 4.120 0.001 0.000 0.250 505 V C 2.987 178.928 176.094 -0.254 0.000 1.060 505 V CA 2.436 64.524 62.300 -0.354 0.000 1.042 505 V CB -1.877 29.685 31.823 -0.435 0.000 0.650 505 V HN 1.037 nan 8.190 nan 0.000 0.450 506 A N -0.178 122.564 122.820 -0.129 0.000 1.908 506 A HA -0.247 4.073 4.320 0.001 0.000 0.218 506 A C 2.397 179.922 177.584 -0.099 0.000 1.181 506 A CA 2.586 54.581 52.037 -0.069 0.000 0.627 506 A CB -0.972 18.034 19.000 0.010 0.000 0.818 506 A HN 0.525 nan 8.150 nan 0.000 0.445 507 T N 0.466 114.949 114.554 -0.118 0.000 2.821 507 T HA -0.037 4.314 4.350 0.001 0.000 0.267 507 T C 1.715 176.297 174.700 -0.196 0.000 1.046 507 T CA 1.257 63.264 62.100 -0.156 0.000 1.139 507 T CB -0.360 68.405 68.868 -0.172 0.000 0.871 507 T HN 0.375 nan 8.240 nan 0.000 0.454 508 L N 0.545 121.642 121.223 -0.211 0.000 2.265 508 L HA -0.062 4.278 4.340 0.001 0.000 0.215 508 L C 2.384 179.241 176.870 -0.022 0.000 1.117 508 L CA 0.632 55.361 54.840 -0.185 0.000 0.782 508 L CB -0.557 41.242 42.059 -0.433 0.000 0.914 508 L HN 0.272 nan 8.230 nan 0.000 0.441 509 M N -0.729 118.824 119.600 -0.078 0.000 2.460 509 M HA -0.081 4.400 4.480 0.001 0.000 0.263 509 M C 2.055 178.323 176.300 -0.053 0.000 1.071 509 M CA 1.504 56.772 55.300 -0.053 0.000 1.096 509 M CB -1.415 31.133 32.600 -0.086 0.000 1.408 509 M HN 0.362 nan 8.290 nan 0.000 0.463 510 T N -4.033 110.485 114.554 -0.061 0.000 3.092 510 T HA 0.309 4.659 4.350 0.001 0.000 0.258 510 T C 1.033 175.706 174.700 -0.046 0.000 1.031 510 T CA -0.110 61.956 62.100 -0.056 0.000 0.925 510 T CB -0.062 68.761 68.868 -0.076 0.000 1.036 510 T HN 0.307 nan 8.240 nan 0.000 0.544 511 M N 1.279 120.875 119.600 -0.007 0.000 2.785 511 M HA 0.403 4.883 4.480 0.001 0.000 0.374 511 M C -0.230 176.110 176.300 0.067 0.000 1.221 511 M CA -0.380 54.938 55.300 0.030 0.000 0.912 511 M CB -0.193 32.424 32.600 0.028 0.000 1.355 511 M HN 0.153 nan 8.290 nan 0.000 0.513 512 N N -1.026 117.679 118.700 0.008 0.000 2.882 512 N HA -0.194 4.547 4.740 0.001 0.000 0.249 512 N C -1.339 174.094 175.510 -0.129 0.000 1.079 512 N CA 0.741 53.747 53.050 -0.073 0.000 0.800 512 N CB -1.524 36.890 38.487 -0.122 0.000 1.124 512 N HN 0.409 nan 8.380 nan 0.000 0.557 513 Y N 0.440 120.710 120.300 -0.051 0.000 2.360 513 Y HA 0.491 5.042 4.550 0.001 0.000 0.337 513 Y C 1.136 176.994 175.900 -0.069 0.000 1.039 513 Y CA -0.370 57.708 58.100 -0.037 0.000 1.109 513 Y CB 1.354 39.810 38.460 -0.007 0.000 1.201 513 Y HN 0.060 nan 8.280 nan 0.000 0.458 514 T N -0.462 114.140 114.554 0.080 0.000 2.952 514 T HA 0.373 4.723 4.350 0.001 0.000 0.286 514 T C 1.008 175.707 174.700 -0.002 0.000 1.024 514 T CA -0.845 61.257 62.100 0.003 0.000 1.029 514 T CB 0.942 69.793 68.868 -0.028 0.000 1.094 514 T HN 0.676 nan 8.240 nan 0.000 0.515 515 L N 0.213 121.396 121.223 -0.068 0.000 2.079 515 L HA -0.094 4.246 4.340 0.001 0.000 0.210 515 L C 2.259 179.117 176.870 -0.020 0.000 1.081 515 L CA 1.443 56.222 54.840 -0.101 0.000 0.752 515 L CB -0.563 41.415 42.059 -0.136 0.000 0.896 515 L HN 0.705 nan 8.230 nan 0.000 0.433 516 D N -0.066 120.323 120.400 -0.019 0.000 2.178 516 D HA -0.180 4.461 4.640 0.001 0.000 0.201 516 D C 1.805 178.120 176.300 0.025 0.000 0.980 516 D CA 1.090 55.087 54.000 -0.004 0.000 0.842 516 D CB -0.147 40.635 40.800 -0.030 0.000 0.948 516 D HN 0.335 nan 8.370 nan 0.000 0.472 517 D N -0.053 120.375 120.400 0.046 0.000 2.117 517 D HA -0.077 4.563 4.640 0.001 0.000 0.198 517 D C 2.294 178.687 176.300 0.155 0.000 0.982 517 D CA 0.457 54.510 54.000 0.089 0.000 0.828 517 D CB -0.079 40.802 40.800 0.135 0.000 0.967 517 D HN 0.086 nan 8.370 nan 0.000 0.464 518 V N 1.424 121.457 119.914 0.199 0.000 2.407 518 V HA -0.233 3.887 4.120 0.001 0.000 0.248 518 V C 2.477 178.746 176.094 0.292 0.000 1.055 518 V CA 1.580 64.047 62.300 0.278 0.000 1.049 518 V CB -0.440 31.448 31.823 0.108 0.000 0.662 518 V HN 0.164 nan 8.190 nan 0.000 0.455 519 K N 0.241 120.759 120.400 0.197 0.000 2.031 519 K HA -0.208 4.112 4.320 0.001 0.000 0.205 519 K C 2.260 178.930 176.600 0.118 0.000 1.049 519 K CA 1.742 58.147 56.287 0.198 0.000 0.939 519 K CB -0.148 32.438 32.500 0.143 0.000 0.717 519 K HN 0.528 nan 8.250 nan 0.000 0.438 520 E N 0.444 120.679 120.200 0.057 0.000 2.110 520 E HA -0.191 4.159 4.350 0.001 0.000 0.193 520 E C 1.520 178.090 176.600 -0.050 0.000 0.988 520 E CA 1.315 57.718 56.400 0.005 0.000 0.804 520 E CB 0.244 29.937 29.700 -0.012 0.000 0.745 520 E HN 0.271 nan 8.360 nan 0.000 0.458 521 K N -0.977 119.348 120.400 -0.125 0.000 2.168 521 K HA 0.033 4.354 4.320 0.001 0.000 0.201 521 K C 1.327 177.655 176.600 -0.454 0.000 1.049 521 K CA 0.618 56.682 56.287 -0.373 0.000 0.974 521 K CB 0.209 32.331 32.500 -0.631 0.000 0.792 521 K HN 0.069 nan 8.250 nan 0.000 0.463 522 F N -0.056 119.983 119.950 0.149 0.000 2.678 522 F HA 0.291 4.819 4.527 0.001 0.000 0.305 522 F C 1.208 177.077 175.800 0.114 0.000 1.090 522 F CA -0.041 58.061 58.000 0.171 0.000 1.272 522 F CB 0.592 39.774 39.000 0.304 0.000 1.060 522 F HN 0.161 nan 8.300 nan 0.000 0.576 523 G N -0.165 108.765 108.800 0.217 0.000 2.166 523 G HA2 -0.358 3.602 3.960 0.001 0.000 0.260 523 G HA3 -0.358 3.602 3.960 0.001 0.000 0.260 523 G C 0.157 175.143 174.900 0.144 0.000 0.986 523 G CA -0.050 45.127 45.100 0.129 0.000 0.683 523 G HN 0.340 nan 8.290 nan 0.000 0.527 524 Y N 0.664 121.116 120.300 0.253 0.000 2.330 524 Y HA 0.423 4.974 4.550 0.001 0.000 0.341 524 Y C 1.258 177.355 175.900 0.328 0.000 1.278 524 Y CA -0.196 58.104 58.100 0.333 0.000 1.453 524 Y CB 0.492 39.211 38.460 0.432 0.000 1.342 524 Y HN 0.114 nan 8.280 nan 0.000 0.590 525 E N 0.899 121.450 120.200 0.584 0.000 2.349 525 E HA 0.391 4.742 4.350 0.001 0.000 0.262 525 E C -0.721 176.159 176.600 0.467 0.000 1.088 525 E CA -0.276 56.387 56.400 0.439 0.000 0.899 525 E CB 1.490 31.433 29.700 0.405 0.000 1.044 525 E HN 0.423 nan 8.360 nan 0.000 0.420 526 V N -1.465 118.549 119.914 0.167 0.000 3.102 526 V HA 0.615 4.736 4.120 0.001 0.000 0.312 526 V C -2.672 173.097 176.094 -0.543 0.000 1.135 526 V CA -2.798 59.402 62.300 -0.167 0.000 1.022 526 V CB 1.536 33.327 31.823 -0.053 0.000 1.056 526 V HN 0.377 nan 8.190 nan 0.000 0.436 527 P HA 0.269 nan 4.420 nan 0.000 0.269 527 P C -0.071 177.106 177.300 -0.206 0.000 1.209 527 P CA -0.017 62.641 63.100 -0.737 0.000 0.776 527 P CB 0.512 31.699 31.700 -0.854 0.000 0.876 528 Q N 0.212 120.007 119.800 -0.007 0.000 2.339 528 Q HA -0.019 4.321 4.340 0.001 0.000 0.205 528 Q C 0.347 176.370 176.000 0.038 0.000 0.925 528 Q CA 0.814 56.633 55.803 0.027 0.000 0.898 528 Q CB -0.498 28.284 28.738 0.073 0.000 1.013 528 Q HN 0.604 nan 8.270 nan 0.000 0.504 529 H N 2.081 121.156 119.070 0.008 0.000 2.767 529 H HA 0.054 4.611 4.556 0.001 0.000 0.316 529 H C -1.611 173.730 175.328 0.020 0.000 1.059 529 H CA -1.379 54.686 56.048 0.029 0.000 1.461 529 H CB 1.351 31.155 29.762 0.070 0.000 1.475 529 H HN -0.129 nan 8.280 nan 0.000 0.531 530 P HA -0.271 nan 4.420 nan 0.000 0.216 530 P C 0.802 178.195 177.300 0.156 0.000 1.154 530 P CA 1.413 64.479 63.100 -0.057 0.000 0.865 530 P CB -0.042 31.584 31.700 -0.124 0.000 0.789 531 Y N -0.101 120.331 120.300 0.221 0.000 2.184 531 Y HA -0.136 4.414 4.550 0.001 0.000 0.290 531 Y C 2.166 178.206 175.900 0.233 0.000 1.129 531 Y CA 1.030 59.303 58.100 0.288 0.000 1.144 531 Y CB -0.940 37.736 38.460 0.360 0.000 0.995 531 Y HN -0.303 nan 8.280 nan 0.000 0.513 532 V N 1.041 121.094 119.914 0.232 0.000 2.332 532 V HA -0.307 3.813 4.120 0.001 0.000 0.248 532 V C 2.565 178.599 176.094 -0.101 0.000 1.055 532 V CA 2.228 64.536 62.300 0.014 0.000 1.038 532 V CB -0.680 31.197 31.823 0.090 0.000 0.651 532 V HN 0.265 nan 8.190 nan 0.000 0.450 533 K N 0.279 120.629 120.400 -0.082 0.000 2.063 533 K HA -0.237 4.083 4.320 0.001 0.000 0.208 533 K C 2.174 178.713 176.600 -0.102 0.000 1.048 533 K CA 2.224 58.425 56.287 -0.144 0.000 0.928 533 K CB -0.117 32.314 32.500 -0.115 0.000 0.713 533 K HN 0.686 nan 8.250 nan 0.000 0.442 534 E N -0.201 119.956 120.200 -0.070 0.000 2.140 534 E HA -0.133 4.217 4.350 0.001 0.000 0.191 534 E C 1.679 178.233 176.600 -0.076 0.000 0.973 534 E CA 0.589 56.965 56.400 -0.039 0.000 0.829 534 E CB 0.077 29.817 29.700 0.066 0.000 0.781 534 E HN 0.139 nan 8.360 nan 0.000 0.466 535 E N 0.117 120.176 120.200 -0.234 0.000 2.152 535 E HA -0.096 4.254 4.350 0.001 0.000 0.192 535 E C 1.893 178.449 176.600 -0.074 0.000 0.983 535 E CA 0.860 57.110 56.400 -0.251 0.000 0.818 535 E CB -0.045 29.273 29.700 -0.636 0.000 0.758 535 E HN 0.150 nan 8.360 nan 0.000 0.467 536 V N 0.741 120.627 119.914 -0.047 0.000 2.295 536 V HA -0.241 3.879 4.120 0.001 0.000 0.246 536 V C 2.409 178.538 176.094 0.059 0.000 1.049 536 V CA 2.223 64.558 62.300 0.059 0.000 1.024 536 V CB -0.521 31.368 31.823 0.111 0.000 0.648 536 V HN 0.381 nan 8.190 nan 0.000 0.447 537 E N 0.005 120.209 120.200 0.008 0.000 2.051 537 E HA -0.220 4.131 4.350 0.001 0.000 0.192 537 E C 2.217 178.835 176.600 0.030 0.000 0.991 537 E CA 1.706 58.100 56.400 -0.010 0.000 0.799 537 E CB -0.165 29.513 29.700 -0.037 0.000 0.748 537 E HN 0.592 nan 8.360 nan 0.000 0.449 538 I N 0.711 121.326 120.570 0.076 0.000 2.226 538 I HA -0.300 3.870 4.170 0.001 0.000 0.245 538 I C 2.647 178.915 176.117 0.253 0.000 1.100 538 I CA 1.259 62.678 61.300 0.197 0.000 1.374 538 I CB -0.295 37.820 38.000 0.192 0.000 1.057 538 I HN 0.248 nan 8.210 nan 0.000 0.413 539 Q N 0.357 120.255 119.800 0.163 0.000 2.124 539 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 539 Q C 2.391 178.486 176.000 0.159 0.000 0.977 539 Q CA 1.327 57.235 55.803 0.175 0.000 0.850 539 Q CB -0.010 28.809 28.738 0.135 0.000 0.901 539 Q HN 0.537 nan 8.270 nan 0.000 0.429 540 L N 0.384 121.671 121.223 0.108 0.000 2.072 540 L HA -0.162 4.178 4.340 0.001 0.000 0.205 540 L C 2.517 179.405 176.870 0.030 0.000 1.079 540 L CA 1.074 55.955 54.840 0.069 0.000 0.752 540 L CB -0.376 41.707 42.059 0.041 0.000 0.906 540 L HN 0.153 nan 8.230 nan 0.000 0.436 541 K N -0.130 120.255 120.400 -0.025 0.000 2.097 541 K HA -0.209 4.112 4.320 0.001 0.000 0.206 541 K C 1.727 178.221 176.600 -0.177 0.000 1.049 541 K CA 1.709 57.895 56.287 -0.168 0.000 0.933 541 K CB -0.070 32.222 32.500 -0.346 0.000 0.717 541 K HN 0.207 nan 8.250 nan 0.000 0.442 542 Y N 0.569 120.960 120.300 0.152 0.000 2.457 542 Y HA 0.134 4.684 4.550 0.001 0.000 0.263 542 Y C 1.849 177.902 175.900 0.255 0.000 1.164 542 Y CA 0.081 58.325 58.100 0.240 0.000 1.274 542 Y CB 0.195 38.728 38.460 0.122 0.000 1.097 542 Y HN 0.214 nan 8.280 nan 0.000 0.523 543 E N 1.024 121.382 120.200 0.262 0.000 2.086 543 E HA -0.240 4.111 4.350 0.001 0.000 0.200 543 E C -0.785 175.895 176.600 0.133 0.000 1.012 543 E CA 1.873 58.378 56.400 0.176 0.000 0.812 543 E CB -0.595 29.168 29.700 0.105 0.000 0.743 543 E HN 0.306 nan 8.360 nan 0.000 0.453 544 P HA -0.169 nan 4.420 nan 0.000 0.214 544 P C 0.641 177.886 177.300 -0.092 0.000 1.163 544 P CA 1.520 64.556 63.100 -0.106 0.000 0.883 544 P CB -0.165 31.340 31.700 -0.325 0.000 0.788 545 Y N -1.234 119.120 120.300 0.091 0.000 2.263 545 Y HA -0.062 4.489 4.550 0.001 0.000 0.292 545 Y C 2.373 178.328 175.900 0.092 0.000 1.130 545 Y CA 0.660 58.820 58.100 0.099 0.000 1.179 545 Y CB -1.348 37.208 38.460 0.160 0.000 0.998 545 Y HN -0.113 nan 8.280 nan 0.000 0.532 546 I N -0.006 120.741 120.570 0.296 0.000 2.226 546 I HA -0.253 3.918 4.170 0.001 0.000 0.245 546 I C 2.463 178.653 176.117 0.121 0.000 1.100 546 I CA 1.685 63.108 61.300 0.205 0.000 1.374 546 I CB -0.194 37.938 38.000 0.220 0.000 1.057 546 I HN 0.174 nan 8.210 nan 0.000 0.413 547 E N 1.380 121.636 120.200 0.093 0.000 2.106 547 E HA -0.233 4.118 4.350 0.001 0.000 0.192 547 E C 2.210 178.824 176.600 0.024 0.000 0.984 547 E CA 1.333 57.760 56.400 0.045 0.000 0.806 547 E CB -0.173 29.544 29.700 0.028 0.000 0.750 547 E HN 0.253 nan 8.360 nan 0.000 0.458 548 R N 0.336 120.850 120.500 0.024 0.000 2.075 548 R HA -0.121 4.219 4.340 0.001 0.000 0.232 548 R C 2.359 178.660 176.300 0.002 0.000 1.126 548 R CA 1.644 57.747 56.100 0.005 0.000 0.963 548 R CB -0.288 30.011 30.300 -0.002 0.000 0.858 548 R HN 0.300 nan 8.270 nan 0.000 0.435 549 E N 0.546 120.759 120.200 0.021 0.000 2.085 549 E HA -0.264 4.086 4.350 0.001 0.000 0.194 549 E C 2.133 178.669 176.600 -0.106 0.000 0.994 549 E CA 1.218 57.594 56.400 -0.040 0.000 0.801 549 E CB -0.120 29.579 29.700 -0.002 0.000 0.743 549 E HN 0.259 nan 8.360 nan 0.000 0.453 550 R N 0.571 121.054 120.500 -0.029 0.000 2.115 550 R HA -0.126 4.214 4.340 0.001 0.000 0.230 550 R C 2.319 178.612 176.300 -0.010 0.000 1.111 550 R CA 1.194 57.294 56.100 0.000 0.000 0.976 550 R CB -0.112 30.211 30.300 0.038 0.000 0.870 550 R HN -0.012 nan 8.270 nan 0.000 0.445 551 K N 1.237 121.628 120.400 -0.014 0.000 2.062 551 K HA -0.054 4.266 4.320 0.001 0.000 0.205 551 K C 2.127 178.713 176.600 -0.023 0.000 1.051 551 K CA 1.025 57.305 56.287 -0.011 0.000 0.941 551 K CB -0.209 32.286 32.500 -0.009 0.000 0.719 551 K HN 0.281 nan 8.250 nan 0.000 0.440 552 L N 1.078 122.275 121.223 -0.043 0.000 2.201 552 L HA -0.132 4.208 4.340 0.001 0.000 0.212 552 L C 1.315 178.145 176.870 -0.067 0.000 1.105 552 L CA 0.841 55.651 54.840 -0.051 0.000 0.775 552 L CB -0.335 41.689 42.059 -0.058 0.000 0.913 552 L HN 0.097 nan 8.230 nan 0.000 0.440 553 N N -0.406 118.234 118.700 -0.100 0.000 2.236 553 N HA -0.012 4.729 4.740 0.001 0.000 0.196 553 N C 1.267 176.784 175.510 0.012 0.000 1.114 553 N CA 0.086 53.081 53.050 -0.092 0.000 0.859 553 N CB 0.416 38.728 38.487 -0.293 0.000 0.982 553 N HN 0.345 nan 8.380 nan 0.000 0.493 554 E N 1.412 121.620 120.200 0.014 0.000 2.108 554 E HA -0.240 4.110 4.350 0.001 0.000 0.203 554 E C 1.395 178.020 176.600 0.042 0.000 1.022 554 E CA 1.429 57.850 56.400 0.035 0.000 0.823 554 E CB 0.096 29.808 29.700 0.019 0.000 0.744 554 E HN 0.357 nan 8.360 nan 0.000 0.456 555 K N 0.277 120.695 120.400 0.030 0.000 2.026 555 K HA -0.134 4.186 4.320 0.001 0.000 0.208 555 K C 2.293 178.922 176.600 0.048 0.000 1.048 555 K CA 1.033 57.340 56.287 0.032 0.000 0.929 555 K CB -0.199 32.313 32.500 0.021 0.000 0.713 555 K HN 0.146 nan 8.250 nan 0.000 0.439 556 L N 1.035 122.294 121.223 0.060 0.000 2.042 556 L HA -0.232 4.109 4.340 0.001 0.000 0.210 556 L C 2.525 179.461 176.870 0.110 0.000 1.076 556 L CA 1.182 56.077 54.840 0.090 0.000 0.749 556 L CB -0.491 41.641 42.059 0.122 0.000 0.893 556 L HN 0.111 nan 8.230 nan 0.000 0.432 557 K N 0.921 121.396 120.400 0.126 0.000 2.057 557 K HA -0.213 4.107 4.320 0.001 0.000 0.207 557 K C 2.046 178.684 176.600 0.064 0.000 1.049 557 K CA 1.465 57.813 56.287 0.101 0.000 0.931 557 K CB -0.097 32.465 32.500 0.103 0.000 0.714 557 K HN -0.077 nan 8.250 nan 0.000 0.440 558 K N 0.511 120.945 120.400 0.056 0.000 2.009 558 K HA -0.041 4.279 4.320 0.001 0.000 0.210 558 K C 1.900 178.528 176.600 0.046 0.000 1.049 558 K CA 1.739 58.052 56.287 0.044 0.000 0.929 558 K CB -0.413 32.109 32.500 0.037 0.000 0.714 558 K HN 0.215 nan 8.250 nan 0.000 0.440 559 L N 0.194 121.446 121.223 0.049 0.000 2.083 559 L HA -0.131 4.209 4.340 0.001 0.000 0.209 559 L C 2.382 179.286 176.870 0.056 0.000 1.083 559 L CA 1.424 56.294 54.840 0.049 0.000 0.752 559 L CB -0.444 41.642 42.059 0.046 0.000 0.899 559 L HN 0.248 nan 8.230 nan 0.000 0.433 560 E N 0.331 120.569 120.200 0.064 0.000 2.204 560 E HA -0.195 4.155 4.350 0.001 0.000 0.194 560 E C 1.359 178.003 176.600 0.075 0.000 0.989 560 E CA 0.981 57.425 56.400 0.074 0.000 0.824 560 E CB 0.014 29.759 29.700 0.074 0.000 0.756 560 E HN 0.341 nan 8.360 nan 0.000 0.477 561 D N -0.588 119.848 120.400 0.058 0.000 2.349 561 D HA 0.002 4.643 4.640 0.001 0.000 0.224 561 D C -0.290 176.040 176.300 0.051 0.000 1.029 561 D CA 0.447 54.478 54.000 0.053 0.000 0.879 561 D CB 0.211 41.034 40.800 0.038 0.000 0.906 561 D HN 0.005 nan 8.370 nan 0.000 0.528 562 T N 1.815 116.400 114.554 0.052 0.000 2.811 562 T HA 0.197 4.547 4.350 0.001 0.000 0.309 562 T C 0.496 175.226 174.700 0.050 0.000 1.005 562 T CA -0.547 61.581 62.100 0.047 0.000 0.955 562 T CB 1.075 69.972 68.868 0.047 0.000 0.970 562 T HN -0.115 nan 8.240 nan 0.000 0.496 563 K N 2.863 123.290 120.400 0.045 0.000 2.295 563 K HA 0.409 4.729 4.320 0.001 0.000 0.270 563 K C -0.174 176.446 176.600 0.034 0.000 1.011 563 K CA -0.292 56.018 56.287 0.038 0.000 0.953 563 K CB 0.969 33.489 32.500 0.034 0.000 0.956 563 K HN 0.518 nan 8.250 nan 0.000 0.477 564 I N 3.961 124.547 120.570 0.026 0.000 2.362 564 I HA 0.216 4.386 4.170 0.001 0.000 0.289 564 I C -2.179 173.937 176.117 -0.002 0.000 0.994 564 I CA -2.641 58.676 61.300 0.028 0.000 1.158 564 I CB 1.742 39.774 38.000 0.054 0.000 1.315 564 I HN 0.285 nan 8.210 nan 0.000 0.451 565 P HA 0.071 nan 4.420 nan 0.000 0.265 565 P C -2.106 175.166 177.300 -0.047 0.000 1.193 565 P CA -0.760 62.325 63.100 -0.024 0.000 0.765 565 P CB 0.158 31.850 31.700 -0.013 0.000 0.823 566 P HA -0.135 nan 4.420 nan 0.000 0.220 566 P C 0.122 177.395 177.300 -0.045 0.000 1.148 566 P CA 1.403 64.463 63.100 -0.066 0.000 0.803 566 P CB -0.082 31.566 31.700 -0.087 0.000 0.782 567 D N -0.833 119.540 120.400 -0.045 0.000 2.525 567 D HA 0.068 4.709 4.640 0.001 0.000 0.229 567 D C 0.550 176.807 176.300 -0.072 0.000 1.202 567 D CA -0.519 53.457 54.000 -0.041 0.000 0.828 567 D CB -1.244 39.543 40.800 -0.022 0.000 1.008 567 D HN 0.222 nan 8.370 nan 0.000 0.493 568 I N -2.274 118.213 120.570 -0.138 0.000 2.634 568 I HA 0.305 4.475 4.170 0.001 0.000 0.284 568 I C -0.196 175.733 176.117 -0.313 0.000 1.124 568 I CA -0.423 60.739 61.300 -0.229 0.000 1.417 568 I CB 0.808 38.569 38.000 -0.397 0.000 1.396 568 I HN -0.268 nan 8.210 nan 0.000 0.571 569 D N 4.935 125.192 120.400 -0.240 0.000 2.485 569 D HA 0.188 4.828 4.640 0.001 0.000 0.221 569 D C 0.628 176.787 176.300 -0.236 0.000 1.112 569 D CA -0.371 53.525 54.000 -0.174 0.000 0.911 569 D CB 0.207 40.967 40.800 -0.068 0.000 1.019 569 D HN 0.565 nan 8.370 nan 0.000 0.516 570 Y N 1.180 121.412 120.300 -0.113 0.000 2.365 570 Y HA -0.206 4.344 4.550 0.001 0.000 0.287 570 Y C 1.864 177.684 175.900 -0.134 0.000 1.162 570 Y CA 0.808 58.820 58.100 -0.147 0.000 1.260 570 Y CB 0.229 38.639 38.460 -0.083 0.000 0.976 570 Y HN 0.386 nan 8.280 nan 0.000 0.548 571 D N -0.041 120.383 120.400 0.040 0.000 2.264 571 D HA -0.112 4.528 4.640 0.001 0.000 0.208 571 D C 1.339 177.627 176.300 -0.020 0.000 0.966 571 D CA 1.121 55.130 54.000 0.014 0.000 0.864 571 D CB -0.106 40.704 40.800 0.015 0.000 0.933 571 D HN 0.406 nan 8.370 nan 0.000 0.499 572 K N 0.179 120.539 120.400 -0.065 0.000 2.458 572 K HA 0.183 4.503 4.320 0.001 0.000 0.194 572 K C 0.451 176.987 176.600 -0.106 0.000 1.024 572 K CA -0.011 56.248 56.287 -0.048 0.000 1.108 572 K CB 0.827 33.329 32.500 0.004 0.000 0.846 572 K HN 0.110 nan 8.250 nan 0.000 0.518 573 I N 4.312 124.754 120.570 -0.213 0.000 2.301 573 I HA 0.133 4.304 4.170 0.001 0.000 0.292 573 I C -2.046 174.051 176.117 -0.032 0.000 1.046 573 I CA -2.228 58.929 61.300 -0.238 0.000 1.282 573 I CB 0.755 38.554 38.000 -0.335 0.000 1.409 573 I HN -0.130 nan 8.210 nan 0.000 0.484 574 P HA 0.167 nan 4.420 nan 0.000 0.278 574 P C 0.584 177.913 177.300 0.047 0.000 1.238 574 P CA 0.136 63.266 63.100 0.051 0.000 0.794 574 P CB 1.366 33.109 31.700 0.073 0.000 0.955 575 G N 0.691 109.510 108.800 0.033 0.000 2.141 575 G HA2 -0.204 3.756 3.960 0.001 0.000 0.242 575 G HA3 -0.204 3.756 3.960 0.001 0.000 0.242 575 G C -0.513 174.400 174.900 0.021 0.000 0.982 575 G CA -0.183 44.935 45.100 0.029 0.000 0.662 575 G HN 0.557 nan 8.290 nan 0.000 0.527 576 L N 2.370 123.601 121.223 0.014 0.000 2.305 576 L HA 0.650 4.991 4.340 0.001 0.000 0.284 576 L C 1.072 177.940 176.870 -0.003 0.000 1.013 576 L CA -0.175 54.668 54.840 0.005 0.000 0.819 576 L CB 1.229 43.291 42.059 0.005 0.000 1.227 576 L HN 0.210 nan 8.230 nan 0.000 0.417 577 T N 2.326 116.875 114.554 -0.008 0.000 2.663 577 T HA 0.006 4.357 4.350 0.001 0.000 0.325 577 T C 1.195 175.885 174.700 -0.016 0.000 1.059 577 T CA 0.347 62.441 62.100 -0.010 0.000 1.039 577 T CB 0.359 69.219 68.868 -0.013 0.000 0.996 577 T HN 0.676 nan 8.240 nan 0.000 0.539 578 K N 0.502 120.894 120.400 -0.013 0.000 2.243 578 K HA -0.016 4.304 4.320 0.001 0.000 0.201 578 K C 1.785 178.372 176.600 -0.022 0.000 1.051 578 K CA 0.790 57.068 56.287 -0.015 0.000 0.970 578 K CB 0.004 32.499 32.500 -0.010 0.000 0.755 578 K HN 0.613 nan 8.250 nan 0.000 0.465 579 E N 0.917 121.105 120.200 -0.021 0.000 2.285 579 E HA -0.010 4.340 4.350 0.001 0.000 0.194 579 E C 1.837 178.417 176.600 -0.033 0.000 0.997 579 E CA 1.028 57.415 56.400 -0.022 0.000 0.845 579 E CB -0.173 29.518 29.700 -0.015 0.000 0.782 579 E HN 0.386 nan 8.360 nan 0.000 0.491 580 A N 2.761 125.555 122.820 -0.044 0.000 1.930 580 A HA -0.125 4.195 4.320 0.001 0.000 0.215 580 A C 2.342 179.854 177.584 -0.121 0.000 1.176 580 A CA 1.166 53.161 52.037 -0.070 0.000 0.632 580 A CB -0.483 18.482 19.000 -0.058 0.000 0.819 580 A HN 0.303 nan 8.150 nan 0.000 0.445 581 R N -0.633 119.805 120.500 -0.103 0.000 2.148 581 R HA -0.025 4.316 4.340 0.001 0.000 0.223 581 R C 1.534 177.750 176.300 -0.140 0.000 1.088 581 R CA 1.474 57.487 56.100 -0.144 0.000 0.985 581 R CB -0.339 29.935 30.300 -0.044 0.000 0.880 581 R HN 0.310 nan 8.270 nan 0.000 0.451 582 E N 1.359 121.512 120.200 -0.078 0.000 2.150 582 E HA -0.063 4.287 4.350 0.001 0.000 0.193 582 E C 1.506 178.080 176.600 -0.044 0.000 0.985 582 E CA 1.294 57.663 56.400 -0.053 0.000 0.814 582 E CB 0.160 29.842 29.700 -0.031 0.000 0.752 582 E HN 0.380 nan 8.360 nan 0.000 0.466 583 K N -0.400 119.982 120.400 -0.030 0.000 2.116 583 K HA 0.044 4.365 4.320 0.001 0.000 0.203 583 K C 2.048 178.686 176.600 0.063 0.000 1.052 583 K CA 0.616 56.958 56.287 0.091 0.000 0.952 583 K CB 0.020 32.561 32.500 0.068 0.000 0.729 583 K HN 0.137 nan 8.250 nan 0.000 0.446 584 L N 1.065 122.154 121.223 -0.223 0.000 2.156 584 L HA -0.136 4.204 4.340 0.001 0.000 0.208 584 L C 2.143 178.773 176.870 -0.400 0.000 1.095 584 L CA 1.224 55.747 54.840 -0.529 0.000 0.770 584 L CB -0.221 41.040 42.059 -1.330 0.000 0.914 584 L HN 0.097 nan 8.230 nan 0.000 0.439 585 K N -0.062 120.195 120.400 -0.238 0.000 2.155 585 K HA -0.099 4.222 4.320 0.001 0.000 0.203 585 K C 2.080 178.681 176.600 0.001 0.000 1.052 585 K CA 0.898 57.193 56.287 0.013 0.000 0.948 585 K CB 0.111 32.627 32.500 0.026 0.000 0.728 585 K HN 0.264 nan 8.250 nan 0.000 0.448 586 K N -0.118 120.249 120.400 -0.055 0.000 2.067 586 K HA -0.002 4.318 4.320 0.001 0.000 0.203 586 K C 1.927 178.394 176.600 -0.221 0.000 1.048 586 K CA 1.083 57.271 56.287 -0.166 0.000 0.954 586 K CB -0.046 32.299 32.500 -0.257 0.000 0.737 586 K HN 0.029 nan 8.250 nan 0.000 0.444 587 F N 1.579 121.486 119.950 -0.071 0.000 2.293 587 F HA 0.024 4.552 4.527 0.001 0.000 0.297 587 F C 0.311 176.113 175.800 0.003 0.000 1.089 587 F CA 0.567 58.535 58.000 -0.053 0.000 1.377 587 F CB -0.159 38.811 39.000 -0.051 0.000 1.051 587 F HN -0.113 nan 8.300 nan 0.000 0.511 588 K N -0.122 120.410 120.400 0.220 0.000 3.451 588 K HA -0.186 4.134 4.320 0.001 0.000 0.273 588 K C -2.580 174.192 176.600 0.285 0.000 0.944 588 K CA -0.242 56.216 56.287 0.285 0.000 0.734 588 K CB -1.852 30.836 32.500 0.313 0.000 1.437 588 K HN 0.168 nan 8.250 nan 0.000 0.454 589 P HA -0.071 nan 4.420 nan 0.000 0.267 589 P C 1.048 178.408 177.300 0.099 0.000 1.200 589 P CA 0.147 63.332 63.100 0.141 0.000 0.772 589 P CB 0.388 32.147 31.700 0.099 0.000 0.855 590 I N -0.744 119.828 120.570 0.003 0.000 3.783 590 I HA 0.169 4.339 4.170 0.001 0.000 0.310 590 I C 0.227 176.315 176.117 -0.047 0.000 1.274 590 I CA 0.191 61.448 61.300 -0.072 0.000 1.294 590 I CB -0.079 37.786 38.000 -0.224 0.000 1.051 590 I HN 0.282 nan 8.210 nan 0.000 0.435 591 T N -2.860 111.685 114.554 -0.015 0.000 2.864 591 T HA 0.436 4.786 4.350 0.001 0.000 0.299 591 T C 0.574 175.300 174.700 0.042 0.000 1.166 591 T CA -0.495 61.617 62.100 0.021 0.000 1.007 591 T CB 2.081 70.970 68.868 0.036 0.000 1.219 591 T HN -0.186 nan 8.240 nan 0.000 0.506 592 V N 1.485 121.430 119.914 0.052 0.000 2.667 592 V HA 0.088 4.208 4.120 0.001 0.000 0.252 592 V C 2.783 178.901 176.094 0.039 0.000 1.065 592 V CA 2.229 64.561 62.300 0.054 0.000 1.083 592 V CB -1.286 30.572 31.823 0.058 0.000 0.692 592 V HN 1.093 nan 8.190 nan 0.000 0.468 593 G N -0.841 107.984 108.800 0.043 0.000 2.421 593 G HA2 -0.325 3.636 3.960 0.001 0.000 0.216 593 G HA3 -0.325 3.636 3.960 0.001 0.000 0.216 593 G C 1.525 176.440 174.900 0.025 0.000 1.171 593 G CA 0.960 46.085 45.100 0.041 0.000 0.775 593 G HN 0.517 nan 8.290 nan 0.000 0.543 594 Q N 0.180 119.993 119.800 0.021 0.000 2.119 594 Q HA 0.014 4.354 4.340 0.001 0.000 0.201 594 Q C 2.783 178.763 176.000 -0.034 0.000 0.972 594 Q CA 1.381 57.183 55.803 -0.002 0.000 0.847 594 Q CB -0.295 28.442 28.738 -0.003 0.000 0.903 594 Q HN 0.397 nan 8.270 nan 0.000 0.433 595 A N 0.861 123.673 122.820 -0.015 0.000 1.902 595 A HA -0.187 4.133 4.320 0.001 0.000 0.217 595 A C 2.159 179.704 177.584 -0.066 0.000 1.181 595 A CA 1.877 53.892 52.037 -0.037 0.000 0.623 595 A CB -0.802 18.207 19.000 0.015 0.000 0.818 595 A HN 0.593 nan 8.150 nan 0.000 0.443 596 S N -0.977 114.702 115.700 -0.034 0.000 2.603 596 S HA -0.004 4.466 4.470 0.001 0.000 0.229 596 S C 1.539 176.106 174.600 -0.054 0.000 0.972 596 S CA 0.766 58.944 58.200 -0.035 0.000 0.935 596 S CB -0.294 62.901 63.200 -0.007 0.000 0.769 596 S HN 0.596 nan 8.310 nan 0.000 0.536 597 R N -0.022 120.433 120.500 -0.075 0.000 2.362 597 R HA 0.412 4.752 4.340 0.001 0.000 0.227 597 R C -0.101 176.102 176.300 -0.163 0.000 0.905 597 R CA -0.119 55.929 56.100 -0.087 0.000 1.067 597 R CB 0.112 30.378 30.300 -0.056 0.000 1.078 597 R HN 0.449 nan 8.270 nan 0.000 0.516 598 I N 2.078 122.502 120.570 -0.243 0.000 2.556 598 I HA -0.061 4.109 4.170 0.001 0.000 0.284 598 I C 0.278 176.233 176.117 -0.270 0.000 1.114 598 I CA -0.177 60.868 61.300 -0.425 0.000 1.418 598 I CB 0.454 38.126 38.000 -0.548 0.000 1.394 598 I HN -0.037 nan 8.210 nan 0.000 0.552 599 D N 4.832 125.085 120.400 -0.245 0.000 2.417 599 D HA 0.312 4.952 4.640 0.001 0.000 0.250 599 D C 0.921 177.163 176.300 -0.096 0.000 1.166 599 D CA 1.372 55.299 54.000 -0.121 0.000 0.881 599 D CB 0.696 41.456 40.800 -0.067 0.000 1.164 599 D HN 0.771 nan 8.370 nan 0.000 0.467 600 G N 3.840 112.600 108.800 -0.066 0.000 2.313 600 G HA2 -0.216 3.744 3.960 0.001 0.000 0.215 600 G HA3 -0.216 3.744 3.960 0.001 0.000 0.215 600 G C 0.341 175.209 174.900 -0.053 0.000 1.023 600 G CA -0.084 44.988 45.100 -0.047 0.000 0.626 600 G HN 0.551 nan 8.290 nan 0.000 0.503 601 I N 3.482 124.005 120.570 -0.077 0.000 2.683 601 I HA 0.249 4.419 4.170 0.001 0.000 0.286 601 I C 1.451 177.541 176.117 -0.046 0.000 1.175 601 I CA 1.005 62.264 61.300 -0.069 0.000 1.429 601 I CB 0.183 38.129 38.000 -0.091 0.000 1.371 601 I HN 0.469 nan 8.210 nan 0.000 0.569 602 T N 4.355 118.890 114.554 -0.033 0.000 2.928 602 T HA 0.358 4.708 4.350 0.001 0.000 0.284 602 T C -1.787 172.905 174.700 -0.013 0.000 1.008 602 T CA -1.827 60.261 62.100 -0.020 0.000 1.057 602 T CB 1.591 70.450 68.868 -0.014 0.000 1.018 602 T HN 0.295 nan 8.240 nan 0.000 0.493 603 P HA -0.062 nan 4.420 nan 0.000 0.218 603 P C 1.526 178.829 177.300 0.005 0.000 1.146 603 P CA 1.228 64.327 63.100 -0.001 0.000 0.813 603 P CB -0.165 31.535 31.700 0.001 0.000 0.778 604 A N -0.088 122.735 122.820 0.004 0.000 1.898 604 A HA -0.043 4.278 4.320 0.001 0.000 0.216 604 A C 2.304 179.895 177.584 0.012 0.000 1.181 604 A CA 1.801 53.843 52.037 0.009 0.000 0.620 604 A CB -1.506 17.498 19.000 0.006 0.000 0.819 604 A HN 0.189 nan 8.150 nan 0.000 0.442 605 A N -0.410 122.412 122.820 0.004 0.000 1.933 605 A HA -0.085 4.235 4.320 0.001 0.000 0.218 605 A C 1.996 179.591 177.584 0.018 0.000 1.175 605 A CA 1.716 53.755 52.037 0.004 0.000 0.628 605 A CB -0.533 18.457 19.000 -0.017 0.000 0.814 605 A HN 0.406 nan 8.150 nan 0.000 0.444 606 I N -0.078 120.501 120.570 0.015 0.000 2.286 606 I HA -0.164 4.007 4.170 0.001 0.000 0.248 606 I C 2.503 178.646 176.117 0.042 0.000 1.115 606 I CA 1.918 63.235 61.300 0.028 0.000 1.392 606 I CB -0.467 37.544 38.000 0.018 0.000 1.065 606 I HN 0.291 nan 8.210 nan 0.000 0.418 607 T N 0.238 114.813 114.554 0.036 0.000 2.737 607 T HA -0.127 4.223 4.350 0.001 0.000 0.265 607 T C 2.046 176.780 174.700 0.057 0.000 1.038 607 T CA 1.359 63.484 62.100 0.041 0.000 1.144 607 T CB -0.541 68.346 68.868 0.031 0.000 0.866 607 T HN 0.427 nan 8.240 nan 0.000 0.434 608 A N 1.425 124.279 122.820 0.056 0.000 1.917 608 A HA -0.094 4.226 4.320 0.001 0.000 0.219 608 A C 2.249 179.902 177.584 0.116 0.000 1.182 608 A CA 1.551 53.633 52.037 0.075 0.000 0.633 608 A CB -0.882 18.152 19.000 0.056 0.000 0.819 608 A HN 0.407 nan 8.150 nan 0.000 0.448 609 L N -0.547 120.740 121.223 0.108 0.000 2.093 609 L HA -0.032 4.308 4.340 0.001 0.000 0.208 609 L C 2.243 179.209 176.870 0.161 0.000 1.085 609 L CA 1.492 56.420 54.840 0.148 0.000 0.755 609 L CB -0.426 41.713 42.059 0.133 0.000 0.904 609 L HN 0.403 nan 8.230 nan 0.000 0.435 610 L N -1.958 119.330 121.223 0.109 0.000 2.056 610 L HA -0.174 4.166 4.340 0.001 0.000 0.207 610 L C 2.402 179.322 176.870 0.082 0.000 1.078 610 L CA 0.833 55.724 54.840 0.085 0.000 0.749 610 L CB -0.523 41.572 42.059 0.059 0.000 0.901 610 L HN 0.091 nan 8.230 nan 0.000 0.433 611 V N -0.901 119.066 119.914 0.089 0.000 2.295 611 V HA -0.348 3.772 4.120 0.001 0.000 0.246 611 V C 2.223 178.364 176.094 0.080 0.000 1.049 611 V CA 1.941 64.284 62.300 0.072 0.000 1.024 611 V CB -0.673 31.195 31.823 0.075 0.000 0.648 611 V HN 0.411 nan 8.190 nan 0.000 0.447 612 Y N 0.212 120.523 120.300 0.018 0.000 2.207 612 Y HA -0.202 4.349 4.550 0.001 0.000 0.287 612 Y C 1.912 177.814 175.900 0.003 0.000 1.156 612 Y CA 1.458 59.565 58.100 0.012 0.000 1.182 612 Y CB -0.048 38.423 38.460 0.017 0.000 0.979 612 Y HN 0.189 nan 8.280 nan 0.000 0.521 613 L N 0.408 121.668 121.223 0.062 0.000 2.627 613 L HA 0.228 4.569 4.340 0.001 0.000 0.233 613 L C 1.407 178.245 176.870 -0.053 0.000 1.144 613 L CA 1.024 55.860 54.840 -0.007 0.000 0.892 613 L CB -0.636 41.467 42.059 0.073 0.000 1.039 613 L HN 0.381 nan 8.230 nan 0.000 0.442 614 G N -0.332 108.429 108.800 -0.066 0.000 2.289 614 G HA2 -0.288 3.673 3.960 0.001 0.000 0.280 614 G HA3 -0.288 3.673 3.960 0.001 0.000 0.280 614 G C 0.342 175.232 174.900 -0.017 0.000 1.089 614 G CA 0.229 45.297 45.100 -0.052 0.000 0.939 614 G HN 0.262 nan 8.290 nan 0.000 0.499 615 K N 0.000 120.402 120.400 0.003 0.000 2.780 615 K HA 0.000 4.320 4.320 0.001 0.000 0.191 615 K CA 0.000 56.294 56.287 0.012 0.000 0.838 615 K CB 0.000 32.515 32.500 0.025 0.000 1.064 615 K HN 0.000 nan 8.250 nan 0.000 0.543