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 3koz_1_D DATA FIRST_RESID 5 DATA SEQUENCE LQLRVNEKLD VENILKDLDK YTPKRRGWTW RQPAENLQMG PFIYKDASTP DATA SEQUENCE LENSVALPSA KYFGDIDPQP LPVITTEIAS GRFEDDIRRM RMAAWHGADH DATA SEQUENCE IMVIRTAGQS HYDGLIEGTP QGIGGVPITR KQVRAQRKAL DLIEEEVGRP DATA SEQUENCE INYHSYVSGV AGPDIAVMFA EEGVNGAHQD PQYNVLYRNI NMIRSFIDAC DATA SEQUENCE ESKTIMAWAD MAQIDXXXGA HNANATAREA WKVMPELMVQ HALNSIFSLK DATA SEQUENCE VGMKKSNICL STVPPTAPPA PSMYLDLPYA VALREMFEGY RMRAQMNTKY DATA SEQUENCE MEASTREATV THVLNLLISK LTRADIQSTI TPDEGRNVPW HIYNIEACDT DATA SEQUENCE AKQALIGMDG LMDMVQLKRE GVLGDTVREL KERAVLFMEE IIEAGGYFNA DATA SEQUENCE VEQGFFVDSG YYPERNGDGI ARQINGGIGA GTVFERDEDY MAPVTAHFGY DATA SEQUENCE NNVKQYDEAL VSEPSKLIDG CTLEVPEKIV YIDELDENDN VNVRMEETKE DATA SEQUENCE FRXXSMIKPE VEWQADGTVL LTMFLPTSKR VAEFAAIEFA KKMNLEEVEV DATA SEQUENCE INREVMQEAE GTRIELKGRV PFSIDINSLV IPPXXXILSE DEIREDIEKT DATA SEQUENCE PLKIVAATVG EDEHSVGLRE VIDIKHGGIE KYGVEVHYLG TSVPVEKLVD DATA SEQUENCE AAIELKADAI LASTIISHDD IHYKNMKRIH ELAVEKGIRD KIMIGCGGTQ DATA SEQUENCE VTPEVAVKQG VDAGFGRGSK GIHVATFLVK KRREMR 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.880 176.870 0.017 0.000 1.165 5 L CA 0.000 54.850 54.840 0.016 0.000 0.813 5 L CB 0.000 42.071 42.059 0.021 0.000 0.961 6 Q N -0.544 119.268 119.800 0.020 0.000 2.389 6 Q HA 0.354 4.698 4.340 0.006 0.000 0.430 6 Q C -1.139 174.879 176.000 0.030 0.000 0.548 6 Q CA -0.165 55.651 55.803 0.022 0.000 0.974 6 Q CB 1.228 29.979 28.738 0.020 0.000 1.259 6 Q HN 0.112 nan 8.270 nan 0.000 0.307 7 L N 3.242 124.486 121.223 0.036 0.000 3.339 7 L HA -0.204 4.140 4.340 0.006 0.000 0.610 7 L C -1.017 175.890 176.870 0.061 0.000 1.015 7 L CA 0.339 55.211 54.840 0.053 0.000 1.223 7 L CB -0.462 41.639 42.059 0.070 0.000 1.327 7 L HN 0.489 nan 8.230 nan 0.000 0.716 8 R N 2.790 123.322 120.500 0.054 0.000 2.368 8 R HA 0.264 4.608 4.340 0.006 0.000 0.302 8 R C 1.110 177.454 176.300 0.073 0.000 1.002 8 R CA -0.032 56.102 56.100 0.056 0.000 0.929 8 R CB 1.492 31.812 30.300 0.033 0.000 1.073 8 R HN 0.495 nan 8.270 nan 0.000 0.464 9 V N 0.373 120.349 119.914 0.105 0.000 2.913 9 V HA -0.153 3.970 4.120 0.006 0.000 0.260 9 V C 1.055 177.152 176.094 0.006 0.000 1.098 9 V CA 1.864 64.247 62.300 0.137 0.000 1.121 9 V CB -0.584 31.391 31.823 0.254 0.000 0.714 9 V HN 0.821 nan 8.190 nan 0.000 0.487 10 N N -0.495 118.206 118.700 0.002 0.000 2.177 10 N HA 0.139 4.883 4.740 0.006 0.000 0.218 10 N C -0.039 175.454 175.510 -0.029 0.000 1.182 10 N CA -0.213 52.819 53.050 -0.030 0.000 0.882 10 N CB 0.413 38.892 38.487 -0.013 0.000 1.052 10 N HN 0.691 nan 8.380 nan 0.000 0.519 11 E N 1.283 121.473 120.200 -0.017 0.000 2.158 11 E HA 0.269 4.623 4.350 0.006 0.000 0.271 11 E C -0.718 175.867 176.600 -0.024 0.000 0.911 11 E CA -0.681 55.710 56.400 -0.016 0.000 0.767 11 E CB 2.084 31.783 29.700 -0.002 0.000 1.120 11 E HN 0.082 nan 8.360 nan 0.000 0.405 12 K N 1.828 122.208 120.400 -0.034 0.000 2.559 12 K HA -0.027 4.297 4.320 0.006 0.000 0.279 12 K C 0.044 176.631 176.600 -0.021 0.000 0.967 12 K CA 0.133 56.397 56.287 -0.038 0.000 1.000 12 K CB 0.399 32.877 32.500 -0.037 0.000 0.890 12 K HN 0.404 nan 8.250 nan 0.000 0.501 13 L N 2.838 124.049 121.223 -0.021 0.000 2.615 13 L HA -0.079 4.265 4.340 0.006 0.000 0.271 13 L C 0.541 177.403 176.870 -0.013 0.000 1.183 13 L CA -0.021 54.814 54.840 -0.009 0.000 0.933 13 L CB 0.008 42.062 42.059 -0.008 0.000 1.199 13 L HN 0.569 nan 8.230 nan 0.000 0.487 14 D N 3.561 123.957 120.400 -0.007 0.000 2.398 14 D HA -0.029 4.615 4.640 0.006 0.000 0.250 14 D C 0.907 177.201 176.300 -0.009 0.000 1.287 14 D CA 0.102 54.098 54.000 -0.008 0.000 0.992 14 D CB 1.126 41.925 40.800 -0.003 0.000 1.071 14 D HN 0.309 nan 8.370 nan 0.000 0.514 15 V N 3.527 123.431 119.914 -0.018 0.000 2.913 15 V HA -0.142 3.982 4.120 0.006 0.000 0.260 15 V C 1.768 177.852 176.094 -0.015 0.000 1.098 15 V CA 1.702 63.989 62.300 -0.023 0.000 1.121 15 V CB -0.198 31.594 31.823 -0.052 0.000 0.714 15 V HN 0.490 nan 8.190 nan 0.000 0.487 16 E N 0.247 120.440 120.200 -0.012 0.000 2.072 16 E HA -0.218 4.135 4.350 0.006 0.000 0.190 16 E C 1.997 178.601 176.600 0.005 0.000 0.982 16 E CA 1.496 57.894 56.400 -0.003 0.000 0.803 16 E CB -0.099 29.599 29.700 -0.004 0.000 0.755 16 E HN 0.746 nan 8.360 nan 0.000 0.453 17 N N -0.139 118.563 118.700 0.003 0.000 2.396 17 N HA -0.052 4.692 4.740 0.006 0.000 0.180 17 N C 1.536 177.047 175.510 0.002 0.000 1.028 17 N CA 0.518 53.571 53.050 0.004 0.000 0.893 17 N CB 0.177 38.666 38.487 0.004 0.000 0.967 17 N HN 0.120 nan 8.380 nan 0.000 0.440 18 I N 0.077 120.646 120.570 -0.001 0.000 2.233 18 I HA -0.194 3.979 4.170 0.006 0.000 0.243 18 I C 1.340 177.455 176.117 -0.003 0.000 1.093 18 I CA 0.912 62.204 61.300 -0.014 0.000 1.380 18 I CB -0.358 37.634 38.000 -0.012 0.000 1.067 18 I HN 0.205 nan 8.210 nan 0.000 0.413 19 L N 0.885 122.126 121.223 0.029 0.000 2.675 19 L HA -0.049 4.294 4.340 0.006 0.000 0.238 19 L C 0.564 177.461 176.870 0.045 0.000 1.155 19 L CA 0.551 55.428 54.840 0.060 0.000 0.881 19 L CB -0.534 41.579 42.059 0.090 0.000 1.008 19 L HN 0.130 nan 8.230 nan 0.000 0.443 20 K N 0.921 121.334 120.400 0.022 0.000 2.234 20 K HA 0.146 4.470 4.320 0.006 0.000 0.277 20 K C -0.330 176.275 176.600 0.008 0.000 1.038 20 K CA -0.466 55.833 56.287 0.019 0.000 0.888 20 K CB 0.935 33.444 32.500 0.015 0.000 1.091 20 K HN -0.010 nan 8.250 nan 0.000 0.467 21 D N 2.232 122.635 120.400 0.005 0.000 2.947 21 D HA -0.172 4.472 4.640 0.006 0.000 0.224 21 D C 0.679 176.945 176.300 -0.057 0.000 1.132 21 D CA 0.533 54.522 54.000 -0.018 0.000 0.801 21 D CB -1.185 39.614 40.800 -0.003 0.000 1.097 21 D HN 0.560 nan 8.370 nan 0.000 0.431 22 L N 0.585 121.760 121.223 -0.080 0.000 2.450 22 L HA -0.165 4.179 4.340 0.006 0.000 0.224 22 L C 2.270 178.847 176.870 -0.488 0.000 1.149 22 L CA 1.496 56.239 54.840 -0.161 0.000 0.816 22 L CB -0.284 41.748 42.059 -0.046 0.000 0.932 22 L HN 0.145 nan 8.230 nan 0.000 0.449 23 D N -0.549 119.534 120.400 -0.529 0.000 2.312 23 D HA -0.155 4.488 4.640 0.006 0.000 0.211 23 D C 1.503 177.627 176.300 -0.294 0.000 0.964 23 D CA 0.769 54.375 54.000 -0.656 0.000 0.877 23 D CB -0.038 40.585 40.800 -0.295 0.000 0.924 23 D HN 0.213 nan 8.370 nan 0.000 0.515 24 K N -0.453 119.854 120.400 -0.154 0.000 2.355 24 K HA 0.040 4.364 4.320 0.006 0.000 0.198 24 K C -0.021 176.563 176.600 -0.026 0.000 1.039 24 K CA -0.511 55.736 56.287 -0.067 0.000 1.075 24 K CB 0.001 32.480 32.500 -0.034 0.000 0.870 24 K HN 0.256 nan 8.250 nan 0.000 0.540 25 Y N 2.626 122.846 120.300 -0.133 0.000 2.377 25 Y HA 0.076 4.630 4.550 0.007 0.000 0.330 25 Y C 0.017 175.881 175.900 -0.060 0.000 1.108 25 Y CA 0.052 58.100 58.100 -0.087 0.000 1.308 25 Y CB 0.577 38.985 38.460 -0.086 0.000 1.216 25 Y HN -0.061 nan 8.280 nan 0.000 0.518 26 T N 6.564 120.594 114.554 -0.874 0.000 2.924 26 T HA 0.482 4.836 4.350 0.006 0.000 0.291 26 T C -2.955 171.083 174.700 -1.104 0.000 1.045 26 T CA -2.262 59.405 62.100 -0.723 0.000 1.015 26 T CB 1.676 70.346 68.868 -0.329 0.000 1.103 26 T HN 0.439 nan 8.240 nan 0.000 0.496 27 P HA 0.207 nan 4.420 nan 0.000 0.282 27 P C 0.719 177.912 177.300 -0.180 0.000 1.262 27 P CA -0.464 62.479 63.100 -0.262 0.000 0.773 27 P CB 1.320 32.992 31.700 -0.046 0.000 0.879 28 K N 3.991 124.325 120.400 -0.109 0.000 2.049 28 K HA -0.200 4.124 4.320 0.006 0.000 0.219 28 K C 0.957 177.522 176.600 -0.058 0.000 1.056 28 K CA 1.705 57.953 56.287 -0.065 0.000 0.946 28 K CB 0.148 32.637 32.500 -0.018 0.000 0.723 28 K HN 0.584 nan 8.250 nan 0.000 0.453 29 R N -1.199 119.273 120.500 -0.046 0.000 3.076 29 R HA 0.528 4.871 4.340 0.006 0.000 0.239 29 R C -0.428 175.846 176.300 -0.043 0.000 1.392 29 R CA -1.109 54.961 56.100 -0.050 0.000 1.044 29 R CB 1.020 31.286 30.300 -0.057 0.000 1.389 29 R HN -0.073 nan 8.270 nan 0.000 0.498 30 R N -0.912 119.555 120.500 -0.055 0.000 2.799 30 R HA 0.602 4.946 4.340 0.006 0.000 0.270 30 R C -0.774 175.488 176.300 -0.063 0.000 1.010 30 R CA -0.447 55.623 56.100 -0.050 0.000 0.916 30 R CB 2.188 32.443 30.300 -0.074 0.000 1.228 30 R HN 0.989 nan 8.270 nan 0.000 0.469 31 G N 0.776 109.553 108.800 -0.039 0.000 2.756 31 G HA2 -0.230 3.734 3.960 0.006 0.000 0.678 31 G HA3 -0.230 3.734 3.960 0.006 0.000 0.678 31 G C -1.228 173.667 174.900 -0.009 0.000 1.349 31 G CA -0.432 44.654 45.100 -0.022 0.000 0.847 31 G HN 0.583 nan 8.290 nan 0.000 0.548 32 W N 1.740 122.918 121.300 -0.204 0.000 2.316 32 W HA 0.595 5.259 4.660 0.006 0.000 0.321 32 W C 0.513 176.802 176.519 -0.383 0.000 1.203 32 W CA 0.364 57.509 57.345 -0.334 0.000 1.214 32 W CB 1.462 30.641 29.460 -0.468 0.000 1.169 32 W HN 1.089 nan 8.180 nan 0.000 0.561 33 T N 2.250 116.150 114.554 -1.090 0.000 2.807 33 T HA 0.397 4.751 4.350 0.006 0.000 0.279 33 T C -0.684 173.445 174.700 -0.951 0.000 0.993 33 T CA -0.546 61.104 62.100 -0.750 0.000 0.970 33 T CB 1.095 69.671 68.868 -0.487 0.000 0.950 33 T HN 0.455 nan 8.240 nan 0.000 0.441 34 W N 1.335 122.574 121.300 -0.100 0.000 2.166 34 W HA 0.553 5.217 4.660 0.006 0.000 0.364 34 W C 1.064 177.551 176.519 -0.054 0.000 1.344 34 W CA -1.378 55.983 57.345 0.026 0.000 1.471 34 W CB 0.803 30.339 29.460 0.127 0.000 1.220 34 W HN 0.427 nan 8.180 nan 0.000 0.666 35 R N 1.318 121.985 120.500 0.279 0.000 2.459 35 R HA 0.165 4.509 4.340 0.006 0.000 0.281 35 R C -0.350 176.014 176.300 0.106 0.000 1.050 35 R CA -0.728 55.443 56.100 0.119 0.000 1.055 35 R CB 0.688 31.045 30.300 0.095 0.000 1.045 35 R HN 0.266 nan 8.270 nan 0.000 0.495 36 Q N 2.773 122.604 119.800 0.051 0.000 2.303 36 Q HA 0.279 4.623 4.340 0.006 0.000 0.257 36 Q C -2.362 173.652 176.000 0.022 0.000 0.941 36 Q CA -2.559 53.267 55.803 0.038 0.000 0.931 36 Q CB 1.010 29.760 28.738 0.021 0.000 1.215 36 Q HN 0.265 nan 8.270 nan 0.000 0.437 37 P HA -0.001 nan 4.420 nan 0.000 0.262 37 P C -0.746 176.560 177.300 0.011 0.000 1.199 37 P CA 0.319 63.427 63.100 0.013 0.000 0.763 37 P CB 0.422 32.127 31.700 0.008 0.000 0.790 38 A N 3.442 126.269 122.820 0.011 0.000 2.969 38 A HA 0.220 4.544 4.320 0.006 0.000 0.328 38 A C 0.324 177.925 177.584 0.027 0.000 1.355 38 A CA -0.449 51.596 52.037 0.013 0.000 1.018 38 A CB -0.643 18.359 19.000 0.004 0.000 1.159 38 A HN 0.431 nan 8.150 nan 0.000 0.505 39 E N 1.783 121.998 120.200 0.025 0.000 2.452 39 E HA 0.043 4.397 4.350 0.006 0.000 0.261 39 E C 0.184 176.809 176.600 0.040 0.000 0.987 39 E CA 0.355 56.773 56.400 0.030 0.000 0.926 39 E CB 0.129 29.840 29.700 0.018 0.000 0.934 39 E HN 0.607 nan 8.360 nan 0.000 0.452 40 N N 1.789 120.520 118.700 0.052 0.000 2.708 40 N HA -0.251 4.492 4.740 0.006 0.000 0.251 40 N C -0.646 174.908 175.510 0.073 0.000 1.017 40 N CA 0.433 53.517 53.050 0.057 0.000 0.742 40 N CB -1.020 37.487 38.487 0.033 0.000 0.943 40 N HN 0.285 nan 8.380 nan 0.000 0.539 41 L N 0.817 122.100 121.223 0.101 0.000 2.426 41 L HA 0.131 4.475 4.340 0.006 0.000 0.271 41 L C 0.779 177.751 176.870 0.170 0.000 1.169 41 L CA 0.232 55.135 54.840 0.105 0.000 0.836 41 L CB 0.746 42.852 42.059 0.079 0.000 1.112 41 L HN 0.251 nan 8.230 nan 0.000 0.465 42 Q N 5.065 124.943 119.800 0.129 0.000 2.314 42 Q HA 0.565 4.909 4.340 0.006 0.000 0.259 42 Q C -1.314 174.783 176.000 0.163 0.000 0.951 42 Q CA -0.237 55.657 55.803 0.152 0.000 0.909 42 Q CB 1.161 29.947 28.738 0.079 0.000 1.236 42 Q HN 0.802 nan 8.270 nan 0.000 0.444 43 M N 4.055 123.818 119.600 0.272 0.000 2.204 43 M HA 0.498 4.982 4.480 0.006 0.000 0.293 43 M C 0.168 176.609 176.300 0.235 0.000 0.994 43 M CA 0.188 55.616 55.300 0.212 0.000 0.925 43 M CB 1.786 34.466 32.600 0.134 0.000 1.577 43 M HN 1.009 nan 8.290 nan 0.000 0.439 44 G N 4.813 113.683 108.800 0.116 0.000 2.556 44 G HA2 -0.237 3.727 3.960 0.006 0.000 0.283 44 G HA3 -0.237 3.727 3.960 0.006 0.000 0.283 44 G C -2.304 172.547 174.900 -0.081 0.000 1.177 44 G CA -0.056 45.075 45.100 0.052 0.000 0.978 44 G HN 0.530 nan 8.290 nan 0.000 0.554 45 P HA 0.377 nan 4.420 nan 0.000 0.255 45 P C 0.022 176.978 177.300 -0.574 0.000 1.248 45 P CA 0.415 63.192 63.100 -0.538 0.000 0.807 45 P CB 0.112 31.296 31.700 -0.859 0.000 1.150 46 F N -0.578 119.359 119.950 -0.023 0.000 2.541 46 F HA 0.471 5.001 4.527 0.006 0.000 0.331 46 F C 0.636 176.315 175.800 -0.200 0.000 1.057 46 F CA -1.548 56.342 58.000 -0.184 0.000 0.975 46 F CB 0.888 39.659 39.000 -0.381 0.000 1.246 46 F HN -0.379 nan 8.300 nan 0.000 0.484 47 I N 1.306 121.813 120.570 -0.106 0.000 2.474 47 I HA 0.310 4.484 4.170 0.006 0.000 0.294 47 I C -1.423 174.489 176.117 -0.341 0.000 1.005 47 I CA -0.806 60.427 61.300 -0.111 0.000 1.113 47 I CB 1.738 39.724 38.000 -0.023 0.000 1.289 47 I HN 0.456 nan 8.210 nan 0.000 0.436 48 Y N 5.801 126.121 120.300 0.033 0.000 2.328 48 Y HA 0.327 4.881 4.550 0.006 0.000 0.337 48 Y C 1.026 176.928 175.900 0.003 0.000 0.966 48 Y CA -0.770 57.335 58.100 0.009 0.000 1.136 48 Y CB 1.465 39.930 38.460 0.009 0.000 1.170 48 Y HN 0.418 nan 8.280 nan 0.000 0.470 49 K N 1.128 121.587 120.400 0.097 0.000 2.116 49 K HA -0.034 4.290 4.320 0.006 0.000 0.203 49 K C -0.412 176.228 176.600 0.067 0.000 1.052 49 K CA 1.104 57.426 56.287 0.059 0.000 0.952 49 K CB 0.246 32.758 32.500 0.020 0.000 0.729 49 K HN 0.705 nan 8.250 nan 0.000 0.446 50 D N 0.548 121.000 120.400 0.086 0.000 2.892 50 D HA 0.194 4.838 4.640 0.006 0.000 0.291 50 D C -0.410 175.924 176.300 0.057 0.000 1.341 50 D CA -0.066 53.969 54.000 0.058 0.000 0.844 50 D CB 0.551 41.375 40.800 0.040 0.000 1.093 50 D HN 0.020 nan 8.370 nan 0.000 0.480 51 A N 0.845 123.705 122.820 0.067 0.000 2.293 51 A HA 0.611 4.935 4.320 0.006 0.000 0.302 51 A C 0.754 178.336 177.584 -0.004 0.000 1.119 51 A CA -0.388 51.650 52.037 0.001 0.000 0.823 51 A CB 0.972 19.937 19.000 -0.058 0.000 1.097 51 A HN 0.200 nan 8.150 nan 0.000 0.491 52 S N 0.158 115.843 115.700 -0.024 0.000 2.767 52 S HA 0.644 5.117 4.470 0.006 0.000 0.300 52 S C 0.104 174.684 174.600 -0.033 0.000 1.123 52 S CA -0.228 57.964 58.200 -0.014 0.000 0.992 52 S CB 0.418 63.617 63.200 -0.002 0.000 1.138 52 S HN 0.811 nan 8.310 nan 0.000 0.550 53 T N 3.274 117.812 114.554 -0.027 0.000 2.934 53 T HA 0.309 4.662 4.350 0.006 0.000 0.306 53 T C -2.376 172.291 174.700 -0.056 0.000 1.042 53 T CA -0.318 61.760 62.100 -0.037 0.000 1.145 53 T CB -0.350 68.498 68.868 -0.033 0.000 0.982 53 T HN 0.491 nan 8.240 nan 0.000 0.544 54 P HA 0.287 nan 4.420 nan 0.000 0.274 54 P C -0.179 177.068 177.300 -0.088 0.000 1.246 54 P CA -0.614 62.437 63.100 -0.080 0.000 0.795 54 P CB 0.534 32.191 31.700 -0.072 0.000 1.006 55 L N 1.288 122.445 121.223 -0.109 0.000 2.399 55 L HA 0.221 4.565 4.340 0.006 0.000 0.265 55 L C 1.630 178.407 176.870 -0.155 0.000 1.089 55 L CA -0.200 54.553 54.840 -0.146 0.000 0.802 55 L CB 0.570 42.516 42.059 -0.189 0.000 1.180 55 L HN 0.474 nan 8.230 nan 0.000 0.454 56 E N 0.484 120.576 120.200 -0.180 0.000 2.122 56 E HA 0.015 4.369 4.350 0.006 0.000 0.190 56 E C -0.191 176.267 176.600 -0.235 0.000 0.977 56 E CA 0.676 56.975 56.400 -0.167 0.000 0.820 56 E CB 0.293 29.910 29.700 -0.138 0.000 0.770 56 E HN 0.484 nan 8.360 nan 0.000 0.462 57 N N 0.364 118.811 118.700 -0.420 0.000 2.295 57 N HA 0.230 4.974 4.740 0.006 0.000 0.293 57 N C -0.964 173.979 175.510 -0.945 0.000 1.040 57 N CA -0.079 52.541 53.050 -0.716 0.000 0.840 57 N CB 2.145 40.021 38.487 -1.019 0.000 1.468 57 N HN 0.031 nan 8.380 nan 0.000 0.478 58 S N -0.406 114.977 115.700 -0.529 0.000 2.724 58 S HA 0.523 4.997 4.470 0.006 0.000 0.278 58 S C -1.645 173.096 174.600 0.236 0.000 1.190 58 S CA -0.631 57.467 58.200 -0.169 0.000 0.860 58 S CB 1.148 64.253 63.200 -0.158 0.000 1.206 58 S HN 0.053 nan 8.310 nan 0.000 0.507 59 V N 1.824 121.806 119.914 0.113 0.000 2.325 59 V HA 0.759 4.883 4.120 0.006 0.000 0.280 59 V C 0.789 176.789 176.094 -0.157 0.000 1.016 59 V CA -0.196 62.082 62.300 -0.036 0.000 0.818 59 V CB 0.324 32.001 31.823 -0.242 0.000 1.019 59 V HN 1.223 nan 8.190 nan 0.000 0.434 60 A N 5.206 127.995 122.820 -0.051 0.000 2.492 60 A HA 0.494 4.818 4.320 0.006 0.000 0.236 60 A C 0.353 177.920 177.584 -0.028 0.000 1.078 60 A CA -0.148 51.873 52.037 -0.028 0.000 0.773 60 A CB 0.115 19.127 19.000 0.020 0.000 1.023 60 A HN 0.812 nan 8.150 nan 0.000 0.504 61 L N 1.347 122.581 121.223 0.019 0.000 2.503 61 L HA 0.009 4.353 4.340 0.006 0.000 0.287 61 L C -1.191 175.718 176.870 0.066 0.000 1.252 61 L CA -0.879 53.998 54.840 0.060 0.000 0.835 61 L CB -0.074 42.045 42.059 0.100 0.000 1.099 61 L HN 0.563 nan 8.230 nan 0.000 0.516 62 P HA -0.115 nan 4.420 nan 0.000 0.215 62 P C 1.344 178.669 177.300 0.041 0.000 1.153 62 P CA 1.061 64.192 63.100 0.052 0.000 0.853 62 P CB 0.224 31.967 31.700 0.071 0.000 0.788 63 S N -1.143 114.632 115.700 0.124 0.000 2.561 63 S HA 0.090 4.564 4.470 0.006 0.000 0.225 63 S C 1.771 176.503 174.600 0.221 0.000 0.977 63 S CA 0.582 58.910 58.200 0.212 0.000 0.926 63 S CB -0.758 62.641 63.200 0.333 0.000 0.769 63 S HN 0.102 nan 8.310 nan 0.000 0.533 64 A N 2.244 125.174 122.820 0.183 0.000 2.178 64 A HA -0.124 4.199 4.320 0.006 0.000 0.218 64 A C 1.951 179.563 177.584 0.046 0.000 1.157 64 A CA 1.185 53.361 52.037 0.233 0.000 0.689 64 A CB -0.458 18.654 19.000 0.187 0.000 0.787 64 A HN 0.695 nan 8.150 nan 0.000 0.465 65 K N -1.451 118.847 120.400 -0.170 0.000 2.280 65 K HA -0.160 4.163 4.320 0.006 0.000 0.202 65 K C 1.096 177.473 176.600 -0.372 0.000 1.047 65 K CA 1.459 57.574 56.287 -0.287 0.000 0.942 65 K CB -0.518 31.745 32.500 -0.394 0.000 0.739 65 K HN 0.454 nan 8.250 nan 0.000 0.457 66 Y N 0.005 120.163 120.300 -0.237 0.000 2.516 66 Y HA 0.044 4.598 4.550 0.006 0.000 0.291 66 Y C 0.649 176.184 175.900 -0.608 0.000 1.131 66 Y CA 0.340 58.135 58.100 -0.508 0.000 1.281 66 Y CB 0.028 38.014 38.460 -0.790 0.000 1.013 66 Y HN -0.003 nan 8.280 nan 0.000 0.554 67 F N -1.291 118.772 119.950 0.189 0.000 2.764 67 F HA 0.527 5.057 4.527 0.006 0.000 0.310 67 F C 1.320 177.175 175.800 0.091 0.000 1.124 67 F CA -0.345 57.755 58.000 0.167 0.000 1.252 67 F CB 0.761 39.929 39.000 0.281 0.000 1.010 67 F HN -0.027 nan 8.300 nan 0.000 0.518 68 G N -0.063 108.826 108.800 0.148 0.000 2.157 68 G HA2 -0.256 3.707 3.960 0.006 0.000 0.239 68 G HA3 -0.256 3.707 3.960 0.006 0.000 0.239 68 G C 0.193 175.142 174.900 0.082 0.000 0.982 68 G CA -0.059 45.098 45.100 0.094 0.000 0.650 68 G HN 0.354 nan 8.290 nan 0.000 0.527 69 D N -0.558 119.898 120.400 0.093 0.000 2.907 69 D HA -0.189 4.454 4.640 0.006 0.000 0.226 69 D C 1.005 177.352 176.300 0.078 0.000 1.141 69 D CA 1.393 55.434 54.000 0.069 0.000 0.779 69 D CB -1.487 39.331 40.800 0.030 0.000 1.095 69 D HN 1.243 nan 8.370 nan 0.000 0.430 70 I N -1.904 118.740 120.570 0.123 0.000 2.634 70 I HA 0.319 4.493 4.170 0.006 0.000 0.284 70 I C 0.389 176.539 176.117 0.055 0.000 1.124 70 I CA 0.121 61.474 61.300 0.089 0.000 1.417 70 I CB 0.875 38.954 38.000 0.132 0.000 1.396 70 I HN -0.272 nan 8.210 nan 0.000 0.571 71 D N 7.460 127.856 120.400 -0.006 0.000 2.502 71 D HA 0.403 5.046 4.640 0.006 0.000 0.301 71 D C -2.505 173.739 176.300 -0.093 0.000 1.202 71 D CA -1.864 52.114 54.000 -0.037 0.000 0.878 71 D CB 0.819 41.594 40.800 -0.042 0.000 1.062 71 D HN 0.381 nan 8.370 nan 0.000 0.499 72 P HA 0.104 nan 4.420 nan 0.000 0.268 72 P C -0.557 176.632 177.300 -0.186 0.000 1.205 72 P CA -0.208 62.721 63.100 -0.286 0.000 0.771 72 P CB 0.850 32.179 31.700 -0.618 0.000 0.858 73 Q N 3.348 123.055 119.800 -0.154 0.000 2.293 73 Q HA 0.397 4.741 4.340 0.006 0.000 0.261 73 Q C -2.125 173.838 176.000 -0.062 0.000 0.960 73 Q CA -1.951 53.801 55.803 -0.084 0.000 0.882 73 Q CB 1.858 30.559 28.738 -0.061 0.000 1.275 73 Q HN 0.401 nan 8.270 nan 0.000 0.445 74 P HA 0.154 nan 4.420 nan 0.000 0.277 74 P C 0.593 177.903 177.300 0.017 0.000 1.276 74 P CA -0.371 62.729 63.100 0.000 0.000 0.788 74 P CB 1.189 32.900 31.700 0.019 0.000 1.114 75 L N -1.215 120.025 121.223 0.028 0.000 2.044 75 L HA 0.065 4.409 4.340 0.006 0.000 0.205 75 L C -1.101 175.811 176.870 0.070 0.000 1.075 75 L CA 0.718 55.581 54.840 0.038 0.000 0.747 75 L CB -2.102 39.971 42.059 0.022 0.000 0.903 75 L HN 0.293 nan 8.230 nan 0.000 0.435 76 P HA 0.032 nan 4.420 nan 0.000 0.271 76 P C -0.382 177.013 177.300 0.158 0.000 1.218 76 P CA 0.023 63.194 63.100 0.118 0.000 0.780 76 P CB 0.778 32.533 31.700 0.092 0.000 0.901 77 V N 4.291 124.358 119.914 0.254 0.000 2.529 77 V HA 0.008 4.132 4.120 0.006 0.000 0.292 77 V C 0.586 176.804 176.094 0.207 0.000 1.028 77 V CA 0.434 62.872 62.300 0.230 0.000 1.074 77 V CB -0.258 31.759 31.823 0.323 0.000 0.958 77 V HN 0.343 nan 8.190 nan 0.000 0.481 78 I N 4.980 125.646 120.570 0.160 0.000 2.336 78 I HA 0.374 4.548 4.170 0.006 0.000 0.292 78 I C 0.455 176.677 176.117 0.175 0.000 0.991 78 I CA -0.020 61.367 61.300 0.146 0.000 1.227 78 I CB 1.569 39.630 38.000 0.102 0.000 1.366 78 I HN 0.580 nan 8.210 nan 0.000 0.466 79 T N 3.441 118.086 114.554 0.150 0.000 2.895 79 T HA 0.497 4.851 4.350 0.006 0.000 0.283 79 T C 0.133 174.839 174.700 0.010 0.000 1.014 79 T CA -0.606 61.534 62.100 0.067 0.000 1.037 79 T CB 2.189 71.034 68.868 -0.038 0.000 1.006 79 T HN 0.589 nan 8.240 nan 0.000 0.468 80 T N 1.833 116.377 114.554 -0.016 0.000 2.886 80 T HA 0.339 4.693 4.350 0.006 0.000 0.292 80 T C -1.103 173.585 174.700 -0.020 0.000 1.012 80 T CA -0.734 61.368 62.100 0.003 0.000 0.982 80 T CB 0.987 69.887 68.868 0.052 0.000 1.018 80 T HN 0.622 nan 8.240 nan 0.000 0.451 81 E N 3.896 124.094 120.200 -0.004 0.000 2.167 81 E HA 0.454 4.808 4.350 0.006 0.000 0.284 81 E C -0.629 176.004 176.600 0.054 0.000 1.016 81 E CA -0.308 56.099 56.400 0.011 0.000 0.817 81 E CB 1.216 30.924 29.700 0.012 0.000 1.080 81 E HN 0.480 nan 8.360 nan 0.000 0.397 82 I N 2.598 123.213 120.570 0.074 0.000 2.503 82 I HA 0.472 4.646 4.170 0.006 0.000 0.282 82 I C -0.903 175.294 176.117 0.133 0.000 1.059 82 I CA -0.487 60.882 61.300 0.115 0.000 1.081 82 I CB 1.632 39.714 38.000 0.137 0.000 1.210 82 I HN 0.524 nan 8.210 nan 0.000 0.450 83 A N 3.520 126.420 122.820 0.133 0.000 2.522 83 A HA 0.479 4.803 4.320 0.006 0.000 0.290 83 A C 0.117 177.795 177.584 0.156 0.000 1.047 83 A CA -0.234 51.891 52.037 0.147 0.000 0.935 83 A CB 0.921 19.983 19.000 0.104 0.000 1.451 83 A HN 0.673 nan 8.150 nan 0.000 0.398 84 S N 0.894 116.730 115.700 0.227 0.000 2.526 84 S HA 0.491 4.965 4.470 0.006 0.000 0.220 84 S C 1.369 176.223 174.600 0.423 0.000 1.017 84 S CA 0.922 59.293 58.200 0.284 0.000 0.930 84 S CB 0.533 63.951 63.200 0.363 0.000 0.856 84 S HN 2.607 nan 8.310 nan 0.000 0.497 85 G N 1.476 110.478 108.800 0.335 0.000 2.231 85 G HA2 -0.160 3.803 3.960 0.006 0.000 0.206 85 G HA3 -0.160 3.803 3.960 0.006 0.000 0.206 85 G C 0.049 175.041 174.900 0.154 0.000 0.996 85 G CA -0.407 44.862 45.100 0.281 0.000 0.645 85 G HN 0.499 nan 8.290 nan 0.000 0.498 86 R N 0.554 121.122 120.500 0.113 0.000 2.415 86 R HA 0.405 4.749 4.340 0.006 0.000 0.292 86 R C 1.341 177.624 176.300 -0.028 0.000 1.295 86 R CA -0.351 55.670 56.100 -0.131 0.000 1.137 86 R CB 0.030 29.990 30.300 -0.566 0.000 1.135 86 R HN 0.383 nan 8.270 nan 0.000 0.560 87 F N 2.300 122.271 119.950 0.035 0.000 2.271 87 F HA -0.227 4.304 4.527 0.008 0.000 0.302 87 F C 1.808 177.637 175.800 0.049 0.000 1.063 87 F CA 1.430 59.471 58.000 0.068 0.000 1.362 87 F CB 0.021 39.064 39.000 0.072 0.000 1.060 87 F HN 0.374 nan 8.300 nan 0.000 0.521 88 E N 0.264 119.900 120.200 -0.940 0.000 2.371 88 E HA -0.137 4.217 4.350 0.006 0.000 0.194 88 E C 0.863 177.300 176.600 -0.272 0.000 1.012 88 E CA 1.088 57.040 56.400 -0.747 0.000 0.860 88 E CB -0.568 28.639 29.700 -0.822 0.000 0.811 88 E HN 0.525 nan 8.360 nan 0.000 0.502 89 D N 1.815 122.125 120.400 -0.151 0.000 2.202 89 D HA -0.085 4.558 4.640 0.006 0.000 0.214 89 D C 1.264 177.625 176.300 0.102 0.000 0.967 89 D CA 0.746 54.759 54.000 0.023 0.000 0.871 89 D CB -0.201 40.690 40.800 0.151 0.000 1.020 89 D HN 0.092 nan 8.370 nan 0.000 0.474 90 D N 1.173 121.661 120.400 0.147 0.000 2.254 90 D HA -0.158 4.485 4.640 0.006 0.000 0.201 90 D C 2.068 178.455 176.300 0.145 0.000 0.998 90 D CA 0.372 54.484 54.000 0.186 0.000 0.885 90 D CB -0.288 40.643 40.800 0.218 0.000 0.915 90 D HN 0.306 nan 8.370 nan 0.000 0.460 91 I N 0.297 120.928 120.570 0.102 0.000 2.394 91 I HA -0.217 3.957 4.170 0.006 0.000 0.251 91 I C 2.307 178.451 176.117 0.045 0.000 1.136 91 I CA 0.884 62.235 61.300 0.085 0.000 1.425 91 I CB 0.051 38.090 38.000 0.065 0.000 1.079 91 I HN -0.048 nan 8.210 nan 0.000 0.425 92 R N -0.192 120.314 120.500 0.011 0.000 2.148 92 R HA -0.092 4.252 4.340 0.006 0.000 0.223 92 R C 2.334 178.587 176.300 -0.078 0.000 1.088 92 R CA 0.676 56.747 56.100 -0.048 0.000 0.985 92 R CB -0.219 30.025 30.300 -0.093 0.000 0.880 92 R HN 0.286 nan 8.270 nan 0.000 0.451 93 R N 0.710 121.193 120.500 -0.028 0.000 2.093 93 R HA 0.022 4.366 4.340 0.006 0.000 0.224 93 R C 2.138 178.473 176.300 0.057 0.000 1.101 93 R CA 0.950 57.049 56.100 -0.001 0.000 0.979 93 R CB 0.047 30.460 30.300 0.188 0.000 0.877 93 R HN 0.144 nan 8.270 nan 0.000 0.441 94 M N -0.297 119.356 119.600 0.089 0.000 2.080 94 M HA -0.206 4.278 4.480 0.006 0.000 0.260 94 M C 2.430 178.801 176.300 0.117 0.000 1.068 94 M CA 1.720 57.087 55.300 0.112 0.000 1.109 94 M CB -0.386 32.289 32.600 0.125 0.000 1.342 94 M HN 0.106 nan 8.290 nan 0.000 0.405 95 R N 0.579 121.135 120.500 0.093 0.000 2.091 95 R HA -0.166 4.177 4.340 0.006 0.000 0.238 95 R C 2.074 178.469 176.300 0.158 0.000 1.136 95 R CA 1.856 58.037 56.100 0.134 0.000 0.959 95 R CB -0.155 30.180 30.300 0.059 0.000 0.856 95 R HN 0.350 nan 8.270 nan 0.000 0.437 96 M N -0.341 119.284 119.600 0.042 0.000 2.065 96 M HA -0.160 4.324 4.480 0.006 0.000 0.259 96 M C 2.519 178.911 176.300 0.154 0.000 1.071 96 M CA 2.052 57.367 55.300 0.026 0.000 1.109 96 M CB -0.398 32.154 32.600 -0.080 0.000 1.313 96 M HN 0.275 nan 8.290 nan 0.000 0.408 97 A N 0.308 123.200 122.820 0.120 0.000 1.978 97 A HA -0.056 4.268 4.320 0.006 0.000 0.220 97 A C 2.372 180.091 177.584 0.224 0.000 1.170 97 A CA 1.953 54.080 52.037 0.149 0.000 0.636 97 A CB -0.977 18.092 19.000 0.115 0.000 0.810 97 A HN 0.542 nan 8.150 nan 0.000 0.448 98 A N -1.659 121.300 122.820 0.232 0.000 1.930 98 A HA -0.100 4.224 4.320 0.006 0.000 0.217 98 A C 1.871 179.582 177.584 0.211 0.000 1.175 98 A CA 1.309 53.464 52.037 0.196 0.000 0.627 98 A CB -0.772 18.331 19.000 0.171 0.000 0.815 98 A HN 0.713 nan 8.150 nan 0.000 0.443 99 W N -0.478 120.878 121.300 0.094 0.000 2.402 99 W HA -0.050 4.614 4.660 0.007 0.000 0.286 99 W C 2.031 178.594 176.519 0.073 0.000 1.221 99 W CA 1.358 58.752 57.345 0.082 0.000 1.257 99 W CB -0.384 29.139 29.460 0.105 0.000 1.120 99 W HN 0.497 nan 8.180 nan 0.000 0.551 100 H N -1.312 117.896 119.070 0.229 0.000 2.533 100 H HA 0.215 4.775 4.556 0.006 0.000 0.271 100 H C 1.673 177.057 175.328 0.093 0.000 1.000 100 H CA 0.855 56.990 56.048 0.144 0.000 1.149 100 H CB 0.128 29.965 29.762 0.125 0.000 1.375 100 H HN 0.293 nan 8.280 nan 0.000 0.582 101 G N 0.326 109.218 108.800 0.153 0.000 2.229 101 G HA2 -0.207 3.756 3.960 0.006 0.000 0.189 101 G HA3 -0.207 3.756 3.960 0.006 0.000 0.189 101 G C 0.451 175.399 174.900 0.079 0.000 1.000 101 G CA -0.124 45.023 45.100 0.078 0.000 0.663 101 G HN 0.532 nan 8.290 nan 0.000 0.493 102 A N 1.210 124.096 122.820 0.111 0.000 2.477 102 A HA 0.523 4.847 4.320 0.006 0.000 0.246 102 A C 0.861 178.488 177.584 0.072 0.000 1.078 102 A CA 1.113 53.210 52.037 0.099 0.000 0.770 102 A CB 0.221 19.287 19.000 0.111 0.000 1.011 102 A HN 0.892 nan 8.150 nan 0.000 0.494 103 D N 0.513 120.954 120.400 0.068 0.000 2.651 103 D HA 0.094 4.738 4.640 0.006 0.000 0.280 103 D C -0.279 176.043 176.300 0.038 0.000 1.496 103 D CA 0.092 54.100 54.000 0.013 0.000 0.792 103 D CB -0.687 40.083 40.800 -0.050 0.000 1.144 103 D HN 0.706 nan 8.370 nan 0.000 0.470 104 H N 0.504 119.564 119.070 -0.016 0.000 3.224 104 H HA 0.307 4.867 4.556 0.006 0.000 0.331 104 H C -1.366 173.992 175.328 0.050 0.000 1.002 104 H CA -0.616 55.438 56.048 0.009 0.000 1.473 104 H CB 1.158 30.962 29.762 0.069 0.000 1.830 104 H HN -0.124 nan 8.280 nan 0.000 0.485 105 I N 5.870 126.497 120.570 0.095 0.000 2.355 105 I HA 0.229 4.403 4.170 0.006 0.000 0.288 105 I C -0.052 176.025 176.117 -0.066 0.000 0.999 105 I CA -0.419 60.904 61.300 0.037 0.000 1.163 105 I CB 1.398 39.498 38.000 0.167 0.000 1.316 105 I HN 0.622 nan 8.210 nan 0.000 0.454 106 M N 6.103 125.622 119.600 -0.135 0.000 2.300 106 M HA 0.470 4.954 4.480 0.006 0.000 0.348 106 M C -0.977 175.327 176.300 0.007 0.000 1.151 106 M CA -0.573 54.652 55.300 -0.125 0.000 1.046 106 M CB 1.855 34.331 32.600 -0.206 0.000 1.647 106 M HN 0.262 nan 8.290 nan 0.000 0.451 107 V N 6.438 126.382 119.914 0.050 0.000 2.325 107 V HA 0.333 4.457 4.120 0.006 0.000 0.280 107 V C 0.201 176.408 176.094 0.189 0.000 1.016 107 V CA -0.892 61.468 62.300 0.100 0.000 0.818 107 V CB 0.788 32.647 31.823 0.059 0.000 1.019 107 V HN 0.695 nan 8.190 nan 0.000 0.434 108 I N 3.483 124.106 120.570 0.088 0.000 2.813 108 I HA 0.200 4.374 4.170 0.006 0.000 0.287 108 I C 0.921 176.958 176.117 -0.134 0.000 1.196 108 I CA 0.115 61.306 61.300 -0.182 0.000 1.421 108 I CB -0.012 37.863 38.000 -0.208 0.000 1.365 108 I HN 0.548 nan 8.210 nan 0.000 0.591 109 R N 2.024 122.367 120.500 -0.261 0.000 2.543 109 R HA 0.267 4.611 4.340 0.006 0.000 0.268 109 R C 0.185 176.417 176.300 -0.114 0.000 1.067 109 R CA -0.564 55.454 56.100 -0.138 0.000 1.142 109 R CB 0.642 30.841 30.300 -0.168 0.000 1.110 109 R HN 0.604 nan 8.270 nan 0.000 0.549 110 T N 1.141 115.655 114.554 -0.067 0.000 2.916 110 T HA 0.156 4.509 4.350 0.006 0.000 0.303 110 T C 0.181 174.845 174.700 -0.061 0.000 1.025 110 T CA -0.246 61.840 62.100 -0.024 0.000 1.142 110 T CB 0.254 69.146 68.868 0.039 0.000 0.947 110 T HN 0.632 nan 8.240 nan 0.000 0.544 111 A N 3.761 126.577 122.820 -0.008 0.000 2.517 111 A HA 0.275 4.598 4.320 0.006 0.000 0.286 111 A C 1.688 179.280 177.584 0.013 0.000 0.908 111 A CA 0.835 52.877 52.037 0.008 0.000 1.089 111 A CB -1.326 17.704 19.000 0.049 0.000 0.754 111 A HN 2.208 nan 8.150 nan 0.000 0.410 112 G N 1.817 110.619 108.800 0.003 0.000 2.203 112 G HA2 -0.390 3.573 3.960 0.006 0.000 0.263 112 G HA3 -0.390 3.573 3.960 0.006 0.000 0.263 112 G C 0.774 175.639 174.900 -0.058 0.000 1.012 112 G CA 1.049 46.195 45.100 0.076 0.000 0.749 112 G HN 1.290 nan 8.290 nan 0.000 0.512 113 Q N -0.094 119.489 119.800 -0.362 0.000 2.368 113 Q HA -0.064 4.280 4.340 0.006 0.000 0.210 113 Q C 2.580 178.334 176.000 -0.410 0.000 0.982 113 Q CA 1.645 56.939 55.803 -0.849 0.000 0.884 113 Q CB -0.273 28.015 28.738 -0.749 0.000 0.933 113 Q HN 0.567 nan 8.270 nan 0.000 0.460 114 S N -0.258 115.310 115.700 -0.219 0.000 2.402 114 S HA -0.180 4.293 4.470 0.006 0.000 0.233 114 S C 1.307 175.793 174.600 -0.191 0.000 1.030 114 S CA 1.155 59.237 58.200 -0.196 0.000 1.003 114 S CB -0.300 62.756 63.200 -0.240 0.000 0.813 114 S HN 0.591 nan 8.310 nan 0.000 0.477 115 H N -1.026 118.089 119.070 0.075 0.000 2.535 115 H HA 0.095 4.655 4.556 0.006 0.000 0.273 115 H C -0.262 175.222 175.328 0.261 0.000 0.983 115 H CA 0.209 56.344 56.048 0.146 0.000 1.238 115 H CB -0.154 29.689 29.762 0.135 0.000 1.412 115 H HN 0.338 nan 8.280 nan 0.000 0.562 116 Y N 2.196 122.554 120.300 0.096 0.000 2.802 116 Y HA -0.075 4.478 4.550 0.006 0.000 0.351 116 Y C 1.016 176.936 175.900 0.034 0.000 1.237 116 Y CA -0.585 57.547 58.100 0.054 0.000 1.599 116 Y CB -0.395 38.085 38.460 0.033 0.000 1.214 116 Y HN 0.030 nan 8.280 nan 0.000 0.520 117 D N 2.741 123.237 120.400 0.159 0.000 2.767 117 D HA 0.361 5.005 4.640 0.006 0.000 0.231 117 D C 0.521 176.866 176.300 0.075 0.000 1.105 117 D CA 0.683 54.742 54.000 0.098 0.000 1.024 117 D CB -0.537 40.308 40.800 0.075 0.000 1.123 117 D HN 0.812 nan 8.370 nan 0.000 0.470 118 G N 0.482 109.335 108.800 0.087 0.000 2.333 118 G HA2 0.001 3.965 3.960 0.006 0.000 0.330 118 G HA3 0.001 3.965 3.960 0.006 0.000 0.330 118 G C -0.786 174.161 174.900 0.078 0.000 1.465 118 G CA -1.044 44.092 45.100 0.060 0.000 0.996 118 G HN 0.225 nan 8.290 nan 0.000 0.655 119 L N 0.865 122.116 121.223 0.046 0.000 2.506 119 L HA 0.360 4.703 4.340 0.006 0.000 0.281 119 L C 1.400 178.314 176.870 0.074 0.000 1.228 119 L CA 0.011 54.881 54.840 0.050 0.000 0.850 119 L CB 0.296 42.370 42.059 0.024 0.000 1.110 119 L HN 0.685 nan 8.230 nan 0.000 0.496 120 I N -1.204 119.429 120.570 0.105 0.000 3.100 120 I HA 0.608 4.782 4.170 0.006 0.000 0.312 120 I C -0.698 175.444 176.117 0.041 0.000 1.063 120 I CA -0.797 60.554 61.300 0.086 0.000 1.031 120 I CB 2.213 40.308 38.000 0.159 0.000 1.243 120 I HN 0.478 nan 8.210 nan 0.000 0.483 121 E N 1.398 121.605 120.200 0.011 0.000 2.340 121 E HA 0.562 4.916 4.350 0.006 0.000 0.273 121 E C -0.084 176.493 176.600 -0.038 0.000 0.891 121 E CA -0.065 56.313 56.400 -0.036 0.000 0.757 121 E CB 2.002 31.662 29.700 -0.066 0.000 1.231 121 E HN 1.127 nan 8.360 nan 0.000 0.439 122 G N 1.604 110.359 108.800 -0.074 0.000 2.512 122 G HA2 -0.259 3.704 3.960 0.006 0.000 0.240 122 G HA3 -0.259 3.704 3.960 0.006 0.000 0.240 122 G C -0.140 174.755 174.900 -0.009 0.000 1.246 122 G CA 0.052 45.124 45.100 -0.048 0.000 0.919 122 G HN 0.864 nan 8.290 nan 0.000 0.577 123 T N -1.091 113.490 114.554 0.046 0.000 3.542 123 T HA 0.646 5.000 4.350 0.006 0.000 0.276 123 T C -2.635 172.136 174.700 0.118 0.000 1.412 123 T CA -0.558 61.612 62.100 0.117 0.000 1.664 123 T CB 1.897 70.937 68.868 0.286 0.000 0.863 123 T HN 0.548 nan 8.240 nan 0.000 0.661 124 P HA 0.241 nan 4.420 nan 0.000 0.274 124 P C 0.016 177.365 177.300 0.082 0.000 1.231 124 P CA -0.419 62.723 63.100 0.071 0.000 0.790 124 P CB 0.563 32.305 31.700 0.071 0.000 0.951 125 Q N 0.825 120.651 119.800 0.044 0.000 2.395 125 Q HA 0.367 4.710 4.340 0.006 0.000 0.271 125 Q C 0.189 176.236 176.000 0.079 0.000 1.026 125 Q CA 0.232 56.051 55.803 0.027 0.000 0.900 125 Q CB 0.050 28.775 28.738 -0.022 0.000 1.266 125 Q HN 0.635 nan 8.270 nan 0.000 0.430 126 G N 2.708 111.570 108.800 0.103 0.000 2.491 126 G HA2 0.547 4.511 3.960 0.006 0.000 0.327 126 G HA3 0.547 4.511 3.960 0.006 0.000 0.327 126 G C -1.342 173.643 174.900 0.141 0.000 1.189 126 G CA -0.820 44.355 45.100 0.124 0.000 0.956 126 G HN 0.792 nan 8.290 nan 0.000 0.491 127 I N -0.154 120.488 120.570 0.120 0.000 2.418 127 I HA 0.536 4.710 4.170 0.006 0.000 0.287 127 I C 0.841 177.007 176.117 0.081 0.000 1.008 127 I CA 0.233 61.603 61.300 0.116 0.000 1.104 127 I CB 1.313 39.371 38.000 0.097 0.000 1.264 127 I HN 1.112 nan 8.210 nan 0.000 0.438 128 G N 4.142 112.990 108.800 0.080 0.000 2.153 128 G HA2 -0.035 3.928 3.960 0.006 0.000 0.252 128 G HA3 -0.035 3.928 3.960 0.006 0.000 0.252 128 G C 0.316 175.233 174.900 0.027 0.000 0.994 128 G CA 0.152 45.275 45.100 0.039 0.000 0.698 128 G HN 1.640 nan 8.290 nan 0.000 0.521 129 G N -2.782 106.056 108.800 0.063 0.000 2.317 129 G HA2 0.547 4.510 3.960 0.006 0.000 0.293 129 G HA3 0.547 4.510 3.960 0.006 0.000 0.293 129 G C -1.245 173.712 174.900 0.096 0.000 1.287 129 G CA 0.145 45.276 45.100 0.052 0.000 0.850 129 G HN 1.172 nan 8.290 nan 0.000 0.515 130 V N 1.607 121.577 119.914 0.093 0.000 2.435 130 V HA 0.540 4.664 4.120 0.006 0.000 0.290 130 V C -2.115 174.033 176.094 0.091 0.000 1.030 130 V CA -1.485 60.892 62.300 0.128 0.000 0.881 130 V CB 2.057 33.982 31.823 0.171 0.000 0.983 130 V HN 0.526 nan 8.190 nan 0.000 0.445 131 P HA 0.217 nan 4.420 nan 0.000 0.275 131 P C -0.498 176.852 177.300 0.084 0.000 1.276 131 P CA -0.231 62.924 63.100 0.091 0.000 0.782 131 P CB 0.103 31.881 31.700 0.130 0.000 0.851 132 I N 4.329 124.949 120.570 0.084 0.000 2.436 132 I HA 0.149 4.323 4.170 0.006 0.000 0.289 132 I C 1.075 177.261 176.117 0.116 0.000 1.083 132 I CA 0.676 62.053 61.300 0.129 0.000 1.372 132 I CB -0.400 37.726 38.000 0.209 0.000 1.408 132 I HN 0.352 nan 8.210 nan 0.000 0.516 133 T N 2.941 117.545 114.554 0.083 0.000 2.896 133 T HA 0.379 4.733 4.350 0.006 0.000 0.297 133 T C 0.920 175.661 174.700 0.069 0.000 1.108 133 T CA -0.919 61.217 62.100 0.059 0.000 1.004 133 T CB 2.147 71.016 68.868 0.002 0.000 1.159 133 T HN 0.612 nan 8.240 nan 0.000 0.499 134 R N 0.553 121.100 120.500 0.078 0.000 2.226 134 R HA -0.149 4.195 4.340 0.006 0.000 0.246 134 R C 1.975 178.354 176.300 0.131 0.000 1.161 134 R CA 1.769 57.945 56.100 0.126 0.000 0.997 134 R CB -0.146 30.229 30.300 0.124 0.000 0.870 134 R HN 0.747 nan 8.270 nan 0.000 0.465 135 K N -0.207 120.210 120.400 0.028 0.000 2.044 135 K HA -0.126 4.197 4.320 0.006 0.000 0.204 135 K C 2.165 178.684 176.600 -0.135 0.000 1.045 135 K CA 0.949 57.262 56.287 0.043 0.000 0.951 135 K CB -0.069 32.409 32.500 -0.037 0.000 0.738 135 K HN 0.080 nan 8.250 nan 0.000 0.443 136 Q N 1.176 120.785 119.800 -0.319 0.000 2.124 136 Q HA -0.121 4.223 4.340 0.006 0.000 0.202 136 Q C 1.888 177.709 176.000 -0.299 0.000 0.977 136 Q CA 1.634 57.031 55.803 -0.676 0.000 0.850 136 Q CB -0.209 28.118 28.738 -0.686 0.000 0.901 136 Q HN 0.205 nan 8.270 nan 0.000 0.429 137 V N 1.373 121.250 119.914 -0.061 0.000 2.261 137 V HA -0.232 3.892 4.120 0.006 0.000 0.246 137 V C 2.724 178.772 176.094 -0.077 0.000 1.047 137 V CA 2.155 64.482 62.300 0.046 0.000 1.015 137 V CB -0.652 31.284 31.823 0.188 0.000 0.642 137 V HN 0.335 nan 8.190 nan 0.000 0.446 138 R N -0.353 120.136 120.500 -0.018 0.000 2.091 138 R HA -0.161 4.183 4.340 0.006 0.000 0.238 138 R C 2.407 178.530 176.300 -0.296 0.000 1.136 138 R CA 1.498 57.556 56.100 -0.070 0.000 0.959 138 R CB -0.551 29.803 30.300 0.091 0.000 0.856 138 R HN 0.561 nan 8.270 nan 0.000 0.437 139 A N 0.972 123.676 122.820 -0.194 0.000 1.841 139 A HA -0.257 4.067 4.320 0.006 0.000 0.216 139 A C 2.047 179.538 177.584 -0.157 0.000 1.199 139 A CA 1.459 53.415 52.037 -0.134 0.000 0.621 139 A CB -0.656 18.361 19.000 0.028 0.000 0.835 139 A HN 0.357 nan 8.150 nan 0.000 0.445 140 Q N -1.448 118.269 119.800 -0.139 0.000 2.061 140 Q HA -0.247 4.096 4.340 0.006 0.000 0.204 140 Q C 2.391 178.165 176.000 -0.376 0.000 0.984 140 Q CA 1.906 57.610 55.803 -0.166 0.000 0.846 140 Q CB -0.199 28.489 28.738 -0.082 0.000 0.902 140 Q HN 0.552 nan 8.270 nan 0.000 0.421 141 R N 1.349 121.530 120.500 -0.532 0.000 2.115 141 R HA -0.098 4.246 4.340 0.006 0.000 0.230 141 R C 1.909 178.063 176.300 -0.244 0.000 1.111 141 R CA 1.509 57.336 56.100 -0.456 0.000 0.976 141 R CB -0.128 29.983 30.300 -0.315 0.000 0.870 141 R HN 0.072 nan 8.270 nan 0.000 0.445 142 K N -0.489 119.640 120.400 -0.453 0.000 2.026 142 K HA -0.087 4.237 4.320 0.006 0.000 0.208 142 K C 1.831 178.323 176.600 -0.181 0.000 1.048 142 K CA 1.460 57.460 56.287 -0.478 0.000 0.929 142 K CB -0.233 31.747 32.500 -0.868 0.000 0.713 142 K HN 0.235 nan 8.250 nan 0.000 0.439 143 A N 1.425 124.149 122.820 -0.160 0.000 1.877 143 A HA -0.119 4.205 4.320 0.006 0.000 0.216 143 A C 2.130 179.692 177.584 -0.038 0.000 1.186 143 A CA 1.247 53.245 52.037 -0.065 0.000 0.620 143 A CB -0.638 18.344 19.000 -0.030 0.000 0.822 143 A HN 0.324 nan 8.150 nan 0.000 0.443 144 L N -0.448 120.733 121.223 -0.069 0.000 2.131 144 L HA -0.205 4.138 4.340 0.006 0.000 0.210 144 L C 1.909 178.768 176.870 -0.017 0.000 1.092 144 L CA 1.321 56.139 54.840 -0.035 0.000 0.759 144 L CB -0.715 41.305 42.059 -0.065 0.000 0.903 144 L HN 0.297 nan 8.230 nan 0.000 0.435 145 D N 0.081 120.472 120.400 -0.014 0.000 2.182 145 D HA -0.154 4.490 4.640 0.006 0.000 0.201 145 D C 2.304 178.615 176.300 0.018 0.000 0.986 145 D CA 1.134 55.146 54.000 0.019 0.000 0.847 145 D CB -0.019 40.828 40.800 0.079 0.000 0.942 145 D HN 0.278 nan 8.370 nan 0.000 0.467 146 L N -0.112 121.122 121.223 0.017 0.000 2.049 146 L HA -0.008 4.335 4.340 0.006 0.000 0.203 146 L C 2.417 179.310 176.870 0.039 0.000 1.074 146 L CA 0.461 55.318 54.840 0.028 0.000 0.749 146 L CB -0.232 41.843 42.059 0.027 0.000 0.907 146 L HN -0.027 nan 8.230 nan 0.000 0.439 147 I N 0.466 121.066 120.570 0.049 0.000 2.151 147 I HA -0.351 3.823 4.170 0.006 0.000 0.243 147 I C 2.668 178.805 176.117 0.033 0.000 1.080 147 I CA 1.979 63.327 61.300 0.080 0.000 1.339 147 I CB -0.510 37.549 38.000 0.099 0.000 1.039 147 I HN 0.429 nan 8.210 nan 0.000 0.409 148 E N 1.516 121.719 120.200 0.005 0.000 2.110 148 E HA -0.272 4.082 4.350 0.006 0.000 0.193 148 E C 1.806 178.380 176.600 -0.045 0.000 0.988 148 E CA 1.469 57.851 56.400 -0.030 0.000 0.804 148 E CB -0.366 29.311 29.700 -0.038 0.000 0.745 148 E HN 0.567 nan 8.360 nan 0.000 0.458 149 E N 1.099 121.284 120.200 -0.024 0.000 2.077 149 E HA -0.217 4.136 4.350 0.006 0.000 0.193 149 E C 2.067 178.641 176.600 -0.042 0.000 0.989 149 E CA 1.372 57.754 56.400 -0.029 0.000 0.800 149 E CB -0.067 29.627 29.700 -0.009 0.000 0.746 149 E HN 0.414 nan 8.360 nan 0.000 0.452 150 E N 0.484 120.673 120.200 -0.019 0.000 2.012 150 E HA -0.215 4.139 4.350 0.006 0.000 0.197 150 E C 2.253 178.737 176.600 -0.193 0.000 1.007 150 E CA 2.023 58.406 56.400 -0.030 0.000 0.816 150 E CB -0.013 29.752 29.700 0.107 0.000 0.762 150 E HN 0.239 nan 8.360 nan 0.000 0.451 151 V N -2.065 117.690 119.914 -0.265 0.000 2.759 151 V HA 0.109 4.232 4.120 0.006 0.000 0.256 151 V C 1.412 177.348 176.094 -0.263 0.000 1.080 151 V CA 1.345 63.393 62.300 -0.420 0.000 1.101 151 V CB -0.624 30.968 31.823 -0.386 0.000 0.698 151 V HN 0.509 nan 8.190 nan 0.000 0.477 152 G N 0.002 108.702 108.800 -0.167 0.000 2.171 152 G HA2 -0.241 3.723 3.960 0.006 0.000 0.238 152 G HA3 -0.241 3.723 3.960 0.006 0.000 0.238 152 G C 0.069 174.906 174.900 -0.106 0.000 1.039 152 G CA 0.371 45.398 45.100 -0.122 0.000 0.759 152 G HN 0.905 nan 8.290 nan 0.000 0.501 153 R N -0.284 120.153 120.500 -0.104 0.000 2.566 153 R HA 0.447 4.790 4.340 0.006 0.000 0.271 153 R C -3.076 173.166 176.300 -0.097 0.000 1.071 153 R CA -1.755 54.287 56.100 -0.096 0.000 0.915 153 R CB 1.975 32.216 30.300 -0.098 0.000 1.228 153 R HN 0.016 nan 8.270 nan 0.000 0.449 154 P HA 0.190 nan 4.420 nan 0.000 0.267 154 P C -0.561 176.645 177.300 -0.157 0.000 1.205 154 P CA 0.118 63.140 63.100 -0.130 0.000 0.765 154 P CB 0.480 32.084 31.700 -0.161 0.000 0.828 155 I N 3.356 123.852 120.570 -0.123 0.000 2.354 155 I HA 0.211 4.385 4.170 0.006 0.000 0.292 155 I C 0.499 176.536 176.117 -0.133 0.000 0.989 155 I CA -0.651 60.587 61.300 -0.105 0.000 1.188 155 I CB 0.946 38.935 38.000 -0.019 0.000 1.342 155 I HN 0.192 nan 8.210 nan 0.000 0.457 156 N N 5.701 124.265 118.700 -0.226 0.000 2.430 156 N HA 0.093 4.837 4.740 0.006 0.000 0.265 156 N C -0.990 174.608 175.510 0.148 0.000 1.100 156 N CA -0.133 52.777 53.050 -0.232 0.000 0.961 156 N CB 1.096 39.098 38.487 -0.808 0.000 1.075 156 N HN 0.423 nan 8.380 nan 0.000 0.478 157 Y N 2.112 122.430 120.300 0.030 0.000 2.320 157 Y HA 0.272 4.825 4.550 0.006 0.000 0.334 157 Y C -0.557 175.417 175.900 0.123 0.000 1.055 157 Y CA -0.548 57.598 58.100 0.076 0.000 1.143 157 Y CB 0.596 39.057 38.460 0.002 0.000 1.193 157 Y HN 0.567 nan 8.280 nan 0.000 0.477 158 H N 3.307 122.106 119.070 -0.451 0.000 2.865 158 H HA 0.620 5.180 4.556 0.006 0.000 0.362 158 H C -1.214 173.861 175.328 -0.422 0.000 1.114 158 H CA -0.319 55.561 56.048 -0.279 0.000 1.208 158 H CB 1.748 31.553 29.762 0.071 0.000 1.727 158 H HN 0.726 nan 8.280 nan 0.000 0.534 159 S N 2.311 117.862 115.700 -0.249 0.000 2.929 159 S HA 0.424 4.897 4.470 0.006 0.000 0.311 159 S C -1.898 172.756 174.600 0.089 0.000 1.213 159 S CA -0.583 57.639 58.200 0.035 0.000 0.908 159 S CB 0.544 63.731 63.200 -0.022 0.000 1.287 159 S HN 0.518 nan 8.310 nan 0.000 0.594 160 Y N 0.271 120.728 120.300 0.262 0.000 2.409 160 Y HA 0.578 5.132 4.550 0.006 0.000 0.339 160 Y C 0.535 176.531 175.900 0.161 0.000 1.033 160 Y CA -0.643 57.563 58.100 0.176 0.000 1.094 160 Y CB 1.795 40.241 38.460 -0.024 0.000 1.210 160 Y HN 0.272 nan 8.280 nan 0.000 0.456 161 V N 1.009 121.033 119.914 0.184 0.000 3.253 161 V HA 0.109 4.233 4.120 0.006 0.000 0.320 161 V C 0.257 176.357 176.094 0.011 0.000 1.442 161 V CA -0.057 62.248 62.300 0.009 0.000 1.097 161 V CB -0.051 31.773 31.823 0.002 0.000 1.008 161 V HN 0.698 nan 8.190 nan 0.000 0.463 162 S N 0.621 116.360 115.700 0.065 0.000 2.634 162 S HA 0.718 5.191 4.470 0.006 0.000 0.261 162 S C 0.684 175.302 174.600 0.030 0.000 1.271 162 S CA 0.641 58.886 58.200 0.075 0.000 0.985 162 S CB 1.316 64.606 63.200 0.150 0.000 0.968 162 S HN 0.978 nan 8.310 nan 0.000 0.568 163 G N -0.725 108.089 108.800 0.024 0.000 2.396 163 G HA2 -0.139 3.825 3.960 0.006 0.000 0.254 163 G HA3 -0.139 3.825 3.960 0.006 0.000 0.254 163 G C 0.330 175.199 174.900 -0.053 0.000 1.248 163 G CA -0.236 44.833 45.100 -0.053 0.000 1.033 163 G HN 1.407 nan 8.290 nan 0.000 0.502 164 V N -2.941 116.945 119.914 -0.046 0.000 3.649 164 V HA 0.642 4.765 4.120 0.006 0.000 0.275 164 V C 1.643 177.741 176.094 0.007 0.000 1.281 164 V CA 1.908 64.202 62.300 -0.011 0.000 1.143 164 V CB 0.288 32.122 31.823 0.019 0.000 0.892 164 V HN 2.332 nan 8.190 nan 0.000 0.441 165 A N 0.541 123.359 122.820 -0.003 0.000 2.911 165 A HA 0.701 5.025 4.320 0.006 0.000 0.304 165 A C 1.675 179.235 177.584 -0.041 0.000 1.144 165 A CA 0.367 52.402 52.037 -0.004 0.000 0.988 165 A CB -0.362 18.647 19.000 0.014 0.000 1.141 165 A HN 0.502 nan 8.150 nan 0.000 0.552 166 G N 1.645 110.421 108.800 -0.040 0.000 2.514 166 G HA2 -0.181 3.783 3.960 0.006 0.000 0.217 166 G HA3 -0.181 3.783 3.960 0.006 0.000 0.217 166 G C -0.297 174.564 174.900 -0.065 0.000 1.198 166 G CA 1.493 46.558 45.100 -0.058 0.000 0.780 166 G HN 0.453 nan 8.290 nan 0.000 0.565 167 P HA -0.077 nan 4.420 nan 0.000 0.215 167 P C 1.033 178.314 177.300 -0.032 0.000 1.157 167 P CA 1.706 64.795 63.100 -0.018 0.000 0.874 167 P CB -0.144 31.564 31.700 0.013 0.000 0.790 168 D N -0.612 119.769 120.400 -0.032 0.000 2.103 168 D HA -0.174 4.470 4.640 0.006 0.000 0.190 168 D C 1.914 178.158 176.300 -0.093 0.000 0.997 168 D CA 1.202 55.180 54.000 -0.038 0.000 0.833 168 D CB -0.950 39.837 40.800 -0.022 0.000 0.961 168 D HN 0.177 nan 8.370 nan 0.000 0.447 169 I N 0.693 121.156 120.570 -0.177 0.000 2.315 169 I HA -0.222 3.951 4.170 0.006 0.000 0.248 169 I C 2.408 178.220 176.117 -0.509 0.000 1.117 169 I CA 0.876 61.938 61.300 -0.396 0.000 1.404 169 I CB -0.335 37.357 38.000 -0.514 0.000 1.071 169 I HN -0.017 nan 8.210 nan 0.000 0.419 170 A N 0.717 123.369 122.820 -0.279 0.000 1.902 170 A HA -0.148 4.175 4.320 0.006 0.000 0.217 170 A C 2.470 180.068 177.584 0.024 0.000 1.181 170 A CA 1.708 53.682 52.037 -0.105 0.000 0.623 170 A CB -0.960 18.023 19.000 -0.028 0.000 0.818 170 A HN 0.218 nan 8.150 nan 0.000 0.443 171 V N 0.051 119.963 119.914 -0.003 0.000 2.219 171 V HA -0.367 3.757 4.120 0.006 0.000 0.248 171 V C 2.601 178.748 176.094 0.087 0.000 1.053 171 V CA 2.394 64.710 62.300 0.028 0.000 1.009 171 V CB -0.712 31.111 31.823 -0.000 0.000 0.636 171 V HN 0.703 nan 8.190 nan 0.000 0.445 172 M N -0.877 118.767 119.600 0.074 0.000 2.073 172 M HA -0.228 4.255 4.480 0.006 0.000 0.258 172 M C 2.259 178.757 176.300 0.329 0.000 1.070 172 M CA 2.344 57.740 55.300 0.160 0.000 1.103 172 M CB -0.558 32.117 32.600 0.126 0.000 1.321 172 M HN 0.326 nan 8.290 nan 0.000 0.405 173 F N 0.698 120.707 119.950 0.099 0.000 2.043 173 F HA -0.208 4.323 4.527 0.006 0.000 0.297 173 F C 2.869 178.755 175.800 0.142 0.000 1.121 173 F CA 1.382 59.452 58.000 0.117 0.000 1.199 173 F CB -1.849 37.201 39.000 0.083 0.000 0.968 173 F HN 0.281 nan 8.300 nan 0.000 0.478 174 A N -0.186 122.854 122.820 0.365 0.000 1.873 174 A HA -0.271 4.053 4.320 0.006 0.000 0.218 174 A C 2.171 179.954 177.584 0.331 0.000 1.193 174 A CA 2.083 54.330 52.037 0.350 0.000 0.629 174 A CB -1.088 18.129 19.000 0.361 0.000 0.826 174 A HN 0.466 nan 8.150 nan 0.000 0.447 175 E N -0.446 119.907 120.200 0.255 0.000 2.035 175 E HA -0.212 4.142 4.350 0.006 0.000 0.204 175 E C 1.671 178.384 176.600 0.188 0.000 1.025 175 E CA 1.472 57.993 56.400 0.202 0.000 0.835 175 E CB -0.193 29.596 29.700 0.148 0.000 0.764 175 E HN 0.581 nan 8.360 nan 0.000 0.457 176 E N -0.639 119.681 120.200 0.200 0.000 2.511 176 E HA 0.019 4.373 4.350 0.006 0.000 0.196 176 E C 0.726 177.420 176.600 0.156 0.000 1.066 176 E CA 0.692 57.201 56.400 0.182 0.000 0.871 176 E CB 0.560 30.389 29.700 0.215 0.000 0.863 176 E HN 0.441 nan 8.360 nan 0.000 0.520 177 G N 1.167 110.058 108.800 0.152 0.000 2.248 177 G HA2 -0.252 3.712 3.960 0.006 0.000 0.252 177 G HA3 -0.252 3.712 3.960 0.006 0.000 0.252 177 G C 0.153 175.116 174.900 0.105 0.000 1.085 177 G CA 0.138 45.303 45.100 0.109 0.000 0.845 177 G HN 0.146 nan 8.290 nan 0.000 0.494 178 V N 0.405 120.385 119.914 0.110 0.000 2.455 178 V HA 0.197 4.320 4.120 0.006 0.000 0.273 178 V C 1.377 177.498 176.094 0.045 0.000 1.045 178 V CA 0.407 62.748 62.300 0.069 0.000 0.976 178 V CB 1.099 32.786 31.823 -0.227 0.000 0.993 178 V HN 0.494 nan 8.190 nan 0.000 0.475 179 N N 2.970 121.721 118.700 0.084 0.000 2.416 179 N HA 0.183 4.927 4.740 0.006 0.000 0.177 179 N C 0.640 176.289 175.510 0.232 0.000 1.036 179 N CA 0.672 53.791 53.050 0.114 0.000 0.901 179 N CB 0.255 38.761 38.487 0.032 0.000 0.976 179 N HN 0.759 nan 8.380 nan 0.000 0.444 180 G N -1.197 107.676 108.800 0.121 0.000 2.696 180 G HA2 0.793 4.757 3.960 0.006 0.000 0.295 180 G HA3 0.793 4.757 3.960 0.006 0.000 0.295 180 G C -1.833 172.555 174.900 -0.853 0.000 1.398 180 G CA -0.447 44.600 45.100 -0.089 0.000 0.920 180 G HN 0.224 nan 8.290 nan 0.000 0.492 181 A N 0.742 123.086 122.820 -0.792 0.000 2.574 181 A HA 0.704 5.028 4.320 0.006 0.000 0.297 181 A C -1.073 176.356 177.584 -0.257 0.000 1.062 181 A CA -0.818 50.776 52.037 -0.738 0.000 0.686 181 A CB 0.890 19.798 19.000 -0.154 0.000 1.285 181 A HN 0.832 nan 8.150 nan 0.000 0.403 182 H N 1.321 120.280 119.070 -0.185 0.000 2.815 182 H HA 0.486 5.046 4.556 0.006 0.000 0.350 182 H C 0.066 175.356 175.328 -0.063 0.000 1.080 182 H CA 1.328 57.300 56.048 -0.126 0.000 1.433 182 H CB 0.610 30.210 29.762 -0.269 0.000 1.432 182 H HN 0.472 nan 8.280 nan 0.000 0.592 183 Q N 2.822 122.659 119.800 0.062 0.000 2.487 183 Q HA 0.152 4.496 4.340 0.006 0.000 0.234 183 Q C -2.007 174.013 176.000 0.034 0.000 0.828 183 Q CA -0.545 55.286 55.803 0.047 0.000 0.907 183 Q CB 1.480 30.234 28.738 0.026 0.000 1.462 183 Q HN 0.759 nan 8.270 nan 0.000 0.442 184 D N 4.855 125.281 120.400 0.043 0.000 2.788 184 D HA 0.409 5.052 4.640 0.006 0.000 0.247 184 D C -2.050 174.208 176.300 -0.070 0.000 1.236 184 D CA -1.682 52.325 54.000 0.011 0.000 0.898 184 D CB 2.333 43.192 40.800 0.098 0.000 1.401 184 D HN 0.132 nan 8.370 nan 0.000 0.549 185 P HA -0.070 nan 4.420 nan 0.000 0.217 185 P C 1.253 178.277 177.300 -0.461 0.000 1.151 185 P CA 1.066 63.806 63.100 -0.600 0.000 0.828 185 P CB 0.533 31.329 31.700 -1.507 0.000 0.788 186 Q N -1.504 118.090 119.800 -0.343 0.000 2.112 186 Q HA -0.250 4.094 4.340 0.006 0.000 0.206 186 Q C 2.159 178.103 176.000 -0.093 0.000 0.987 186 Q CA 1.597 57.320 55.803 -0.133 0.000 0.858 186 Q CB -0.883 27.824 28.738 -0.053 0.000 0.905 186 Q HN 0.277 nan 8.270 nan 0.000 0.420 187 Y N 1.941 122.212 120.300 -0.048 0.000 2.081 187 Y HA -0.330 4.223 4.550 0.006 0.000 0.280 187 Y C 1.788 177.691 175.900 0.006 0.000 1.163 187 Y CA 1.908 60.069 58.100 0.101 0.000 1.135 187 Y CB -0.295 38.249 38.460 0.139 0.000 0.970 187 Y HN 0.138 nan 8.280 nan 0.000 0.498 188 N N 0.014 118.656 118.700 -0.096 0.000 2.069 188 N HA -0.190 4.554 4.740 0.006 0.000 0.191 188 N C 1.956 177.309 175.510 -0.260 0.000 1.031 188 N CA 1.979 54.911 53.050 -0.197 0.000 0.852 188 N CB -0.797 37.621 38.487 -0.114 0.000 1.018 188 N HN 0.359 nan 8.380 nan 0.000 0.423 189 V N 1.533 121.311 119.914 -0.227 0.000 2.283 189 V HA -0.114 4.010 4.120 0.006 0.000 0.243 189 V C 2.398 178.311 176.094 -0.302 0.000 1.039 189 V CA 1.121 63.303 62.300 -0.197 0.000 1.016 189 V CB -0.550 31.224 31.823 -0.083 0.000 0.650 189 V HN 0.194 nan 8.190 nan 0.000 0.449 190 L N -1.167 119.768 121.223 -0.480 0.000 2.005 190 L HA -0.160 4.184 4.340 0.006 0.000 0.207 190 L C 2.505 178.966 176.870 -0.681 0.000 1.072 190 L CA 1.958 56.377 54.840 -0.701 0.000 0.744 190 L CB -0.674 40.703 42.059 -1.137 0.000 0.895 190 L HN 0.349 nan 8.230 nan 0.000 0.433 191 Y N -1.739 118.374 120.300 -0.312 0.000 2.509 191 Y HA 0.146 4.700 4.550 0.006 0.000 0.270 191 Y C 2.181 177.900 175.900 -0.301 0.000 1.103 191 Y CA -0.082 57.828 58.100 -0.318 0.000 1.278 191 Y CB 0.045 38.261 38.460 -0.407 0.000 1.087 191 Y HN -0.059 nan 8.280 nan 0.000 0.542 192 R N 0.628 120.968 120.500 -0.267 0.000 2.432 192 R HA 0.107 4.450 4.340 0.006 0.000 0.260 192 R C 0.024 176.294 176.300 -0.051 0.000 0.935 192 R CA -0.247 55.763 56.100 -0.150 0.000 1.080 192 R CB -0.876 29.261 30.300 -0.271 0.000 1.155 192 R HN 0.239 nan 8.270 nan 0.000 0.531 193 N N 1.320 119.963 118.700 -0.095 0.000 2.702 193 N HA -0.226 4.517 4.740 0.006 0.000 0.255 193 N C -0.719 174.770 175.510 -0.035 0.000 0.983 193 N CA 0.426 53.437 53.050 -0.065 0.000 0.768 193 N CB -1.162 37.309 38.487 -0.027 0.000 0.918 193 N HN 0.316 nan 8.380 nan 0.000 0.540 194 I N 0.183 120.708 120.570 -0.075 0.000 2.532 194 I HA 0.064 4.237 4.170 0.006 0.000 0.292 194 I C 1.259 177.335 176.117 -0.068 0.000 1.014 194 I CA -0.739 60.527 61.300 -0.056 0.000 1.340 194 I CB 0.762 38.710 38.000 -0.086 0.000 1.422 194 I HN 0.295 nan 8.210 nan 0.000 0.528 195 N N 6.228 124.894 118.700 -0.058 0.000 2.411 195 N HA -0.050 4.694 4.740 0.006 0.000 0.265 195 N C 1.081 176.540 175.510 -0.085 0.000 1.266 195 N CA -0.090 52.909 53.050 -0.084 0.000 0.889 195 N CB 0.800 39.238 38.487 -0.081 0.000 1.069 195 N HN 0.694 nan 8.380 nan 0.000 0.476 196 M N 4.339 123.861 119.600 -0.130 0.000 2.159 196 M HA -0.150 4.334 4.480 0.006 0.000 0.263 196 M C 1.336 177.628 176.300 -0.015 0.000 1.063 196 M CA 1.448 56.720 55.300 -0.047 0.000 1.110 196 M CB -0.224 32.293 32.600 -0.139 0.000 1.374 196 M HN 0.457 nan 8.290 nan 0.000 0.411 197 I N 0.720 121.142 120.570 -0.247 0.000 2.142 197 I HA -0.239 3.935 4.170 0.006 0.000 0.240 197 I C 2.851 179.004 176.117 0.059 0.000 1.078 197 I CA 1.774 63.016 61.300 -0.096 0.000 1.343 197 I CB -0.739 37.166 38.000 -0.158 0.000 1.046 197 I HN 0.388 nan 8.210 nan 0.000 0.405 198 R N 1.302 121.802 120.500 -0.001 0.000 2.120 198 R HA -0.140 4.204 4.340 0.006 0.000 0.234 198 R C 2.371 178.689 176.300 0.031 0.000 1.123 198 R CA 1.951 58.060 56.100 0.016 0.000 0.975 198 R CB -0.702 29.591 30.300 -0.011 0.000 0.866 198 R HN 0.274 nan 8.270 nan 0.000 0.446 199 S N -0.767 114.943 115.700 0.017 0.000 2.348 199 S HA -0.102 4.372 4.470 0.006 0.000 0.221 199 S C 1.702 176.241 174.600 -0.103 0.000 1.033 199 S CA 1.276 59.438 58.200 -0.063 0.000 1.010 199 S CB -0.412 62.711 63.200 -0.128 0.000 0.891 199 S HN 0.431 nan 8.310 nan 0.000 0.442 200 F N 1.244 121.186 119.950 -0.013 0.000 2.234 200 F HA 0.146 4.677 4.527 0.006 0.000 0.299 200 F C 2.057 177.884 175.800 0.045 0.000 1.087 200 F CA 0.910 58.882 58.000 -0.047 0.000 1.340 200 F CB -0.248 38.716 39.000 -0.060 0.000 1.031 200 F HN 0.232 nan 8.300 nan 0.000 0.500 201 I N -0.441 120.261 120.570 0.220 0.000 2.286 201 I HA -0.243 3.930 4.170 0.006 0.000 0.245 201 I C 1.855 178.011 176.117 0.065 0.000 1.104 201 I CA 1.074 62.461 61.300 0.145 0.000 1.397 201 I CB -0.419 37.658 38.000 0.128 0.000 1.072 201 I HN -0.032 nan 8.210 nan 0.000 0.417 202 D N 1.144 121.570 120.400 0.045 0.000 2.182 202 D HA -0.170 4.474 4.640 0.006 0.000 0.201 202 D C 2.226 178.516 176.300 -0.017 0.000 0.986 202 D CA 1.488 55.494 54.000 0.010 0.000 0.847 202 D CB -0.096 40.703 40.800 -0.001 0.000 0.942 202 D HN 0.354 nan 8.370 nan 0.000 0.467 203 A N 0.032 122.843 122.820 -0.015 0.000 1.898 203 A HA -0.167 4.157 4.320 0.006 0.000 0.216 203 A C 2.518 180.093 177.584 -0.016 0.000 1.181 203 A CA 1.198 53.235 52.037 -0.001 0.000 0.620 203 A CB -0.895 18.099 19.000 -0.010 0.000 0.819 203 A HN 0.358 nan 8.150 nan 0.000 0.442 204 C N -0.839 118.391 119.300 -0.117 0.000 2.393 204 C HA -0.133 4.331 4.460 0.006 0.000 0.276 204 C C 2.687 177.451 174.990 -0.377 0.000 1.215 204 C CA 1.543 60.203 59.018 -0.596 0.000 1.743 204 C CB -1.130 25.919 27.740 -1.151 0.000 2.044 204 C HN 0.761 nan 8.230 nan 0.000 0.464 205 E N 1.353 121.448 120.200 -0.176 0.000 2.007 205 E HA -0.130 4.223 4.350 0.006 0.000 0.194 205 E C 2.274 178.856 176.600 -0.030 0.000 0.999 205 E CA 1.944 58.305 56.400 -0.066 0.000 0.811 205 E CB -0.428 29.250 29.700 -0.037 0.000 0.762 205 E HN 0.534 nan 8.360 nan 0.000 0.450 206 S N 0.608 116.292 115.700 -0.027 0.000 2.389 206 S HA -0.288 4.185 4.470 0.006 0.000 0.229 206 S C 1.872 176.480 174.600 0.013 0.000 1.048 206 S CA 1.922 60.118 58.200 -0.006 0.000 1.117 206 S CB -0.464 62.727 63.200 -0.015 0.000 1.020 206 S HN 0.256 nan 8.310 nan 0.000 0.430 207 K N 0.278 120.676 120.400 -0.003 0.000 2.044 207 K HA -0.121 4.203 4.320 0.006 0.000 0.210 207 K C 2.385 179.008 176.600 0.039 0.000 1.049 207 K CA 1.776 58.069 56.287 0.011 0.000 0.927 207 K CB -0.602 31.887 32.500 -0.018 0.000 0.713 207 K HN 0.358 nan 8.250 nan 0.000 0.443 208 T N 1.496 116.068 114.554 0.031 0.000 2.788 208 T HA -0.104 4.250 4.350 0.006 0.000 0.268 208 T C 1.891 176.681 174.700 0.149 0.000 1.044 208 T CA 1.153 63.316 62.100 0.105 0.000 1.139 208 T CB -0.176 68.782 68.868 0.151 0.000 0.867 208 T HN 0.151 nan 8.240 nan 0.000 0.454 209 I N 0.672 121.313 120.570 0.118 0.000 2.202 209 I HA -0.130 4.044 4.170 0.006 0.000 0.242 209 I C 2.526 178.792 176.117 0.248 0.000 1.091 209 I CA 1.259 62.652 61.300 0.154 0.000 1.368 209 I CB -0.396 37.652 38.000 0.081 0.000 1.058 209 I HN 0.201 nan 8.210 nan 0.000 0.410 210 M N 0.420 120.124 119.600 0.173 0.000 2.202 210 M HA -0.206 4.277 4.480 0.006 0.000 0.262 210 M C 2.413 178.806 176.300 0.154 0.000 1.063 210 M CA 1.950 57.346 55.300 0.161 0.000 1.097 210 M CB -0.496 32.162 32.600 0.097 0.000 1.382 210 M HN 0.340 nan 8.290 nan 0.000 0.413 211 A N -0.995 121.918 122.820 0.154 0.000 2.016 211 A HA -0.166 4.158 4.320 0.006 0.000 0.217 211 A C 1.813 179.490 177.584 0.154 0.000 1.162 211 A CA 0.732 52.845 52.037 0.126 0.000 0.662 211 A CB -0.950 18.117 19.000 0.111 0.000 0.812 211 A HN 0.765 nan 8.150 nan 0.000 0.450 212 W N 0.775 122.104 121.300 0.048 0.000 2.381 212 W HA -0.027 4.637 4.660 0.006 0.000 0.301 212 W C 1.999 178.546 176.519 0.047 0.000 1.205 212 W CA 1.786 59.160 57.345 0.048 0.000 1.285 212 W CB 0.015 29.507 29.460 0.053 0.000 1.133 212 W HN 0.275 nan 8.180 nan 0.000 0.521 213 A N 0.226 123.172 122.820 0.209 0.000 2.238 213 A HA 0.024 4.348 4.320 0.006 0.000 0.208 213 A C 0.709 178.249 177.584 -0.073 0.000 1.177 213 A CA 1.109 53.160 52.037 0.022 0.000 0.804 213 A CB -0.942 18.233 19.000 0.291 0.000 0.823 213 A HN 0.418 nan 8.150 nan 0.000 0.482 214 D N -1.562 118.799 120.400 -0.065 0.000 2.708 214 D HA -0.171 4.473 4.640 0.006 0.000 0.236 214 D C -0.066 176.246 176.300 0.020 0.000 1.146 214 D CA 0.923 54.903 54.000 -0.034 0.000 0.662 214 D CB -1.568 39.187 40.800 -0.076 0.000 1.059 214 D HN 0.564 nan 8.370 nan 0.000 0.428 215 M N 0.324 119.945 119.600 0.037 0.000 2.249 215 M HA 0.477 4.960 4.480 0.006 0.000 0.351 215 M C 0.894 177.163 176.300 -0.052 0.000 1.180 215 M CA -0.342 54.977 55.300 0.031 0.000 1.127 215 M CB 1.487 34.112 32.600 0.041 0.000 1.546 215 M HN 0.213 nan 8.290 nan 0.000 0.461 216 A N 2.974 125.694 122.820 -0.167 0.000 2.388 216 A HA 0.257 4.581 4.320 0.006 0.000 0.257 216 A C -0.422 176.992 177.584 -0.283 0.000 1.095 216 A CA -0.300 51.486 52.037 -0.420 0.000 0.791 216 A CB 0.421 18.684 19.000 -1.228 0.000 1.029 216 A HN 0.815 nan 8.150 nan 0.000 0.489 217 Q N 2.129 121.803 119.800 -0.211 0.000 2.316 217 Q HA 0.617 4.960 4.340 0.006 0.000 0.264 217 Q C -1.431 174.462 176.000 -0.179 0.000 0.987 217 Q CA -0.466 55.247 55.803 -0.150 0.000 0.852 217 Q CB 0.998 29.695 28.738 -0.069 0.000 1.287 217 Q HN 0.719 nan 8.270 nan 0.000 0.448 218 I N 3.564 123.994 120.570 -0.233 0.000 2.412 218 I HA 0.227 4.401 4.170 0.006 0.000 0.296 218 I C -0.027 175.939 176.117 -0.252 0.000 0.987 218 I CA -0.955 60.142 61.300 -0.338 0.000 1.180 218 I CB 1.532 39.114 38.000 -0.696 0.000 1.340 218 I HN 0.762 nan 8.210 nan 0.000 0.455 224 A N 1.259 124.208 122.820 0.216 0.000 2.131 224 A HA -0.066 4.258 4.320 0.006 0.000 0.220 224 A C 1.974 179.641 177.584 0.138 0.000 1.158 224 A CA 1.922 53.961 52.037 0.004 0.000 0.665 224 A CB -0.757 17.833 19.000 -0.683 0.000 0.795 224 A HN 0.739 nan 8.150 nan 0.000 0.460 225 H N -0.799 118.298 119.070 0.045 0.000 2.555 225 H HA 0.094 4.654 4.556 0.006 0.000 0.269 225 H C 1.179 176.498 175.328 -0.014 0.000 0.988 225 H CA 0.776 56.851 56.048 0.046 0.000 1.178 225 H CB -0.759 29.045 29.762 0.070 0.000 1.373 225 H HN 0.497 nan 8.280 nan 0.000 0.588 226 N N 0.986 119.482 118.700 -0.341 0.000 2.331 226 N HA -0.017 4.727 4.740 0.006 0.000 0.180 226 N C 1.924 177.251 175.510 -0.303 0.000 1.019 226 N CA 0.972 53.721 53.050 -0.503 0.000 0.881 226 N CB 0.088 38.049 38.487 -0.877 0.000 0.972 226 N HN 0.489 nan 8.380 nan 0.000 0.435 227 A N 1.815 124.611 122.820 -0.040 0.000 1.902 227 A HA -0.168 4.156 4.320 0.006 0.000 0.217 227 A C 2.017 179.611 177.584 0.016 0.000 1.181 227 A CA 1.432 53.518 52.037 0.082 0.000 0.623 227 A CB -0.647 18.429 19.000 0.127 0.000 0.818 227 A HN 0.264 nan 8.150 nan 0.000 0.443 228 N N 0.621 119.321 118.700 -0.000 0.000 2.021 228 N HA -0.180 4.564 4.740 0.006 0.000 0.198 228 N C 1.897 177.360 175.510 -0.080 0.000 1.041 228 N CA 2.136 55.175 53.050 -0.018 0.000 0.862 228 N CB -0.469 38.029 38.487 0.018 0.000 1.048 228 N HN 0.478 nan 8.380 nan 0.000 0.427 229 A N -0.146 122.605 122.820 -0.116 0.000 1.917 229 A HA -0.196 4.128 4.320 0.006 0.000 0.219 229 A C 2.158 179.674 177.584 -0.113 0.000 1.182 229 A CA 2.446 54.397 52.037 -0.143 0.000 0.633 229 A CB -1.255 17.634 19.000 -0.184 0.000 0.819 229 A HN 0.559 nan 8.150 nan 0.000 0.448 230 T N -3.038 111.466 114.554 -0.084 0.000 3.086 230 T HA 0.588 4.942 4.350 0.006 0.000 0.250 230 T C 0.650 175.353 174.700 0.005 0.000 1.074 230 T CA 0.412 62.501 62.100 -0.018 0.000 0.988 230 T CB -0.353 68.555 68.868 0.066 0.000 0.988 230 T HN 0.649 nan 8.240 nan 0.000 0.530 231 A N 1.726 124.534 122.820 -0.019 0.000 2.407 231 A HA 0.508 4.832 4.320 0.006 0.000 0.248 231 A C 1.541 179.091 177.584 -0.058 0.000 1.082 231 A CA -0.686 51.331 52.037 -0.034 0.000 0.785 231 A CB 0.486 19.454 19.000 -0.053 0.000 1.020 231 A HN 0.212 nan 8.150 nan 0.000 0.489 232 R N 0.631 121.085 120.500 -0.077 0.000 2.062 232 R HA -0.044 4.300 4.340 0.006 0.000 0.231 232 R C -0.338 175.874 176.300 -0.147 0.000 1.136 232 R CA 1.328 57.376 56.100 -0.087 0.000 0.948 232 R CB -0.351 29.895 30.300 -0.090 0.000 0.845 232 R HN 0.835 nan 8.270 nan 0.000 0.430 233 E N -0.563 119.433 120.200 -0.339 0.000 2.186 233 E HA 0.321 4.674 4.350 0.006 0.000 0.255 233 E C -0.045 176.247 176.600 -0.512 0.000 0.881 233 E CA -0.066 55.904 56.400 -0.716 0.000 0.752 233 E CB 1.808 30.461 29.700 -1.744 0.000 1.176 233 E HN 0.137 nan 8.360 nan 0.000 0.421 234 A N 3.132 125.923 122.820 -0.050 0.000 2.084 234 A HA -0.175 4.148 4.320 0.006 0.000 0.221 234 A C 1.458 179.085 177.584 0.072 0.000 1.161 234 A CA 1.434 53.511 52.037 0.067 0.000 0.653 234 A CB -0.714 18.420 19.000 0.223 0.000 0.802 234 A HN 0.907 nan 8.150 nan 0.000 0.457 235 W N -0.944 120.381 121.300 0.041 0.000 2.905 235 W HA 0.264 4.928 4.660 0.006 0.000 0.251 235 W C 1.167 177.590 176.519 -0.160 0.000 1.305 235 W CA 0.722 58.035 57.345 -0.052 0.000 1.465 235 W CB 0.078 29.500 29.460 -0.063 0.000 1.122 235 W HN 0.085 nan 8.180 nan 0.000 0.659 236 K N 0.529 120.689 120.400 -0.400 0.000 2.367 236 K HA 0.077 4.401 4.320 0.006 0.000 0.194 236 K C 1.669 178.303 176.600 0.057 0.000 1.027 236 K CA 0.191 56.317 56.287 -0.268 0.000 1.075 236 K CB 0.499 32.806 32.500 -0.322 0.000 0.845 236 K HN 0.137 nan 8.250 nan 0.000 0.529 237 V N 1.275 121.183 119.914 -0.010 0.000 3.129 237 V HA -0.119 4.004 4.120 0.006 0.000 0.259 237 V C 1.625 177.743 176.094 0.040 0.000 1.116 237 V CA 0.951 63.272 62.300 0.035 0.000 1.127 237 V CB -0.248 31.574 31.823 -0.002 0.000 0.742 237 V HN 0.301 nan 8.190 nan 0.000 0.474 238 M N 0.687 120.282 119.600 -0.008 0.000 2.082 238 M HA -0.135 4.348 4.480 0.006 0.000 0.258 238 M C -0.034 176.278 176.300 0.020 0.000 1.069 238 M CA 2.393 57.587 55.300 -0.178 0.000 1.102 238 M CB -2.091 30.324 32.600 -0.308 0.000 1.336 238 M HN 0.242 nan 8.290 nan 0.000 0.404 239 P HA -0.223 nan 4.420 nan 0.000 0.216 239 P C 1.294 178.577 177.300 -0.029 0.000 1.157 239 P CA 1.522 64.711 63.100 0.148 0.000 0.880 239 P CB -0.168 31.689 31.700 0.261 0.000 0.791 240 E N -0.501 119.663 120.200 -0.060 0.000 2.077 240 E HA -0.167 4.187 4.350 0.006 0.000 0.193 240 E C 2.001 178.528 176.600 -0.122 0.000 0.989 240 E CA 0.806 57.039 56.400 -0.279 0.000 0.800 240 E CB -0.543 29.121 29.700 -0.060 0.000 0.746 240 E HN 0.114 nan 8.360 nan 0.000 0.452 241 L N 0.186 121.397 121.223 -0.021 0.000 1.997 241 L HA -0.303 4.041 4.340 0.006 0.000 0.216 241 L C 2.792 179.711 176.870 0.081 0.000 1.074 241 L CA 1.676 56.523 54.840 0.011 0.000 0.763 241 L CB -0.504 41.609 42.059 0.089 0.000 0.890 241 L HN 0.339 nan 8.230 nan 0.000 0.434 242 M N -1.218 118.513 119.600 0.217 0.000 2.086 242 M HA -0.194 4.289 4.480 0.006 0.000 0.261 242 M C 2.323 178.759 176.300 0.228 0.000 1.067 242 M CA 1.432 56.930 55.300 0.331 0.000 1.116 242 M CB -0.531 32.282 32.600 0.355 0.000 1.348 242 M HN 0.095 nan 8.290 nan 0.000 0.407 243 V N 0.531 120.445 119.914 0.000 0.000 2.287 243 V HA -0.300 3.824 4.120 0.006 0.000 0.248 243 V C 2.315 178.450 176.094 0.068 0.000 1.053 243 V CA 1.910 64.179 62.300 -0.052 0.000 1.027 243 V CB -0.831 30.746 31.823 -0.410 0.000 0.646 243 V HN 0.535 nan 8.190 nan 0.000 0.447 244 Q N -1.457 118.365 119.800 0.036 0.000 2.167 244 Q HA -0.188 4.156 4.340 0.006 0.000 0.202 244 Q C 2.290 178.294 176.000 0.007 0.000 0.970 244 Q CA 1.321 57.146 55.803 0.037 0.000 0.855 244 Q CB -0.182 28.553 28.738 -0.004 0.000 0.911 244 Q HN 0.712 nan 8.270 nan 0.000 0.438 245 H N 0.216 119.326 119.070 0.067 0.000 2.276 245 H HA -0.056 4.504 4.556 0.006 0.000 0.301 245 H C 2.100 177.512 175.328 0.139 0.000 1.073 245 H CA 1.496 57.525 56.048 -0.032 0.000 1.311 245 H CB -0.442 29.126 29.762 -0.324 0.000 1.379 245 H HN 0.301 nan 8.280 nan 0.000 0.494 246 A N 1.544 124.674 122.820 0.516 0.000 1.849 246 A HA -0.178 4.146 4.320 0.006 0.000 0.217 246 A C 2.807 180.493 177.584 0.171 0.000 1.202 246 A CA 1.803 54.060 52.037 0.368 0.000 0.629 246 A CB -1.178 17.944 19.000 0.204 0.000 0.834 246 A HN 0.322 nan 8.150 nan 0.000 0.447 247 L N -0.661 120.636 121.223 0.125 0.000 2.021 247 L HA -0.289 4.054 4.340 0.006 0.000 0.215 247 L C 2.566 179.482 176.870 0.076 0.000 1.074 247 L CA 2.109 56.985 54.840 0.060 0.000 0.760 247 L CB -0.781 41.278 42.059 -0.000 0.000 0.889 247 L HN 0.608 nan 8.230 nan 0.000 0.433 248 N N -0.567 118.174 118.700 0.070 0.000 2.270 248 N HA -0.122 4.621 4.740 0.006 0.000 0.181 248 N C 1.821 177.403 175.510 0.120 0.000 1.016 248 N CA 1.321 54.420 53.050 0.081 0.000 0.870 248 N CB 0.134 38.648 38.487 0.047 0.000 0.979 248 N HN 0.165 nan 8.380 nan 0.000 0.431 249 S N 0.229 115.964 115.700 0.059 0.000 2.335 249 S HA -0.062 4.411 4.470 0.006 0.000 0.216 249 S C 1.766 176.409 174.600 0.072 0.000 1.032 249 S CA 0.731 58.897 58.200 -0.057 0.000 1.000 249 S CB -0.426 62.560 63.200 -0.357 0.000 0.928 249 S HN 0.289 nan 8.310 nan 0.000 0.434 250 I N 1.457 122.090 120.570 0.105 0.000 2.208 250 I HA -0.128 4.045 4.170 0.006 0.000 0.245 250 I C 1.881 178.094 176.117 0.160 0.000 1.097 250 I CA 0.793 62.182 61.300 0.147 0.000 1.363 250 I CB -0.780 37.289 38.000 0.115 0.000 1.051 250 I HN 0.228 nan 8.210 nan 0.000 0.413 251 F N 0.935 120.902 119.950 0.030 0.000 2.065 251 F HA -0.305 4.226 4.527 0.006 0.000 0.298 251 F C 2.731 178.549 175.800 0.031 0.000 1.112 251 F CA 2.256 60.271 58.000 0.024 0.000 1.212 251 F CB -0.747 38.271 39.000 0.030 0.000 0.975 251 F HN 0.050 nan 8.300 nan 0.000 0.476 252 S N 0.489 116.269 115.700 0.134 0.000 2.400 252 S HA -0.206 4.268 4.470 0.006 0.000 0.232 252 S C 1.839 176.447 174.600 0.014 0.000 1.025 252 S CA 1.407 59.630 58.200 0.038 0.000 0.993 252 S CB -0.678 62.585 63.200 0.106 0.000 0.808 252 S HN 0.408 nan 8.310 nan 0.000 0.478 253 L N 1.910 123.177 121.223 0.073 0.000 2.023 253 L HA 0.048 4.392 4.340 0.006 0.000 0.205 253 L C 1.978 178.870 176.870 0.036 0.000 1.073 253 L CA 1.756 56.652 54.840 0.094 0.000 0.745 253 L CB -0.458 41.700 42.059 0.165 0.000 0.900 253 L HN 0.018 nan 8.230 nan 0.000 0.435 254 K N -0.768 119.635 120.400 0.005 0.000 2.280 254 K HA -0.062 4.262 4.320 0.006 0.000 0.202 254 K C 1.933 178.521 176.600 -0.020 0.000 1.047 254 K CA 1.279 57.560 56.287 -0.010 0.000 0.942 254 K CB -0.288 32.199 32.500 -0.021 0.000 0.739 254 K HN 0.296 nan 8.250 nan 0.000 0.457 255 V N -0.204 119.649 119.914 -0.102 0.000 2.719 255 V HA -0.047 4.077 4.120 0.006 0.000 0.252 255 V C 1.643 177.782 176.094 0.075 0.000 1.065 255 V CA 1.740 64.011 62.300 -0.049 0.000 1.086 255 V CB 0.159 31.780 31.823 -0.337 0.000 0.700 255 V HN 0.639 nan 8.190 nan 0.000 0.467 256 G N -1.849 106.975 108.800 0.040 0.000 2.672 256 G HA2 -0.131 3.832 3.960 0.006 0.000 0.197 256 G HA3 -0.131 3.832 3.960 0.006 0.000 0.197 256 G C 0.198 175.133 174.900 0.060 0.000 0.995 256 G CA -0.321 44.817 45.100 0.064 0.000 0.754 256 G HN 0.228 nan 8.290 nan 0.000 0.505 257 M N 1.545 121.176 119.600 0.053 0.000 2.252 257 M HA 0.202 4.686 4.480 0.006 0.000 0.333 257 M C 0.580 176.919 176.300 0.065 0.000 1.111 257 M CA 0.656 55.993 55.300 0.061 0.000 1.140 257 M CB 0.404 33.042 32.600 0.064 0.000 1.538 257 M HN 0.059 nan 8.290 nan 0.000 0.448 258 K N 2.404 122.839 120.400 0.058 0.000 2.270 258 K HA 0.108 4.431 4.320 0.006 0.000 0.276 258 K C 0.765 177.403 176.600 0.063 0.000 1.023 258 K CA -0.289 56.027 56.287 0.049 0.000 0.955 258 K CB 1.006 33.533 32.500 0.045 0.000 0.975 258 K HN 0.549 nan 8.250 nan 0.000 0.471 259 K N 0.927 121.337 120.400 0.017 0.000 2.044 259 K HA -0.190 4.134 4.320 0.006 0.000 0.210 259 K C 1.940 178.558 176.600 0.031 0.000 1.049 259 K CA 2.262 58.531 56.287 -0.029 0.000 0.927 259 K CB -0.174 32.152 32.500 -0.291 0.000 0.713 259 K HN 0.694 nan 8.250 nan 0.000 0.443 260 S N 0.590 116.296 115.700 0.009 0.000 2.595 260 S HA -0.026 4.448 4.470 0.006 0.000 0.235 260 S C 1.176 175.867 174.600 0.151 0.000 0.974 260 S CA 0.748 58.973 58.200 0.041 0.000 0.942 260 S CB -0.062 63.156 63.200 0.030 0.000 0.766 260 S HN 0.197 nan 8.310 nan 0.000 0.536 261 N N 0.529 119.294 118.700 0.109 0.000 2.250 261 N HA 0.356 5.099 4.740 0.006 0.000 0.190 261 N C -0.364 175.151 175.510 0.009 0.000 1.116 261 N CA 0.051 53.134 53.050 0.055 0.000 0.881 261 N CB 0.360 38.863 38.487 0.028 0.000 1.006 261 N HN 0.459 nan 8.380 nan 0.000 0.491 262 I N 1.441 122.065 120.570 0.091 0.000 2.301 262 I HA 0.147 4.320 4.170 0.006 0.000 0.292 262 I C -0.331 175.823 176.117 0.062 0.000 1.046 262 I CA -0.281 61.077 61.300 0.095 0.000 1.282 262 I CB 0.625 38.760 38.000 0.225 0.000 1.409 262 I HN -0.117 nan 8.210 nan 0.000 0.484 263 C N 7.373 126.644 119.300 -0.047 0.000 2.298 263 C HA 0.455 4.919 4.460 0.006 0.000 0.323 263 C C 0.136 175.038 174.990 -0.147 0.000 1.284 263 C CA -0.829 58.133 59.018 -0.093 0.000 1.577 263 C CB 0.335 27.989 27.740 -0.144 0.000 2.249 263 C HN 0.467 nan 8.230 nan 0.000 0.497 264 L N 3.240 124.331 121.223 -0.220 0.000 2.361 264 L HA 0.210 4.554 4.340 0.006 0.000 0.278 264 L C 0.981 177.702 176.870 -0.248 0.000 1.113 264 L CA 0.756 55.376 54.840 -0.366 0.000 0.849 264 L CB 0.577 42.149 42.059 -0.812 0.000 1.155 264 L HN 0.738 nan 8.230 nan 0.000 0.452 265 S N 2.383 118.039 115.700 -0.073 0.000 2.498 265 S HA 0.184 4.657 4.470 0.006 0.000 0.314 265 S C 0.156 174.771 174.600 0.025 0.000 1.141 265 S CA -0.376 57.755 58.200 -0.115 0.000 1.087 265 S CB -0.302 62.716 63.200 -0.303 0.000 1.178 265 S HN 0.656 nan 8.310 nan 0.000 0.533 266 T N 5.445 119.976 114.554 -0.038 0.000 2.809 266 T HA 0.526 4.880 4.350 0.006 0.000 0.296 266 T C -0.833 173.913 174.700 0.078 0.000 1.015 266 T CA -0.520 61.611 62.100 0.051 0.000 0.954 266 T CB 0.478 69.295 68.868 -0.086 0.000 0.950 266 T HN 0.351 nan 8.240 nan 0.000 0.450 267 V N 8.754 128.765 119.914 0.163 0.000 2.398 267 V HA 0.437 4.560 4.120 0.006 0.000 0.286 267 V C -2.118 174.100 176.094 0.207 0.000 1.026 267 V CA -2.128 60.264 62.300 0.154 0.000 0.868 267 V CB 1.475 33.394 31.823 0.159 0.000 0.982 267 V HN 0.757 nan 8.190 nan 0.000 0.443 268 P HA 0.163 nan 4.420 nan 0.000 0.264 268 P C -2.225 175.207 177.300 0.219 0.000 1.193 268 P CA -0.953 62.276 63.100 0.215 0.000 0.763 268 P CB 0.274 32.074 31.700 0.167 0.000 0.810 269 P HA -0.027 nan 4.420 nan 0.000 0.227 269 P C 0.333 177.840 177.300 0.346 0.000 1.161 269 P CA 1.104 64.345 63.100 0.235 0.000 0.788 269 P CB 0.201 32.010 31.700 0.181 0.000 0.822 270 T N -3.728 111.012 114.554 0.310 0.000 2.858 270 T HA 0.833 5.187 4.350 0.006 0.000 0.285 270 T C -0.803 174.028 174.700 0.219 0.000 1.052 270 T CA -0.963 61.329 62.100 0.321 0.000 1.009 270 T CB 2.083 71.026 68.868 0.124 0.000 1.241 270 T HN -0.016 nan 8.240 nan 0.000 0.542 271 A N 0.447 123.336 122.820 0.114 0.000 2.594 271 A HA 0.870 5.193 4.320 0.006 0.000 0.291 271 A C -3.158 174.406 177.584 -0.033 0.000 1.105 271 A CA -1.977 50.105 52.037 0.075 0.000 0.694 271 A CB 0.703 19.796 19.000 0.155 0.000 1.291 271 A HN 0.667 nan 8.150 nan 0.000 0.410 272 P HA 0.174 nan 4.420 nan 0.000 0.267 272 P C -1.817 175.441 177.300 -0.070 0.000 1.200 272 P CA -0.585 62.482 63.100 -0.055 0.000 0.772 272 P CB 0.157 31.838 31.700 -0.032 0.000 0.855 273 P HA 0.061 nan 4.420 nan 0.000 0.245 273 P C 0.109 177.325 177.300 -0.141 0.000 1.212 273 P CA 0.295 63.335 63.100 -0.099 0.000 0.774 273 P CB 0.045 31.690 31.700 -0.091 0.000 0.999 274 A N 2.470 125.177 122.820 -0.189 0.000 2.483 274 A HA 0.321 4.645 4.320 0.006 0.000 0.238 274 A C -1.993 175.496 177.584 -0.159 0.000 1.070 274 A CA -1.030 50.862 52.037 -0.243 0.000 0.770 274 A CB -0.728 18.071 19.000 -0.335 0.000 1.008 274 A HN 0.026 nan 8.150 nan 0.000 0.497 275 P HA 0.104 nan 4.420 nan 0.000 0.244 275 P C 0.677 177.962 177.300 -0.025 0.000 1.769 275 P CA 0.151 63.196 63.100 -0.091 0.000 1.102 275 P CB -0.066 31.559 31.700 -0.126 0.000 1.937 276 S N 1.613 117.306 115.700 -0.012 0.000 2.402 276 S HA -0.128 4.346 4.470 0.006 0.000 0.229 276 S C 1.748 176.394 174.600 0.076 0.000 1.021 276 S CA 0.754 58.971 58.200 0.028 0.000 0.974 276 S CB -0.685 62.539 63.200 0.039 0.000 0.800 276 S HN 0.098 nan 8.310 nan 0.000 0.484 277 M N 0.186 119.836 119.600 0.084 0.000 2.200 277 M HA 0.080 4.564 4.480 0.006 0.000 0.265 277 M C 2.068 178.444 176.300 0.128 0.000 1.066 277 M CA 1.293 56.651 55.300 0.097 0.000 1.127 277 M CB -1.253 31.398 32.600 0.085 0.000 1.379 277 M HN 0.429 nan 8.290 nan 0.000 0.420 278 Y N 0.942 121.245 120.300 0.005 0.000 2.263 278 Y HA -0.106 4.447 4.550 0.006 0.000 0.292 278 Y C 2.128 178.039 175.900 0.018 0.000 1.130 278 Y CA 1.375 59.478 58.100 0.006 0.000 1.179 278 Y CB -0.100 38.349 38.460 -0.017 0.000 0.998 278 Y HN 0.075 nan 8.280 nan 0.000 0.532 279 L N -0.688 120.633 121.223 0.164 0.000 2.179 279 L HA -0.118 4.226 4.340 0.006 0.000 0.208 279 L C 1.279 178.221 176.870 0.119 0.000 1.096 279 L CA 1.100 56.003 54.840 0.105 0.000 0.779 279 L CB -0.187 41.897 42.059 0.041 0.000 0.922 279 L HN 0.127 nan 8.230 nan 0.000 0.443 280 D N -1.073 119.405 120.400 0.129 0.000 2.388 280 D HA -0.014 4.629 4.640 0.006 0.000 0.208 280 D C 1.973 178.367 176.300 0.157 0.000 1.035 280 D CA 0.128 54.238 54.000 0.184 0.000 0.875 280 D CB 0.243 41.152 40.800 0.183 0.000 0.984 280 D HN 0.026 nan 8.370 nan 0.000 0.508 281 L N 1.654 122.928 121.223 0.085 0.000 1.989 281 L HA -0.084 4.260 4.340 0.006 0.000 0.211 281 L C -0.901 175.990 176.870 0.035 0.000 1.071 281 L CA 2.199 57.064 54.840 0.042 0.000 0.749 281 L CB -1.288 40.775 42.059 0.007 0.000 0.890 281 L HN -0.043 nan 8.230 nan 0.000 0.431 282 P HA -0.211 nan 4.420 nan 0.000 0.218 282 P C 1.223 178.593 177.300 0.117 0.000 1.148 282 P CA 1.345 64.471 63.100 0.043 0.000 0.822 282 P CB -0.231 31.484 31.700 0.026 0.000 0.784 283 Y N 0.996 121.331 120.300 0.058 0.000 2.163 283 Y HA -0.079 4.474 4.550 0.006 0.000 0.288 283 Y C 2.372 178.314 175.900 0.070 0.000 1.136 283 Y CA 1.319 59.471 58.100 0.087 0.000 1.147 283 Y CB -1.165 37.362 38.460 0.113 0.000 0.987 283 Y HN -0.116 nan 8.280 nan 0.000 0.509 284 A N -0.318 122.421 122.820 -0.134 0.000 1.917 284 A HA -0.211 4.112 4.320 0.006 0.000 0.219 284 A C 2.379 179.870 177.584 -0.155 0.000 1.182 284 A CA 2.418 54.337 52.037 -0.198 0.000 0.633 284 A CB -1.405 17.561 19.000 -0.057 0.000 0.819 284 A HN 0.369 nan 8.150 nan 0.000 0.448 285 V N -0.624 119.247 119.914 -0.072 0.000 2.323 285 V HA -0.159 3.965 4.120 0.006 0.000 0.244 285 V C 3.039 179.117 176.094 -0.027 0.000 1.041 285 V CA 1.827 64.104 62.300 -0.038 0.000 1.025 285 V CB -1.078 30.738 31.823 -0.012 0.000 0.656 285 V HN 0.639 nan 8.190 nan 0.000 0.451 286 A N -0.176 122.637 122.820 -0.010 0.000 1.858 286 A HA -0.203 4.121 4.320 0.006 0.000 0.216 286 A C 2.170 179.784 177.584 0.050 0.000 1.190 286 A CA 2.091 54.154 52.037 0.044 0.000 0.617 286 A CB -0.699 18.370 19.000 0.115 0.000 0.827 286 A HN 0.438 nan 8.150 nan 0.000 0.443 287 L N -0.247 120.940 121.223 -0.060 0.000 2.013 287 L HA -0.222 4.121 4.340 0.006 0.000 0.212 287 L C 2.527 179.468 176.870 0.118 0.000 1.073 287 L CA 2.314 57.147 54.840 -0.012 0.000 0.753 287 L CB -0.401 41.403 42.059 -0.426 0.000 0.890 287 L HN 0.361 nan 8.230 nan 0.000 0.432 288 R N -0.748 119.745 120.500 -0.012 0.000 2.115 288 R HA -0.105 4.238 4.340 0.006 0.000 0.230 288 R C 2.156 178.500 176.300 0.073 0.000 1.111 288 R CA 1.435 57.552 56.100 0.028 0.000 0.976 288 R CB -0.205 30.075 30.300 -0.033 0.000 0.870 288 R HN 0.548 nan 8.270 nan 0.000 0.445 289 E N -0.008 120.226 120.200 0.057 0.000 2.072 289 E HA -0.197 4.157 4.350 0.006 0.000 0.190 289 E C 1.779 178.413 176.600 0.057 0.000 0.982 289 E CA 1.068 57.495 56.400 0.045 0.000 0.803 289 E CB -0.050 29.668 29.700 0.030 0.000 0.755 289 E HN 0.110 nan 8.360 nan 0.000 0.453 290 M N -0.301 119.357 119.600 0.097 0.000 2.296 290 M HA -0.064 4.419 4.480 0.006 0.000 0.265 290 M C 0.531 176.753 176.300 -0.129 0.000 1.064 290 M CA 1.486 56.794 55.300 0.013 0.000 1.109 290 M CB 0.179 32.842 32.600 0.105 0.000 1.396 290 M HN -0.030 nan 8.290 nan 0.000 0.430 291 F N -0.088 119.895 119.950 0.054 0.000 2.791 291 F HA 0.317 4.847 4.527 0.006 0.000 0.308 291 F C 0.215 176.103 175.800 0.147 0.000 1.138 291 F CA -0.776 57.313 58.000 0.148 0.000 1.294 291 F CB -0.209 38.839 39.000 0.080 0.000 0.975 291 F HN -0.063 nan 8.300 nan 0.000 0.512 292 E N 0.381 120.668 120.200 0.144 0.000 2.608 292 E HA 0.210 4.564 4.350 0.006 0.000 0.259 292 E C 1.234 177.812 176.600 -0.037 0.000 0.951 292 E CA 1.536 57.961 56.400 0.042 0.000 0.945 292 E CB 0.263 29.958 29.700 -0.009 0.000 0.916 292 E HN 0.589 nan 8.360 nan 0.000 0.477 293 G N 2.422 111.166 108.800 -0.093 0.000 2.313 293 G HA2 -0.267 3.697 3.960 0.006 0.000 0.215 293 G HA3 -0.267 3.697 3.960 0.006 0.000 0.215 293 G C -0.417 174.317 174.900 -0.275 0.000 1.023 293 G CA -0.281 44.675 45.100 -0.240 0.000 0.626 293 G HN 0.457 nan 8.290 nan 0.000 0.503 294 Y N 1.996 122.308 120.300 0.020 0.000 2.316 294 Y HA 0.734 5.288 4.550 0.006 0.000 0.324 294 Y C 1.270 177.138 175.900 -0.055 0.000 1.267 294 Y CA -0.775 57.333 58.100 0.013 0.000 1.311 294 Y CB 0.541 39.058 38.460 0.096 0.000 1.267 294 Y HN 0.022 nan 8.280 nan 0.000 0.516 295 R N 1.750 122.315 120.500 0.109 0.000 2.539 295 R HA 0.272 4.616 4.340 0.006 0.000 0.275 295 R C -0.747 175.520 176.300 -0.055 0.000 1.077 295 R CA -0.315 55.771 56.100 -0.023 0.000 1.097 295 R CB 0.459 30.752 30.300 -0.011 0.000 1.018 295 R HN 0.558 nan 8.270 nan 0.000 0.483 296 M N 2.683 122.231 119.600 -0.088 0.000 2.101 296 M HA 0.261 4.744 4.480 0.006 0.000 0.340 296 M C 0.299 176.551 176.300 -0.081 0.000 1.057 296 M CA -0.461 54.769 55.300 -0.116 0.000 0.984 296 M CB 1.013 33.546 32.600 -0.111 0.000 1.560 296 M HN 0.207 nan 8.290 nan 0.000 0.435 297 R N 2.823 123.262 120.500 -0.102 0.000 2.280 297 R HA 0.589 4.932 4.340 0.006 0.000 0.326 297 R C -0.924 175.335 176.300 -0.070 0.000 1.080 297 R CA -0.090 55.969 56.100 -0.068 0.000 1.002 297 R CB 0.406 30.640 30.300 -0.110 0.000 1.136 297 R HN 0.796 nan 8.270 nan 0.000 0.509 298 A N 3.985 126.787 122.820 -0.031 0.000 2.409 298 A HA 0.170 4.494 4.320 0.006 0.000 0.267 298 A C -0.214 177.360 177.584 -0.016 0.000 1.127 298 A CA -0.238 51.788 52.037 -0.019 0.000 0.795 298 A CB 0.754 19.754 19.000 -0.001 0.000 1.061 298 A HN 0.741 nan 8.150 nan 0.000 0.502 299 Q N 2.038 121.828 119.800 -0.016 0.000 2.416 299 Q HA 0.761 5.104 4.340 0.006 0.000 0.279 299 Q C -0.565 175.437 176.000 0.003 0.000 1.101 299 Q CA -0.365 55.426 55.803 -0.020 0.000 0.830 299 Q CB 1.326 30.040 28.738 -0.039 0.000 1.402 299 Q HN 0.749 nan 8.270 nan 0.000 0.445 300 M N 1.043 120.621 119.600 -0.037 0.000 2.679 300 M HA 0.428 4.911 4.480 0.006 0.000 0.287 300 M C -0.071 176.259 176.300 0.050 0.000 1.202 300 M CA -0.975 54.301 55.300 -0.040 0.000 0.911 300 M CB 0.827 33.228 32.600 -0.331 0.000 1.556 300 M HN 0.712 nan 8.290 nan 0.000 0.511 301 N N 0.036 118.846 118.700 0.183 0.000 2.513 301 N HA 0.102 4.845 4.740 0.006 0.000 0.268 301 N C 0.203 175.823 175.510 0.184 0.000 1.180 301 N CA 0.348 53.517 53.050 0.200 0.000 0.948 301 N CB 0.740 39.371 38.487 0.241 0.000 1.083 301 N HN 0.696 nan 8.380 nan 0.000 0.455 302 T N -0.107 114.493 114.554 0.076 0.000 2.954 302 T HA 0.145 4.499 4.350 0.006 0.000 0.252 302 T C 1.454 176.127 174.700 -0.045 0.000 0.983 302 T CA -0.192 61.928 62.100 0.033 0.000 0.941 302 T CB -0.174 68.697 68.868 0.004 0.000 1.141 302 T HN 0.429 nan 8.240 nan 0.000 0.500 303 K N 0.449 120.765 120.400 -0.139 0.000 2.001 303 K HA -0.007 4.317 4.320 0.006 0.000 0.208 303 K C -0.115 176.273 176.600 -0.353 0.000 1.048 303 K CA 1.064 57.141 56.287 -0.350 0.000 0.932 303 K CB -0.044 32.078 32.500 -0.630 0.000 0.715 303 K HN 0.385 nan 8.250 nan 0.000 0.437 304 Y N 0.774 121.107 120.300 0.055 0.000 2.827 304 Y HA 0.301 4.855 4.550 0.006 0.000 0.373 304 Y C -0.057 175.853 175.900 0.017 0.000 1.198 304 Y CA -0.253 57.874 58.100 0.045 0.000 1.589 304 Y CB 0.058 38.557 38.460 0.065 0.000 1.682 304 Y HN 0.078 nan 8.280 nan 0.000 0.506 305 M N 0.267 119.924 119.600 0.094 0.000 2.530 305 M HA 0.482 4.965 4.480 0.006 0.000 0.307 305 M C -0.903 175.401 176.300 0.007 0.000 1.161 305 M CA -0.244 55.073 55.300 0.029 0.000 0.903 305 M CB 2.320 34.924 32.600 0.007 0.000 1.711 305 M HN 0.204 nan 8.290 nan 0.000 0.451 306 E N 1.295 121.481 120.200 -0.023 0.000 2.549 306 E HA 0.611 4.964 4.350 0.006 0.000 0.200 306 E C -0.505 176.051 176.600 -0.072 0.000 0.732 306 E CA -0.095 56.284 56.400 -0.035 0.000 0.987 306 E CB 1.889 31.576 29.700 -0.021 0.000 1.810 306 E HN 0.792 nan 8.360 nan 0.000 0.377 307 A N 0.374 123.148 122.820 -0.077 0.000 2.345 307 A HA 0.099 4.423 4.320 0.006 0.000 0.225 307 A C 0.634 178.145 177.584 -0.121 0.000 1.243 307 A CA 0.201 52.171 52.037 -0.112 0.000 0.875 307 A CB 0.050 18.990 19.000 -0.100 0.000 0.929 307 A HN 0.139 nan 8.150 nan 0.000 0.502 308 S N 0.182 115.825 115.700 -0.095 0.000 2.475 308 S HA 0.300 4.774 4.470 0.006 0.000 0.281 308 S C 1.452 175.987 174.600 -0.108 0.000 1.198 308 S CA 0.266 58.414 58.200 -0.086 0.000 1.063 308 S CB 0.776 63.944 63.200 -0.053 0.000 0.972 308 S HN 0.579 nan 8.310 nan 0.000 0.486 309 T N 3.113 117.596 114.554 -0.118 0.000 2.985 309 T HA -0.025 4.329 4.350 0.006 0.000 0.266 309 T C 1.788 176.453 174.700 -0.057 0.000 1.076 309 T CA 0.470 62.499 62.100 -0.118 0.000 1.135 309 T CB -0.224 68.564 68.868 -0.132 0.000 0.890 309 T HN 0.652 nan 8.240 nan 0.000 0.480 310 R N 1.208 121.688 120.500 -0.034 0.000 2.070 310 R HA -0.122 4.222 4.340 0.006 0.000 0.233 310 R C 2.509 178.783 176.300 -0.044 0.000 1.137 310 R CA 1.847 57.936 56.100 -0.018 0.000 0.945 310 R CB -0.467 29.829 30.300 -0.007 0.000 0.845 310 R HN 0.621 nan 8.270 nan 0.000 0.430 311 E N -0.230 119.937 120.200 -0.056 0.000 2.049 311 E HA -0.244 4.110 4.350 0.006 0.000 0.198 311 E C 1.804 178.328 176.600 -0.126 0.000 1.007 311 E CA 1.618 57.976 56.400 -0.070 0.000 0.809 311 E CB -0.154 29.511 29.700 -0.059 0.000 0.749 311 E HN 0.500 nan 8.360 nan 0.000 0.450 312 A N 0.130 122.844 122.820 -0.177 0.000 1.902 312 A HA -0.181 4.142 4.320 0.006 0.000 0.217 312 A C 2.398 179.673 177.584 -0.515 0.000 1.181 312 A CA 2.094 53.911 52.037 -0.368 0.000 0.623 312 A CB -0.992 17.835 19.000 -0.288 0.000 0.818 312 A HN 0.333 nan 8.150 nan 0.000 0.443 313 T N -0.171 114.262 114.554 -0.202 0.000 2.684 313 T HA -0.150 4.203 4.350 0.006 0.000 0.267 313 T C 1.887 176.565 174.700 -0.036 0.000 1.036 313 T CA 1.789 63.859 62.100 -0.051 0.000 1.148 313 T CB -0.482 68.400 68.868 0.024 0.000 0.863 313 T HN 0.177 nan 8.240 nan 0.000 0.436 314 V N 1.408 121.292 119.914 -0.050 0.000 2.407 314 V HA -0.177 3.947 4.120 0.006 0.000 0.248 314 V C 2.731 178.817 176.094 -0.013 0.000 1.055 314 V CA 2.029 64.319 62.300 -0.017 0.000 1.049 314 V CB -1.135 30.677 31.823 -0.017 0.000 0.662 314 V HN 0.533 nan 8.190 nan 0.000 0.455 315 T N -1.292 113.222 114.554 -0.066 0.000 2.857 315 T HA -0.153 4.201 4.350 0.006 0.000 0.266 315 T C 1.670 176.417 174.700 0.079 0.000 1.048 315 T CA 1.515 63.605 62.100 -0.016 0.000 1.139 315 T CB -0.367 68.479 68.868 -0.037 0.000 0.874 315 T HN 0.654 nan 8.240 nan 0.000 0.455 316 H N -0.019 119.079 119.070 0.046 0.000 2.456 316 H HA 0.007 4.567 4.556 0.006 0.000 0.296 316 H C 2.247 177.604 175.328 0.049 0.000 1.079 316 H CA 0.569 56.646 56.048 0.049 0.000 1.322 316 H CB 0.025 29.815 29.762 0.047 0.000 1.388 316 H HN 0.133 nan 8.280 nan 0.000 0.538 317 V N 0.967 120.973 119.914 0.153 0.000 2.358 317 V HA -0.224 3.900 4.120 0.006 0.000 0.246 317 V C 2.334 178.479 176.094 0.085 0.000 1.047 317 V CA 1.351 63.712 62.300 0.103 0.000 1.035 317 V CB -0.402 31.466 31.823 0.075 0.000 0.658 317 V HN 0.363 nan 8.190 nan 0.000 0.452 318 L N 0.101 121.372 121.223 0.079 0.000 2.042 318 L HA -0.224 4.119 4.340 0.006 0.000 0.210 318 L C 2.283 179.203 176.870 0.083 0.000 1.076 318 L CA 2.014 56.896 54.840 0.071 0.000 0.749 318 L CB -0.941 41.157 42.059 0.064 0.000 0.893 318 L HN 0.450 nan 8.230 nan 0.000 0.432 319 N N 0.143 118.908 118.700 0.109 0.000 2.061 319 N HA -0.216 4.528 4.740 0.006 0.000 0.193 319 N C 1.980 177.538 175.510 0.079 0.000 1.030 319 N CA 1.074 54.189 53.050 0.108 0.000 0.856 319 N CB -0.200 38.371 38.487 0.139 0.000 1.023 319 N HN 0.256 nan 8.380 nan 0.000 0.424 320 L N 0.605 121.876 121.223 0.080 0.000 2.042 320 L HA -0.179 4.164 4.340 0.006 0.000 0.210 320 L C 2.363 179.263 176.870 0.049 0.000 1.076 320 L CA 0.613 55.489 54.840 0.061 0.000 0.749 320 L CB -0.334 41.764 42.059 0.066 0.000 0.893 320 L HN 0.268 nan 8.230 nan 0.000 0.432 321 L N -0.291 120.963 121.223 0.052 0.000 2.046 321 L HA -0.212 4.132 4.340 0.006 0.000 0.208 321 L C 2.380 179.272 176.870 0.037 0.000 1.077 321 L CA 1.731 56.595 54.840 0.041 0.000 0.747 321 L CB -0.551 41.533 42.059 0.042 0.000 0.896 321 L HN 0.074 nan 8.230 nan 0.000 0.432 322 I N -0.492 120.105 120.570 0.045 0.000 2.163 322 I HA -0.288 3.886 4.170 0.006 0.000 0.243 322 I C 2.509 178.640 176.117 0.022 0.000 1.085 322 I CA 1.565 62.888 61.300 0.039 0.000 1.347 322 I CB -1.500 36.533 38.000 0.056 0.000 1.044 322 I HN 0.275 nan 8.210 nan 0.000 0.408 323 S N 0.389 116.103 115.700 0.024 0.000 2.382 323 S HA -0.202 4.272 4.470 0.006 0.000 0.228 323 S C 1.975 176.580 174.600 0.008 0.000 1.027 323 S CA 1.313 59.520 58.200 0.011 0.000 0.991 323 S CB -0.133 63.078 63.200 0.018 0.000 0.823 323 S HN 0.263 nan 8.310 nan 0.000 0.469 324 K N 1.809 122.218 120.400 0.015 0.000 2.057 324 K HA 0.130 4.454 4.320 0.006 0.000 0.206 324 K C 1.608 178.211 176.600 0.005 0.000 1.050 324 K CA 1.086 57.379 56.287 0.011 0.000 0.935 324 K CB -0.636 31.875 32.500 0.017 0.000 0.715 324 K HN 0.324 nan 8.250 nan 0.000 0.439 325 L N 0.517 121.744 121.223 0.007 0.000 2.549 325 L HA -0.058 4.286 4.340 0.006 0.000 0.229 325 L C 1.440 178.306 176.870 -0.006 0.000 1.158 325 L CA 1.085 55.926 54.840 0.002 0.000 0.842 325 L CB -0.688 41.376 42.059 0.007 0.000 0.952 325 L HN 0.426 nan 8.230 nan 0.000 0.452 326 T N -3.109 111.439 114.554 -0.011 0.000 2.232 326 T HA 0.312 4.666 4.350 0.006 0.000 0.164 326 T C 0.061 174.745 174.700 -0.028 0.000 0.764 326 T CA -0.618 61.469 62.100 -0.022 0.000 0.938 326 T CB 0.950 69.799 68.868 -0.032 0.000 2.863 326 T HN 0.085 nan 8.240 nan 0.000 0.384 327 R N 0.254 120.732 120.500 -0.036 0.000 2.604 327 R HA 0.680 5.024 4.340 0.006 0.000 0.270 327 R C -2.342 173.932 176.300 -0.044 0.000 1.052 327 R CA -0.507 55.568 56.100 -0.042 0.000 0.902 327 R CB 1.845 32.113 30.300 -0.054 0.000 1.233 327 R HN 0.923 nan 8.270 nan 0.000 0.455 328 A N 3.454 126.253 122.820 -0.034 0.000 2.569 328 A HA 0.285 4.609 4.320 0.006 0.000 0.282 328 A C -0.453 177.123 177.584 -0.013 0.000 1.165 328 A CA -0.743 51.280 52.037 -0.022 0.000 0.747 328 A CB 1.138 20.139 19.000 0.003 0.000 1.215 328 A HN 0.922 nan 8.150 nan 0.000 0.431 329 D N 1.566 121.942 120.400 -0.040 0.000 2.123 329 D HA 0.009 4.653 4.640 0.006 0.000 0.200 329 D C 0.429 176.835 176.300 0.177 0.000 0.976 329 D CA 1.430 55.393 54.000 -0.062 0.000 0.831 329 D CB 0.377 41.004 40.800 -0.289 0.000 0.974 329 D HN 0.584 nan 8.370 nan 0.000 0.469 330 I N 0.970 121.655 120.570 0.192 0.000 2.404 330 I HA 0.165 4.339 4.170 0.006 0.000 0.293 330 I C -0.312 175.885 176.117 0.132 0.000 0.992 330 I CA -0.711 60.733 61.300 0.241 0.000 1.149 330 I CB 1.994 40.130 38.000 0.226 0.000 1.315 330 I HN -0.259 nan 8.210 nan 0.000 0.446 331 Q N 4.725 124.606 119.800 0.136 0.000 2.394 331 Q HA 0.369 4.712 4.340 0.006 0.000 0.259 331 Q C -0.979 175.075 176.000 0.090 0.000 1.021 331 Q CA -0.214 55.640 55.803 0.085 0.000 0.805 331 Q CB 1.467 30.246 28.738 0.067 0.000 1.226 331 Q HN 0.667 nan 8.270 nan 0.000 0.476 332 S N 1.857 117.588 115.700 0.053 0.000 2.632 332 S HA 0.690 5.163 4.470 0.006 0.000 0.267 332 S C -0.315 174.272 174.600 -0.021 0.000 1.276 332 S CA -0.152 58.059 58.200 0.018 0.000 0.998 332 S CB 0.918 64.105 63.200 -0.023 0.000 0.953 332 S HN 0.768 nan 8.310 nan 0.000 0.547 333 T N -0.715 113.814 114.554 -0.041 0.000 2.909 333 T HA 0.675 5.029 4.350 0.006 0.000 0.299 333 T C -1.047 173.589 174.700 -0.107 0.000 1.073 333 T CA -0.769 61.277 62.100 -0.089 0.000 0.999 333 T CB 0.743 69.591 68.868 -0.033 0.000 1.098 333 T HN 0.268 nan 8.240 nan 0.000 0.477 334 I N 3.310 123.750 120.570 -0.218 0.000 2.433 334 I HA 0.357 4.531 4.170 0.006 0.000 0.292 334 I C 0.996 177.091 176.117 -0.036 0.000 1.001 334 I CA -0.442 60.774 61.300 -0.141 0.000 1.119 334 I CB 1.836 39.720 38.000 -0.193 0.000 1.289 334 I HN 1.053 nan 8.210 nan 0.000 0.438 335 T N 4.490 119.066 114.554 0.036 0.000 2.901 335 T HA 0.220 4.574 4.350 0.006 0.000 0.301 335 T C -1.716 173.037 174.700 0.088 0.000 1.012 335 T CA -1.283 60.868 62.100 0.085 0.000 1.135 335 T CB 0.702 69.616 68.868 0.077 0.000 0.936 335 T HN 0.431 nan 8.240 nan 0.000 0.539 336 P HA -0.008 nan 4.420 nan 0.000 0.239 336 P C 0.583 177.761 177.300 -0.204 0.000 1.184 336 P CA 0.633 63.747 63.100 0.023 0.000 0.760 336 P CB 0.052 31.786 31.700 0.056 0.000 0.884 337 D N -1.610 118.579 120.400 -0.352 0.000 2.389 337 D HA -0.059 4.584 4.640 0.006 0.000 0.206 337 D C 1.541 177.637 176.300 -0.339 0.000 1.055 337 D CA -0.017 53.648 54.000 -0.557 0.000 0.856 337 D CB -0.662 39.500 40.800 -1.062 0.000 0.957 337 D HN -0.095 nan 8.370 nan 0.000 0.509 338 E N 1.197 121.284 120.200 -0.188 0.000 2.276 338 E HA -0.215 4.139 4.350 0.006 0.000 0.226 338 E C 1.703 178.223 176.600 -0.133 0.000 1.090 338 E CA 1.988 58.317 56.400 -0.118 0.000 0.930 338 E CB -0.590 29.086 29.700 -0.039 0.000 0.791 338 E HN 0.537 nan 8.360 nan 0.000 0.467 339 G N -1.017 107.700 108.800 -0.139 0.000 3.141 339 G HA2 -0.017 3.946 3.960 0.006 0.000 0.218 339 G HA3 -0.017 3.946 3.960 0.006 0.000 0.218 339 G C 1.538 176.348 174.900 -0.149 0.000 1.170 339 G CA -0.035 44.994 45.100 -0.119 0.000 0.769 339 G HN 0.093 nan 8.290 nan 0.000 0.546 340 R N -0.225 120.144 120.500 -0.219 0.000 2.225 340 R HA 0.191 4.534 4.340 0.006 0.000 0.194 340 R C 0.441 176.596 176.300 -0.243 0.000 0.949 340 R CA 0.577 56.530 56.100 -0.245 0.000 1.088 340 R CB 0.342 30.427 30.300 -0.358 0.000 1.106 340 R HN 0.531 nan 8.270 nan 0.000 0.566 341 N N -1.897 116.633 118.700 -0.283 0.000 3.355 341 N HA 0.014 4.758 4.740 0.006 0.000 0.238 341 N C -1.134 174.256 175.510 -0.200 0.000 1.466 341 N CA -0.708 52.200 53.050 -0.237 0.000 0.882 341 N CB 1.424 39.728 38.487 -0.304 0.000 1.406 341 N HN -0.277 nan 8.380 nan 0.000 0.500 342 V N 1.214 121.068 119.914 -0.100 0.000 2.485 342 V HA 0.172 4.295 4.120 0.006 0.000 0.287 342 V C -1.906 174.172 176.094 -0.026 0.000 1.022 342 V CA -0.547 61.723 62.300 -0.051 0.000 1.067 342 V CB -0.155 31.649 31.823 -0.031 0.000 0.967 342 V HN 0.576 nan 8.190 nan 0.000 0.479 343 P HA -0.104 nan 4.420 nan 0.000 0.259 343 P C -0.560 176.851 177.300 0.184 0.000 1.155 343 P CA 0.474 63.586 63.100 0.020 0.000 0.759 343 P CB 0.209 31.939 31.700 0.050 0.000 0.753 344 W N 2.816 124.143 121.300 0.044 0.000 2.332 344 W HA 0.173 4.838 4.660 0.009 0.000 0.351 344 W C 1.963 178.460 176.519 -0.036 0.000 1.195 344 W CA -0.405 56.909 57.345 -0.053 0.000 1.334 344 W CB -0.729 28.766 29.460 0.059 0.000 1.206 344 W HN 0.539 nan 8.180 nan 0.000 0.637 345 H N 1.432 120.628 119.070 0.210 0.000 2.289 345 H HA -0.212 4.347 4.556 0.005 0.000 0.294 345 H C 1.920 177.268 175.328 0.034 0.000 1.095 345 H CA 2.685 58.782 56.048 0.082 0.000 1.256 345 H CB -0.850 28.917 29.762 0.008 0.000 1.359 345 H HN 0.487 nan 8.280 nan 0.000 0.487 346 I N -1.980 118.654 120.570 0.107 0.000 2.830 346 I HA -0.162 4.012 4.170 0.006 0.000 0.263 346 I C 1.658 177.627 176.117 -0.246 0.000 1.230 346 I CA 1.269 62.493 61.300 -0.127 0.000 1.480 346 I CB -0.431 37.421 38.000 -0.247 0.000 1.095 346 I HN -0.070 nan 8.210 nan 0.000 0.455 347 Y N 1.413 121.779 120.300 0.109 0.000 2.448 347 Y HA 0.098 4.652 4.550 0.006 0.000 0.289 347 Y C 2.211 178.139 175.900 0.046 0.000 1.114 347 Y CA 0.780 58.911 58.100 0.051 0.000 1.235 347 Y CB -0.764 37.690 38.460 -0.011 0.000 1.045 347 Y HN 0.172 nan 8.280 nan 0.000 0.554 348 N N 0.261 119.065 118.700 0.173 0.000 2.104 348 N HA -0.186 4.558 4.740 0.006 0.000 0.190 348 N C 1.382 176.931 175.510 0.065 0.000 1.024 348 N CA 1.613 54.731 53.050 0.113 0.000 0.853 348 N CB -0.317 38.238 38.487 0.114 0.000 1.008 348 N HN 0.124 nan 8.380 nan 0.000 0.424 349 I N 1.269 121.837 120.570 -0.003 0.000 2.439 349 I HA -0.135 4.039 4.170 0.006 0.000 0.251 349 I C 1.981 178.093 176.117 -0.008 0.000 1.139 349 I CA 0.999 62.227 61.300 -0.120 0.000 1.438 349 I CB -0.406 37.370 38.000 -0.374 0.000 1.085 349 I HN 0.190 nan 8.210 nan 0.000 0.427 350 E N 0.497 120.719 120.200 0.037 0.000 2.051 350 E HA -0.221 4.133 4.350 0.006 0.000 0.192 350 E C 2.343 179.024 176.600 0.136 0.000 0.991 350 E CA 1.360 57.824 56.400 0.106 0.000 0.799 350 E CB -0.261 29.540 29.700 0.168 0.000 0.748 350 E HN 0.496 nan 8.360 nan 0.000 0.449 351 A N 1.523 124.425 122.820 0.137 0.000 1.849 351 A HA -0.252 4.072 4.320 0.006 0.000 0.217 351 A C 2.601 180.249 177.584 0.107 0.000 1.202 351 A CA 1.730 53.838 52.037 0.119 0.000 0.629 351 A CB -1.244 17.809 19.000 0.089 0.000 0.834 351 A HN 0.382 nan 8.150 nan 0.000 0.447 352 C N -0.700 118.665 119.300 0.108 0.000 2.336 352 C HA -0.218 4.246 4.460 0.006 0.000 0.278 352 C C 2.424 177.499 174.990 0.141 0.000 1.172 352 C CA 1.448 60.541 59.018 0.126 0.000 1.779 352 C CB -1.669 26.168 27.740 0.160 0.000 1.986 352 C HN 0.696 nan 8.230 nan 0.000 0.430 353 D N -0.059 120.451 120.400 0.183 0.000 2.192 353 D HA -0.164 4.480 4.640 0.006 0.000 0.189 353 D C 2.138 178.516 176.300 0.129 0.000 1.007 353 D CA 2.310 56.417 54.000 0.178 0.000 0.859 353 D CB -0.805 40.116 40.800 0.202 0.000 0.936 353 D HN 0.504 nan 8.370 nan 0.000 0.447 354 T N -0.029 114.600 114.554 0.125 0.000 2.720 354 T HA -0.125 4.229 4.350 0.006 0.000 0.268 354 T C 1.889 176.648 174.700 0.099 0.000 1.037 354 T CA 1.661 63.830 62.100 0.114 0.000 1.144 354 T CB -0.319 68.628 68.868 0.131 0.000 0.864 354 T HN 0.266 nan 8.240 nan 0.000 0.444 355 A N 1.270 124.146 122.820 0.092 0.000 1.929 355 A HA -0.024 4.300 4.320 0.006 0.000 0.216 355 A C 2.197 179.823 177.584 0.069 0.000 1.176 355 A CA 1.728 53.810 52.037 0.076 0.000 0.628 355 A CB -0.443 18.598 19.000 0.068 0.000 0.816 355 A HN 0.479 nan 8.150 nan 0.000 0.444 356 K N -0.424 120.019 120.400 0.073 0.000 2.097 356 K HA -0.194 4.130 4.320 0.006 0.000 0.205 356 K C 2.260 178.892 176.600 0.053 0.000 1.050 356 K CA 1.599 57.920 56.287 0.057 0.000 0.938 356 K CB -0.168 32.367 32.500 0.058 0.000 0.718 356 K HN 0.641 nan 8.250 nan 0.000 0.442 357 Q N 0.002 119.843 119.800 0.068 0.000 2.020 357 Q HA -0.122 4.221 4.340 0.006 0.000 0.198 357 Q C 1.994 178.029 176.000 0.059 0.000 0.974 357 Q CA 1.390 57.234 55.803 0.069 0.000 0.829 357 Q CB -0.230 28.558 28.738 0.084 0.000 0.894 357 Q HN 0.381 nan 8.270 nan 0.000 0.433 358 A N 1.151 124.008 122.820 0.062 0.000 1.873 358 A HA -0.213 4.111 4.320 0.006 0.000 0.218 358 A C 2.111 179.722 177.584 0.044 0.000 1.193 358 A CA 1.588 53.658 52.037 0.054 0.000 0.629 358 A CB -0.947 18.090 19.000 0.062 0.000 0.826 358 A HN 0.483 nan 8.150 nan 0.000 0.447 359 L N -0.610 120.640 121.223 0.045 0.000 2.027 359 L HA -0.144 4.200 4.340 0.006 0.000 0.206 359 L C 2.407 179.300 176.870 0.039 0.000 1.074 359 L CA 0.715 55.579 54.840 0.039 0.000 0.745 359 L CB -0.387 41.696 42.059 0.040 0.000 0.898 359 L HN 0.316 nan 8.230 nan 0.000 0.433 360 I N 0.165 120.759 120.570 0.039 0.000 2.361 360 I HA -0.176 3.998 4.170 0.006 0.000 0.251 360 I C 2.551 178.701 176.117 0.056 0.000 1.133 360 I CA 1.585 62.917 61.300 0.053 0.000 1.413 360 I CB -1.762 36.258 38.000 0.033 0.000 1.073 360 I HN 0.235 nan 8.210 nan 0.000 0.424 361 G N -0.033 108.785 108.800 0.030 0.000 2.448 361 G HA2 -0.171 3.793 3.960 0.006 0.000 0.218 361 G HA3 -0.171 3.793 3.960 0.006 0.000 0.218 361 G C 1.486 176.382 174.900 -0.008 0.000 1.135 361 G CA -0.004 45.096 45.100 -0.000 0.000 0.784 361 G HN 0.300 nan 8.290 nan 0.000 0.543 362 M N 1.171 120.777 119.600 0.011 0.000 2.608 362 M HA 0.146 4.629 4.480 0.006 0.000 0.224 362 M C 0.023 176.328 176.300 0.009 0.000 1.204 362 M CA -0.246 55.058 55.300 0.007 0.000 0.984 362 M CB -0.011 32.599 32.600 0.016 0.000 1.691 362 M HN 0.061 nan 8.290 nan 0.000 0.469 363 D N 0.724 121.133 120.400 0.015 0.000 2.472 363 D HA 0.134 4.778 4.640 0.006 0.000 0.248 363 D C 1.208 177.507 176.300 -0.002 0.000 1.174 363 D CA 1.241 55.261 54.000 0.033 0.000 0.883 363 D CB 0.488 41.339 40.800 0.084 0.000 1.149 363 D HN 0.509 nan 8.370 nan 0.000 0.488 364 G N 3.454 112.259 108.800 0.009 0.000 2.321 364 G HA2 -0.322 3.642 3.960 0.006 0.000 0.287 364 G HA3 -0.322 3.642 3.960 0.006 0.000 0.287 364 G C 0.880 175.772 174.900 -0.013 0.000 1.018 364 G CA 0.616 45.713 45.100 -0.004 0.000 0.855 364 G HN 0.596 nan 8.290 nan 0.000 0.507 365 L N -0.731 120.487 121.223 -0.009 0.000 2.083 365 L HA 0.102 4.446 4.340 0.006 0.000 0.209 365 L C 2.498 179.363 176.870 -0.008 0.000 1.083 365 L CA 2.306 57.140 54.840 -0.010 0.000 0.752 365 L CB -0.238 41.818 42.059 -0.005 0.000 0.899 365 L HN 0.309 nan 8.230 nan 0.000 0.433 366 M N -0.846 118.750 119.600 -0.005 0.000 2.686 366 M HA -0.041 4.442 4.480 0.006 0.000 0.246 366 M C 1.107 177.403 176.300 -0.008 0.000 1.096 366 M CA 0.657 55.954 55.300 -0.006 0.000 1.076 366 M CB -1.256 31.341 32.600 -0.006 0.000 1.504 366 M HN 0.221 nan 8.290 nan 0.000 0.524 367 D N -0.401 119.993 120.400 -0.009 0.000 2.333 367 D HA 0.102 4.746 4.640 0.006 0.000 0.208 367 D C 1.771 178.064 176.300 -0.011 0.000 0.984 367 D CA 0.754 54.747 54.000 -0.010 0.000 0.873 367 D CB 0.306 41.099 40.800 -0.012 0.000 0.935 367 D HN 0.329 nan 8.370 nan 0.000 0.521 368 M N -0.727 118.866 119.600 -0.012 0.000 2.338 368 M HA 0.183 4.667 4.480 0.006 0.000 0.276 368 M C -0.166 176.129 176.300 -0.008 0.000 1.057 368 M CA 0.194 55.487 55.300 -0.011 0.000 1.079 368 M CB 2.228 34.818 32.600 -0.016 0.000 1.547 368 M HN -0.315 nan 8.290 nan 0.000 0.549 369 V N 1.309 121.219 119.914 -0.006 0.000 2.925 369 V HA 0.476 4.600 4.120 0.006 0.000 0.311 369 V C -0.989 175.103 176.094 -0.002 0.000 1.104 369 V CA -0.595 61.703 62.300 -0.003 0.000 0.954 369 V CB 2.601 34.423 31.823 -0.001 0.000 1.022 369 V HN 0.384 nan 8.190 nan 0.000 0.427 370 Q N 3.567 123.367 119.800 -0.000 0.000 2.534 370 Q HA 0.616 4.959 4.340 0.006 0.000 0.290 370 Q C -2.025 173.975 176.000 0.000 0.000 0.991 370 Q CA -0.955 54.847 55.803 -0.001 0.000 0.783 370 Q CB 2.120 30.857 28.738 -0.002 0.000 1.470 370 Q HN 0.600 nan 8.270 nan 0.000 0.406 371 L N 1.875 123.097 121.223 -0.002 0.000 2.410 371 L HA 0.298 4.642 4.340 0.006 0.000 0.273 371 L C 0.410 177.279 176.870 -0.002 0.000 1.152 371 L CA -0.222 54.616 54.840 -0.003 0.000 0.855 371 L CB 0.302 42.357 42.059 -0.006 0.000 1.129 371 L HN 0.586 nan 8.230 nan 0.000 0.463 372 K N 2.791 123.191 120.400 -0.001 0.000 2.243 372 K HA -0.018 4.305 4.320 0.006 0.000 0.232 372 K C 1.078 177.677 176.600 -0.003 0.000 1.237 372 K CA -0.181 56.107 56.287 0.001 0.000 1.161 372 K CB 0.108 32.612 32.500 0.006 0.000 1.505 372 K HN 0.335 nan 8.250 nan 0.000 0.271 373 R N 1.225 121.724 120.500 -0.002 0.000 2.120 373 R HA -0.084 4.260 4.340 0.006 0.000 0.234 373 R C 0.010 176.310 176.300 -0.000 0.000 1.123 373 R CA 1.488 57.587 56.100 -0.003 0.000 0.975 373 R CB 0.180 30.479 30.300 -0.001 0.000 0.866 373 R HN 0.287 nan 8.270 nan 0.000 0.446 374 E N -0.075 120.126 120.200 0.002 0.000 2.156 374 E HA 0.504 4.858 4.350 0.006 0.000 0.279 374 E C 0.014 176.618 176.600 0.007 0.000 0.965 374 E CA 0.272 56.675 56.400 0.005 0.000 0.789 374 E CB 1.323 31.027 29.700 0.007 0.000 1.098 374 E HN 0.439 nan 8.360 nan 0.000 0.397 375 G N 0.510 109.315 108.800 0.008 0.000 2.302 375 G HA2 -0.176 3.788 3.960 0.006 0.000 0.264 375 G HA3 -0.176 3.788 3.960 0.006 0.000 0.264 375 G C 0.348 175.252 174.900 0.007 0.000 1.335 375 G CA -0.281 44.826 45.100 0.011 0.000 0.982 375 G HN 0.351 nan 8.290 nan 0.000 0.473 376 V N 0.331 120.249 119.914 0.007 0.000 2.490 376 V HA -0.032 4.092 4.120 0.006 0.000 0.250 376 V C 2.710 178.770 176.094 -0.056 0.000 1.061 376 V CA 3.135 65.433 62.300 -0.004 0.000 1.064 376 V CB -0.392 31.449 31.823 0.030 0.000 0.670 376 V HN 1.045 nan 8.190 nan 0.000 0.461 377 L N 1.320 122.501 121.223 -0.070 0.000 1.994 377 L HA 0.104 4.448 4.340 0.006 0.000 0.208 377 L C 2.461 179.312 176.870 -0.031 0.000 1.071 377 L CA 2.706 57.498 54.840 -0.080 0.000 0.745 377 L CB -1.476 40.544 42.059 -0.065 0.000 0.892 377 L HN 0.301 nan 8.230 nan 0.000 0.431 378 G N -1.026 107.767 108.800 -0.011 0.000 2.476 378 G HA2 -0.319 3.645 3.960 0.006 0.000 0.218 378 G HA3 -0.319 3.645 3.960 0.006 0.000 0.218 378 G C 1.243 176.153 174.900 0.016 0.000 1.164 378 G CA 1.004 46.107 45.100 0.005 0.000 0.768 378 G HN 0.455 nan 8.290 nan 0.000 0.560 379 D N 0.222 120.632 120.400 0.016 0.000 2.103 379 D HA -0.092 4.552 4.640 0.006 0.000 0.190 379 D C 2.820 179.145 176.300 0.042 0.000 0.997 379 D CA 1.734 55.752 54.000 0.029 0.000 0.833 379 D CB -0.859 39.959 40.800 0.031 0.000 0.961 379 D HN 0.241 nan 8.370 nan 0.000 0.447 380 T N 0.636 115.210 114.554 0.033 0.000 2.652 380 T HA -0.136 4.218 4.350 0.006 0.000 0.267 380 T C 2.258 177.007 174.700 0.082 0.000 1.039 380 T CA 1.203 63.337 62.100 0.058 0.000 1.153 380 T CB -0.611 68.270 68.868 0.021 0.000 0.863 380 T HN -0.048 nan 8.240 nan 0.000 0.428 381 V N 1.779 121.730 119.914 0.061 0.000 2.278 381 V HA -0.268 3.856 4.120 0.006 0.000 0.251 381 V C 2.654 178.798 176.094 0.084 0.000 1.062 381 V CA 2.234 64.580 62.300 0.078 0.000 1.038 381 V CB -0.628 31.225 31.823 0.049 0.000 0.646 381 V HN 0.336 nan 8.190 nan 0.000 0.447 382 R N 0.830 121.369 120.500 0.065 0.000 2.073 382 R HA -0.216 4.128 4.340 0.006 0.000 0.234 382 R C 2.331 178.677 176.300 0.077 0.000 1.134 382 R CA 2.365 58.502 56.100 0.062 0.000 0.952 382 R CB -0.731 29.597 30.300 0.047 0.000 0.850 382 R HN 0.684 nan 8.270 nan 0.000 0.433 383 E N 0.147 120.398 120.200 0.084 0.000 2.153 383 E HA -0.196 4.158 4.350 0.006 0.000 0.194 383 E C 1.913 178.583 176.600 0.117 0.000 0.988 383 E CA 1.372 57.827 56.400 0.092 0.000 0.811 383 E CB -0.150 29.609 29.700 0.098 0.000 0.746 383 E HN 0.484 nan 8.360 nan 0.000 0.466 384 L N 0.628 121.944 121.223 0.154 0.000 2.012 384 L HA -0.211 4.133 4.340 0.006 0.000 0.210 384 L C 2.683 179.656 176.870 0.171 0.000 1.073 384 L CA 1.690 56.647 54.840 0.196 0.000 0.748 384 L CB -0.398 41.815 42.059 0.255 0.000 0.891 384 L HN 0.095 nan 8.230 nan 0.000 0.431 385 K N 0.069 120.555 120.400 0.144 0.000 2.026 385 K HA -0.185 4.138 4.320 0.006 0.000 0.208 385 K C 1.969 178.632 176.600 0.104 0.000 1.048 385 K CA 1.535 57.895 56.287 0.122 0.000 0.929 385 K CB -0.212 32.342 32.500 0.091 0.000 0.713 385 K HN 0.387 nan 8.250 nan 0.000 0.439 386 E N 0.774 121.029 120.200 0.090 0.000 2.085 386 E HA -0.199 4.155 4.350 0.006 0.000 0.194 386 E C 2.147 178.808 176.600 0.100 0.000 0.994 386 E CA 1.081 57.529 56.400 0.080 0.000 0.801 386 E CB -0.105 29.633 29.700 0.063 0.000 0.743 386 E HN 0.259 nan 8.360 nan 0.000 0.453 387 R N 0.600 121.164 120.500 0.107 0.000 2.081 387 R HA -0.098 4.245 4.340 0.006 0.000 0.235 387 R C 2.399 178.816 176.300 0.195 0.000 1.131 387 R CA 1.222 57.411 56.100 0.148 0.000 0.960 387 R CB -0.319 30.029 30.300 0.080 0.000 0.856 387 R HN 0.120 nan 8.270 nan 0.000 0.436 388 A N 0.545 123.456 122.820 0.152 0.000 1.930 388 A HA -0.084 4.239 4.320 0.006 0.000 0.217 388 A C 2.319 179.971 177.584 0.113 0.000 1.175 388 A CA 1.178 53.289 52.037 0.122 0.000 0.627 388 A CB -0.354 18.724 19.000 0.130 0.000 0.815 388 A HN 0.110 nan 8.150 nan 0.000 0.443 389 V N 0.208 120.188 119.914 0.110 0.000 2.307 389 V HA -0.244 3.879 4.120 0.006 0.000 0.245 389 V C 2.546 178.713 176.094 0.121 0.000 1.045 389 V CA 1.830 64.187 62.300 0.096 0.000 1.024 389 V CB -0.835 31.034 31.823 0.075 0.000 0.651 389 V HN 0.577 nan 8.190 nan 0.000 0.449 390 L N -1.086 120.228 121.223 0.151 0.000 2.021 390 L HA -0.279 4.065 4.340 0.006 0.000 0.215 390 L C 2.374 179.368 176.870 0.207 0.000 1.074 390 L CA 2.172 57.133 54.840 0.202 0.000 0.760 390 L CB -0.673 41.548 42.059 0.270 0.000 0.889 390 L HN 0.305 nan 8.230 nan 0.000 0.433 391 F N -0.197 119.667 119.950 -0.143 0.000 2.069 391 F HA -0.329 4.202 4.527 0.006 0.000 0.298 391 F C 2.729 178.424 175.800 -0.175 0.000 1.113 391 F CA 1.310 58.955 58.000 -0.592 0.000 1.214 391 F CB 0.029 38.527 39.000 -0.837 0.000 0.978 391 F HN -0.013 nan 8.300 nan 0.000 0.474 392 M N 0.086 119.818 119.600 0.220 0.000 2.106 392 M HA -0.275 4.208 4.480 0.006 0.000 0.259 392 M C 2.004 178.398 176.300 0.157 0.000 1.068 392 M CA 1.734 57.136 55.300 0.171 0.000 1.100 392 M CB -1.411 31.251 32.600 0.104 0.000 1.351 392 M HN 0.289 nan 8.290 nan 0.000 0.404 393 E N -0.062 120.219 120.200 0.137 0.000 2.085 393 E HA -0.248 4.105 4.350 0.006 0.000 0.194 393 E C 1.979 178.660 176.600 0.135 0.000 0.994 393 E CA 1.529 57.999 56.400 0.115 0.000 0.801 393 E CB -0.120 29.641 29.700 0.101 0.000 0.743 393 E HN 0.573 nan 8.360 nan 0.000 0.453 394 E N 0.619 120.927 120.200 0.180 0.000 2.152 394 E HA -0.146 4.208 4.350 0.006 0.000 0.192 394 E C 2.064 178.848 176.600 0.306 0.000 0.983 394 E CA 0.495 57.038 56.400 0.237 0.000 0.818 394 E CB 0.029 29.876 29.700 0.245 0.000 0.758 394 E HN 0.215 nan 8.360 nan 0.000 0.467 395 I N 0.836 121.576 120.570 0.284 0.000 2.208 395 I HA -0.303 3.870 4.170 0.006 0.000 0.245 395 I C 2.289 178.442 176.117 0.061 0.000 1.097 395 I CA 1.110 62.505 61.300 0.158 0.000 1.363 395 I CB -0.242 37.890 38.000 0.220 0.000 1.051 395 I HN 0.248 nan 8.210 nan 0.000 0.413 396 I N 0.527 121.147 120.570 0.083 0.000 2.193 396 I HA -0.271 3.903 4.170 0.006 0.000 0.240 396 I C 2.554 178.694 176.117 0.038 0.000 1.084 396 I CA 1.272 62.599 61.300 0.046 0.000 1.365 396 I CB -0.501 37.529 38.000 0.049 0.000 1.064 396 I HN 0.287 nan 8.210 nan 0.000 0.410 397 E N 1.879 122.117 120.200 0.062 0.000 2.501 397 E HA -0.180 4.174 4.350 0.006 0.000 0.203 397 E C 1.203 177.835 176.600 0.053 0.000 1.072 397 E CA 0.986 57.420 56.400 0.057 0.000 0.885 397 E CB 0.125 29.867 29.700 0.070 0.000 0.813 397 E HN 0.500 nan 8.360 nan 0.000 0.556 398 A N -0.012 122.830 122.820 0.037 0.000 2.589 398 A HA 0.472 4.796 4.320 0.006 0.000 0.283 398 A C 1.087 178.636 177.584 -0.058 0.000 1.187 398 A CA 0.282 52.318 52.037 -0.002 0.000 0.957 398 A CB 0.416 19.405 19.000 -0.018 0.000 1.175 398 A HN 0.359 nan 8.150 nan 0.000 0.532 399 G N -1.082 107.698 108.800 -0.033 0.000 2.142 399 G HA2 0.303 4.267 3.960 0.006 0.000 0.225 399 G HA3 0.303 4.267 3.960 0.006 0.000 0.225 399 G C 1.331 176.199 174.900 -0.054 0.000 1.015 399 G CA 0.384 45.462 45.100 -0.036 0.000 0.716 399 G HN 2.453 nan 8.290 nan 0.000 0.508 400 G N -1.567 107.202 108.800 -0.053 0.000 2.741 400 G HA2 0.000 3.964 3.960 0.006 0.000 0.222 400 G HA3 0.000 3.964 3.960 0.006 0.000 0.222 400 G C 0.428 175.290 174.900 -0.064 0.000 1.364 400 G CA 0.529 45.594 45.100 -0.058 0.000 0.866 400 G HN 1.528 nan 8.290 nan 0.000 0.555 401 Y N 0.151 120.317 120.300 -0.223 0.000 2.097 401 Y HA -0.017 4.537 4.550 0.006 0.000 0.282 401 Y C 2.883 178.734 175.900 -0.083 0.000 1.152 401 Y CA 3.101 61.085 58.100 -0.194 0.000 1.136 401 Y CB -0.421 37.816 38.460 -0.373 0.000 0.975 401 Y HN 0.465 nan 8.280 nan 0.000 0.498 402 F N 0.728 120.609 119.950 -0.115 0.000 2.091 402 F HA -0.284 4.247 4.527 0.006 0.000 0.299 402 F C 2.274 177.928 175.800 -0.243 0.000 1.103 402 F CA 1.596 59.479 58.000 -0.196 0.000 1.228 402 F CB -1.566 37.377 39.000 -0.096 0.000 0.984 402 F HN 0.149 nan 8.300 nan 0.000 0.477 403 N N 0.326 119.019 118.700 -0.012 0.000 2.061 403 N HA -0.184 4.559 4.740 0.006 0.000 0.193 403 N C 2.047 177.383 175.510 -0.289 0.000 1.030 403 N CA 1.656 54.634 53.050 -0.119 0.000 0.856 403 N CB -0.920 37.492 38.487 -0.125 0.000 1.023 403 N HN 0.247 nan 8.380 nan 0.000 0.424 404 A N 0.500 123.060 122.820 -0.434 0.000 1.892 404 A HA -0.154 4.169 4.320 0.006 0.000 0.218 404 A C 2.466 179.869 177.584 -0.301 0.000 1.188 404 A CA 1.859 53.441 52.037 -0.759 0.000 0.631 404 A CB -0.918 17.831 19.000 -0.418 0.000 0.822 404 A HN 0.145 nan 8.150 nan 0.000 0.447 405 V N -0.432 119.347 119.914 -0.226 0.000 2.427 405 V HA -0.208 3.916 4.120 0.006 0.000 0.248 405 V C 2.390 178.453 176.094 -0.051 0.000 1.051 405 V CA 2.109 64.332 62.300 -0.128 0.000 1.048 405 V CB -0.658 30.958 31.823 -0.346 0.000 0.666 405 V HN 0.698 nan 8.190 nan 0.000 0.456 406 E N -0.183 119.966 120.200 -0.084 0.000 2.208 406 E HA -0.175 4.179 4.350 0.006 0.000 0.193 406 E C 1.884 178.487 176.600 0.004 0.000 0.988 406 E CA 0.568 56.940 56.400 -0.046 0.000 0.828 406 E CB 0.077 29.743 29.700 -0.056 0.000 0.763 406 E HN 0.648 nan 8.360 nan 0.000 0.478 407 Q N -0.796 119.012 119.800 0.012 0.000 2.282 407 Q HA 0.117 4.461 4.340 0.006 0.000 0.205 407 Q C 0.578 176.768 176.000 0.316 0.000 0.915 407 Q CA 0.317 56.215 55.803 0.159 0.000 0.949 407 Q CB 0.775 29.641 28.738 0.214 0.000 1.035 407 Q HN 0.368 nan 8.270 nan 0.000 0.484 408 G N 0.454 109.392 108.800 0.230 0.000 2.225 408 G HA2 -0.289 3.675 3.960 0.006 0.000 0.267 408 G HA3 -0.289 3.675 3.960 0.006 0.000 0.267 408 G C 0.302 175.395 174.900 0.321 0.000 1.024 408 G CA 0.152 45.388 45.100 0.226 0.000 0.784 408 G HN 0.406 nan 8.290 nan 0.000 0.507 409 F N -0.711 119.292 119.950 0.088 0.000 2.307 409 F HA 0.240 4.771 4.527 0.006 0.000 0.301 409 F C 1.570 177.325 175.800 -0.074 0.000 1.076 409 F CA 0.405 58.391 58.000 -0.024 0.000 1.383 409 F CB -0.313 38.640 39.000 -0.078 0.000 1.055 409 F HN 0.261 nan 8.300 nan 0.000 0.526 410 F N -1.854 118.256 119.950 0.266 0.000 2.470 410 F HA 0.438 4.969 4.527 0.006 0.000 0.329 410 F C 0.973 176.837 175.800 0.107 0.000 1.072 410 F CA -1.047 57.063 58.000 0.183 0.000 0.989 410 F CB 1.187 40.234 39.000 0.078 0.000 1.193 410 F HN -0.444 nan 8.300 nan 0.000 0.481 411 V N 0.140 120.223 119.914 0.281 0.000 4.349 411 V HA -0.286 3.837 4.120 0.006 0.000 0.247 411 V C -0.323 175.845 176.094 0.123 0.000 0.442 411 V CA 1.054 63.466 62.300 0.188 0.000 0.865 411 V CB -2.183 29.736 31.823 0.159 0.000 0.887 411 V HN 0.937 nan 8.190 nan 0.000 1.302 412 D N 0.816 121.283 120.400 0.111 0.000 2.264 412 D HA 0.336 4.980 4.640 0.006 0.000 0.250 412 D C 1.291 177.615 176.300 0.040 0.000 1.113 412 D CA 0.465 54.500 54.000 0.058 0.000 0.871 412 D CB 1.921 42.739 40.800 0.030 0.000 1.167 412 D HN 0.507 nan 8.370 nan 0.000 0.447 413 S N 2.037 117.742 115.700 0.009 0.000 2.660 413 S HA 0.137 4.610 4.470 0.006 0.000 0.228 413 S C 0.916 175.498 174.600 -0.030 0.000 0.966 413 S CA -0.268 57.919 58.200 -0.021 0.000 0.940 413 S CB -0.114 63.065 63.200 -0.035 0.000 0.773 413 S HN 0.436 nan 8.310 nan 0.000 0.535 414 G N 0.165 108.964 108.800 -0.002 0.000 2.502 414 G HA2 0.433 4.397 3.960 0.006 0.000 0.305 414 G HA3 0.433 4.397 3.960 0.006 0.000 0.305 414 G C -1.243 173.719 174.900 0.103 0.000 1.190 414 G CA -0.834 44.275 45.100 0.015 0.000 0.933 414 G HN 0.353 nan 8.290 nan 0.000 0.503 415 Y N 1.486 121.764 120.300 -0.037 0.000 2.676 415 Y HA 0.351 4.905 4.550 0.006 0.000 0.338 415 Y C 0.050 175.971 175.900 0.034 0.000 1.057 415 Y CA -2.172 55.936 58.100 0.014 0.000 1.314 415 Y CB -0.620 37.850 38.460 0.017 0.000 1.164 415 Y HN 0.482 nan 8.280 nan 0.000 0.509 416 Y N 8.386 128.635 120.300 -0.085 0.000 2.987 416 Y HA -0.009 4.544 4.550 0.006 0.000 0.339 416 Y C -1.432 174.265 175.900 -0.338 0.000 1.272 416 Y CA -0.709 57.261 58.100 -0.217 0.000 1.562 416 Y CB 0.768 39.157 38.460 -0.118 0.000 1.253 416 Y HN 0.535 nan 8.280 nan 0.000 0.604 417 P HA -0.038 nan 4.420 nan 0.000 0.253 417 P C -0.702 176.050 177.300 -0.914 0.000 1.281 417 P CA 0.458 62.558 63.100 -1.665 0.000 0.792 417 P CB 0.026 31.146 31.700 -0.967 0.000 1.193 418 E N 1.412 121.307 120.200 -0.508 0.000 2.259 418 E HA 0.142 4.495 4.350 0.006 0.000 0.281 418 E C -0.333 176.115 176.600 -0.253 0.000 1.037 418 E CA -0.612 55.614 56.400 -0.290 0.000 0.854 418 E CB 0.528 30.152 29.700 -0.126 0.000 1.051 418 E HN -0.079 nan 8.360 nan 0.000 0.409 419 R N 4.461 124.817 120.500 -0.241 0.000 2.337 419 R HA 0.212 4.556 4.340 0.006 0.000 0.319 419 R C 0.009 176.234 176.300 -0.124 0.000 0.954 419 R CA -0.458 55.523 56.100 -0.200 0.000 0.840 419 R CB 0.466 30.603 30.300 -0.273 0.000 1.164 419 R HN 0.484 nan 8.270 nan 0.000 0.472 420 N N 2.561 121.212 118.700 -0.081 0.000 2.463 420 N HA 0.058 4.802 4.740 0.006 0.000 0.181 420 N C 0.782 176.266 175.510 -0.043 0.000 1.078 420 N CA 1.097 54.115 53.050 -0.053 0.000 0.902 420 N CB 0.666 39.132 38.487 -0.036 0.000 0.970 420 N HN 0.925 nan 8.380 nan 0.000 0.451 421 G N 1.401 110.173 108.800 -0.046 0.000 2.141 421 G HA2 -0.229 3.735 3.960 0.006 0.000 0.242 421 G HA3 -0.229 3.735 3.960 0.006 0.000 0.242 421 G C -0.016 174.879 174.900 -0.008 0.000 0.982 421 G CA 0.496 45.579 45.100 -0.029 0.000 0.662 421 G HN 0.521 nan 8.290 nan 0.000 0.527 422 D N 0.158 120.557 120.400 -0.003 0.000 2.538 422 D HA 0.407 5.051 4.640 0.006 0.000 0.231 422 D C 1.152 177.468 176.300 0.027 0.000 1.229 422 D CA 0.351 54.357 54.000 0.009 0.000 0.828 422 D CB -0.188 40.614 40.800 0.004 0.000 1.035 422 D HN 0.643 nan 8.370 nan 0.000 0.495 423 G N 0.480 109.303 108.800 0.040 0.000 2.634 423 G HA2 0.359 4.323 3.960 0.006 0.000 0.255 423 G HA3 0.359 4.323 3.960 0.006 0.000 0.255 423 G C 0.076 175.017 174.900 0.068 0.000 1.205 423 G CA -0.568 44.575 45.100 0.072 0.000 0.884 423 G HN 0.146 nan 8.290 nan 0.000 0.549 424 I N 1.189 121.805 120.570 0.077 0.000 2.452 424 I HA 0.275 4.448 4.170 0.006 0.000 0.287 424 I C 0.815 176.956 176.117 0.040 0.000 1.079 424 I CA -0.559 60.764 61.300 0.038 0.000 1.387 424 I CB 0.599 38.598 38.000 -0.001 0.000 1.404 424 I HN 0.429 nan 8.210 nan 0.000 0.522 425 A N 8.539 131.371 122.820 0.020 0.000 2.280 425 A HA 0.616 4.940 4.320 0.006 0.000 0.320 425 A C 0.067 177.635 177.584 -0.026 0.000 1.366 425 A CA -0.750 51.295 52.037 0.012 0.000 0.938 425 A CB 0.318 19.331 19.000 0.021 0.000 1.157 425 A HN 0.535 nan 8.150 nan 0.000 0.536 426 R N 1.640 122.108 120.500 -0.053 0.000 2.457 426 R HA 0.501 4.844 4.340 0.006 0.000 0.284 426 R C -0.607 175.644 176.300 -0.083 0.000 1.024 426 R CA -0.573 55.480 56.100 -0.079 0.000 1.025 426 R CB 0.681 30.913 30.300 -0.113 0.000 1.063 426 R HN 0.753 nan 8.270 nan 0.000 0.493 427 Q N 1.249 120.997 119.800 -0.086 0.000 2.256 427 Q HA 0.283 4.626 4.340 0.006 0.000 0.257 427 Q C 1.294 177.209 176.000 -0.141 0.000 0.936 427 Q CA -0.214 55.532 55.803 -0.094 0.000 0.903 427 Q CB 1.733 30.428 28.738 -0.071 0.000 1.263 427 Q HN 0.710 nan 8.270 nan 0.000 0.440 428 I N 1.417 121.884 120.570 -0.171 0.000 2.454 428 I HA -0.260 3.914 4.170 0.006 0.000 0.254 428 I C 0.736 176.716 176.117 -0.227 0.000 1.156 428 I CA 1.649 62.781 61.300 -0.281 0.000 1.433 428 I CB 0.125 37.938 38.000 -0.312 0.000 1.082 428 I HN 0.671 nan 8.210 nan 0.000 0.432 429 N N 0.713 119.326 118.700 -0.145 0.000 2.353 429 N HA 0.120 4.864 4.740 0.006 0.000 0.185 429 N C 0.868 176.320 175.510 -0.096 0.000 1.098 429 N CA 0.525 53.507 53.050 -0.113 0.000 0.872 429 N CB 0.348 38.786 38.487 -0.081 0.000 0.970 429 N HN 0.449 nan 8.380 nan 0.000 0.467 430 G N -0.641 108.101 108.800 -0.097 0.000 2.887 430 G HA2 0.619 4.583 3.960 0.006 0.000 0.277 430 G HA3 0.619 4.583 3.960 0.006 0.000 0.277 430 G C -0.042 174.814 174.900 -0.074 0.000 1.346 430 G CA -0.131 44.925 45.100 -0.074 0.000 1.058 430 G HN 0.408 nan 8.290 nan 0.000 0.535 431 G N -1.638 107.130 108.800 -0.052 0.000 2.663 431 G HA2 0.098 4.062 3.960 0.006 0.000 0.686 431 G HA3 0.098 4.062 3.960 0.006 0.000 0.686 431 G C -0.340 174.549 174.900 -0.018 0.000 1.288 431 G CA -0.545 44.532 45.100 -0.040 0.000 0.836 431 G HN 0.853 nan 8.290 nan 0.000 0.584 432 I N 1.729 122.307 120.570 0.013 0.000 2.664 432 I HA 0.341 4.514 4.170 0.006 0.000 0.284 432 I C 1.826 177.955 176.117 0.020 0.000 1.154 432 I CA 1.964 63.291 61.300 0.044 0.000 1.402 432 I CB -0.444 37.635 38.000 0.131 0.000 1.395 432 I HN 2.308 nan 8.210 nan 0.000 0.545 433 G N 4.734 113.542 108.800 0.015 0.000 2.141 433 G HA2 -0.148 3.816 3.960 0.006 0.000 0.242 433 G HA3 -0.148 3.816 3.960 0.006 0.000 0.242 433 G C 0.537 175.420 174.900 -0.028 0.000 0.982 433 G CA 0.010 45.113 45.100 0.004 0.000 0.662 433 G HN 1.052 nan 8.290 nan 0.000 0.527 434 A N 0.095 122.891 122.820 -0.039 0.000 2.531 434 A HA 0.631 4.955 4.320 0.006 0.000 0.236 434 A C 1.966 179.506 177.584 -0.073 0.000 1.062 434 A CA 1.628 53.626 52.037 -0.066 0.000 0.760 434 A CB -0.079 18.883 19.000 -0.063 0.000 0.995 434 A HN 2.383 nan 8.150 nan 0.000 0.501 435 G N 1.520 110.257 108.800 -0.106 0.000 2.298 435 G HA2 -0.081 3.882 3.960 0.006 0.000 0.287 435 G HA3 -0.081 3.882 3.960 0.006 0.000 0.287 435 G C 0.467 175.251 174.900 -0.195 0.000 1.075 435 G CA 1.205 46.220 45.100 -0.142 0.000 0.960 435 G HN 2.366 nan 8.290 nan 0.000 0.502 436 T N -3.892 110.534 114.554 -0.214 0.000 3.399 436 T HA 0.504 4.858 4.350 0.006 0.000 0.305 436 T C 0.180 174.690 174.700 -0.317 0.000 0.983 436 T CA 0.330 62.286 62.100 -0.239 0.000 0.967 436 T CB 0.725 69.586 68.868 -0.011 0.000 1.186 436 T HN 0.740 nan 8.240 nan 0.000 0.504 437 V N 2.583 122.263 119.914 -0.391 0.000 2.383 437 V HA 0.569 4.693 4.120 0.006 0.000 0.275 437 V C -0.672 175.144 176.094 -0.462 0.000 1.036 437 V CA -0.709 61.434 62.300 -0.263 0.000 0.889 437 V CB 0.114 31.866 31.823 -0.119 0.000 0.985 437 V HN 0.450 nan 8.190 nan 0.000 0.459 438 F N 2.167 122.139 119.950 0.037 0.000 2.450 438 F HA 0.431 4.962 4.527 0.006 0.000 0.332 438 F C 0.606 176.421 175.800 0.025 0.000 1.093 438 F CA -0.743 57.279 58.000 0.037 0.000 1.003 438 F CB 1.263 40.295 39.000 0.055 0.000 1.151 438 F HN 0.502 nan 8.300 nan 0.000 0.474 439 E N 2.896 123.199 120.200 0.172 0.000 2.384 439 E HA 0.141 4.495 4.350 0.006 0.000 0.266 439 E C -0.400 176.252 176.600 0.086 0.000 1.012 439 E CA -0.567 55.886 56.400 0.088 0.000 0.901 439 E CB 0.652 30.386 29.700 0.056 0.000 0.967 439 E HN 0.540 nan 8.360 nan 0.000 0.435 440 R N 3.317 123.820 120.500 0.004 0.000 2.401 440 R HA 0.085 4.428 4.340 0.006 0.000 0.299 440 R C -0.407 175.901 176.300 0.013 0.000 1.064 440 R CA -0.342 55.742 56.100 -0.026 0.000 1.000 440 R CB 0.523 30.729 30.300 -0.157 0.000 0.973 440 R HN 0.511 nan 8.270 nan 0.000 0.438 441 D N 1.176 121.655 120.400 0.133 0.000 2.383 441 D HA -0.043 4.601 4.640 0.006 0.000 0.248 441 D C 1.131 177.489 176.300 0.096 0.000 1.170 441 D CA -0.219 53.842 54.000 0.102 0.000 0.977 441 D CB 0.811 41.691 40.800 0.134 0.000 1.120 441 D HN 0.486 nan 8.370 nan 0.000 0.481 442 E N 0.314 120.548 120.200 0.057 0.000 2.118 442 E HA -0.192 4.162 4.350 0.006 0.000 0.195 442 E C 0.166 176.912 176.600 0.242 0.000 0.992 442 E CA 1.027 57.475 56.400 0.080 0.000 0.804 442 E CB 0.168 29.900 29.700 0.053 0.000 0.741 442 E HN 0.448 nan 8.360 nan 0.000 0.458 443 D N -0.921 119.599 120.400 0.200 0.000 2.395 443 D HA -0.086 4.558 4.640 0.006 0.000 0.226 443 D C 0.219 176.647 176.300 0.213 0.000 1.146 443 D CA -0.501 53.611 54.000 0.187 0.000 0.830 443 D CB -1.192 39.667 40.800 0.099 0.000 0.958 443 D HN 0.131 nan 8.370 nan 0.000 0.501 444 Y N 1.568 122.000 120.300 0.221 0.000 2.610 444 Y HA 0.233 4.786 4.550 0.006 0.000 0.332 444 Y C 0.065 176.036 175.900 0.119 0.000 1.201 444 Y CA 0.110 58.320 58.100 0.182 0.000 1.465 444 Y CB 0.493 39.102 38.460 0.249 0.000 1.283 444 Y HN -0.030 nan 8.280 nan 0.000 0.563 445 M N 5.500 124.600 119.600 -0.833 0.000 2.414 445 M HA 0.642 5.126 4.480 0.006 0.000 0.287 445 M C -2.149 173.729 176.300 -0.704 0.000 1.181 445 M CA -0.590 54.396 55.300 -0.524 0.000 0.933 445 M CB 1.995 34.472 32.600 -0.205 0.000 1.732 445 M HN 0.747 nan 8.290 nan 0.000 0.486 446 A N 5.079 127.609 122.820 -0.483 0.000 2.343 446 A HA 0.882 5.206 4.320 0.006 0.000 0.308 446 A C -2.719 174.701 177.584 -0.273 0.000 1.092 446 A CA -1.183 50.616 52.037 -0.397 0.000 0.751 446 A CB 1.227 19.922 19.000 -0.508 0.000 1.203 446 A HN 0.522 nan 8.150 nan 0.000 0.452 447 P HA 0.312 nan 4.420 nan 0.000 0.211 447 P C -0.373 176.853 177.300 -0.123 0.000 1.833 447 P CA 0.059 63.056 63.100 -0.172 0.000 0.938 447 P CB -0.256 31.329 31.700 -0.190 0.000 1.808 448 V N -3.236 116.616 119.914 -0.104 0.000 3.182 448 V HA 0.683 4.807 4.120 0.006 0.000 0.308 448 V C -0.352 175.702 176.094 -0.067 0.000 1.240 448 V CA -0.925 61.325 62.300 -0.083 0.000 1.063 448 V CB 1.471 33.249 31.823 -0.074 0.000 1.076 448 V HN -0.034 nan 8.190 nan 0.000 0.446 449 T N 1.322 115.803 114.554 -0.122 0.000 2.889 449 T HA 0.648 5.002 4.350 0.006 0.000 0.291 449 T C 0.620 175.223 174.700 -0.162 0.000 0.995 449 T CA 0.564 62.572 62.100 -0.153 0.000 1.092 449 T CB 0.919 69.613 68.868 -0.290 0.000 0.954 449 T HN 2.507 nan 8.240 nan 0.000 0.506 450 A N 1.450 124.235 122.820 -0.058 0.000 2.876 450 A HA -0.176 4.148 4.320 0.006 0.000 0.287 450 A C 0.039 177.677 177.584 0.089 0.000 1.455 450 A CA 0.761 52.805 52.037 0.012 0.000 0.744 450 A CB -2.619 16.332 19.000 -0.081 0.000 1.041 450 A HN 1.078 nan 8.150 nan 0.000 0.500 451 H N -1.725 117.368 119.070 0.038 0.000 2.458 451 H HA 0.642 5.202 4.556 0.006 0.000 0.330 451 H C 0.519 175.929 175.328 0.137 0.000 1.111 451 H CA -0.014 56.090 56.048 0.094 0.000 1.245 451 H CB 0.501 30.312 29.762 0.082 0.000 1.456 451 H HN 0.521 nan 8.280 nan 0.000 0.488 452 F N 3.044 122.788 119.950 -0.344 0.000 2.317 452 F HA 0.362 4.893 4.527 0.006 0.000 0.290 452 F C 1.109 176.861 175.800 -0.080 0.000 1.075 452 F CA 0.746 58.654 58.000 -0.153 0.000 1.380 452 F CB -0.079 38.834 39.000 -0.146 0.000 1.093 452 F HN 0.602 nan 8.300 nan 0.000 0.524 453 G N -0.824 107.899 108.800 -0.129 0.000 2.563 453 G HA2 0.054 4.018 3.960 0.006 0.000 0.283 453 G HA3 0.054 4.018 3.960 0.006 0.000 0.283 453 G C -1.415 173.536 174.900 0.084 0.000 1.309 453 G CA -0.518 44.551 45.100 -0.051 0.000 1.022 453 G HN 0.342 nan 8.290 nan 0.000 0.501 454 Y N 0.963 121.253 120.300 -0.017 0.000 2.802 454 Y HA 0.122 4.675 4.550 0.006 0.000 0.333 454 Y C 0.027 176.018 175.900 0.152 0.000 1.244 454 Y CA 0.145 58.263 58.100 0.029 0.000 1.558 454 Y CB 0.249 38.715 38.460 0.009 0.000 1.233 454 Y HN 0.385 nan 8.280 nan 0.000 0.547 455 N N 5.636 124.111 118.700 -0.374 0.000 2.504 455 N HA 0.093 4.836 4.740 0.006 0.000 0.280 455 N C -1.899 173.373 175.510 -0.397 0.000 1.052 455 N CA -0.693 52.254 53.050 -0.173 0.000 0.887 455 N CB 0.634 39.111 38.487 -0.015 0.000 1.323 455 N HN 0.712 nan 8.380 nan 0.000 0.509 456 N N 3.869 122.402 118.700 -0.278 0.000 2.555 456 N HA 0.132 4.875 4.740 0.006 0.000 0.244 456 N C 0.253 175.750 175.510 -0.020 0.000 1.114 456 N CA -0.073 52.882 53.050 -0.159 0.000 0.963 456 N CB 0.381 38.904 38.487 0.061 0.000 1.276 456 N HN 0.301 nan 8.380 nan 0.000 0.510 457 V N 3.447 123.339 119.914 -0.037 0.000 2.949 457 V HA 0.019 4.143 4.120 0.006 0.000 0.245 457 V C 2.125 178.255 176.094 0.060 0.000 1.086 457 V CA 0.424 62.744 62.300 0.032 0.000 1.097 457 V CB -0.345 31.471 31.823 -0.013 0.000 0.762 457 V HN 0.546 nan 8.190 nan 0.000 0.470 458 K N 1.106 121.512 120.400 0.009 0.000 2.090 458 K HA -0.380 3.944 4.320 0.006 0.000 0.218 458 K C 2.236 178.839 176.600 0.005 0.000 1.055 458 K CA 2.676 58.967 56.287 0.006 0.000 0.941 458 K CB -0.325 32.172 32.500 -0.005 0.000 0.722 458 K HN 0.754 nan 8.250 nan 0.000 0.458 459 Q N -0.809 118.987 119.800 -0.006 0.000 2.368 459 Q HA -0.209 4.134 4.340 0.006 0.000 0.210 459 Q C 1.035 176.882 176.000 -0.256 0.000 0.982 459 Q CA 1.727 57.460 55.803 -0.116 0.000 0.884 459 Q CB -0.096 28.563 28.738 -0.131 0.000 0.933 459 Q HN 0.496 nan 8.270 nan 0.000 0.460 460 Y N -0.791 119.492 120.300 -0.028 0.000 2.535 460 Y HA 0.307 4.860 4.550 0.006 0.000 0.264 460 Y C -0.094 175.791 175.900 -0.024 0.000 1.087 460 Y CA -0.194 57.889 58.100 -0.028 0.000 1.285 460 Y CB 1.273 39.710 38.460 -0.038 0.000 1.200 460 Y HN 0.082 nan 8.280 nan 0.000 0.514 461 D N -0.531 119.932 120.400 0.105 0.000 2.229 461 D HA 0.070 4.713 4.640 0.006 0.000 0.209 461 D C -0.276 176.042 176.300 0.030 0.000 1.295 461 D CA 0.061 54.095 54.000 0.056 0.000 0.913 461 D CB 0.595 41.429 40.800 0.057 0.000 1.581 461 D HN 0.045 nan 8.370 nan 0.000 0.502 462 E N 1.120 121.329 120.200 0.015 0.000 2.333 462 E HA -0.142 4.212 4.350 0.006 0.000 0.200 462 E C 1.786 178.389 176.600 0.006 0.000 1.010 462 E CA 1.479 57.883 56.400 0.006 0.000 0.841 462 E CB 0.195 29.896 29.700 0.003 0.000 0.757 462 E HN 0.478 nan 8.360 nan 0.000 0.508 463 A N -0.345 122.480 122.820 0.009 0.000 2.030 463 A HA 0.027 4.351 4.320 0.006 0.000 0.215 463 A C 1.539 179.127 177.584 0.006 0.000 1.164 463 A CA 0.464 52.505 52.037 0.008 0.000 0.697 463 A CB 0.183 19.189 19.000 0.009 0.000 0.827 463 A HN 0.147 nan 8.150 nan 0.000 0.457 464 L N -0.501 120.727 121.223 0.007 0.000 2.592 464 L HA 0.144 4.488 4.340 0.006 0.000 0.227 464 L C 1.989 178.857 176.870 -0.004 0.000 1.127 464 L CA 0.454 55.295 54.840 0.002 0.000 0.884 464 L CB -0.181 41.878 42.059 0.000 0.000 1.065 464 L HN 0.142 nan 8.230 nan 0.000 0.457 465 V N 0.001 119.912 119.914 -0.005 0.000 2.317 465 V HA -0.326 3.797 4.120 0.006 0.000 0.251 465 V C 2.274 178.361 176.094 -0.012 0.000 1.065 465 V CA 2.234 64.525 62.300 -0.015 0.000 1.049 465 V CB -0.459 31.353 31.823 -0.018 0.000 0.651 465 V HN 0.737 nan 8.190 nan 0.000 0.450 466 S N -1.341 114.357 115.700 -0.002 0.000 2.701 466 S HA 0.080 4.554 4.470 0.006 0.000 0.220 466 S C 0.554 175.163 174.600 0.015 0.000 0.954 466 S CA 0.197 58.401 58.200 0.007 0.000 0.936 466 S CB 0.036 63.243 63.200 0.011 0.000 0.777 466 S HN 0.591 nan 8.310 nan 0.000 0.518 467 E N 0.575 120.779 120.200 0.007 0.000 3.844 467 E HA 0.230 4.584 4.350 0.006 0.000 0.260 467 E C -2.554 174.040 176.600 -0.010 0.000 1.163 467 E CA -1.268 55.138 56.400 0.009 0.000 1.261 467 E CB 0.912 30.622 29.700 0.016 0.000 1.261 467 E HN 0.185 nan 8.360 nan 0.000 0.399 468 P HA -0.197 nan 4.420 nan 0.000 0.218 468 P C 1.495 178.758 177.300 -0.061 0.000 1.146 468 P CA 1.487 64.558 63.100 -0.047 0.000 0.820 468 P CB 0.237 31.903 31.700 -0.056 0.000 0.778 469 S N -1.057 114.614 115.700 -0.049 0.000 2.453 469 S HA -0.045 4.429 4.470 0.006 0.000 0.231 469 S C 1.718 176.290 174.600 -0.048 0.000 1.005 469 S CA 0.616 58.782 58.200 -0.057 0.000 0.949 469 S CB -0.735 62.432 63.200 -0.056 0.000 0.774 469 S HN 0.149 nan 8.310 nan 0.000 0.510 470 K N 0.349 120.729 120.400 -0.033 0.000 2.362 470 K HA 0.109 4.433 4.320 0.006 0.000 0.200 470 K C 1.528 178.104 176.600 -0.041 0.000 1.046 470 K CA 0.456 56.727 56.287 -0.026 0.000 0.952 470 K CB -0.337 32.156 32.500 -0.012 0.000 0.753 470 K HN 0.228 nan 8.250 nan 0.000 0.466 471 L N 1.096 122.282 121.223 -0.061 0.000 2.189 471 L HA -0.151 4.192 4.340 0.006 0.000 0.214 471 L C 1.699 178.510 176.870 -0.098 0.000 1.097 471 L CA 1.721 56.506 54.840 -0.092 0.000 0.764 471 L CB -0.295 41.679 42.059 -0.142 0.000 0.900 471 L HN 0.254 nan 8.230 nan 0.000 0.436 472 I N -5.927 114.593 120.570 -0.084 0.000 3.817 472 I HA 0.302 4.476 4.170 0.006 0.000 0.325 472 I C -0.417 175.671 176.117 -0.050 0.000 1.550 472 I CA -0.206 61.050 61.300 -0.074 0.000 1.100 472 I CB 0.261 38.210 38.000 -0.084 0.000 1.216 472 I HN -0.096 nan 8.210 nan 0.000 0.481 473 D N 2.287 122.663 120.400 -0.040 0.000 2.835 473 D HA -0.111 4.533 4.640 0.006 0.000 0.230 473 D C 0.682 176.970 176.300 -0.021 0.000 1.130 473 D CA 1.781 55.766 54.000 -0.025 0.000 0.738 473 D CB -1.255 39.533 40.800 -0.020 0.000 1.090 473 D HN 1.082 nan 8.370 nan 0.000 0.433 474 G N -1.064 107.720 108.800 -0.027 0.000 3.039 474 G HA2 0.002 3.966 3.960 0.006 0.000 0.686 474 G HA3 0.002 3.966 3.960 0.006 0.000 0.686 474 G C 0.677 175.555 174.900 -0.036 0.000 1.066 474 G CA -0.206 44.880 45.100 -0.024 0.000 0.774 474 G HN 0.993 nan 8.290 nan 0.000 0.591 475 C N 1.216 120.484 119.300 -0.054 0.000 2.517 475 C HA 0.856 5.320 4.460 0.006 0.000 0.357 475 C C 2.532 177.488 174.990 -0.055 0.000 1.485 475 C CA 0.696 59.675 59.018 -0.065 0.000 2.148 475 C CB 0.575 28.258 27.740 -0.095 0.000 2.019 475 C HN 1.909 nan 8.230 nan 0.000 0.576 476 T N -0.566 113.955 114.554 -0.054 0.000 2.897 476 T HA -0.158 4.196 4.350 0.006 0.000 0.271 476 T C 1.385 176.069 174.700 -0.028 0.000 1.084 476 T CA 1.693 63.776 62.100 -0.028 0.000 1.123 476 T CB -0.794 68.066 68.868 -0.012 0.000 0.865 476 T HN 0.678 nan 8.240 nan 0.000 0.496 477 L N -0.125 121.030 121.223 -0.113 0.000 2.362 477 L HA 0.068 4.411 4.340 0.006 0.000 0.219 477 L C 2.573 179.499 176.870 0.094 0.000 1.134 477 L CA 1.135 55.892 54.840 -0.140 0.000 0.807 477 L CB -0.404 41.211 42.059 -0.742 0.000 0.927 477 L HN 0.281 nan 8.230 nan 0.000 0.447 478 E N -1.033 119.193 120.200 0.044 0.000 2.256 478 E HA 0.073 4.427 4.350 0.006 0.000 0.198 478 E C 0.176 176.807 176.600 0.051 0.000 0.908 478 E CA 0.237 56.685 56.400 0.079 0.000 0.915 478 E CB 0.630 30.361 29.700 0.051 0.000 0.890 478 E HN 0.044 nan 8.360 nan 0.000 0.484 479 V N 2.920 122.849 119.914 0.024 0.000 2.250 479 V HA 0.205 4.329 4.120 0.006 0.000 0.268 479 V C -2.188 173.916 176.094 0.016 0.000 1.043 479 V CA -1.145 61.166 62.300 0.017 0.000 0.814 479 V CB 1.160 32.986 31.823 0.005 0.000 1.072 479 V HN 0.049 nan 8.190 nan 0.000 0.451 480 P HA -0.060 nan 4.420 nan 0.000 0.225 480 P C 1.216 178.527 177.300 0.017 0.000 1.148 480 P CA 0.782 63.897 63.100 0.025 0.000 0.779 480 P CB 0.451 32.163 31.700 0.019 0.000 0.780 481 E N -0.102 120.105 120.200 0.010 0.000 2.150 481 E HA -0.138 4.215 4.350 0.006 0.000 0.193 481 E C 1.674 178.283 176.600 0.016 0.000 0.985 481 E CA 1.045 57.451 56.400 0.010 0.000 0.814 481 E CB -0.577 29.125 29.700 0.004 0.000 0.752 481 E HN 0.263 nan 8.360 nan 0.000 0.466 482 K N 0.161 120.569 120.400 0.013 0.000 2.280 482 K HA -0.014 4.310 4.320 0.006 0.000 0.202 482 K C 0.254 176.868 176.600 0.023 0.000 1.047 482 K CA 0.244 56.538 56.287 0.012 0.000 0.942 482 K CB -0.102 32.398 32.500 -0.000 0.000 0.739 482 K HN 0.154 nan 8.250 nan 0.000 0.457 483 I N 1.964 122.556 120.570 0.036 0.000 2.683 483 I HA -0.096 4.078 4.170 0.006 0.000 0.286 483 I C -0.090 176.074 176.117 0.078 0.000 1.175 483 I CA -0.101 61.234 61.300 0.058 0.000 1.429 483 I CB 0.633 38.680 38.000 0.078 0.000 1.371 483 I HN -0.217 nan 8.210 nan 0.000 0.569 484 V N 7.550 127.511 119.914 0.078 0.000 2.383 484 V HA 0.104 4.228 4.120 0.006 0.000 0.275 484 V C -0.462 175.713 176.094 0.133 0.000 1.036 484 V CA -0.617 61.737 62.300 0.090 0.000 0.889 484 V CB 0.841 32.694 31.823 0.049 0.000 0.985 484 V HN 0.454 nan 8.190 nan 0.000 0.459 485 Y N 6.238 126.555 120.300 0.027 0.000 2.434 485 Y HA 0.531 5.084 4.550 0.006 0.000 0.341 485 Y C -0.070 175.847 175.900 0.028 0.000 0.965 485 Y CA -1.107 57.012 58.100 0.033 0.000 1.205 485 Y CB 0.615 39.098 38.460 0.039 0.000 1.121 485 Y HN 0.470 nan 8.280 nan 0.000 0.507 486 I N 5.957 126.317 120.570 -0.349 0.000 2.416 486 I HA 0.034 4.207 4.170 0.006 0.000 0.288 486 I C 0.819 176.550 176.117 -0.643 0.000 1.051 486 I CA 0.094 61.190 61.300 -0.340 0.000 1.375 486 I CB 1.094 38.980 38.000 -0.191 0.000 1.407 486 I HN 0.752 nan 8.210 nan 0.000 0.516 487 D N 4.709 124.887 120.400 -0.371 0.000 2.165 487 D HA -0.005 4.639 4.640 0.006 0.000 0.213 487 D C 0.105 176.322 176.300 -0.138 0.000 0.983 487 D CA 1.506 55.356 54.000 -0.250 0.000 0.881 487 D CB 0.669 41.480 40.800 0.018 0.000 1.028 487 D HN 0.512 nan 8.370 nan 0.000 0.457 488 E N -0.451 119.706 120.200 -0.072 0.000 2.356 488 E HA 0.244 4.598 4.350 0.006 0.000 0.275 488 E C 0.240 176.821 176.600 -0.033 0.000 0.904 488 E CA -0.369 56.008 56.400 -0.038 0.000 0.757 488 E CB 2.077 31.776 29.700 -0.002 0.000 1.232 488 E HN 0.089 nan 8.360 nan 0.000 0.442 489 L N -0.205 121.002 121.223 -0.026 0.000 2.433 489 L HA 0.186 4.530 4.340 0.006 0.000 0.200 489 L C 0.892 177.755 176.870 -0.012 0.000 1.059 489 L CA 0.142 54.969 54.840 -0.021 0.000 0.835 489 L CB 0.240 42.284 42.059 -0.025 0.000 1.076 489 L HN 0.454 nan 8.230 nan 0.000 0.481 490 D N 0.530 120.926 120.400 -0.007 0.000 2.345 490 D HA 0.008 4.652 4.640 0.006 0.000 0.247 490 D C 0.163 176.465 176.300 0.002 0.000 1.108 490 D CA 0.357 54.356 54.000 -0.002 0.000 0.894 490 D CB 2.259 43.059 40.800 0.001 0.000 1.203 490 D HN 0.023 nan 8.370 nan 0.000 0.430 491 E N 1.327 121.528 120.200 0.002 0.000 2.431 491 E HA 0.086 4.440 4.350 0.006 0.000 0.200 491 E C 1.038 177.641 176.600 0.005 0.000 0.995 491 E CA 0.268 56.671 56.400 0.004 0.000 0.915 491 E CB 0.320 30.022 29.700 0.004 0.000 0.930 491 E HN 0.477 nan 8.360 nan 0.000 0.496 492 N N -0.041 118.661 118.700 0.003 0.000 2.349 492 N HA -0.062 4.682 4.740 0.006 0.000 0.180 492 N C 0.048 175.558 175.510 0.001 0.000 1.024 492 N CA 0.423 53.474 53.050 0.002 0.000 0.869 492 N CB 0.362 38.850 38.487 0.001 0.000 1.022 492 N HN -0.078 nan 8.380 nan 0.000 0.433 493 D N 0.994 121.396 120.400 0.004 0.000 2.468 493 D HA 0.150 4.794 4.640 0.006 0.000 0.218 493 D C -1.275 175.033 176.300 0.014 0.000 1.155 493 D CA -0.092 53.911 54.000 0.005 0.000 0.924 493 D CB -0.471 40.335 40.800 0.009 0.000 1.029 493 D HN 0.392 nan 8.370 nan 0.000 0.515 494 N N -0.141 118.566 118.700 0.012 0.000 3.348 494 N HA 0.007 4.751 4.740 0.006 0.000 0.233 494 N C -0.003 175.521 175.510 0.024 0.000 1.440 494 N CA -0.855 52.216 53.050 0.034 0.000 0.887 494 N CB 0.807 39.316 38.487 0.036 0.000 1.410 494 N HN -0.134 nan 8.380 nan 0.000 0.502 495 V N 0.562 120.515 119.914 0.065 0.000 2.469 495 V HA -0.217 3.907 4.120 0.006 0.000 0.251 495 V C 1.246 177.330 176.094 -0.015 0.000 1.064 495 V CA 2.012 64.325 62.300 0.020 0.000 1.066 495 V CB -0.961 30.930 31.823 0.114 0.000 0.667 495 V HN 0.673 nan 8.190 nan 0.000 0.461 496 N N 0.116 118.824 118.700 0.014 0.000 2.080 496 N HA -0.129 4.615 4.740 0.006 0.000 0.189 496 N C 1.824 177.328 175.510 -0.010 0.000 1.036 496 N CA 1.857 54.910 53.050 0.004 0.000 0.846 496 N CB -0.609 37.890 38.487 0.019 0.000 1.015 496 N HN 0.437 nan 8.380 nan 0.000 0.423 497 V N 1.932 121.841 119.914 -0.009 0.000 2.282 497 V HA -0.236 3.887 4.120 0.006 0.000 0.249 497 V C 2.639 178.714 176.094 -0.032 0.000 1.057 497 V CA 1.626 63.917 62.300 -0.015 0.000 1.032 497 V CB -0.519 31.296 31.823 -0.013 0.000 0.645 497 V HN 0.314 nan 8.190 nan 0.000 0.447 498 R N -0.990 119.478 120.500 -0.053 0.000 2.075 498 R HA -0.110 4.234 4.340 0.006 0.000 0.232 498 R C 2.383 178.628 176.300 -0.092 0.000 1.126 498 R CA 1.465 57.509 56.100 -0.094 0.000 0.963 498 R CB -0.167 30.049 30.300 -0.141 0.000 0.858 498 R HN 0.363 nan 8.270 nan 0.000 0.435 499 M N 0.474 120.026 119.600 -0.079 0.000 2.086 499 M HA -0.153 4.330 4.480 0.006 0.000 0.261 499 M C 1.887 178.171 176.300 -0.028 0.000 1.067 499 M CA 1.476 56.737 55.300 -0.065 0.000 1.116 499 M CB -0.649 31.917 32.600 -0.056 0.000 1.348 499 M HN 0.134 nan 8.290 nan 0.000 0.407 500 E N 0.144 120.333 120.200 -0.018 0.000 2.338 500 E HA -0.156 4.197 4.350 0.006 0.000 0.197 500 E C 1.752 178.357 176.600 0.009 0.000 1.007 500 E CA 0.582 56.980 56.400 -0.002 0.000 0.849 500 E CB -0.063 29.636 29.700 -0.002 0.000 0.774 500 E HN 0.403 nan 8.360 nan 0.000 0.506 501 E N -0.041 120.160 120.200 0.001 0.000 2.333 501 E HA -0.094 4.259 4.350 0.006 0.000 0.198 501 E C 0.923 177.555 176.600 0.054 0.000 1.007 501 E CA 1.057 57.467 56.400 0.016 0.000 0.845 501 E CB 0.201 29.897 29.700 -0.007 0.000 0.766 501 E HN 0.227 nan 8.360 nan 0.000 0.507 502 T N -3.376 111.213 114.554 0.058 0.000 3.339 502 T HA 0.296 4.649 4.350 0.006 0.000 0.292 502 T C 1.370 176.144 174.700 0.123 0.000 1.012 502 T CA 0.366 62.549 62.100 0.138 0.000 0.937 502 T CB 0.687 69.623 68.868 0.112 0.000 1.164 502 T HN 0.041 nan 8.240 nan 0.000 0.509 503 K N 1.704 122.141 120.400 0.062 0.000 2.077 503 K HA -0.176 4.148 4.320 0.006 0.000 0.213 503 K C 2.370 178.982 176.600 0.020 0.000 1.051 503 K CA 2.566 58.872 56.287 0.031 0.000 0.929 503 K CB -1.909 30.598 32.500 0.011 0.000 0.715 503 K HN 0.775 nan 8.250 nan 0.000 0.451 504 E N 0.025 120.221 120.200 -0.006 0.000 2.048 504 E HA -0.166 4.188 4.350 0.006 0.000 0.202 504 E C 1.921 178.429 176.600 -0.153 0.000 1.021 504 E CA 1.679 58.002 56.400 -0.128 0.000 0.825 504 E CB -0.946 28.594 29.700 -0.266 0.000 0.756 504 E HN 0.764 nan 8.360 nan 0.000 0.454 505 F N 0.645 120.592 119.950 -0.005 0.000 2.641 505 F HA 0.108 4.639 4.527 0.006 0.000 0.298 505 F C 1.732 177.526 175.800 -0.010 0.000 1.146 505 F CA 0.636 58.634 58.000 -0.004 0.000 1.464 505 F CB 0.191 39.190 39.000 -0.001 0.000 1.101 505 F HN 0.021 nan 8.300 nan 0.000 0.585 510 M N 1.911 121.475 119.600 -0.060 0.000 1.878 510 M HA 0.605 5.089 4.480 0.006 0.000 0.236 510 M C 0.386 176.774 176.300 0.147 0.000 1.315 510 M CA -0.412 54.879 55.300 -0.016 0.000 0.986 510 M CB -0.026 32.453 32.600 -0.201 0.000 1.324 510 M HN 0.653 nan 8.290 nan 0.000 0.474 511 I N -0.079 120.647 120.570 0.260 0.000 2.763 511 I HA 0.351 4.525 4.170 0.006 0.000 0.292 511 I C -1.723 174.527 176.117 0.222 0.000 1.610 511 I CA -0.511 60.943 61.300 0.256 0.000 1.002 511 I CB 1.878 39.952 38.000 0.122 0.000 1.416 511 I HN 0.785 nan 8.210 nan 0.000 0.479 512 K N 5.948 126.408 120.400 0.099 0.000 2.555 512 K HA 0.660 4.984 4.320 0.006 0.000 0.279 512 K C -3.075 173.497 176.600 -0.047 0.000 0.986 512 K CA -1.546 54.756 56.287 0.025 0.000 0.880 512 K CB 1.553 34.052 32.500 -0.002 0.000 1.474 512 K HN 0.228 nan 8.250 nan 0.000 0.433 513 P HA -0.006 nan 4.420 nan 0.000 0.270 513 P C -1.162 176.054 177.300 -0.141 0.000 1.223 513 P CA 0.181 63.228 63.100 -0.088 0.000 0.785 513 P CB 0.584 32.226 31.700 -0.098 0.000 0.923 514 E N -0.394 119.719 120.200 -0.145 0.000 2.413 514 E HA 0.376 4.730 4.350 0.006 0.000 0.277 514 E C -0.154 176.274 176.600 -0.286 0.000 0.958 514 E CA -0.996 55.293 56.400 -0.184 0.000 0.779 514 E CB 1.566 31.226 29.700 -0.067 0.000 1.278 514 E HN 0.106 nan 8.360 nan 0.000 0.456 515 V N -1.350 118.268 119.914 -0.493 0.000 3.212 515 V HA 0.205 4.329 4.120 0.006 0.000 0.244 515 V C 1.250 176.873 176.094 -0.785 0.000 1.151 515 V CA 1.371 63.212 62.300 -0.766 0.000 1.119 515 V CB -0.570 30.308 31.823 -1.574 0.000 0.838 515 V HN 0.906 nan 8.190 nan 0.000 0.470 516 E N -2.643 117.206 120.200 -0.585 0.000 2.701 516 E HA 0.106 4.460 4.350 0.006 0.000 0.201 516 E C 0.051 176.681 176.600 0.049 0.000 0.961 516 E CA -0.448 55.665 56.400 -0.478 0.000 1.659 516 E CB 0.210 29.670 29.700 -0.400 0.000 1.970 516 E HN 0.439 nan 8.360 nan 0.000 1.021 517 W N 2.859 124.092 121.300 -0.112 0.000 2.639 517 W HA 0.472 5.135 4.660 0.004 0.000 0.347 517 W C 0.116 176.589 176.519 -0.077 0.000 1.067 517 W CA -1.663 55.644 57.345 -0.063 0.000 1.218 517 W CB 0.986 30.401 29.460 -0.075 0.000 1.393 517 W HN 0.079 nan 8.180 nan 0.000 0.557 518 Q N 1.469 121.357 119.800 0.148 0.000 2.262 518 Q HA 0.264 4.608 4.340 0.006 0.000 0.298 518 Q C 0.972 176.912 176.000 -0.100 0.000 1.083 518 Q CA 1.597 57.405 55.803 0.008 0.000 0.962 518 Q CB 0.244 28.970 28.738 -0.020 0.000 1.104 518 Q HN 0.702 nan 8.270 nan 0.000 0.376 519 A N 3.762 126.456 122.820 -0.210 0.000 2.847 519 A HA -0.253 4.070 4.320 0.006 0.000 0.263 519 A C 0.678 178.108 177.584 -0.257 0.000 1.391 519 A CA 1.250 53.044 52.037 -0.405 0.000 0.866 519 A CB -2.230 16.224 19.000 -0.909 0.000 1.057 519 A HN 1.055 nan 8.150 nan 0.000 0.673 520 D N -1.393 118.920 120.400 -0.144 0.000 2.350 520 D HA 0.272 4.915 4.640 0.006 0.000 0.216 520 D C 1.740 177.929 176.300 -0.184 0.000 0.968 520 D CA 1.518 55.442 54.000 -0.126 0.000 0.894 520 D CB -0.788 39.938 40.800 -0.124 0.000 0.909 520 D HN 1.930 nan 8.370 nan 0.000 0.520 521 G N -0.804 107.873 108.800 -0.206 0.000 2.245 521 G HA2 -0.319 3.645 3.960 0.006 0.000 0.264 521 G HA3 -0.319 3.645 3.960 0.006 0.000 0.264 521 G C 0.575 175.344 174.900 -0.218 0.000 0.985 521 G CA 0.728 45.709 45.100 -0.197 0.000 0.625 521 G HN 0.549 nan 8.290 nan 0.000 0.536 522 T N 0.822 115.206 114.554 -0.283 0.000 2.926 522 T HA 0.525 4.879 4.350 0.006 0.000 0.307 522 T C 0.565 175.042 174.700 -0.371 0.000 1.059 522 T CA 0.532 62.432 62.100 -0.333 0.000 1.122 522 T CB 1.975 70.572 68.868 -0.452 0.000 0.972 522 T HN 1.574 nan 8.240 nan 0.000 0.545 523 V N 0.296 120.048 119.914 -0.269 0.000 3.206 523 V HA 0.864 4.988 4.120 0.006 0.000 0.305 523 V C -1.493 174.584 176.094 -0.028 0.000 1.257 523 V CA -1.331 60.862 62.300 -0.178 0.000 1.057 523 V CB 1.970 33.748 31.823 -0.075 0.000 1.075 523 V HN 0.660 nan 8.190 nan 0.000 0.443 524 L N 1.876 123.161 121.223 0.104 0.000 2.346 524 L HA 0.865 5.209 4.340 0.006 0.000 0.276 524 L C -1.141 175.814 176.870 0.141 0.000 1.006 524 L CA -0.616 54.370 54.840 0.243 0.000 0.817 524 L CB 1.461 43.774 42.059 0.423 0.000 1.272 524 L HN 0.867 nan 8.230 nan 0.000 0.421 525 L N 4.097 125.391 121.223 0.120 0.000 2.349 525 L HA 0.705 5.049 4.340 0.006 0.000 0.278 525 L C -0.808 176.105 176.870 0.071 0.000 0.996 525 L CA 0.203 55.092 54.840 0.081 0.000 0.825 525 L CB 1.917 44.014 42.059 0.065 0.000 1.243 525 L HN 0.732 nan 8.230 nan 0.000 0.412 526 T N 6.570 121.162 114.554 0.063 0.000 2.815 526 T HA 0.705 5.058 4.350 0.006 0.000 0.289 526 T C -0.297 174.432 174.700 0.049 0.000 1.000 526 T CA -0.477 61.657 62.100 0.057 0.000 0.958 526 T CB 1.020 69.926 68.868 0.064 0.000 0.944 526 T HN 0.696 nan 8.240 nan 0.000 0.442 527 M N 1.993 121.624 119.600 0.051 0.000 2.664 527 M HA 0.841 5.325 4.480 0.006 0.000 0.279 527 M C -2.040 174.330 176.300 0.117 0.000 1.275 527 M CA -1.215 54.117 55.300 0.053 0.000 0.829 527 M CB 2.507 35.097 32.600 -0.017 0.000 1.727 527 M HN 0.477 nan 8.290 nan 0.000 0.459 528 F N 2.095 122.022 119.950 -0.039 0.000 2.518 528 F HA 0.756 5.286 4.527 0.006 0.000 0.323 528 F C -2.326 173.458 175.800 -0.026 0.000 1.129 528 F CA -0.649 57.338 58.000 -0.022 0.000 0.920 528 F CB 1.520 40.510 39.000 -0.017 0.000 1.160 528 F HN 0.584 nan 8.300 nan 0.000 0.440 529 L N 7.189 127.986 121.223 -0.710 0.000 2.346 529 L HA 0.537 4.881 4.340 0.006 0.000 0.276 529 L C -2.276 174.082 176.870 -0.854 0.000 1.006 529 L CA -2.085 52.429 54.840 -0.544 0.000 0.817 529 L CB 1.962 43.891 42.059 -0.217 0.000 1.272 529 L HN 0.453 nan 8.230 nan 0.000 0.421 530 P HA 0.109 nan 4.420 nan 0.000 0.225 530 P C -0.368 176.844 177.300 -0.146 0.000 1.768 530 P CA 0.244 63.187 63.100 -0.262 0.000 0.943 530 P CB 0.178 31.868 31.700 -0.016 0.000 1.936 531 T N -1.268 113.177 114.554 -0.181 0.000 2.731 531 T HA 0.460 4.814 4.350 0.006 0.000 0.300 531 T C -0.496 174.166 174.700 -0.062 0.000 1.283 531 T CA -0.426 61.627 62.100 -0.078 0.000 1.005 531 T CB 0.751 69.592 68.868 -0.045 0.000 1.420 531 T HN 0.045 nan 8.240 nan 0.000 0.503 532 S N 1.098 116.785 115.700 -0.021 0.000 2.580 532 S HA 0.195 4.669 4.470 0.006 0.000 0.266 532 S C 1.475 176.075 174.600 -0.000 0.000 1.354 532 S CA 0.327 58.525 58.200 -0.004 0.000 1.008 532 S CB 0.505 63.711 63.200 0.010 0.000 0.898 532 S HN 0.983 nan 8.310 nan 0.000 0.555 533 K N 1.417 121.823 120.400 0.011 0.000 2.002 533 K HA -0.183 4.141 4.320 0.006 0.000 0.209 533 K C 2.285 178.913 176.600 0.048 0.000 1.048 533 K CA 1.118 57.414 56.287 0.015 0.000 0.930 533 K CB -0.434 32.075 32.500 0.015 0.000 0.714 533 K HN 0.589 nan 8.250 nan 0.000 0.438 534 R N 1.212 121.760 120.500 0.081 0.000 2.097 534 R HA -0.153 4.190 4.340 0.006 0.000 0.236 534 R C 2.261 178.720 176.300 0.265 0.000 1.135 534 R CA 2.094 58.298 56.100 0.174 0.000 0.934 534 R CB -0.597 29.796 30.300 0.155 0.000 0.846 534 R HN 0.163 nan 8.270 nan 0.000 0.431 535 V N 0.926 120.932 119.914 0.154 0.000 2.252 535 V HA -0.308 3.816 4.120 0.006 0.000 0.249 535 V C 2.461 178.642 176.094 0.146 0.000 1.056 535 V CA 2.076 64.459 62.300 0.139 0.000 1.022 535 V CB -1.036 30.819 31.823 0.053 0.000 0.641 535 V HN 0.627 nan 8.190 nan 0.000 0.445 536 A N -0.461 122.404 122.820 0.074 0.000 1.917 536 A HA -0.343 3.981 4.320 0.006 0.000 0.219 536 A C 2.286 179.900 177.584 0.049 0.000 1.182 536 A CA 2.390 54.446 52.037 0.031 0.000 0.633 536 A CB -0.601 18.377 19.000 -0.037 0.000 0.819 536 A HN 0.692 nan 8.150 nan 0.000 0.448 537 E N -1.022 119.199 120.200 0.035 0.000 2.023 537 E HA -0.207 4.147 4.350 0.006 0.000 0.196 537 E C 1.733 178.275 176.600 -0.097 0.000 1.003 537 E CA 1.621 57.974 56.400 -0.078 0.000 0.809 537 E CB -0.308 29.269 29.700 -0.205 0.000 0.755 537 E HN 0.622 nan 8.360 nan 0.000 0.449 538 F N 0.786 120.740 119.950 0.007 0.000 2.216 538 F HA -0.085 4.445 4.527 0.006 0.000 0.300 538 F C 2.414 178.216 175.800 0.002 0.000 1.085 538 F CA 0.787 58.788 58.000 0.001 0.000 1.326 538 F CB -0.432 38.563 39.000 -0.009 0.000 1.027 538 F HN 0.157 nan 8.300 nan 0.000 0.497 539 A N 0.346 123.278 122.820 0.187 0.000 1.877 539 A HA -0.126 4.198 4.320 0.006 0.000 0.216 539 A C 2.443 180.132 177.584 0.174 0.000 1.186 539 A CA 1.914 54.027 52.037 0.128 0.000 0.620 539 A CB -1.319 17.768 19.000 0.145 0.000 0.822 539 A HN 0.308 nan 8.150 nan 0.000 0.443 540 A N 0.072 122.999 122.820 0.179 0.000 1.902 540 A HA -0.056 4.267 4.320 0.006 0.000 0.217 540 A C 2.027 179.703 177.584 0.153 0.000 1.181 540 A CA 1.529 53.690 52.037 0.206 0.000 0.623 540 A CB -0.564 18.490 19.000 0.090 0.000 0.818 540 A HN 0.444 nan 8.150 nan 0.000 0.443 541 I N 0.187 120.795 120.570 0.062 0.000 2.113 541 I HA -0.255 3.918 4.170 0.006 0.000 0.242 541 I C 2.423 178.570 176.117 0.049 0.000 1.064 541 I CA 1.691 63.010 61.300 0.033 0.000 1.320 541 I CB -1.583 36.413 38.000 -0.007 0.000 1.028 541 I HN 0.332 nan 8.210 nan 0.000 0.406 542 E N 0.627 120.841 120.200 0.023 0.000 2.085 542 E HA -0.208 4.146 4.350 0.006 0.000 0.194 542 E C 2.237 178.795 176.600 -0.069 0.000 0.994 542 E CA 1.307 57.672 56.400 -0.057 0.000 0.801 542 E CB -0.499 29.113 29.700 -0.147 0.000 0.743 542 E HN 0.411 nan 8.360 nan 0.000 0.453 543 F N 1.019 120.984 119.950 0.023 0.000 2.095 543 F HA -0.194 4.336 4.527 0.006 0.000 0.298 543 F C 2.452 178.266 175.800 0.024 0.000 1.104 543 F CA 1.169 59.183 58.000 0.024 0.000 1.232 543 F CB -0.911 38.103 39.000 0.022 0.000 0.987 543 F HN 0.009 nan 8.300 nan 0.000 0.475 544 A N 0.015 122.962 122.820 0.211 0.000 1.865 544 A HA -0.254 4.070 4.320 0.006 0.000 0.217 544 A C 2.271 179.904 177.584 0.082 0.000 1.191 544 A CA 2.027 54.136 52.037 0.120 0.000 0.623 544 A CB -0.743 18.304 19.000 0.079 0.000 0.826 544 A HN 0.347 nan 8.150 nan 0.000 0.444 545 K N -0.509 119.925 120.400 0.057 0.000 2.063 545 K HA -0.134 4.190 4.320 0.006 0.000 0.208 545 K C 1.954 178.580 176.600 0.044 0.000 1.048 545 K CA 1.375 57.682 56.287 0.034 0.000 0.928 545 K CB -0.142 32.367 32.500 0.015 0.000 0.713 545 K HN 0.243 nan 8.250 nan 0.000 0.442 546 K N 0.391 120.822 120.400 0.052 0.000 2.280 546 K HA -0.038 4.285 4.320 0.006 0.000 0.202 546 K C 1.506 178.165 176.600 0.099 0.000 1.047 546 K CA 0.983 57.306 56.287 0.061 0.000 0.942 546 K CB 0.022 32.549 32.500 0.046 0.000 0.739 546 K HN 0.270 nan 8.250 nan 0.000 0.457 547 M N 1.210 120.881 119.600 0.117 0.000 2.631 547 M HA 0.052 4.536 4.480 0.006 0.000 0.241 547 M C -0.564 175.809 176.300 0.121 0.000 1.255 547 M CA -0.032 55.341 55.300 0.122 0.000 0.983 547 M CB -0.048 32.625 32.600 0.122 0.000 1.580 547 M HN 0.036 nan 8.290 nan 0.000 0.464 548 N N 0.610 119.371 118.700 0.101 0.000 2.741 548 N HA -0.150 4.593 4.740 0.006 0.000 0.250 548 N C -0.903 174.606 175.510 -0.001 0.000 1.115 548 N CA 0.810 53.916 53.050 0.093 0.000 0.724 548 N CB -1.772 36.849 38.487 0.223 0.000 1.090 548 N HN 0.435 nan 8.380 nan 0.000 0.558 549 L N 0.483 121.702 121.223 -0.007 0.000 2.312 549 L HA 0.531 4.875 4.340 0.006 0.000 0.281 549 L C 1.072 177.910 176.870 -0.054 0.000 1.070 549 L CA -0.324 54.483 54.840 -0.056 0.000 0.805 549 L CB 0.999 43.045 42.059 -0.022 0.000 1.174 549 L HN 0.231 nan 8.230 nan 0.000 0.434 550 E N 1.343 121.491 120.200 -0.087 0.000 2.222 550 E HA 0.537 4.891 4.350 0.006 0.000 0.272 550 E C 0.540 177.108 176.600 -0.054 0.000 0.982 550 E CA -0.065 56.296 56.400 -0.065 0.000 0.842 550 E CB 1.231 30.884 29.700 -0.078 0.000 1.144 550 E HN 0.809 nan 8.360 nan 0.000 0.397 551 E N -0.672 119.507 120.200 -0.036 0.000 2.416 551 E HA -0.064 4.290 4.350 0.006 0.000 0.249 551 E C 0.203 176.788 176.600 -0.025 0.000 1.124 551 E CA 0.746 57.128 56.400 -0.030 0.000 0.732 551 E CB -2.800 26.878 29.700 -0.037 0.000 1.286 551 E HN 1.296 nan 8.360 nan 0.000 0.394 552 V N 0.381 120.284 119.914 -0.018 0.000 2.655 552 V HA 0.467 4.590 4.120 0.006 0.000 0.300 552 V C 0.683 176.767 176.094 -0.017 0.000 1.044 552 V CA 0.852 63.145 62.300 -0.011 0.000 1.095 552 V CB 1.251 33.072 31.823 -0.005 0.000 0.952 552 V HN 0.638 nan 8.190 nan 0.000 0.485 553 E N 3.004 123.197 120.200 -0.012 0.000 2.304 553 E HA 0.387 4.741 4.350 0.006 0.000 0.277 553 E C -1.474 175.106 176.600 -0.032 0.000 0.898 553 E CA -0.874 55.508 56.400 -0.031 0.000 0.764 553 E CB 2.248 31.933 29.700 -0.025 0.000 1.216 553 E HN 0.350 nan 8.360 nan 0.000 0.419 554 V N 4.208 124.082 119.914 -0.068 0.000 2.529 554 V HA 0.022 4.146 4.120 0.006 0.000 0.292 554 V C 1.103 177.160 176.094 -0.062 0.000 1.028 554 V CA 0.614 62.872 62.300 -0.069 0.000 1.074 554 V CB 0.026 31.779 31.823 -0.117 0.000 0.958 554 V HN 0.749 nan 8.190 nan 0.000 0.481 555 I N 1.069 121.608 120.570 -0.051 0.000 4.240 555 I HA 0.512 4.686 4.170 0.006 0.000 0.331 555 I C 0.273 176.342 176.117 -0.080 0.000 1.381 555 I CA 0.018 61.277 61.300 -0.068 0.000 1.136 555 I CB 0.663 38.618 38.000 -0.075 0.000 1.137 555 I HN 0.612 nan 8.210 nan 0.000 0.411 556 N N 1.853 120.515 118.700 -0.062 0.000 2.537 556 N HA 0.401 5.145 4.740 0.006 0.000 0.281 556 N C -1.618 173.871 175.510 -0.036 0.000 1.097 556 N CA -0.434 52.583 53.050 -0.056 0.000 0.964 556 N CB 1.732 40.180 38.487 -0.064 0.000 1.588 556 N HN 0.180 nan 8.380 nan 0.000 0.511 557 R N 1.824 122.305 120.500 -0.031 0.000 2.445 557 R HA 0.590 4.934 4.340 0.006 0.000 0.308 557 R C -0.721 175.576 176.300 -0.005 0.000 0.961 557 R CA -0.723 55.367 56.100 -0.016 0.000 0.862 557 R CB 1.957 32.245 30.300 -0.019 0.000 1.144 557 R HN 0.459 nan 8.270 nan 0.000 0.447 558 E N 1.636 121.844 120.200 0.013 0.000 2.272 558 E HA 0.261 4.615 4.350 0.006 0.000 0.269 558 E C -1.017 175.607 176.600 0.041 0.000 0.877 558 E CA -0.945 55.468 56.400 0.022 0.000 0.755 558 E CB 2.839 32.553 29.700 0.024 0.000 1.192 558 E HN 0.171 nan 8.360 nan 0.000 0.422 559 V N 4.780 124.716 119.914 0.037 0.000 2.408 559 V HA 0.012 4.136 4.120 0.006 0.000 0.267 559 V C 1.156 177.291 176.094 0.069 0.000 1.047 559 V CA -0.160 62.169 62.300 0.048 0.000 0.937 559 V CB 0.642 32.484 31.823 0.033 0.000 0.999 559 V HN 0.786 nan 8.190 nan 0.000 0.472 560 M N 1.855 121.526 119.600 0.118 0.000 2.081 560 M HA 0.071 4.554 4.480 0.006 0.000 0.261 560 M C 0.800 177.156 176.300 0.093 0.000 1.075 560 M CA 1.553 56.931 55.300 0.129 0.000 1.133 560 M CB -0.398 32.350 32.600 0.248 0.000 1.330 560 M HN 0.683 nan 8.290 nan 0.000 0.414 561 Q N -0.141 119.721 119.800 0.102 0.000 2.352 561 Q HA 0.131 4.474 4.340 0.006 0.000 0.270 561 Q C 0.079 176.111 176.000 0.054 0.000 1.006 561 Q CA -0.028 55.815 55.803 0.066 0.000 0.880 561 Q CB 2.352 31.128 28.738 0.063 0.000 1.392 561 Q HN 0.401 nan 8.270 nan 0.000 0.401 562 E N 2.320 122.542 120.200 0.036 0.000 2.132 562 E HA -0.338 4.016 4.350 0.006 0.000 0.218 562 E C 1.033 177.647 176.600 0.024 0.000 1.058 562 E CA 2.591 59.007 56.400 0.026 0.000 0.882 562 E CB 0.187 29.899 29.700 0.020 0.000 0.774 562 E HN 0.659 nan 8.360 nan 0.000 0.467 563 A N 0.299 123.136 122.820 0.028 0.000 1.903 563 A HA -0.071 4.253 4.320 0.006 0.000 0.213 563 A C 1.978 179.584 177.584 0.036 0.000 1.185 563 A CA 0.930 52.982 52.037 0.026 0.000 0.628 563 A CB -0.215 18.800 19.000 0.025 0.000 0.830 563 A HN 0.175 nan 8.150 nan 0.000 0.446 564 E N -0.325 119.914 120.200 0.064 0.000 2.204 564 E HA 0.190 4.544 4.350 0.006 0.000 0.194 564 E C 0.946 177.643 176.600 0.162 0.000 0.989 564 E CA 0.961 57.426 56.400 0.108 0.000 0.824 564 E CB -0.077 29.696 29.700 0.120 0.000 0.756 564 E HN 0.641 nan 8.360 nan 0.000 0.477 565 G N -1.359 107.504 108.800 0.105 0.000 2.336 565 G HA2 0.196 4.159 3.960 0.006 0.000 0.300 565 G HA3 0.196 4.159 3.960 0.006 0.000 0.300 565 G C -1.158 173.739 174.900 -0.006 0.000 1.375 565 G CA -0.537 44.522 45.100 -0.068 0.000 0.885 565 G HN -0.085 nan 8.290 nan 0.000 0.599 566 T N 0.167 114.556 114.554 -0.275 0.000 3.071 566 T HA 0.532 4.885 4.350 0.006 0.000 0.311 566 T C -0.060 174.633 174.700 -0.012 0.000 1.042 566 T CA -0.664 61.396 62.100 -0.067 0.000 1.028 566 T CB 1.792 70.608 68.868 -0.086 0.000 1.068 566 T HN 0.752 nan 8.240 nan 0.000 0.451 567 R N 3.687 124.268 120.500 0.135 0.000 2.438 567 R HA 0.516 4.860 4.340 0.006 0.000 0.287 567 R C -0.828 175.503 176.300 0.052 0.000 1.077 567 R CA -0.224 55.962 56.100 0.143 0.000 1.034 567 R CB 0.298 30.676 30.300 0.130 0.000 0.993 567 R HN 0.413 nan 8.270 nan 0.000 0.459 568 I N 3.562 124.158 120.570 0.043 0.000 2.533 568 I HA 0.292 4.465 4.170 0.006 0.000 0.290 568 I C -0.693 175.438 176.117 0.023 0.000 1.056 568 I CA -0.600 60.709 61.300 0.015 0.000 1.057 568 I CB 2.092 40.092 38.000 -0.001 0.000 1.240 568 I HN 0.770 nan 8.210 nan 0.000 0.423 569 E N 5.860 126.066 120.200 0.010 0.000 2.210 569 E HA 0.690 5.043 4.350 0.006 0.000 0.266 569 E C -1.523 175.088 176.600 0.018 0.000 0.883 569 E CA -0.711 55.701 56.400 0.020 0.000 0.761 569 E CB 2.869 32.573 29.700 0.006 0.000 1.156 569 E HN 0.258 nan 8.360 nan 0.000 0.412 570 L N 2.651 123.902 121.223 0.047 0.000 2.408 570 L HA 0.396 4.740 4.340 0.006 0.000 0.268 570 L C -0.539 176.393 176.870 0.103 0.000 0.986 570 L CA -0.874 53.997 54.840 0.051 0.000 0.820 570 L CB 1.567 43.650 42.059 0.039 0.000 1.303 570 L HN 0.390 nan 8.230 nan 0.000 0.411 571 K N 0.814 121.283 120.400 0.115 0.000 2.172 571 K HA 0.878 5.202 4.320 0.006 0.000 0.276 571 K C -0.216 176.420 176.600 0.060 0.000 1.013 571 K CA -0.434 55.951 56.287 0.163 0.000 0.913 571 K CB 1.661 34.322 32.500 0.269 0.000 1.055 571 K HN 0.679 nan 8.250 nan 0.000 0.461 572 G N 1.883 110.692 108.800 0.016 0.000 2.696 572 G HA2 0.379 4.343 3.960 0.006 0.000 0.295 572 G HA3 0.379 4.343 3.960 0.006 0.000 0.295 572 G C -1.732 173.119 174.900 -0.083 0.000 1.398 572 G CA -1.196 43.887 45.100 -0.028 0.000 0.920 572 G HN 0.683 nan 8.290 nan 0.000 0.492 573 R N 1.377 121.816 120.500 -0.102 0.000 2.255 573 R HA 0.538 4.882 4.340 0.006 0.000 0.326 573 R C -0.680 175.500 176.300 -0.199 0.000 0.986 573 R CA -0.468 55.544 56.100 -0.147 0.000 0.847 573 R CB 1.359 31.579 30.300 -0.132 0.000 1.111 573 R HN 0.263 nan 8.270 nan 0.000 0.452 574 V N 8.117 127.886 119.914 -0.241 0.000 2.479 574 V HA 0.123 4.247 4.120 0.006 0.000 0.281 574 V C -1.239 174.550 176.094 -0.509 0.000 1.031 574 V CA -1.197 60.850 62.300 -0.421 0.000 1.038 574 V CB 1.467 33.120 31.823 -0.283 0.000 0.981 574 V HN 0.892 nan 8.190 nan 0.000 0.478 575 P HA 0.017 nan 4.420 nan 0.000 0.236 575 P C -0.131 176.988 177.300 -0.303 0.000 1.177 575 P CA 0.701 63.526 63.100 -0.459 0.000 0.773 575 P CB 0.146 31.621 31.700 -0.376 0.000 0.878 576 F N -1.375 118.595 119.950 0.033 0.000 2.639 576 F HA 0.755 5.282 4.527 0.000 0.000 0.339 576 F C 0.214 176.060 175.800 0.076 0.000 1.071 576 F CA -1.766 56.266 58.000 0.052 0.000 0.994 576 F CB 0.082 39.104 39.000 0.037 0.000 1.341 576 F HN -0.404 nan 8.300 nan 0.000 0.498 577 S N 0.924 116.847 115.700 0.371 0.000 2.638 577 S HA 0.735 5.209 4.470 0.006 0.000 0.302 577 S C -1.272 173.444 174.600 0.193 0.000 1.096 577 S CA -0.605 57.772 58.200 0.295 0.000 0.953 577 S CB 2.041 65.441 63.200 0.334 0.000 1.107 577 S HN 0.437 nan 8.310 nan 0.000 0.503 578 I N 2.415 123.075 120.570 0.151 0.000 2.410 578 I HA 0.288 4.462 4.170 0.006 0.000 0.286 578 I C -0.315 175.835 176.117 0.054 0.000 1.009 578 I CA -0.778 60.567 61.300 0.076 0.000 1.111 578 I CB 1.370 39.408 38.000 0.063 0.000 1.262 578 I HN 0.665 nan 8.210 nan 0.000 0.443 579 D N 6.226 126.639 120.400 0.022 0.000 2.417 579 D HA 0.045 4.689 4.640 0.006 0.000 0.250 579 D C 1.289 177.593 176.300 0.006 0.000 1.166 579 D CA -0.110 53.893 54.000 0.005 0.000 0.881 579 D CB 1.094 41.887 40.800 -0.012 0.000 1.164 579 D HN 0.247 nan 8.370 nan 0.000 0.467 580 I N 3.674 124.249 120.570 0.007 0.000 2.567 580 I HA -0.210 3.963 4.170 0.006 0.000 0.257 580 I C 1.553 177.669 176.117 -0.002 0.000 1.184 580 I CA 0.740 62.044 61.300 0.006 0.000 1.451 580 I CB -0.728 37.276 38.000 0.006 0.000 1.089 580 I HN 0.479 nan 8.210 nan 0.000 0.441 581 N N 0.479 119.175 118.700 -0.007 0.000 2.376 581 N HA -0.055 4.689 4.740 0.006 0.000 0.177 581 N C 1.708 177.212 175.510 -0.011 0.000 1.024 581 N CA 1.026 54.070 53.050 -0.010 0.000 0.893 581 N CB -0.076 38.403 38.487 -0.013 0.000 0.980 581 N HN 0.350 nan 8.380 nan 0.000 0.439 582 S N 0.253 115.946 115.700 -0.011 0.000 2.660 582 S HA 0.113 4.587 4.470 0.006 0.000 0.228 582 S C 0.720 175.312 174.600 -0.013 0.000 0.966 582 S CA -0.045 58.147 58.200 -0.014 0.000 0.940 582 S CB -0.501 62.689 63.200 -0.017 0.000 0.773 582 S HN 0.144 nan 8.310 nan 0.000 0.535 583 L N 2.292 123.510 121.223 -0.009 0.000 2.276 583 L HA 0.393 4.737 4.340 0.006 0.000 0.286 583 L C -0.619 176.246 176.870 -0.008 0.000 1.061 583 L CA -0.790 54.045 54.840 -0.008 0.000 0.807 583 L CB 1.589 43.645 42.059 -0.004 0.000 1.177 583 L HN 0.043 nan 8.230 nan 0.000 0.429 584 V N 5.505 125.414 119.914 -0.009 0.000 2.304 584 V HA 0.328 4.452 4.120 0.006 0.000 0.262 584 V C 0.254 176.344 176.094 -0.007 0.000 1.061 584 V CA -0.195 62.100 62.300 -0.009 0.000 0.872 584 V CB 0.288 32.105 31.823 -0.010 0.000 1.077 584 V HN 0.477 nan 8.190 nan 0.000 0.480 585 I N 6.266 126.832 120.570 -0.006 0.000 2.355 585 I HA 0.445 4.619 4.170 0.006 0.000 0.288 585 I C -2.266 173.849 176.117 -0.004 0.000 0.999 585 I CA -1.734 59.564 61.300 -0.004 0.000 1.163 585 I CB 1.994 39.992 38.000 -0.004 0.000 1.316 585 I HN 0.432 nan 8.210 nan 0.000 0.454 586 P HA 0.393 nan 4.420 nan 0.000 0.292 586 P C -2.038 175.261 177.300 -0.001 0.000 1.326 586 P CA -0.858 62.241 63.100 -0.003 0.000 0.787 586 P CB 0.045 31.743 31.700 -0.003 0.000 0.903 592 L N 5.090 126.313 121.223 -0.000 0.000 2.275 592 L HA 0.615 4.959 4.340 0.006 0.000 0.288 592 L C 0.633 177.476 176.870 -0.045 0.000 1.046 592 L CA -0.362 54.462 54.840 -0.026 0.000 0.805 592 L CB 1.621 43.656 42.059 -0.040 0.000 1.193 592 L HN 0.780 nan 8.230 nan 0.000 0.426 593 S N 1.186 116.859 115.700 -0.046 0.000 2.624 593 S HA 0.240 4.714 4.470 0.006 0.000 0.263 593 S C 1.159 175.710 174.600 -0.081 0.000 1.287 593 S CA 0.004 58.179 58.200 -0.042 0.000 0.990 593 S CB 1.248 64.434 63.200 -0.023 0.000 0.950 593 S HN 0.689 nan 8.310 nan 0.000 0.561 594 E N 0.307 120.484 120.200 -0.038 0.000 2.204 594 E HA -0.153 4.201 4.350 0.006 0.000 0.195 594 E C 1.307 177.896 176.600 -0.019 0.000 0.990 594 E CA 1.672 58.056 56.400 -0.027 0.000 0.821 594 E CB -1.039 28.748 29.700 0.144 0.000 0.750 594 E HN 0.752 nan 8.360 nan 0.000 0.477 595 D N -0.456 119.941 120.400 -0.006 0.000 2.162 595 D HA 0.027 4.671 4.640 0.006 0.000 0.203 595 D C 2.259 178.544 176.300 -0.025 0.000 0.967 595 D CA 1.628 55.628 54.000 0.000 0.000 0.840 595 D CB -0.213 40.592 40.800 0.008 0.000 0.972 595 D HN 0.645 nan 8.370 nan 0.000 0.482 596 E N 0.811 120.985 120.200 -0.044 0.000 2.152 596 E HA -0.017 4.336 4.350 0.006 0.000 0.192 596 E C 2.113 178.668 176.600 -0.075 0.000 0.983 596 E CA 0.434 56.805 56.400 -0.048 0.000 0.818 596 E CB -0.707 28.968 29.700 -0.042 0.000 0.758 596 E HN 0.297 nan 8.360 nan 0.000 0.467 597 I N -0.573 119.916 120.570 -0.134 0.000 2.500 597 I HA -0.039 4.134 4.170 0.006 0.000 0.252 597 I C 2.820 178.849 176.117 -0.148 0.000 1.142 597 I CA 0.990 62.174 61.300 -0.194 0.000 1.451 597 I CB -0.034 37.734 38.000 -0.387 0.000 1.093 597 I HN 0.183 nan 8.210 nan 0.000 0.430 598 R N 1.289 121.732 120.500 -0.095 0.000 2.115 598 R HA -0.154 4.190 4.340 0.006 0.000 0.226 598 R C 2.441 178.746 176.300 0.007 0.000 1.100 598 R CA 1.631 57.739 56.100 0.013 0.000 0.980 598 R CB -0.102 30.247 30.300 0.081 0.000 0.875 598 R HN 0.400 nan 8.270 nan 0.000 0.445 599 E N 0.956 121.150 120.200 -0.011 0.000 2.028 599 E HA -0.241 4.112 4.350 0.006 0.000 0.191 599 E C 1.536 178.130 176.600 -0.010 0.000 0.988 599 E CA 1.557 57.953 56.400 -0.006 0.000 0.799 599 E CB -1.031 28.663 29.700 -0.010 0.000 0.755 599 E HN 0.546 nan 8.360 nan 0.000 0.447 600 D N -0.486 119.901 120.400 -0.022 0.000 2.271 600 D HA -0.095 4.549 4.640 0.006 0.000 0.207 600 D C 1.607 177.898 176.300 -0.015 0.000 0.983 600 D CA 1.225 55.212 54.000 -0.022 0.000 0.878 600 D CB -0.161 40.618 40.800 -0.035 0.000 0.920 600 D HN 0.554 nan 8.370 nan 0.000 0.479 601 I N -0.825 119.741 120.570 -0.007 0.000 3.462 601 I HA 0.103 4.277 4.170 0.006 0.000 0.290 601 I C 2.499 178.624 176.117 0.014 0.000 1.236 601 I CA 0.730 62.033 61.300 0.006 0.000 1.418 601 I CB -0.144 37.868 38.000 0.021 0.000 1.102 601 I HN 0.048 nan 8.210 nan 0.000 0.441 602 E N 1.853 122.061 120.200 0.013 0.000 2.216 602 E HA -0.121 4.232 4.350 0.006 0.000 0.192 602 E C 1.994 178.600 176.600 0.009 0.000 0.988 602 E CA 0.816 57.224 56.400 0.014 0.000 0.834 602 E CB -0.319 29.390 29.700 0.015 0.000 0.772 602 E HN 0.505 nan 8.360 nan 0.000 0.479 603 K N -0.548 119.855 120.400 0.005 0.000 2.284 603 K HA 0.088 4.411 4.320 0.006 0.000 0.198 603 K C -0.060 176.541 176.600 0.002 0.000 1.048 603 K CA 0.986 57.275 56.287 0.002 0.000 0.987 603 K CB 0.852 33.351 32.500 -0.001 0.000 0.800 603 K HN 0.206 nan 8.250 nan 0.000 0.486 604 T N 2.584 117.139 114.554 0.002 0.000 3.078 604 T HA 0.240 4.594 4.350 0.006 0.000 0.328 604 T C -2.803 171.900 174.700 0.005 0.000 0.987 604 T CA -1.528 60.573 62.100 0.002 0.000 1.049 604 T CB 1.817 70.683 68.868 -0.004 0.000 1.011 604 T HN -0.190 nan 8.240 nan 0.000 0.463 605 P HA 0.090 nan 4.420 nan 0.000 0.266 605 P C -0.861 176.449 177.300 0.017 0.000 1.180 605 P CA -0.472 62.639 63.100 0.018 0.000 0.765 605 P CB 0.418 32.131 31.700 0.022 0.000 0.806 606 L N 3.223 124.461 121.223 0.025 0.000 2.471 606 L HA 0.410 4.754 4.340 0.006 0.000 0.263 606 L C -0.397 176.500 176.870 0.045 0.000 0.985 606 L CA -0.445 54.408 54.840 0.023 0.000 0.868 606 L CB 0.724 42.789 42.059 0.011 0.000 1.203 606 L HN 0.165 nan 8.230 nan 0.000 0.429 607 K N 3.959 124.391 120.400 0.053 0.000 2.118 607 K HA 0.779 5.103 4.320 0.006 0.000 0.254 607 K C -1.462 175.191 176.600 0.088 0.000 0.961 607 K CA -0.728 55.615 56.287 0.093 0.000 0.876 607 K CB 1.504 34.056 32.500 0.087 0.000 1.077 607 K HN 0.585 nan 8.250 nan 0.000 0.440 608 I N 2.689 123.341 120.570 0.136 0.000 2.680 608 I HA 0.136 4.310 4.170 0.006 0.000 0.291 608 I C -1.020 175.194 176.117 0.162 0.000 1.244 608 I CA -0.729 60.645 61.300 0.123 0.000 1.042 608 I CB 2.137 40.204 38.000 0.111 0.000 1.277 608 I HN 0.347 nan 8.210 nan 0.000 0.423 609 V N 2.917 122.907 119.914 0.127 0.000 2.532 609 V HA 1.027 5.151 4.120 0.006 0.000 0.295 609 V C -0.115 176.072 176.094 0.156 0.000 1.041 609 V CA -0.457 61.930 62.300 0.145 0.000 0.926 609 V CB 1.252 33.127 31.823 0.086 0.000 0.992 609 V HN 0.893 nan 8.190 nan 0.000 0.457 610 A N 3.003 125.942 122.820 0.199 0.000 2.515 610 A HA 1.079 5.402 4.320 0.006 0.000 0.298 610 A C -0.306 177.440 177.584 0.270 0.000 1.059 610 A CA -0.159 52.014 52.037 0.227 0.000 0.698 610 A CB 1.837 20.975 19.000 0.231 0.000 1.289 610 A HN 2.533 nan 8.150 nan 0.000 0.404 611 A N 0.216 123.167 122.820 0.218 0.000 2.601 611 A HA 0.778 5.101 4.320 0.006 0.000 0.291 611 A C -0.603 177.076 177.584 0.159 0.000 1.075 611 A CA -0.361 51.767 52.037 0.151 0.000 0.671 611 A CB 0.719 19.727 19.000 0.014 0.000 1.277 611 A HN 1.027 nan 8.150 nan 0.000 0.417 612 T N 1.357 115.990 114.554 0.132 0.000 2.762 612 T HA 0.441 4.795 4.350 0.006 0.000 0.303 612 T C -0.078 174.668 174.700 0.076 0.000 0.977 612 T CA -0.053 62.118 62.100 0.119 0.000 0.961 612 T CB 0.605 69.556 68.868 0.138 0.000 0.944 612 T HN 0.892 nan 8.240 nan 0.000 0.481 613 V N 4.032 123.990 119.914 0.074 0.000 2.732 613 V HA 0.742 4.865 4.120 0.006 0.000 0.297 613 V C 0.834 176.962 176.094 0.058 0.000 1.060 613 V CA 1.519 63.854 62.300 0.058 0.000 1.038 613 V CB 0.611 32.470 31.823 0.060 0.000 1.003 613 V HN 1.198 nan 8.190 nan 0.000 0.481 614 G N 4.922 113.750 108.800 0.047 0.000 2.428 614 G HA2 -0.131 3.833 3.960 0.006 0.000 0.202 614 G HA3 -0.131 3.833 3.960 0.006 0.000 0.202 614 G C -0.302 174.622 174.900 0.041 0.000 1.247 614 G CA -0.027 45.102 45.100 0.047 0.000 1.020 614 G HN 0.758 nan 8.290 nan 0.000 0.529 615 E N 1.420 121.646 120.200 0.044 0.000 2.069 615 E HA 0.361 4.715 4.350 0.006 0.000 0.254 615 E C -1.073 175.558 176.600 0.052 0.000 1.088 615 E CA -0.214 56.208 56.400 0.038 0.000 1.017 615 E CB 0.552 30.271 29.700 0.031 0.000 1.226 615 E HN 0.378 nan 8.360 nan 0.000 0.458 616 D N 1.119 121.553 120.400 0.056 0.000 2.879 616 D HA 0.142 4.785 4.640 0.006 0.000 0.236 616 D C 0.131 176.460 176.300 0.047 0.000 1.171 616 D CA -0.375 53.680 54.000 0.092 0.000 0.868 616 D CB 1.450 42.324 40.800 0.123 0.000 1.598 616 D HN 0.045 nan 8.370 nan 0.000 0.497 617 E N 1.163 121.352 120.200 -0.018 0.000 2.526 617 E HA 0.044 4.398 4.350 0.006 0.000 0.208 617 E C -0.281 176.240 176.600 -0.132 0.000 0.997 617 E CA 0.002 56.340 56.400 -0.103 0.000 0.961 617 E CB 0.036 29.631 29.700 -0.174 0.000 1.030 617 E HN 0.466 nan 8.360 nan 0.000 0.483 618 H N 0.734 119.823 119.070 0.032 0.000 3.160 618 H HA 0.061 4.621 4.556 0.006 0.000 0.257 618 H C 1.381 176.738 175.328 0.049 0.000 1.140 618 H CA 0.381 56.449 56.048 0.032 0.000 1.492 618 H CB 0.480 30.254 29.762 0.020 0.000 1.529 618 H HN -0.024 nan 8.280 nan 0.000 0.490 619 S N 1.124 116.896 115.700 0.121 0.000 2.497 619 S HA -0.044 4.429 4.470 0.006 0.000 0.221 619 S C 1.842 176.491 174.600 0.081 0.000 1.037 619 S CA 0.165 58.438 58.200 0.121 0.000 0.920 619 S CB -0.044 63.229 63.200 0.121 0.000 0.800 619 S HN 0.338 nan 8.310 nan 0.000 0.505 620 V N 2.700 122.656 119.914 0.070 0.000 2.343 620 V HA -0.051 4.073 4.120 0.006 0.000 0.247 620 V C 2.909 179.022 176.094 0.031 0.000 1.051 620 V CA 1.947 64.272 62.300 0.041 0.000 1.036 620 V CB -1.756 30.096 31.823 0.049 0.000 0.654 620 V HN 0.622 nan 8.190 nan 0.000 0.451 621 G N 0.195 109.023 108.800 0.047 0.000 2.514 621 G HA2 -0.309 3.654 3.960 0.006 0.000 0.217 621 G HA3 -0.309 3.654 3.960 0.006 0.000 0.217 621 G C 1.578 176.488 174.900 0.017 0.000 1.198 621 G CA 1.421 46.541 45.100 0.034 0.000 0.780 621 G HN 0.430 nan 8.290 nan 0.000 0.565 622 L N 0.685 121.922 121.223 0.023 0.000 2.012 622 L HA 0.006 4.349 4.340 0.006 0.000 0.210 622 L C 2.906 179.728 176.870 -0.080 0.000 1.073 622 L CA 1.806 56.644 54.840 -0.004 0.000 0.748 622 L CB -0.528 41.559 42.059 0.045 0.000 0.891 622 L HN 0.171 nan 8.230 nan 0.000 0.431 623 R N -0.702 119.733 120.500 -0.109 0.000 2.241 623 R HA -0.107 4.236 4.340 0.006 0.000 0.224 623 R C 1.854 178.099 176.300 -0.091 0.000 1.101 623 R CA 0.790 56.793 56.100 -0.161 0.000 0.995 623 R CB -0.199 30.010 30.300 -0.152 0.000 0.870 623 R HN 0.408 nan 8.270 nan 0.000 0.463 624 E N 0.190 120.367 120.200 -0.038 0.000 2.216 624 E HA -0.089 4.264 4.350 0.006 0.000 0.192 624 E C 1.897 178.485 176.600 -0.020 0.000 0.988 624 E CA 1.128 57.529 56.400 0.002 0.000 0.834 624 E CB 0.171 29.892 29.700 0.035 0.000 0.772 624 E HN 0.308 nan 8.360 nan 0.000 0.479 625 V N -2.200 117.686 119.914 -0.047 0.000 3.649 625 V HA 0.185 4.309 4.120 0.006 0.000 0.275 625 V C 1.621 177.671 176.094 -0.074 0.000 1.281 625 V CA 0.413 62.675 62.300 -0.064 0.000 1.143 625 V CB -0.236 31.535 31.823 -0.088 0.000 0.892 625 V HN 0.027 nan 8.190 nan 0.000 0.441 626 I N -0.749 119.765 120.570 -0.093 0.000 3.366 626 I HA 0.256 4.429 4.170 0.006 0.000 0.267 626 I C 0.515 176.558 176.117 -0.124 0.000 1.149 626 I CA -0.074 61.161 61.300 -0.109 0.000 1.436 626 I CB 0.070 37.982 38.000 -0.147 0.000 1.379 626 I HN 0.170 nan 8.210 nan 0.000 0.460 627 D N 1.810 122.129 120.400 -0.136 0.000 2.478 627 D HA -0.041 4.603 4.640 0.006 0.000 0.234 627 D C 1.033 177.251 176.300 -0.137 0.000 1.154 627 D CA 0.561 54.480 54.000 -0.136 0.000 0.874 627 D CB 1.180 41.897 40.800 -0.138 0.000 1.198 627 D HN 0.165 nan 8.370 nan 0.000 0.455 628 I N 1.276 121.760 120.570 -0.144 0.000 2.928 628 I HA -0.198 3.976 4.170 0.006 0.000 0.266 628 I C 1.979 178.002 176.117 -0.156 0.000 1.234 628 I CA 0.687 61.891 61.300 -0.160 0.000 1.483 628 I CB 0.167 38.079 38.000 -0.147 0.000 1.097 628 I HN 0.205 nan 8.210 nan 0.000 0.455 629 K N 1.156 121.449 120.400 -0.178 0.000 2.074 629 K HA -0.239 4.085 4.320 0.006 0.000 0.209 629 K C 0.800 177.246 176.600 -0.256 0.000 1.048 629 K CA 1.961 58.097 56.287 -0.251 0.000 0.926 629 K CB -0.411 31.880 32.500 -0.348 0.000 0.713 629 K HN 0.539 nan 8.250 nan 0.000 0.444 630 H N -1.823 117.195 119.070 -0.086 0.000 2.502 630 H HA 0.302 4.862 4.556 0.006 0.000 0.268 630 H C 0.105 175.374 175.328 -0.098 0.000 1.177 630 H CA -0.200 55.801 56.048 -0.078 0.000 0.961 630 H CB 0.626 30.353 29.762 -0.059 0.000 1.737 630 H HN 0.472 nan 8.280 nan 0.000 0.569 631 G N 0.595 109.373 108.800 -0.037 0.000 2.143 631 G HA2 -0.271 3.692 3.960 0.006 0.000 0.248 631 G HA3 -0.271 3.692 3.960 0.006 0.000 0.248 631 G C 0.784 175.577 174.900 -0.179 0.000 0.991 631 G CA 0.016 45.042 45.100 -0.123 0.000 0.689 631 G HN 0.692 nan 8.290 nan 0.000 0.522 632 G N -0.296 108.409 108.800 -0.157 0.000 2.683 632 G HA2 0.523 4.486 3.960 0.006 0.000 0.260 632 G HA3 0.523 4.486 3.960 0.006 0.000 0.260 632 G C 1.496 176.280 174.900 -0.193 0.000 1.238 632 G CA -0.119 44.900 45.100 -0.136 0.000 0.934 632 G HN 1.110 nan 8.290 nan 0.000 0.534 633 I N -2.909 117.611 120.570 -0.083 0.000 2.546 633 I HA 0.009 4.182 4.170 0.006 0.000 0.255 633 I C 1.936 178.028 176.117 -0.043 0.000 1.163 633 I CA 1.345 62.647 61.300 0.004 0.000 1.457 633 I CB -0.303 37.732 38.000 0.058 0.000 1.092 633 I HN 0.587 nan 8.210 nan 0.000 0.434 634 E N 1.891 122.037 120.200 -0.090 0.000 2.114 634 E HA -0.296 4.058 4.350 0.006 0.000 0.199 634 E C 2.135 178.659 176.600 -0.128 0.000 1.008 634 E CA 1.634 57.980 56.400 -0.090 0.000 0.810 634 E CB -0.123 29.514 29.700 -0.106 0.000 0.739 634 E HN 0.493 nan 8.360 nan 0.000 0.456 635 K N -0.110 120.133 120.400 -0.262 0.000 2.160 635 K HA -0.192 4.132 4.320 0.006 0.000 0.206 635 K C 1.174 177.601 176.600 -0.288 0.000 1.047 635 K CA 1.285 57.348 56.287 -0.372 0.000 0.930 635 K CB -0.011 32.093 32.500 -0.660 0.000 0.720 635 K HN 0.195 nan 8.250 nan 0.000 0.450 636 Y N -0.910 119.376 120.300 -0.025 0.000 2.457 636 Y HA 0.201 4.755 4.550 0.006 0.000 0.263 636 Y C 1.570 177.460 175.900 -0.016 0.000 1.164 636 Y CA 0.288 58.377 58.100 -0.019 0.000 1.274 636 Y CB 0.785 39.233 38.460 -0.021 0.000 1.097 636 Y HN 0.332 nan 8.280 nan 0.000 0.523 637 G N -0.708 108.146 108.800 0.091 0.000 2.213 637 G HA2 -0.270 3.694 3.960 0.006 0.000 0.226 637 G HA3 -0.270 3.694 3.960 0.006 0.000 0.226 637 G C 0.060 174.987 174.900 0.045 0.000 0.992 637 G CA -0.007 45.126 45.100 0.054 0.000 0.632 637 G HN 0.052 nan 8.290 nan 0.000 0.511 638 V N 1.875 121.827 119.914 0.062 0.000 2.644 638 V HA 0.221 4.345 4.120 0.006 0.000 0.305 638 V C 0.966 177.078 176.094 0.031 0.000 1.053 638 V CA 1.105 63.435 62.300 0.050 0.000 1.186 638 V CB 1.291 33.151 31.823 0.061 0.000 0.895 638 V HN 0.528 nan 8.190 nan 0.000 0.490 639 E N 5.260 125.485 120.200 0.041 0.000 2.105 639 E HA 0.382 4.736 4.350 0.006 0.000 0.285 639 E C -0.910 175.727 176.600 0.062 0.000 1.055 639 E CA -0.574 55.847 56.400 0.034 0.000 0.843 639 E CB 1.038 30.775 29.700 0.062 0.000 1.067 639 E HN 0.535 nan 8.360 nan 0.000 0.398 640 V N 4.719 124.636 119.914 0.004 0.000 2.539 640 V HA 0.225 4.348 4.120 0.006 0.000 0.292 640 V C 0.042 176.121 176.094 -0.025 0.000 1.045 640 V CA -0.696 61.629 62.300 0.042 0.000 0.945 640 V CB 1.474 33.307 31.823 0.016 0.000 0.993 640 V HN 0.712 nan 8.190 nan 0.000 0.464 641 H N 3.384 122.504 119.070 0.083 0.000 2.736 641 H HA 0.251 4.811 4.556 0.006 0.000 0.271 641 H C -1.273 174.148 175.328 0.155 0.000 1.184 641 H CA -0.403 55.701 56.048 0.095 0.000 1.378 641 H CB 0.952 30.752 29.762 0.063 0.000 1.428 641 H HN 0.681 nan 8.280 nan 0.000 0.500 642 Y N 3.467 123.803 120.300 0.060 0.000 2.377 642 Y HA 0.019 4.572 4.550 0.006 0.000 0.330 642 Y C 0.584 176.517 175.900 0.054 0.000 1.108 642 Y CA -0.241 57.888 58.100 0.048 0.000 1.308 642 Y CB 0.607 39.076 38.460 0.016 0.000 1.216 642 Y HN 0.532 nan 8.280 nan 0.000 0.518 643 L N 4.374 125.432 121.223 -0.275 0.000 2.357 643 L HA 0.356 4.700 4.340 0.006 0.000 0.211 643 L C 1.181 177.731 176.870 -0.534 0.000 1.075 643 L CA 0.652 55.318 54.840 -0.289 0.000 0.830 643 L CB -0.425 41.564 42.059 -0.117 0.000 0.996 643 L HN 0.920 nan 8.230 nan 0.000 0.467 644 G N 0.388 108.565 108.800 -1.037 0.000 2.362 644 G HA2 -0.132 3.832 3.960 0.006 0.000 0.517 644 G HA3 -0.132 3.832 3.960 0.006 0.000 0.517 644 G C -0.312 174.411 174.900 -0.295 0.000 1.256 644 G CA -0.344 44.288 45.100 -0.780 0.000 1.027 644 G HN 0.142 nan 8.290 nan 0.000 0.491 645 T N -2.579 111.904 114.554 -0.119 0.000 2.918 645 T HA 0.629 4.983 4.350 0.006 0.000 0.283 645 T C 1.028 175.712 174.700 -0.026 0.000 1.001 645 T CA 0.991 63.080 62.100 -0.019 0.000 1.041 645 T CB 1.456 70.333 68.868 0.016 0.000 1.028 645 T HN 2.295 nan 8.240 nan 0.000 0.511 646 S N -0.627 115.074 115.700 0.002 0.000 3.561 646 S HA -0.123 4.350 4.470 0.006 0.000 0.318 646 S C 0.266 174.864 174.600 -0.004 0.000 1.181 646 S CA 0.471 58.673 58.200 0.003 0.000 0.916 646 S CB -1.911 61.287 63.200 -0.004 0.000 0.966 646 S HN 0.846 nan 8.310 nan 0.000 0.550 647 V N 2.683 122.591 119.914 -0.009 0.000 2.470 647 V HA 0.215 4.339 4.120 0.006 0.000 0.276 647 V C -1.666 174.433 176.094 0.008 0.000 1.040 647 V CA -1.457 60.836 62.300 -0.012 0.000 1.008 647 V CB 0.561 32.369 31.823 -0.025 0.000 0.990 647 V HN 0.085 nan 8.190 nan 0.000 0.477 648 P HA 0.037 nan 4.420 nan 0.000 0.266 648 P C 1.059 178.371 177.300 0.020 0.000 1.195 648 P CA -0.011 63.098 63.100 0.014 0.000 0.768 648 P CB 0.563 32.269 31.700 0.009 0.000 0.838 649 V N 2.124 122.054 119.914 0.026 0.000 2.688 649 V HA -0.237 3.886 4.120 0.006 0.000 0.256 649 V C 2.080 178.191 176.094 0.027 0.000 1.084 649 V CA 2.081 64.400 62.300 0.032 0.000 1.103 649 V CB -1.163 30.682 31.823 0.036 0.000 0.688 649 V HN 0.686 nan 8.190 nan 0.000 0.480 650 E N 0.435 120.647 120.200 0.019 0.000 2.086 650 E HA -0.159 4.195 4.350 0.006 0.000 0.190 650 E C 2.268 178.874 176.600 0.011 0.000 0.975 650 E CA 0.616 57.025 56.400 0.014 0.000 0.813 650 E CB -0.067 29.639 29.700 0.009 0.000 0.768 650 E HN 0.503 nan 8.360 nan 0.000 0.457 651 K N 0.307 120.713 120.400 0.009 0.000 2.362 651 K HA -0.118 4.205 4.320 0.006 0.000 0.200 651 K C 1.976 178.580 176.600 0.008 0.000 1.046 651 K CA 0.419 56.708 56.287 0.004 0.000 0.952 651 K CB 0.054 32.553 32.500 -0.002 0.000 0.753 651 K HN 0.148 nan 8.250 nan 0.000 0.466 652 L N 0.167 121.400 121.223 0.017 0.000 2.209 652 L HA -0.062 4.282 4.340 0.006 0.000 0.207 652 L C 1.457 178.343 176.870 0.027 0.000 1.094 652 L CA 1.098 55.955 54.840 0.027 0.000 0.790 652 L CB 0.312 42.396 42.059 0.043 0.000 0.932 652 L HN -0.040 nan 8.230 nan 0.000 0.447 653 V N -3.271 116.656 119.914 0.022 0.000 3.623 653 V HA 0.080 4.203 4.120 0.006 0.000 0.271 653 V C 1.425 177.523 176.094 0.006 0.000 1.248 653 V CA 0.641 62.951 62.300 0.017 0.000 1.156 653 V CB -0.735 31.097 31.823 0.015 0.000 0.870 653 V HN 0.256 nan 8.190 nan 0.000 0.453 654 D N 1.554 121.956 120.400 0.003 0.000 2.305 654 D HA 0.189 4.833 4.640 0.006 0.000 0.206 654 D C 2.002 178.296 176.300 -0.010 0.000 0.974 654 D CA 1.344 55.342 54.000 -0.003 0.000 0.871 654 D CB 0.505 41.303 40.800 -0.003 0.000 0.947 654 D HN 0.529 nan 8.370 nan 0.000 0.516 655 A N 0.168 122.982 122.820 -0.010 0.000 2.252 655 A HA 0.421 4.745 4.320 0.006 0.000 0.213 655 A C 1.994 179.555 177.584 -0.038 0.000 1.188 655 A CA 0.693 52.715 52.037 -0.026 0.000 0.863 655 A CB 0.183 19.173 19.000 -0.017 0.000 0.893 655 A HN 0.124 nan 8.150 nan 0.000 0.495 656 A N -0.099 122.712 122.820 -0.014 0.000 2.119 656 A HA 0.206 4.530 4.320 0.006 0.000 0.216 656 A C 1.816 179.389 177.584 -0.017 0.000 1.152 656 A CA 0.872 52.903 52.037 -0.010 0.000 0.708 656 A CB -0.348 18.660 19.000 0.014 0.000 0.805 656 A HN 0.472 nan 8.150 nan 0.000 0.460 657 I N -0.820 119.739 120.570 -0.018 0.000 2.490 657 I HA 0.016 4.189 4.170 0.006 0.000 0.234 657 I C 2.999 179.098 176.117 -0.029 0.000 1.066 657 I CA 0.940 62.229 61.300 -0.019 0.000 1.405 657 I CB -0.876 37.116 38.000 -0.013 0.000 1.191 657 I HN 0.393 nan 8.210 nan 0.000 0.433 658 E N 1.684 121.866 120.200 -0.031 0.000 2.086 658 E HA -0.233 4.121 4.350 0.006 0.000 0.205 658 E C 1.894 178.459 176.600 -0.057 0.000 1.027 658 E CA 1.989 58.368 56.400 -0.036 0.000 0.830 658 E CB -1.283 28.399 29.700 -0.030 0.000 0.751 658 E HN 0.537 nan 8.360 nan 0.000 0.456 659 L N 0.584 121.750 121.223 -0.096 0.000 2.612 659 L HA 0.086 4.429 4.340 0.006 0.000 0.230 659 L C 0.783 177.577 176.870 -0.126 0.000 1.140 659 L CA 0.491 55.233 54.840 -0.163 0.000 0.896 659 L CB -0.183 41.665 42.059 -0.352 0.000 1.065 659 L HN 0.438 nan 8.230 nan 0.000 0.447 660 K N -0.204 120.153 120.400 -0.072 0.000 3.356 660 K HA -0.229 4.095 4.320 0.006 0.000 0.270 660 K C 0.098 176.676 176.600 -0.038 0.000 0.901 660 K CA 0.529 56.791 56.287 -0.043 0.000 0.688 660 K CB -1.936 30.548 32.500 -0.028 0.000 1.460 660 K HN 0.218 nan 8.250 nan 0.000 0.458 661 A N 1.043 123.837 122.820 -0.043 0.000 2.386 661 A HA 0.093 4.417 4.320 0.006 0.000 0.248 661 A C 1.075 178.663 177.584 0.007 0.000 1.082 661 A CA 0.014 52.040 52.037 -0.019 0.000 0.789 661 A CB 0.351 19.344 19.000 -0.011 0.000 1.025 661 A HN 0.452 nan 8.150 nan 0.000 0.490 662 D N 0.081 120.491 120.400 0.017 0.000 2.224 662 D HA 0.185 4.829 4.640 0.006 0.000 0.205 662 D C 0.707 177.021 176.300 0.024 0.000 0.965 662 D CA 1.857 55.866 54.000 0.014 0.000 0.852 662 D CB 0.226 41.029 40.800 0.005 0.000 0.947 662 D HN 0.693 nan 8.370 nan 0.000 0.494 663 A N -0.120 122.727 122.820 0.046 0.000 2.609 663 A HA 0.636 4.960 4.320 0.006 0.000 0.291 663 A C -1.377 176.270 177.584 0.105 0.000 1.096 663 A CA -0.587 51.498 52.037 0.080 0.000 0.684 663 A CB 1.453 20.500 19.000 0.078 0.000 1.282 663 A HN -0.001 nan 8.150 nan 0.000 0.412 664 I N 1.105 121.759 120.570 0.140 0.000 2.406 664 I HA 0.402 4.576 4.170 0.006 0.000 0.290 664 I C -1.140 175.083 176.117 0.176 0.000 0.999 664 I CA -0.391 60.992 61.300 0.138 0.000 1.124 664 I CB 1.554 39.625 38.000 0.118 0.000 1.289 664 I HN 0.453 nan 8.210 nan 0.000 0.441 665 L N 6.320 127.639 121.223 0.161 0.000 2.333 665 L HA 0.779 5.122 4.340 0.006 0.000 0.280 665 L C -0.281 176.675 176.870 0.145 0.000 1.004 665 L CA -0.560 54.380 54.840 0.166 0.000 0.820 665 L CB 1.875 44.025 42.059 0.152 0.000 1.247 665 L HN 0.634 nan 8.230 nan 0.000 0.416 666 A N 2.175 125.077 122.820 0.136 0.000 2.359 666 A HA 0.630 4.954 4.320 0.006 0.000 0.303 666 A C -0.519 177.129 177.584 0.108 0.000 1.066 666 A CA -0.422 51.686 52.037 0.119 0.000 0.730 666 A CB 1.934 20.996 19.000 0.104 0.000 1.211 666 A HN 0.550 nan 8.150 nan 0.000 0.439 667 S N 0.809 116.573 115.700 0.106 0.000 2.586 667 S HA 0.659 5.133 4.470 0.006 0.000 0.274 667 S C 0.010 174.652 174.600 0.070 0.000 1.281 667 S CA 0.130 58.382 58.200 0.088 0.000 1.035 667 S CB 0.827 64.087 63.200 0.099 0.000 0.962 667 S HN 0.999 nan 8.310 nan 0.000 0.512 668 T N 5.616 120.193 114.554 0.039 0.000 3.233 668 T HA 0.345 4.699 4.350 0.006 0.000 0.324 668 T C 0.435 175.109 174.700 -0.044 0.000 0.992 668 T CA -0.577 61.535 62.100 0.020 0.000 1.414 668 T CB -0.356 68.528 68.868 0.027 0.000 0.935 668 T HN 0.479 nan 8.240 nan 0.000 0.544 669 I N 2.511 123.057 120.570 -0.040 0.000 2.731 669 I HA 0.324 4.498 4.170 0.006 0.000 0.235 669 I C 1.486 177.484 176.117 -0.199 0.000 1.064 669 I CA 0.195 61.411 61.300 -0.140 0.000 1.439 669 I CB -0.790 37.117 38.000 -0.155 0.000 1.255 669 I HN 0.551 nan 8.210 nan 0.000 0.446 670 I N 2.116 122.606 120.570 -0.132 0.000 3.017 670 I HA -0.199 3.975 4.170 0.006 0.000 0.310 670 I C 0.971 177.065 176.117 -0.039 0.000 1.220 670 I CA 1.012 62.275 61.300 -0.062 0.000 1.450 670 I CB 0.183 38.218 38.000 0.059 0.000 1.317 670 I HN 0.437 nan 8.210 nan 0.000 0.570 671 S N 2.060 117.756 115.700 -0.007 0.000 2.927 671 S HA 0.063 4.536 4.470 0.006 0.000 0.246 671 S C -0.100 174.592 174.600 0.153 0.000 0.907 671 S CA -0.649 57.585 58.200 0.057 0.000 1.326 671 S CB -0.441 62.502 63.200 -0.429 0.000 1.216 671 S HN 0.724 nan 8.310 nan 0.000 0.652 672 H N 2.754 121.858 119.070 0.057 0.000 2.929 672 H HA 0.369 4.929 4.556 0.006 0.000 0.317 672 H C 0.007 175.380 175.328 0.076 0.000 1.031 672 H CA 1.822 57.904 56.048 0.057 0.000 1.466 672 H CB 0.244 30.027 29.762 0.035 0.000 1.482 672 H HN 0.286 nan 8.280 nan 0.000 0.561 673 D N 3.861 124.154 120.400 -0.179 0.000 2.746 673 D HA -0.228 4.416 4.640 0.006 0.000 0.241 673 D C -0.450 175.867 176.300 0.028 0.000 1.140 673 D CA 1.281 55.246 54.000 -0.059 0.000 0.707 673 D CB -1.386 39.420 40.800 0.010 0.000 1.034 673 D HN 0.918 nan 8.370 nan 0.000 0.423 674 D N -0.799 119.643 120.400 0.069 0.000 2.713 674 D HA -0.252 4.392 4.640 0.006 0.000 0.231 674 D C 1.261 177.539 176.300 -0.037 0.000 1.173 674 D CA 0.918 54.927 54.000 0.015 0.000 0.628 674 D CB -0.753 40.036 40.800 -0.018 0.000 1.033 674 D HN 0.593 nan 8.370 nan 0.000 0.419 675 I N -0.499 120.116 120.570 0.075 0.000 3.111 675 I HA -0.125 4.049 4.170 0.006 0.000 0.272 675 I C 1.968 178.113 176.117 0.046 0.000 1.268 675 I CA 1.187 62.523 61.300 0.059 0.000 1.467 675 I CB -0.065 37.991 38.000 0.093 0.000 1.087 675 I HN 0.379 nan 8.210 nan 0.000 0.467 676 H N -1.358 117.698 119.070 -0.022 0.000 2.384 676 H HA -0.058 4.502 4.556 0.006 0.000 0.300 676 H C 1.482 176.743 175.328 -0.111 0.000 1.057 676 H CA 1.316 57.304 56.048 -0.100 0.000 1.370 676 H CB -1.182 28.457 29.762 -0.205 0.000 1.417 676 H HN 0.339 nan 8.280 nan 0.000 0.527 677 Y N 1.863 121.817 120.300 -0.576 0.000 2.439 677 Y HA 0.029 4.582 4.550 0.006 0.000 0.292 677 Y C 2.594 178.404 175.900 -0.151 0.000 1.130 677 Y CA 0.502 58.416 58.100 -0.310 0.000 1.254 677 Y CB 0.054 38.290 38.460 -0.373 0.000 1.000 677 Y HN 0.145 nan 8.280 nan 0.000 0.554 678 K N -0.109 120.290 120.400 -0.001 0.000 2.025 678 K HA -0.155 4.169 4.320 0.006 0.000 0.207 678 K C 1.485 178.107 176.600 0.037 0.000 1.049 678 K CA 1.414 57.712 56.287 0.019 0.000 0.933 678 K CB -0.197 32.309 32.500 0.010 0.000 0.714 678 K HN 0.242 nan 8.250 nan 0.000 0.438 679 N N 0.754 119.475 118.700 0.036 0.000 2.453 679 N HA -0.040 4.704 4.740 0.006 0.000 0.183 679 N C 1.569 177.116 175.510 0.062 0.000 1.041 679 N CA 0.838 53.917 53.050 0.048 0.000 0.900 679 N CB -0.023 38.494 38.487 0.050 0.000 0.961 679 N HN 0.202 nan 8.380 nan 0.000 0.443 680 M N -0.146 119.495 119.600 0.067 0.000 2.229 680 M HA -0.094 4.389 4.480 0.006 0.000 0.264 680 M C 1.981 178.339 176.300 0.098 0.000 1.063 680 M CA 1.240 56.590 55.300 0.084 0.000 1.114 680 M CB -0.022 32.639 32.600 0.102 0.000 1.387 680 M HN 0.029 nan 8.290 nan 0.000 0.420 681 K N 0.013 120.467 120.400 0.091 0.000 2.211 681 K HA -0.000 4.324 4.320 0.006 0.000 0.201 681 K C 1.947 178.621 176.600 0.124 0.000 1.052 681 K CA 0.439 56.797 56.287 0.117 0.000 0.973 681 K CB 0.222 32.769 32.500 0.077 0.000 0.766 681 K HN 0.103 nan 8.250 nan 0.000 0.466 682 R N 0.333 120.882 120.500 0.081 0.000 2.170 682 R HA -0.085 4.258 4.340 0.006 0.000 0.242 682 R C 2.015 178.351 176.300 0.060 0.000 1.145 682 R CA 1.287 57.424 56.100 0.061 0.000 0.984 682 R CB -0.060 30.268 30.300 0.047 0.000 0.869 682 R HN 0.274 nan 8.270 nan 0.000 0.455 683 I N -1.041 119.578 120.570 0.082 0.000 3.462 683 I HA -0.124 4.050 4.170 0.006 0.000 0.290 683 I C 1.949 178.121 176.117 0.093 0.000 1.236 683 I CA 0.399 61.745 61.300 0.076 0.000 1.418 683 I CB 0.122 38.172 38.000 0.082 0.000 1.102 683 I HN 0.172 nan 8.210 nan 0.000 0.441 684 H N 0.740 119.831 119.070 0.036 0.000 2.395 684 H HA -0.061 4.499 4.556 0.006 0.000 0.299 684 H C 1.899 177.243 175.328 0.027 0.000 1.070 684 H CA 1.809 57.878 56.048 0.034 0.000 1.356 684 H CB 0.183 29.964 29.762 0.031 0.000 1.401 684 H HN 0.299 nan 8.280 nan 0.000 0.524 685 E N 0.122 120.261 120.200 -0.102 0.000 2.112 685 E HA -0.044 4.310 4.350 0.006 0.000 0.190 685 E C 2.075 178.610 176.600 -0.109 0.000 0.979 685 E CA 0.678 56.989 56.400 -0.149 0.000 0.814 685 E CB 0.124 29.819 29.700 -0.007 0.000 0.762 685 E HN 0.469 nan 8.360 nan 0.000 0.460 686 L N 0.484 121.675 121.223 -0.052 0.000 2.362 686 L HA -0.108 4.235 4.340 0.006 0.000 0.219 686 L C 2.335 179.174 176.870 -0.052 0.000 1.134 686 L CA 0.484 55.302 54.840 -0.036 0.000 0.807 686 L CB -0.242 41.813 42.059 -0.007 0.000 0.927 686 L HN 0.158 nan 8.230 nan 0.000 0.447 687 A N -0.552 122.217 122.820 -0.085 0.000 1.898 687 A HA -0.062 4.262 4.320 0.006 0.000 0.214 687 A C 2.153 179.672 177.584 -0.109 0.000 1.183 687 A CA 1.130 53.120 52.037 -0.078 0.000 0.622 687 A CB -0.348 18.617 19.000 -0.058 0.000 0.824 687 A HN 0.188 nan 8.150 nan 0.000 0.444 688 V N -0.098 119.698 119.914 -0.196 0.000 2.649 688 V HA -0.119 4.005 4.120 0.006 0.000 0.248 688 V C 2.273 178.314 176.094 -0.089 0.000 1.054 688 V CA 1.632 63.839 62.300 -0.155 0.000 1.073 688 V CB -0.597 31.092 31.823 -0.224 0.000 0.699 688 V HN 0.709 nan 8.190 nan 0.000 0.463 689 E N 0.412 120.562 120.200 -0.084 0.000 2.268 689 E HA -0.207 4.147 4.350 0.006 0.000 0.195 689 E C 1.888 178.467 176.600 -0.034 0.000 0.995 689 E CA 0.726 57.097 56.400 -0.049 0.000 0.836 689 E CB 0.153 29.828 29.700 -0.041 0.000 0.763 689 E HN 0.298 nan 8.360 nan 0.000 0.491 690 K N -0.615 119.764 120.400 -0.035 0.000 2.373 690 K HA 0.062 4.386 4.320 0.006 0.000 0.202 690 K C 0.512 177.100 176.600 -0.020 0.000 1.025 690 K CA 0.573 56.847 56.287 -0.023 0.000 1.115 690 K CB 0.734 33.223 32.500 -0.018 0.000 0.858 690 K HN 0.260 nan 8.250 nan 0.000 0.525 691 G N 2.311 111.096 108.800 -0.026 0.000 2.153 691 G HA2 -0.252 3.712 3.960 0.006 0.000 0.252 691 G HA3 -0.252 3.712 3.960 0.006 0.000 0.252 691 G C 0.526 175.419 174.900 -0.012 0.000 0.994 691 G CA 0.653 45.742 45.100 -0.018 0.000 0.698 691 G HN 0.501 nan 8.290 nan 0.000 0.521 692 I N -2.860 117.702 120.570 -0.014 0.000 3.927 692 I HA 0.540 4.713 4.170 0.006 0.000 0.332 692 I C 1.800 177.919 176.117 0.004 0.000 1.485 692 I CA 0.026 61.324 61.300 -0.003 0.000 1.131 692 I CB 0.316 38.315 38.000 -0.001 0.000 1.092 692 I HN 0.031 nan 8.210 nan 0.000 0.410 693 R N 2.925 123.423 120.500 -0.004 0.000 2.093 693 R HA -0.121 4.222 4.340 0.006 0.000 0.224 693 R C 1.618 177.945 176.300 0.044 0.000 1.101 693 R CA 2.279 58.386 56.100 0.011 0.000 0.979 693 R CB -0.407 29.873 30.300 -0.033 0.000 0.877 693 R HN 0.625 nan 8.270 nan 0.000 0.441 694 D N -0.853 119.568 120.400 0.034 0.000 2.328 694 D HA -0.039 4.605 4.640 0.006 0.000 0.226 694 D C 1.006 177.326 176.300 0.034 0.000 1.066 694 D CA 0.290 54.315 54.000 0.042 0.000 0.861 694 D CB 0.232 41.053 40.800 0.035 0.000 0.912 694 D HN 0.259 nan 8.370 nan 0.000 0.521 695 K N -0.442 119.975 120.400 0.029 0.000 2.391 695 K HA 0.305 4.628 4.320 0.006 0.000 0.197 695 K C 0.590 177.206 176.600 0.026 0.000 1.087 695 K CA -0.186 56.115 56.287 0.022 0.000 1.012 695 K CB 0.831 33.339 32.500 0.014 0.000 0.925 695 K HN 0.056 nan 8.250 nan 0.000 0.547 696 I N 0.166 120.759 120.570 0.039 0.000 3.217 696 I HA 0.383 4.556 4.170 0.006 0.000 0.308 696 I C -0.810 175.352 176.117 0.074 0.000 1.091 696 I CA -1.221 60.109 61.300 0.049 0.000 1.013 696 I CB 1.564 39.595 38.000 0.051 0.000 1.250 696 I HN -0.041 nan 8.210 nan 0.000 0.496 697 M N 3.574 123.231 119.600 0.095 0.000 2.591 697 M HA 0.534 5.018 4.480 0.006 0.000 0.306 697 M C -1.432 174.999 176.300 0.218 0.000 1.190 697 M CA -0.545 54.851 55.300 0.160 0.000 0.889 697 M CB 2.417 35.085 32.600 0.113 0.000 1.728 697 M HN 0.239 nan 8.290 nan 0.000 0.458 698 I N 1.223 121.966 120.570 0.289 0.000 2.531 698 I HA 0.474 4.648 4.170 0.006 0.000 0.283 698 I C -0.278 175.983 176.117 0.240 0.000 1.083 698 I CA -0.543 60.904 61.300 0.245 0.000 1.071 698 I CB 1.881 39.988 38.000 0.179 0.000 1.210 698 I HN 0.801 nan 8.210 nan 0.000 0.450 699 G N 4.441 113.406 108.800 0.275 0.000 2.415 699 G HA2 0.648 4.612 3.960 0.006 0.000 0.327 699 G HA3 0.648 4.612 3.960 0.006 0.000 0.327 699 G C -1.088 173.913 174.900 0.168 0.000 1.182 699 G CA -0.334 44.839 45.100 0.123 0.000 0.924 699 G HN 0.598 nan 8.290 nan 0.000 0.470 700 C N 0.485 119.852 119.300 0.113 0.000 2.563 700 C HA 0.997 5.461 4.460 0.006 0.000 0.314 700 C C 0.610 175.693 174.990 0.154 0.000 1.199 700 C CA -0.310 58.784 59.018 0.126 0.000 1.564 700 C CB 1.385 29.170 27.740 0.076 0.000 2.173 700 C HN 1.070 nan 8.230 nan 0.000 0.485 701 G N 0.491 109.379 108.800 0.147 0.000 2.690 701 G HA2 0.872 4.835 3.960 0.006 0.000 0.293 701 G HA3 0.872 4.835 3.960 0.006 0.000 0.293 701 G C -0.913 174.021 174.900 0.057 0.000 1.399 701 G CA -0.017 45.167 45.100 0.139 0.000 0.890 701 G HN 1.335 nan 8.290 nan 0.000 0.485 702 G N -1.400 107.411 108.800 0.019 0.000 2.368 702 G HA2 0.484 4.448 3.960 0.006 0.000 0.293 702 G HA3 0.484 4.448 3.960 0.006 0.000 0.293 702 G C 0.564 175.422 174.900 -0.071 0.000 1.467 702 G CA 0.566 45.641 45.100 -0.041 0.000 0.804 702 G HN 0.832 nan 8.290 nan 0.000 0.535 703 T N 0.392 114.883 114.554 -0.104 0.000 2.803 703 T HA -0.076 4.278 4.350 0.006 0.000 0.269 703 T C 1.034 175.660 174.700 -0.124 0.000 1.052 703 T CA 1.372 63.412 62.100 -0.100 0.000 1.136 703 T CB -0.044 68.754 68.868 -0.117 0.000 0.864 703 T HN 0.336 nan 8.240 nan 0.000 0.467 704 Q N 1.176 120.843 119.800 -0.221 0.000 2.715 704 Q HA 0.440 4.784 4.340 0.006 0.000 0.399 704 Q C -1.148 174.737 176.000 -0.191 0.000 1.017 704 Q CA -0.062 55.591 55.803 -0.250 0.000 1.077 704 Q CB 0.806 29.248 28.738 -0.492 0.000 1.350 704 Q HN 0.253 nan 8.270 nan 0.000 0.421 705 V N 0.989 120.865 119.914 -0.063 0.000 2.524 705 V HA 0.390 4.514 4.120 0.006 0.000 0.297 705 V C -0.190 175.961 176.094 0.094 0.000 1.035 705 V CA -0.593 61.716 62.300 0.016 0.000 0.867 705 V CB 2.143 33.946 31.823 -0.034 0.000 1.004 705 V HN 0.240 nan 8.190 nan 0.000 0.426 706 T N 6.685 121.360 114.554 0.202 0.000 2.767 706 T HA 0.299 4.652 4.350 0.006 0.000 0.284 706 T C -1.797 172.921 174.700 0.029 0.000 0.973 706 T CA -1.413 60.738 62.100 0.086 0.000 0.996 706 T CB 1.872 70.784 68.868 0.073 0.000 0.927 706 T HN 0.363 nan 8.240 nan 0.000 0.456 707 P HA -0.204 nan 4.420 nan 0.000 0.217 707 P C 1.361 178.596 177.300 -0.109 0.000 1.162 707 P CA 1.268 64.278 63.100 -0.149 0.000 0.901 707 P CB 0.277 31.861 31.700 -0.193 0.000 0.793 708 E N -0.854 119.295 120.200 -0.085 0.000 2.033 708 E HA -0.154 4.200 4.350 0.006 0.000 0.199 708 E C 1.943 178.487 176.600 -0.094 0.000 1.011 708 E CA 1.515 57.863 56.400 -0.086 0.000 0.815 708 E CB -1.000 28.655 29.700 -0.075 0.000 0.755 708 E HN -0.008 nan 8.360 nan 0.000 0.451 709 V N 0.775 120.630 119.914 -0.098 0.000 2.594 709 V HA -0.256 3.868 4.120 0.006 0.000 0.253 709 V C 2.052 178.052 176.094 -0.157 0.000 1.069 709 V CA 1.662 63.829 62.300 -0.221 0.000 1.082 709 V CB -0.816 30.761 31.823 -0.409 0.000 0.680 709 V HN 0.345 nan 8.190 nan 0.000 0.469 710 A N -0.119 122.723 122.820 0.037 0.000 1.898 710 A HA -0.045 4.279 4.320 0.006 0.000 0.214 710 A C 2.217 179.780 177.584 -0.034 0.000 1.183 710 A CA 1.378 53.471 52.037 0.094 0.000 0.622 710 A CB -0.461 18.588 19.000 0.081 0.000 0.824 710 A HN 0.342 nan 8.150 nan 0.000 0.444 711 V N 0.430 120.293 119.914 -0.085 0.000 3.078 711 V HA -0.159 3.964 4.120 0.006 0.000 0.265 711 V C 2.048 178.076 176.094 -0.109 0.000 1.122 711 V CA 1.788 64.025 62.300 -0.105 0.000 1.141 711 V CB -0.716 31.040 31.823 -0.112 0.000 0.735 711 V HN 0.490 nan 8.190 nan 0.000 0.498 712 K N -0.325 120.007 120.400 -0.113 0.000 2.365 712 K HA -0.014 4.310 4.320 0.006 0.000 0.197 712 K C 1.958 178.480 176.600 -0.130 0.000 1.042 712 K CA 0.423 56.637 56.287 -0.121 0.000 0.987 712 K CB 0.036 32.456 32.500 -0.134 0.000 0.779 712 K HN 0.454 nan 8.250 nan 0.000 0.484 713 Q N -0.456 119.272 119.800 -0.119 0.000 2.472 713 Q HA 0.013 4.356 4.340 0.006 0.000 0.208 713 Q C 0.919 176.786 176.000 -0.221 0.000 0.958 713 Q CA 0.951 56.691 55.803 -0.105 0.000 0.932 713 Q CB 0.844 29.572 28.738 -0.017 0.000 1.007 713 Q HN 0.511 nan 8.270 nan 0.000 0.508 714 G N 0.856 109.467 108.800 -0.314 0.000 2.135 714 G HA2 -0.219 3.745 3.960 0.006 0.000 0.183 714 G HA3 -0.219 3.745 3.960 0.006 0.000 0.183 714 G C 0.198 174.830 174.900 -0.447 0.000 1.004 714 G CA 0.184 44.883 45.100 -0.669 0.000 0.677 714 G HN 0.288 nan 8.290 nan 0.000 0.512 715 V N -3.091 116.724 119.914 -0.164 0.000 2.975 715 V HA 0.832 4.956 4.120 0.006 0.000 0.318 715 V C 1.140 177.218 176.094 -0.027 0.000 1.077 715 V CA 0.061 62.344 62.300 -0.028 0.000 1.000 715 V CB 1.605 33.435 31.823 0.012 0.000 1.066 715 V HN -0.075 nan 8.190 nan 0.000 0.452 716 D N 1.387 121.809 120.400 0.036 0.000 2.097 716 D HA 0.293 4.937 4.640 0.006 0.000 0.197 716 D C 0.738 176.969 176.300 -0.115 0.000 0.984 716 D CA 2.254 56.294 54.000 0.067 0.000 0.826 716 D CB 0.044 41.038 40.800 0.324 0.000 0.973 716 D HN 1.046 nan 8.370 nan 0.000 0.460 717 A N -1.208 121.403 122.820 -0.349 0.000 2.568 717 A HA 0.732 5.055 4.320 0.006 0.000 0.291 717 A C -0.622 176.608 177.584 -0.589 0.000 1.159 717 A CA -0.179 51.505 52.037 -0.589 0.000 0.679 717 A CB 1.558 19.945 19.000 -1.022 0.000 1.285 717 A HN 0.152 nan 8.150 nan 0.000 0.428 718 G N -0.996 107.336 108.800 -0.779 0.000 2.667 718 G HA2 0.673 4.637 3.960 0.006 0.000 0.298 718 G HA3 0.673 4.637 3.960 0.006 0.000 0.298 718 G C -1.773 172.632 174.900 -0.826 0.000 1.377 718 G CA -0.420 44.348 45.100 -0.553 0.000 0.964 718 G HN 0.552 nan 8.290 nan 0.000 0.493 719 F N 0.906 120.818 119.950 -0.063 0.000 2.536 719 F HA 0.659 5.190 4.527 0.006 0.000 0.322 719 F C 0.794 176.581 175.800 -0.021 0.000 1.144 719 F CA -0.429 57.548 58.000 -0.038 0.000 0.924 719 F CB 2.448 41.443 39.000 -0.010 0.000 1.181 719 F HN 0.746 nan 8.300 nan 0.000 0.438 720 G N 1.979 110.848 108.800 0.115 0.000 2.940 720 G HA2 0.427 4.391 3.960 0.006 0.000 0.164 720 G HA3 0.427 4.391 3.960 0.006 0.000 0.164 720 G C -0.257 174.683 174.900 0.067 0.000 1.326 720 G CA -1.015 44.122 45.100 0.061 0.000 1.020 720 G HN 0.433 nan 8.290 nan 0.000 0.586 721 R N -0.292 120.228 120.500 0.034 0.000 2.678 721 R HA 0.222 4.566 4.340 0.006 0.000 0.264 721 R C 1.273 177.605 176.300 0.054 0.000 0.995 721 R CA 1.195 57.313 56.100 0.031 0.000 1.098 721 R CB -0.116 30.192 30.300 0.013 0.000 0.949 721 R HN 1.148 nan 8.270 nan 0.000 0.422 722 G N 1.967 110.798 108.800 0.052 0.000 2.321 722 G HA2 -0.308 3.655 3.960 0.006 0.000 0.287 722 G HA3 -0.308 3.655 3.960 0.006 0.000 0.287 722 G C -0.089 174.897 174.900 0.143 0.000 1.018 722 G CA 0.626 45.768 45.100 0.070 0.000 0.855 722 G HN 0.527 nan 8.290 nan 0.000 0.507 723 S N -0.220 115.578 115.700 0.163 0.000 2.580 723 S HA 0.552 5.025 4.470 0.006 0.000 0.274 723 S C 0.631 175.337 174.600 0.176 0.000 1.329 723 S CA -0.108 58.268 58.200 0.294 0.000 1.036 723 S CB 1.495 64.837 63.200 0.237 0.000 0.919 723 S HN 0.500 nan 8.310 nan 0.000 0.515 724 K N 0.392 120.863 120.400 0.119 0.000 2.352 724 K HA 0.441 4.765 4.320 0.006 0.000 0.240 724 K C 1.315 177.814 176.600 -0.168 0.000 1.017 724 K CA -0.843 55.367 56.287 -0.129 0.000 0.851 724 K CB 1.132 33.494 32.500 -0.229 0.000 1.261 724 K HN 0.654 nan 8.250 nan 0.000 0.451 725 G N 0.606 109.344 108.800 -0.102 0.000 2.509 725 G HA2 -0.164 3.800 3.960 0.006 0.000 0.218 725 G HA3 -0.164 3.800 3.960 0.006 0.000 0.218 725 G C 1.229 176.173 174.900 0.073 0.000 1.124 725 G CA 0.490 45.566 45.100 -0.040 0.000 0.776 725 G HN 0.509 nan 8.290 nan 0.000 0.547 726 I N 0.159 120.740 120.570 0.017 0.000 2.202 726 I HA -0.067 4.106 4.170 0.006 0.000 0.242 726 I C 2.539 178.650 176.117 -0.011 0.000 1.091 726 I CA 1.531 62.859 61.300 0.047 0.000 1.368 726 I CB -0.194 37.773 38.000 -0.055 0.000 1.058 726 I HN 0.338 nan 8.210 nan 0.000 0.410 727 H N -0.940 118.170 119.070 0.067 0.000 2.270 727 H HA -0.146 4.414 4.556 0.006 0.000 0.299 727 H C 2.250 177.640 175.328 0.102 0.000 1.077 727 H CA 1.804 57.919 56.048 0.110 0.000 1.294 727 H CB -0.538 29.317 29.762 0.154 0.000 1.371 727 H HN 0.195 nan 8.280 nan 0.000 0.491 728 V N 1.156 121.023 119.914 -0.078 0.000 2.324 728 V HA -0.322 3.802 4.120 0.006 0.000 0.250 728 V C 2.636 178.838 176.094 0.180 0.000 1.060 728 V CA 1.775 64.027 62.300 -0.079 0.000 1.042 728 V CB -1.026 30.644 31.823 -0.255 0.000 0.650 728 V HN 0.592 nan 8.190 nan 0.000 0.450 729 A N -0.609 122.270 122.820 0.097 0.000 1.897 729 A HA -0.180 4.144 4.320 0.006 0.000 0.215 729 A C 2.400 179.986 177.584 0.003 0.000 1.181 729 A CA 2.266 54.332 52.037 0.047 0.000 0.620 729 A CB -0.913 18.123 19.000 0.061 0.000 0.821 729 A HN 0.475 nan 8.150 nan 0.000 0.443 730 T N -0.361 114.227 114.554 0.056 0.000 2.652 730 T HA -0.164 4.190 4.350 0.006 0.000 0.267 730 T C 1.604 176.385 174.700 0.136 0.000 1.039 730 T CA 1.806 63.952 62.100 0.075 0.000 1.153 730 T CB -0.461 68.486 68.868 0.131 0.000 0.863 730 T HN 0.607 nan 8.240 nan 0.000 0.428 731 F N 1.464 121.503 119.950 0.149 0.000 2.202 731 F HA -0.033 4.497 4.527 0.006 0.000 0.301 731 F C 1.748 177.623 175.800 0.125 0.000 1.082 731 F CA 1.085 59.193 58.000 0.180 0.000 1.313 731 F CB -0.560 38.660 39.000 0.367 0.000 1.024 731 F HN 0.106 nan 8.300 nan 0.000 0.495 732 L N 0.131 121.056 121.223 -0.497 0.000 2.095 732 L HA -0.094 4.250 4.340 0.006 0.000 0.204 732 L C 2.631 179.323 176.870 -0.296 0.000 1.080 732 L CA 1.115 55.600 54.840 -0.593 0.000 0.759 732 L CB -0.677 41.203 42.059 -0.299 0.000 0.914 732 L HN 0.245 nan 8.230 nan 0.000 0.439 733 V N -3.334 116.483 119.914 -0.161 0.000 2.667 733 V HA -0.147 3.977 4.120 0.006 0.000 0.252 733 V C 2.200 178.245 176.094 -0.082 0.000 1.065 733 V CA 1.180 63.418 62.300 -0.103 0.000 1.083 733 V CB -0.610 31.165 31.823 -0.081 0.000 0.692 733 V HN 0.357 nan 8.190 nan 0.000 0.468 734 K N 0.873 121.230 120.400 -0.073 0.000 2.044 734 K HA -0.042 4.282 4.320 0.006 0.000 0.204 734 K C 2.278 178.857 176.600 -0.036 0.000 1.045 734 K CA 1.404 57.675 56.287 -0.027 0.000 0.951 734 K CB -0.237 32.282 32.500 0.031 0.000 0.738 734 K HN 0.366 nan 8.250 nan 0.000 0.443 735 K N 1.906 122.257 120.400 -0.080 0.000 2.097 735 K HA -0.143 4.181 4.320 0.006 0.000 0.206 735 K C 2.013 178.579 176.600 -0.057 0.000 1.049 735 K CA 1.279 57.538 56.287 -0.048 0.000 0.933 735 K CB -0.077 32.377 32.500 -0.077 0.000 0.717 735 K HN -0.042 nan 8.250 nan 0.000 0.442 736 R N 0.422 120.861 120.500 -0.102 0.000 2.189 736 R HA -0.066 4.277 4.340 0.006 0.000 0.223 736 R C 1.719 177.998 176.300 -0.035 0.000 1.092 736 R CA 1.251 57.311 56.100 -0.066 0.000 0.989 736 R CB -0.036 30.216 30.300 -0.080 0.000 0.876 736 R HN 0.199 nan 8.270 nan 0.000 0.457 737 R N 0.106 120.586 120.500 -0.032 0.000 2.075 737 R HA -0.041 4.303 4.340 0.006 0.000 0.226 737 R C 2.611 178.908 176.300 -0.005 0.000 1.114 737 R CA 1.341 57.431 56.100 -0.017 0.000 0.972 737 R CB -0.400 29.890 30.300 -0.016 0.000 0.869 737 R HN 0.375 nan 8.270 nan 0.000 0.437 738 E N 1.516 121.717 120.200 0.001 0.000 2.114 738 E HA -0.228 4.126 4.350 0.006 0.000 0.199 738 E C 1.809 178.416 176.600 0.011 0.000 1.008 738 E CA 2.012 58.419 56.400 0.012 0.000 0.810 738 E CB -0.760 28.955 29.700 0.026 0.000 0.739 738 E HN 0.393 nan 8.360 nan 0.000 0.456 739 M N -0.232 119.374 119.600 0.009 0.000 2.476 739 M HA 0.139 4.623 4.480 0.006 0.000 0.262 739 M C 2.153 178.456 176.300 0.006 0.000 1.079 739 M CA 0.878 56.185 55.300 0.011 0.000 1.104 739 M CB -0.336 32.270 32.600 0.011 0.000 1.409 739 M HN 0.421 nan 8.290 nan 0.000 0.467 740 R N 0.000 120.501 120.500 0.002 0.000 2.786 740 R HA 0.000 4.344 4.340 0.006 0.000 0.208 740 R CA 0.000 56.100 56.100 0.000 0.000 0.921 740 R CB 0.000 30.298 30.300 -0.003 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535